==== 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 25-JUL-06 2HT4 . 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) . 67903.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1284 73.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 18 1.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 339 19.4 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 . 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 . 1 0.1 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 . 127 7.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 163 9.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 573 32.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 35 2.0 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 3 3 1 2 5 0 2 0 2 0 2 1 2 3 0 2 4 2 2 0 0 0 2 0 0 0 4 RESIDUES PER ALPHA HELIX . 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 0 0 0 PARALLEL BRIDGES PER LADDER . 10 10 16 4 9 13 1 1 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 . 3 2 7 4 2 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 17 A R > 0 0 163 0, 0.0 4,-1.0 0, 0.0 5,-0.0 0.000 360.0 360.0 360.0 9.2 -50.8 12.8 55.9 2 18 A R H > + 0 0 70 2,-0.2 4,-2.0 3,-0.1 3,-0.4 0.909 360.0 49.3 -72.8 -49.5 -48.7 10.1 57.5 3 19 A R H > S+ 0 0 169 1,-0.3 4,-1.3 2,-0.2 5,-0.1 0.922 107.1 56.0 -53.3 -46.2 -51.9 8.1 58.1 4 20 A Q H > S+ 0 0 103 1,-0.2 4,-1.5 2,-0.2 -1,-0.3 0.887 106.3 50.7 -55.9 -37.2 -52.7 8.7 54.5 5 21 A L H X S+ 0 0 3 -4,-1.0 4,-3.0 -3,-0.4 5,-0.2 0.871 104.1 55.6 -70.4 -37.9 -49.3 7.1 53.6 6 22 A I H X S+ 0 0 17 -4,-2.0 4,-1.3 1,-0.2 -1,-0.2 0.797 106.7 54.5 -64.7 -24.1 -49.9 4.0 55.7 7 23 A R H < S+ 0 0 152 -4,-1.3 4,-0.2 -5,-0.2 -2,-0.2 0.916 112.8 39.8 -74.6 -44.7 -53.0 3.6 53.7 8 24 A Q H >< S+ 0 0 51 -4,-1.5 3,-0.6 2,-0.2 4,-0.3 0.837 111.4 56.6 -74.4 -37.9 -51.3 3.8 50.3 9 25 A L H >< S+ 0 0 5 -4,-3.0 3,-1.5 1,-0.2 -1,-0.2 0.940 107.8 47.3 -58.5 -50.8 -48.2 1.7 51.3 10 26 A L T 3< S+ 0 0 67 -4,-1.3 -1,-0.2 1,-0.3 -2,-0.2 0.597 115.5 49.6 -66.7 -10.8 -50.4 -1.3 52.4 11 27 A E T < S+ 0 0 65 -3,-0.6 -1,-0.3 -4,-0.2 3,-0.2 0.353 84.5 131.7-108.4 2.4 -52.3 -0.8 49.1 12 28 A R < + 0 0 27 -3,-1.5 -3,-0.1 -4,-0.3 3,-0.0 -0.131 60.4 18.8 -66.4 152.4 -49.3 -0.7 46.8 13 29 A D S S+ 0 0 36 1,-0.1 2,-0.3 857,-0.1 -1,-0.2 0.924 74.4 138.4 56.5 56.9 -48.9 -2.6 43.5 14 30 A K + 0 0 127 -3,-0.2 -1,-0.1 852,-0.0 3,-0.0 -0.626 22.7 173.5-129.8 74.0 -52.5 -3.5 42.9 15 31 A T - 0 0 8 -2,-0.3 5,-0.1 1,-0.1 850,-0.0 -0.706 43.2-101.4 -81.9 127.5 -53.0 -3.1 39.2 16 32 A P >> - 0 0 57 0, 0.0 4,-1.8 0, 0.0 3,-1.1 -0.216 20.0-128.4 -53.9 129.5 -56.5 -4.3 38.1 17 33 A L H 3> S+ 0 0 110 1,-0.3 