==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-JAN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSPORT PROTEIN 22-JUN-10 3NMO . COMPND 2 MOLECULE: H(+)/CL(-) EXCHANGE TRANSPORTER CLCA; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR J.L.ROBERTSON,L.KOLMAKOVA-PARTENSKY,C.MILLER . 439 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 18666.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 347 79.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 2 0.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.5 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 . 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 . 10 2.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 36 8.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 280 63.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 13 3.0 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 0 1 0 1 1 1 1 0 1 1 0 0 1 1 2 0 2 1 1 0 0 0 1 0 0 0 2 RESIDUES PER ALPHA HELIX . 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 0 0 0 PARALLEL BRIDGES PER LADDER . 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 0 0 0 ANTIPARALLEL 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 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 22 A I > 0 0 95 0, 0.0 4,-0.7 0, 0.0 3,-0.4 0.000 360.0 360.0 360.0 136.9 -9.3 18.4 48.3 2 23 A R T 4 + 0 0 151 1,-0.2 4,-0.1 2,-0.2 0, 0.0 0.646 360.0 72.7 -72.0 -17.6 -11.8 15.8 47.0 3 24 A Q T >4 S+ 0 0 157 1,-0.2 3,-0.8 2,-0.2 -1,-0.2 0.822 93.1 50.4 -68.4 -35.1 -9.5 13.3 48.8 4 25 A L G >4 S+ 0 0 131 -3,-0.4 3,-1.1 1,-0.2 -1,-0.2 0.860 99.4 65.8 -71.9 -37.0 -10.6 14.3 52.3 5 26 A L G 3< S+ 0 0 146 -4,-0.7 -1,-0.2 1,-0.3 -2,-0.2 0.475 107.1 43.5 -62.3 -5.2 -14.3 14.0 51.4 6 27 A E G < + 0 0 30 -3,-0.8 2,-1.8 -4,-0.1 -1,-0.3 -0.177 63.2 141.5-140.2 45.6 -13.8 10.3 51.0 7 28 A R < + 0 0 172 -3,-1.1 2,-0.4 2,-0.0 -3,-0.1 -0.609 32.8 132.9 -86.9 72.3 -11.6 9.0 53.9 8 29 A D - 0 0 92 -2,-1.8 187,-0.2 2,-0.0 2,-0.1 -0.984 56.8-113.6-130.0 124.8 -13.5 5.8 54.3 9 30 A K + 0 0 187 -2,-0.4 -2,-0.0 184,-0.0 3,-0.0 -0.265 39.5 159.1 -66.4 134.2 -11.8 2.5 54.6 10 31 A T - 0 0 26 -2,-0.1 5,-0.1 183,-0.0 -2,-0.0 -0.939 56.7 -79.9-140.9 150.7 -11.9 -0.3 52.0 11 32 A P > - 0 0 69 0, 0.0 4,-1.3 0, 0.0 3,-0.2 -0.279 34.9-135.3 -60.4 139.7 -9.2 -3.0 51.9 12 33 A L H > S+ 0 0 118 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.866 101.5 60.5 -62.7 -39.0 -6.1 -1.9 50.2 13 34 A A H > S+ 0 0 59 1,-0.3 4,-2.5 2,-0.2 -1,-0.2 0.904 103.0 52.4 -59.6 -39.7 -5.7 -5.0 48.1 14 35 A I H > S+ 0 0 13 1,-0.2 4,-1.8 2,-0.2 -1,-0.3 0.906 106.5 53.6 -62.2 -39.7 -9.1 -4.3 46.6 15 36 A L H X S+ 0 0 24 -4,-1.3 4,-1.5 2,-0.2 -1,-0.2 0.915 108.2 49.1 -62.0 -41.4 -7.9 -0.9 45.7 16 37 A F H X S+ 0 0 130 -4,-2.3 4,-1.4 1,-0.2 3,-0.3 0.925 108.5 54.4 -62.8 -41.4 -4.9 -2.3 43.9 17 38 A M H X S+ 0 0 20 -4,-2.5 4,-2.2 1,-0.2 -1,-0.2 0.826 103.4 56.6 -59.9 -32.2 -7.2 -4.7 42.2 18 39 A A H X S+ 0 0 0 -4,-1.8 4,-3.3 1,-0.2 -1,-0.2 0.