4,-1.7 2,-0.2 5,-0.2 0.749 108.8 66.2 -49.9 -26.3 -56.5 -7.7 36.5 18 34 A A H 3> S+ 0 0 50 1,-0.2 4,-1.7 2,-0.2 -1,-0.3 0.959 104.4 40.7 -59.5 -51.2 -58.5 -6.0 33.7 19 35 A I H <> S+ 0 0 9 -3,-1.1 4,-1.4 1,-0.2 -2,-0.2 0.801 110.2 58.6 -71.8 -29.1 -55.6 -3.8 32.7 20 36 A L H X S+ 0 0 7 -4,-1.8 4,-1.2 2,-0.2 -1,-0.2 0.876 106.5 48.0 -67.9 -36.4 -53.1 -6.6 33.1 21 37 A F H X S+ 0 0 133 -4,-1.7 4,-1.6 1,-0.2 -2,-0.2 0.904 109.2 53.4 -68.0 -43.7 -54.9 -8.7 30.5 22 38 A M H X S+ 0 0 24 -4,-1.7 4,-2.7 1,-0.2 -1,-0.2 0.780 102.6 57.7 -63.5 -30.5 -55.2 -5.8 28.1 23 39 A A H X S+ 0 0 0 -4,-1.4 4,-3.1 2,-0.2 -1,-0.2 0.928 103.0 54.8 -64.4 -43.7 -51.4 -5.3 28.2 24 40 A A H X S+ 0 0 24 -4,-1.2 4,-2.1 1,-0.2 -2,-0.2 0.908 111.5 44.1 -52.4 -49.8 -50.9 -8.9 27.1 25 41 A V H X S+ 0 0 42 -4,-1.6 4,-2.8 2,-0.2 5,-0.2 0.961 112.2 51.3 -61.0 -54.9 -53.1 -8.2 24.1 26 42 A V H X S+ 0 0 0 -4,-2.7 4,-3.0 1,-0.2 5,-0.2 0.892 111.8 48.2 -49.6 -47.8 -51.4 -4.9 23.3 27 43 A G H X S+ 0 0 0 -4,-3.1 4,-2.2 2,-0.2 -1,-0.2 0.914 110.8 50.0 -60.0 -46.4 -48.0 -6.5 23.5 28 44 A T H X S+ 0 0 36 -4,-2.1 4,-2.7 -5,-0.2 -2,-0.2 0.926 115.0 44.2 -58.9 -50.7 -49.0 -9.4 21.2 29 45 A L H X S+ 0 0 65 -4,-2.8 4,-3.2 2,-0.2 5,-0.3 0.977 113.7 47.8 -56.4 -62.4 -50.4 -7.1 18.7 30 46 A V H X S+ 0 0 1 -4,-3.0 4,-2.1 1,-0.2 -1,-0.2 0.842 112.5 53.2 -50.1 -34.6 -47.6 -4.6 18.7 31 47 A G H X S+ 0 0 0 -4,-2.2 4,-2.4 -5,-0.2 -1,-0.2 0.976 111.6 41.8 -65.8 -54.8 -45.2 -7.5 18.4 32 48 A L H X S+ 0 0 81 -4,-2.7 4,-3.2 1,-0.2 5,-0.2 0.953 113.9 54.1 -54.6 -51.8 -46.9 -9.0 15.4 33 49 A A H X S+ 0 0 22 -4,-3.2 4,-2.5 1,-0.3 -1,-0.2 0.868 111.4 44.8 -48.9 -45.9 -47.2 -5.5 13.9 34 50 A A H X S+ 0 0 9 -4,-2.1 4,-2.0 -5,-0.3 -1,-0.3 0.820 111.1 52.8 -71.5 -34.7 -43.5 -4.9 14.3 35 51 A V H X S+ 0 0 5 -4,-2.4 4,-2.0 2,-0.2 -2,-0.2 0.939 112.2 46.0 -64.7 -45.6 -42.6 -8.3 13.0 36 52 A A H X S+ 0 0 48 -4,-3.2 4,-2.5 1,-0.2 -2,-0.2 0.925 111.5 50.3 -62.5 -47.8 -44.7 -7.6 9.9 37 53 A F H X S+ 0 0 5 -4,-2.5 4,-2.0 -5,-0.2 -1,-0.2 0.897 109.3 54.0 -56.2 -41.8 -43.3 -4.2 9.4 38 54 A D H X S+ 0 0 21 -4,-2.0 4,-1.1 1,-0.2 -1,-0.2 0.890 109.5 46.9 -58.1 -45.5 -39.8 -5.7 9.7 39 55 A K H X S+ 0 0 82 -4,-2.0 4,-2.6 2,-0.2 -2,-0.2 0.885 107.8 56.1 -67.1 -42.9 -40.5 -8.2 7.0 40 56 A G H X S+ 0 0 19 -4,-2.5 4,-2.6 1,-0.2 5,-0.3 0.941 105.8 49.6 -56.4 -51.6 -42.0 -5.6 4.6 41 57 A V H X S+ 0 0 1 -4,-2.0 4,-1.4 1,-0.2 -1,-0.2 0.811 110.8 51.4 -60.9 -30.0 -38.9 -3.5 4.7 42 58 A A H X S+ 0 0 52 -4,-1.1 4,-1.6 -5,-0.2 -1,-0.2 0.962 109.9 49.3 -68.3 -50.8 -36.8 -6.5 4.0 43 59 A W H X S+ 0 0 152 -4,-2.6 4,-2.6 1,-0.2 3,-0.4 0.923 112.7 45.6 -53.5 -54.7 -38.9 -7.5 1.0 44 60 A L H X S+ 0 0 30 -4,-2.6 4,-2.1 1,-0.2 -1,-0.2 0.828 112.2 51.4 -60.9 -33.7 -38.9 -4.0 -0.6 45 61 A Q H X S+ 0 0 49 -4,-1.4 4,-0.9 -5,-0.3 -1,-0.2 0.787 111.3 49.6 -74.0 -24.4 -35.2 -3.6 -0.1 46 62 A N H X S+ 0 0 97 -4,-1.6 4,-1.7 -3,-0.4 -2,-0.2 0.868 106.8 52.5 -80.8 -44.1 -34.7 -6.9 -1.7 47 63 A Q H >X S+ 0 0 82 -4,-2.6 4,-3.2 1,-0.2 3,-0.9 0.971 109.3 51.7 -55.4 -53.5 -36.9 -6.1 -4.7 48 64 A R H 3X S+ 0 0 32 -4,-2.1 4,-1.4 1,-0.3 -1,-0.2 0.863 111.4 46.4 -51.5 -38.1 -34.8 -3.0 -5.2 49 65 A M H 3< S+ 0 0 96 -4,-0.9 -1,-0.3 2,-0.2 -2,-0.2 0.699 113.2 51.4 -78.8 -19.4 -31.6 -5.2 -5.1 50 66 A G H XX S+ 0 0 41 -4,-1.7 3,-1.8 -3,-0.9 4,-1.1 0.929 108.0 48.1 -78.9 -48.1 -33.3 -7.6 -7.5 51 67 A A H 3< S+ 0 0 46 -4,-3.2 4,-0.4 1,-0.3 3,-0.3 0.846 103.3 65.6 -58.7 -35.9 -34.2 -5.0 -10.0 52 68 A L T 3< S+ 0 0 17 -4,-1.4 -1,-0.3 -5,-0.3 -2,-0.2 0.631 100.6 49.7 -61.9 -16.3 -30.7 -3.7 -9.8 53 69 A V T X4 S+ 0 0 107 -3,-1.8 3,-1.7 1,-0.2 -1,-0.2 0.783 99.0 63.9 -91.9 -30.6 -29.4 -6.9 -11.3 54 70 A H T 3< S+ 0 0 164 -4,-1.1 -2,-0.2 -3,-0.3 -1,-0.2 0.552 113.6 35.1 -66.9 -11.1 -31.7 -6.9 -14.1 55 71 A T T 3 S+ 0 0 22 -4,-0.4 -1,-0.3 2,-0.1 -2,-0.1 -0.159 81.3 131.7-135.0 31.1 -30.0 -3.7 -15.2 56 72 A A < + 0 0 62 -3,-1.7 -2,-0.1 1,-0.1 6,-0.1 0.769 68.2 45.3 -63.2 -31.8 -26.5 -4.7 -14.1 57 73 A D S S+ 0 0 137 -4,-0.2 2,-0.5 1,-0.1 5,-0.2 0.962 92.5 68.8 -82.6 -78.7 -24.7 -3.8 -17.3 58 74 A N S >> S- 0 0 88 1,-0.2 4,-1.4 3,-0.1 3,-0.6 -0.133 74.4-160.9 -40.9 93.0 -25.8 -0.4 -18.6 59 75 A Y H >> S+ 0 0 131 -2,-0.5 4,-2.4 1,-0.3 3,-0.7 0.891 84.8 41.8 -51.4 -54.6 -24.2 1.5 -15.6 60 76 A P H 3> S+ 0 0 83 0, 0.0 4,-0.8 0, 0.0 -1,-0.3 0.819 112.0 57.8 -66.4 -23.1 -26.0 4.8 -15.8 61 77 A L H <> S+ 0 0 71 -3,-0.6 4,-1.3 2,-0.2 -2,-0.2 0.763 109.1 45.8 -72.4 -27.2 -29.2 2.8 -16.4 62 78 A L H X S+ 0 0 1 -4,-2.9 4,-2.9 2,-0.2 3,-0.8 0.983 112.6 46.7 -56.0 -58.2 -40.2 7.8 -0.6 75 91 A M H 3X S+ 0 0 49 -4,-2.6 4,-2.4 1,-0.3 5,-0.2 0.939 107.6 55.4 -48.6 -56.3 -42.8 9.8 -2.4 76 92 A F H 3X S+ 0 0 98 -4,-2.3 4,-1.8 1,-0.2 -1,-0.3 0.840 114.0 43.1 -48.1 -34.4 -45.5 7.2 -1.8 77 93 A G H < + 0 0 0 -4,-2.6 3,-1.7 -5,-0.1 -1,-0.2 -0.199 51.9 179.5-178.3 77.3 -52.1 12.0 8.9 86 102 A P G > S+ 0 0 61 0, 0.0 3,-1.0 0, 0.0 -4,-0.1 0.723 80.2 71.1 -55.6 -25.6 -49.6 14.8 9.2 87 103 A E G 3 S+ 0 0 16 1,-0.3 8,-0.1 -6,-0.1 -5,-0.1 0.354 87.5 65.6 -76.9 5.9 -48.9 13.9 12.8 88 104 A A G < S+ 0 0 0 -3,-1.7 -1,-0.3 -7,-0.1 2,-0.1 -0.033 76.6 108.2-117.9 29.1 -47.1 10.8 11.8 89 105 A G S < S+ 0 0 20 -3,-1.0 247,-0.2 248,-0.1 246,-0.1 -0.397 73.9 9.1 -93.5-179.9 -44.2 12.4 10.1 90 106 A G S S- 0 0 9 245,-1.0 248,-2.9 1,-0.2 243,-0.1 -0.180 126.3 -28.3 51.0-134.5 -40.6 12.4 11.5 91 107 A S - 0 0 3 246,-0.2 46,-0.3 42,-0.1 248,-0.2 0.969 58.2-154.1 -80.3 -59.2 -40.2 10.2 14.6 92 108 A G S > S+ 0 0 3 246,-0.1 4,-1.7 44,-0.1 5,-0.1 0.258 73.5 100.0 95.6 -13.4 -43.5 10.0 16.3 93 109 A I H > S+ 0 0 0 2,-0.2 4,-2.1 1,-0.2 3,-0.4 0.950 83.1 48.9 -67.4 -46.0 -41.8 9.3 19.6 94 110 A P H > S+ 0 0 10 0, 0.0 4,-2.1 0, 0.0 -1,-0.2 0.900 110.3 53.9 -60.9 -35.1 -42.3 13.0 20.5 95 111 A E H > S+ 0 0 20 1,-0.2 4,-1.7 2,-0.2 -2,-0.2 0.848 107.5 47.3 -66.2 -36.8 -45.9 12.6 19.5 96 112 A I H X S+ 0 0 5 -4,-1.7 4,-1.1 -3,-0.4 -1,-0.2 0.812 109.1 56.4 -75.3 -29.4 -46.5 9.6 21.8 97 113 A E H >X S+ 0 0 13 -4,-2.1 4,-1.4 2,-0.2 3,-0.5 0.909 105.3 50.8 -64.8 -45.5 -44.8 11.5 24.6 98 114 A G H 3<>S+ 0 0 0 -4,-2.1 5,-2.1 1,-0.2 6,-0.4 0.915 102.3 61.4 -56.7 -43.2 -47.3 14.3 24.1 99 115 A A H ><5S+ 0 0 5 -4,-1.7 3,-0.7 1,-0.2 -1,-0.2 0.846 102.0 53.0 -51.5 -34.9 -50.1 11.8 24.3 100 116 A L H <<5S+ 0 0 2 -4,-1.1 -1,-0.2 -3,-0.5 -2,-0.2 0.908 105.9 49.5 -71.9 -41.8 -49.0 10.9 27.8 101 117 A E T 3<5S- 0 0 17 -4,-1.4 -1,-0.3 -3,-0.3 -2,-0.2 0.435 119.0-117.8 -74.7 3.6 -49.0 14.5 29.1 102 118 A D T < 5S+ 0 0 68 -3,-0.7 -3,-0.2 -4,-0.4 -2,-0.1 0.912 84.0 115.9 60.9 47.5 -52.5 14.5 27.5 103 119 A Q < + 0 0 44 -5,-2.1 -4,-0.2 1,-0.2 -5,-0.1 0.349 64.8 44.0-127.0 1.2 -51.5 17.2 25.0 104 120 A R S S- 0 0 45 -6,-0.4 -1,-0.2 -8,-0.1 -2,-0.1 -0.979 82.2-110.9-144.5 151.3 -51.8 15.6 21.6 105 121 A P - 0 0 63 0, 0.0 2,-0.2 0, 0.0 -6,-0.1 -0.225 12.9-139.5 -77.9 172.0 -54.4 13.2 20.1 106 122 A V - 0 0 18 -7,-0.1 2,-2.5 35,-0.0 3,-0.2 -0.562 22.4-179.8-132.0 69.1 -53.9 9.6 19.3 107 123 A R >> + 0 0 71 1,-0.2 4,-2.8 -2,-0.2 3,-1.8 -0.361 10.6 164.9 -73.2 69.6 -55.7 9.2 16.0 108 124 A W H 3> + 0 0 48 -2,-2.5 4,-1.6 1,-0.3 -1,-0.2 0.901 68.3 64.3 -56.5 -48.0 -55.1 5.5 15.5 109 125 A W H 34 S+ 0 0 144 -3,-0.2 -1,-0.3 1,-0.2 -2,-0.1 0.740 119.1 30.5 -46.8 -21.2 -57.6 5.0 12.7 110 126 A R H <> S+ 0 0 97 -3,-1.8 4,-1.4 2,-0.1 -2,-0.2 0.851 121.1 45.6-102.2 -55.5 -55.3 7.3 10.8 111 127 A V H X>S+ 0 0 1 -4,-2.8 4,-3.0 2,-0.2 5,-0.6 0.930 102.3 63.0 -58.3 -55.1 -51.8 6.8 12.1 112 128 A L H X5S+ 0 0 31 -4,-1.6 4,-1.9 1,-0.3 5,-0.3 0.889 112.6 33.8 -39.2 -67.9 -51.8 3.0 12.1 113 129 A P H >5S+ 0 0 59 0, 0.0 4,-1.4 0, 0.0 5,-0.3 0.780 122.9 48.6 -65.2 -25.0 -52.2 2.5 8.4 114 130 A V H X5S+ 0 0 4 -4,-1.4 4,-3.4 -3,-0.3 5,-0.3 0.980 114.0 40.3 -76.6 -57.3 -50.2 5.7 7.5 115 131 A K H X5S+ 0 0 0 -4,-3.0 4,-3.0 3,-0.2 5,-0.4 0.936 118.6 51.2 -55.0 -49.3 -47.1 5.2 9.7 116 132 A F H XX S+ 0 0 0 -4,-3.4 4,-2.0 -5,-0.3 3,-0.9 0.965 112.7 37.9 -60.5 -53.8 -45.6 5.2 4.9 119 135 A G H 3X>S+ 0 0 0 -4,-3.0 4,-3.3 -5,-0.3 5,-0.8 0.931 106.3 65.4 -62.7 -45.1 -42.5 4.0 6.6 120 136 A L H 3X5S+ 0 0 25 -4,-2.0 4,-0.5 -5,-0.4 -1,-0.3 0.795 108.7 45.9 -43.7 -29.9 -42.6 0.7 4.8 121 137 A G H S+ 0 0 1 -4,-2.0 5,-1.5 2,-0.2 3,-0.2 0.903 123.8 40.7 -65.1 -46.4 -39.3 5.3 3.3 123 139 A L H ><5S+ 0 0 8 -4,-3.3 3,-2.0 1,-0.2 4,-0.3 0.925 111.7 57.3 -66.7 -47.6 -37.4 2.6 5.1 124 140 A G H 3< -A 339 0A 2 209,-2.5 209,-1.6 -2,-0.3 3,-0.8 -0.751 10.3-133.6-108.9 149.2 -34.9 3.7 12.0 131 147 A R T 3> S+ 0 0 65 -2,-0.3 4,-2.1 1,-0.2 5,-0.2 0.818 99.0 70.1 -58.3 -35.7 -37.5 1.0 12.5 132 148 A E H 3> S+ 0 0 0 2,-0.2 4,-3.8 1,-0.2 5,-0.4 0.835 87.8 61.9 -57.7 -38.2 -38.2 2.1 16.1 133 149 A G H <> S+ 0 0 0 -3,-0.8 4,-2.3 1,-0.2 5,-0.4 0.979 111.4 38.1 -49.9 -70.2 -39.9 5.4 15.2 134 150 A P H > S+ 0 0 1 0, 0.0 4,-2.8 0, 0.0 -1,-0.2 0.883 120.8 46.6 -45.6 -48.5 -42.7 3.6 13.3 135 151 A T H X S+ 0 0 7 -4,-2.1 4,-2.9 2,-0.2 -2,-0.2 0.893 111.7 48.9 -68.5 -42.0 -42.9 0.7 15.8 136 152 A V H X S+ 0 0 0 -4,-3.8 4,-1.8 33,-0.2 33,-0.2 0.944 119.2 38.2 -61.3 -48.2 -42.9 2.9 18.9 137 153 A Q H X S+ 0 0 1 -4,-2.3 4,-1.7 -5,-0.4 -2,-0.2 0.918 116.5 52.1 -67.4 -45.2 -45.6 5.2 17.6 138 154 A I H X S+ 0 0 9 -4,-2.8 4,-2.0 -5,-0.4 3,-0.3 0.929 108.7 52.6 -56.1 -46.9 -47.5 2.3 16.0 139 155 A G H X S+ 0 0 0 -4,-2.9 4,-1.4 1,-0.2 27,-0.3 0.872 103.3 56.2 -59.1 -41.5 -47.4 0.5 19.3 140 156 A G H X S+ 0 0 0 -4,-1.8 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34.2 -30.7 0.8 62.7 533 105 B G S < S+ 0 0 19 -3,-0.9 247,-0.2 248,-0.1 3,-0.1 -0.485 73.6 12.5 -99.1 178.6 -31.8 -2.8 63.5 534 106 B G S S- 0 0 9 245,-1.3 248,-3.2 1,-0.2 243,-0.1 -0.290 125.2 -30.9 57.8-137.1 -33.1 -5.1 60.9 535 107 B S - 0 0 3 246,-0.2 46,-0.3 42,-0.1 -1,-0.2 0.947 56.6-154.9 -81.0 -57.2 -32.7 -4.0 57.3 536 108 B G S > S+ 0 0 3 -3,-0.1 4,-2.2 246,-0.1 5,-0.2 0.219 73.1 101.3 91.0 -16.0 -32.8 -0.2 57.3 537 109 B I H > S+ 0 0 0 2,-0.2 4,-2.3 1,-0.2 3,-0.2 0.955 84.7 48.0 -61.2 -48.5 -33.9 -0.3 53.7 538 110 B P H > S+ 0 0 8 0, 0.0 4,-1.8 0, 0.0 -1,-0.2 0.864 110.4 52.8 -60.1 -31.9 -37.4 0.3 55.1 539 111 B E H > S+ 0 0 20 2,-0.2 4,-1.4 1,-0.2 -2,-0.2 0.850 109.9 46.3 -74.9 -34.2 -36.0 3.1 57.3 540 112 B I H X S+ 0 0 5 -4,-2.2 4,-1.2 2,-0.2 -1,-0.2 0.859 108.3 56.1 -75.2 -35.0 -34.3 4.9 54.4 541 113 B E H >X S+ 0 0 11 -4,-2.3 4,-1.2 1,-0.2 3,-0.6 0.914 106.8 51.5 -58.7 -42.0 -37.4 4.6 52.3 542 114 B G H 3<>S+ 0 0 0 -4,-1.8 5,-2.1 1,-0.2 3,-0.5 0.898 101.3 61.3 -61.1 -39.7 -39.2 6.3 55.0 543 115 B A H ><5S+ 0 0 4 -4,-1.4 3,-0.5 1,-0.2 -1,-0.2 0.808 101.2 54.4 -58.2 -30.7 -36.7 9.1 55.0 544 116 B L H <<5S+ 0 0 2 -4,-1.2 -1,-0.2 -3,-0.6 -2,-0.2 0.855 104.9 49.7 -75.0 -36.9 -37.6 9.9 51.4 545 117 B E T 3<5S- 0 0 9 -4,-1.2 -1,-0.3 -3,-0.5 -2,-0.2 0.457 118.6-117.7 -76.7 1.3 -41.3 10.3 52.1 546 118 B D T < 5S+ 0 0 58 -3,-0.5 -3,-0.2 -4,-0.4 -2,-0.1 0.934 84.3 115.9 62.8 47.8 -40.0 12.6 54.9 547 119 B Q < + 0 0 34 -5,-2.1 -4,-0.2 1,-0.1 -5,-0.1 0.317 65.1 45.1-129.4 2.8 -41.5 10.4 57.6 548 120 B R S S- 0 0 57 -6,-0.4 -1,-0.1 -8,-0.1 -2,-0.1 -0.973 82.5-111.7-142.4 153.9 -38.5 9.1 59.5 549 121 B P - 0 0 66 0, 0.0 -6,-0.1 0, 0.0 2,-0.1 -0.280 12.6-139.5 -80.6 171.8 -35.4 10.9 60.8 550 122 B V + 0 0 16 -7,-0.1 2,-3.1 -2,-0.0 3,-0.2 -0.523 22.3 180.0-130.4 66.8 -31.8 10.4 59.5 551 123 B R >> + 0 0 70 1,-0.2 4,-2.8 -2,-0.1 3,-2.0 -0.274 11.2 164.0 -69.1 62.7 -29.7 10.3 62.6 552 124 B W H 3> + 0 0 51 -2,-3.1 4,-1.6 1,-0.3 -1,-0.2 0.903 68.0 63.4 -51.7 -49.3 -26.4 9.8 60.9 553 125 B W H 34 S+ 0 0 147 -3,-0.2 -1,-0.3 1,-0.2 -2,-0.1 0.769 119.9 29.6 -44.3 -26.5 -24.2 10.9 64.0 554 126 B R H <> S+ 0 0 98 -3,-2.0 4,-1.6 2,-0.1 -2,-0.2 0.861 121.3 47.6 -96.8 -56.0 -25.9 7.8 65.6 555 127 B V H X>S+ 0 0 1 -4,-2.8 4,-3.1 2,-0.2 5,-0.5 0.911 101.8 61.5 -58.8 -53.4 -26.6 5.4 62.7 556 128 B L H X5S+ 0 0 29 -4,-1.6 4,-2.1 1,-0.2 5,-0.3 0.921 112.9 34.3 -42.8 -68.0 -23.2 5.5 60.9 557 129 B P H >5S+ 0 0 61 0, 0.0 4,-1.6 0, 0.0 5,-0.4 0.826 121.6 49.4 -61.1 -29.4 -21.1 4.1 63.8 558 130 B V H X5S+ 0 0 4 -4,-1.6 4,-3.1 2,-0.2 5,-0.3 0.981 114.4 40.5 -73.3 -55.6 -23.9 1.8 65.1 559 131 B K H X5S+ 0 0 0 -4,-3.1 4,-3.3 3,-0.2 5,-0.4 0.940 117.9 50.5 -57.5 -49.6 -24.9 0.1 61.8 560 132 B F H XX S+ 0 0 0 -4,-3.1 4,-2.0 -5,-0.4 3,-0.7 0.954 111.5 40.6 -62.0 -50.4 -23.0 -3.4 64.7 563 135 B G H 3X>S+ 0 0 0 -4,-3.3 4,-3.2 -5,-0.3 5,-0.7 0.938 106.0 63.0 -63.0 -48.0 -23.2 -5.3 61.4 564 136 B L H 3<5S+ 0 0 25 -4,-2.4 4,-0.5 -5,-0.4 -1,-0.3 0.775 109.0 47.9 -44.9 -28.2 -19.5 -6.0 61.5 565 137 B G H S+ 0 0 0 -4,-2.0 5,-1.3 -48,-0.2 3,-0.3 0.897 124.2 42.4 -60.2 -48.5 -23.5 -9.8 63.3 567 139 B L T ><5S+ 0 0 7 -4,-3.2 3,-2.2 1,-0.2 4,-0.4 0.951 111.0 56.3 -64.7 -50.3 -22.2 -10.5 59.8 568 140 B G T 34 -B 783 0B 2 209,-3.4 209,-1.8 -2,-0.3 3,-0.9 -0.765 10.5-131.7-108.5 149.3 -26.6 -9.5 53.9 575 147 B R T 3> S+ 0 0 70 -2,-0.3 4,-2.3 1,-0.2 5,-0.2 0.803 99.5 70.0 -51.7 -36.9 -24.1 -6.8 53.4 576 148 B E H 3> S+ 0 0 0 2,-0.2 4,-3.6 1,-0.2 5,-0.4 0.839 88.1 61.0 -60.4 -37.3 -26.6 -4.5 51.6 577 149 B G H <> S+ 0 0 0 -3,-0.9 4,-2.2 2,-0.2 5,-0.4 0.981 111.8 38.4 -50.6 -72.2 -28.7 -3.7 54.5 578 150 B P H > S+ 0 0 1 0, 0.0 4,-3.3 0, 0.0 5,-0.2 0.906 120.7 46.2 -41.1 -56.8 -25.8 -2.1 56.4 579 151 B T H X S+ 0 0 7 -4,-2.3 4,-2.7 2,-0.2 -2,-0.2 0.867 111.3 49.7 -60.5 -41.8 -24.4 -0.5 53.2 580 152 B V H X S+ 0 0 0 -4,-3.6 4,-1.7 33,-0.2 -1,-0.2 0.956 119.1 37.7 -64.0 -48.4 -27.7 0.9 51.8 581 153 B Q H X S+ 0 0 3 -4,-2.2 4,-2.0 -5,-0.4 3,-0.2 0.938 115.8 52.3 -66.2 -50.0 -28.6 2.5 55.1 582 154 B I H X S+ 0 0 13 -4,-3.3 4,-1.9 -5,-0.4 -1,-0.2 0.913 108.9 54.3 -51.9 -42.9 -25.1 3.6 55.8 583 155 B G H X S+ 0 0 0 -4,-2.7 4,-1.5 -5,-0.2 27,-0.3 0.869 103.3 53.0 -61.7 -42.4 -25.1 5.1 52.4 584 156 B G H X S+ 0 0 0 -4,-1.7 4,-1.4 25,-0.3 -1,-0.2 0.918 110.4 47.9 -61.0 -40.3 -28.2 7.2 52.9 585 157 B N H X S+ 0 0 2 -4,-2.0 4,-3.5 2,-0.2 -1,-0.2 0.872 105.6 57.5 -68.9 -35.7 -26.7 8.7 56.0 586 158 B I H X S+ 0 0 11 -4,-1.9 4,-1.7 1,-0.3 -1,-0.2 0.843 109.7 47.3 -61.7 -30.6 -23.4 9.4 54.3 587 159 B G H < S+ 0 0 0 -4,-1.5 -1,-0.3 2,-0.2 -2,-0.2 0.790 111.4 49.6 -79.1 -28.1 -25.5 11.4 51.9 588 160 B R H >X S+ 0 0 62 -4,-1.4 4,-2.0 2,-0.2 3,-1.1 0.924 109.0 53.8 -71.9 -47.3 -27.3 13.1 54.8 589 161 B M H 3X S+ 0 0 41 -4,-3.5 4,-3.1 1,-0.3 5,-0.3 0.902 107.7 47.1 -53.8 -51.8 -24.1 14.0 56.5 590 162 B V H 3< S+ 0 0 5 -4,-1.7 -1,-0.3 1,-0.2 -2,-0.2 0.566 110.9 54.8 -72.4 -6.9 -22.6 15.7 53.4 591 163 B L H <4>S+ 0 0 7 -3,-1.1 5,-1.8 -4,-0.2 -1,-0.2 0.789 115.8 37.3 -90.2 -36.0 -25.8 17.6 53.1 592 164 B D H ><5S+ 0 0 51 -4,-2.0 3,-3.0 3,-0.2 -2,-0.2 0.970 114.0 52.7 -75.1 -62.6 -25.6 18.8 56.6 593 165 B I T 3<5S+ 0 0 115 -4,-3.1 -1,-0.2 1,-0.3 -3,-0.2 0.634 120.1 37.4 -49.3 -16.6 -21.9 19.4 56.8 594 166 B F T 3 5S- 0 0 118 -5,-0.3 -1,-0.3 -4,-0.1 -2,-0.2 0.317 103.4-132.3-118.8 4.3 -22.2 21.5 53.6 595 167 B R T < 5 - 0 0 225 -3,-3.0 2,-0.3 1,-0.2 -3,-0.2 0.806 33.3-175.4 47.5 43.5 -25.6 23.1 54.5 596 168 B L < - 0 0 42 -5,-1.8 2,-0.3 -6,-0.2 -1,-0.2 -0.535 11.7-146.2 -72.2 128.1 -27.1 22.4 51.1 597 169 B K + 0 0 200 -2,-0.3 4,-0.3 4,-0.0 2,-0.1 -0.729 45.0 61.6-100.1 142.6 -30.6 23.9 50.9 598 170 B G S > S- 0 0 39 -2,-0.3 4,-1.3 2,-0.1 5,-0.2 -0.162 73.5-102.9 124.7 143.7 -33.6 22.6 49.0 599 171 B D H > S+ 0 0 88 2,-0.2 4,-2.3 3,-0.1 5,-0.2 0.865 119.8 51.0 -57.2 -43.1 -36.0 19.7 48.6 600 172 B E H > S+ 0 0 55 1,-0.2 4,-3.3 2,-0.2 3,-0.3 0.995 109.7 47.1 -61.0 -63.4 -34.1 18.5 45.6 601 173 B A H > S+ 0 0 1 -4,-0.3 4,-1.1 1,-0.2 -1,-0.2 0.699 114.4 49.1 -54.0 -24.8 -30.7 18.5 47.2 602 174 B R H X S+ 0 0 55 -4,-1.3 4,-1.3 2,-0.2 -1,-0.2 0.903 116.4 39.3 -82.4 -44.4 -32.1 16.7 50.3 603 175 B H H X S+ 0 0 6 -4,-2.3 4,-1.4 -3,-0.3 -2,-0.2 0.846 116.4 53.1 -72.0 -34.1 -34.0 14.0 48.4 604 176 B T H X S+ 0 0 0 -4,-3.3 4,-3.2 -5,-0.2 5,-0.3 0.939 110.2 43.0 -69.2 -50.2 -31.2 13.6 45.8 605 177 B L H X S+ 0 0 1 -4,-1.1 4,-1.8 -5,-0.3 -1,-0.2 0.868 112.3 54.3 -66.0 -35.7 -28.3 13.0 48.1 606 178 B L H X S+ 0 0 5 -4,-1.3 4,-1.4 -19,-0.2 -1,-0.2 0.904 114.9 42.6 -64.2 -35.3 -30.3 10.7 50.3 607 179 B A H X S+ 0 0 1 -4,-1.4 4,-2.1 2,-0.2 3,-0.3 0.973 111.4 49.3 -75.9 -56.2 -31.0 8.7 47.2 608 180 B T H X S+ 0 0 0 -4,-3.2 4,-2.9 1,-0.2 5,-0.2 0.825 109.4 57.4 -54.8 -30.7 -27.6 8.6 45.5 609 181 B G H X S+ 0 0 0 -4,-1.8 4,-1.5 -5,-0.3 -25,-0.3 0.955 107.5 44.6 -64.3 -49.3 -26.2 7.5 48.9 610 182 B A H X S+ 0 0 0 -4,-1.4 4,-2.0 -27,-0.3 -2,-0.2 0.808 114.2 51.8 -65.3 -29.6 -28.5 4.5 49.1 611 183 B A H X S+ 0 0 0 -4,-2.1 4,-3.7 2,-0.2 3,-0.3 0.979 109.4 46.1 -69.0 -58.9 -27.7 3.7 45.4 612 184 B A H X S+ 0 0 0 -4,-2.9 4,-2.0 1,-0.2 -2,-0.2 0.772 110.5 60.0 -54.6 -25.9 -23.9 3.9 45.8 613 185 B G H X S+ 0 0 0 -4,-1.5 4,-0.6 -5,-0.2 -1,-0.2 0.947 111.7 34.7 -67.9 -50.0 -24.7 1.8 48.9 614 186 B L H >X S+ 0 0 0 -4,-2.0 4,-1.3 -3,-0.3 3,-1.2 0.918 114.0 59.6 -69.4 -44.8 -26.3 -1.1 47.0 615 187 B A H >X>S+ 0 0 0 -4,-3.7 5,-1.8 1,-0.3 4,-1.2 0.949 107.5 45.3 -49.3 -51.6 -24.0 -0.6 44.0 616 188 B A H 3<5S+ 0 0 3 -4,-2.0 -1,-0.3 1,-0.2 -2,-0.2 0.690 104.6 65.1 -68.5 -14.8 -21.0 -1.3 46.2 617 189 B A H <<5S+ 0 0 6 -3,-1.2 -1,-0.2 -4,-0.6 -2,-0.2 0.784 123.4 10.7 -80.0 -27.1 -22.6 -4.3 47.8 618 190 B F H <<5S- 0 0 6 -4,-1.3 -2,-0.2 -3,-1.0 -1,-0.2 0.226 101.1-108.0-134.4 13.2 -22.8 -6.4 44.7 619 191 B N T <5S+ 0 0 39 -4,-1.2 -3,-0.2 -5,-0.2 -4,-0.1 0.906 74.8 145.8 54.6 42.7 -20.6 -4.5 42.2 620 192 B A >< + 0 0 0 -5,-1.8 4,-2.2 -6,-0.4 -1,-0.2 -0.662 23.8 168.1-114.5 74.2 -23.9 -3.7 40.6 621 193 B P H > S+ 0 0 1 0, 0.0 4,-1.9 0, 0.0 -1,-0.2 0.936 83.1 41.6 -51.1 -50.8 -23.9 -0.1 39.1 622 194 B L H > S+ 0 0 2 1,-0.2 4,-2.9 2,-0.2 5,-0.3 0.961 111.9 52.4 -63.3 -53.5 -27.2 -0.7 37.2 623 195 B A H > S+ 0 0 0 1,-0.2 4,-2.0 215,-0.2 -1,-0.2 0.862 108.9 55.9 -50.7 -38.5 -29.1 -2.5 39.9 624 196 B G H X S+ 0 0 0 -4,-2.2 4,-1.2 2,-0.2 3,-0.3 0.976 110.8 39.1 -55.6 -62.1 -28.1 0.4 42.1 625 197 B I H >X S+ 0 0 2 -4,-1.9 4,-1.5 1,-0.2 3,-0.6 0.924 115.6 53.4 -56.0 -47.9 -29.6 3.2 40.0 626 198 B L H 3X S+ 0 0 0 -4,-2.9 4,-0.5 1,-0.2 5,-0.3 0.818 99.5 63.1 -58.2 -36.6 -32.6 1.1 39.1 627 199 B F H >X>S+ 0 0 0 -4,-2.0 4,-2.1 -3,-0.3 5,-1.7 0.903 102.9 48.6 -52.9 -51.0 -33.3 0.5 42.8 628 200 B I H <<>S+ 0 0 3 -4,-1.2 5,-1.5 -3,-0.6 4,-0.3 0.922 116.1 42.5 -56.7 -49.3 -33.9 4.2 43.4 629 201 B I H 3<5S+ 0 0 16 -4,-1.5 -1,-0.2 3,-0.2 -2,-0.2 0.351 122.4 37.6 -86.6 6.7 -36.3 4.6 40.5 630 202 B E H <<5S- 0 0 20 -3,-0.9 -2,-0.2 -4,-0.5 -3,-0.2 0.716 136.3 -2.7-115.4 -53.4 -38.2 1.4 41.0 631 203 B E T <5S+ 0 0 2 -4,-2.1 -3,-0.2 -5,-0.3 4,-0.1 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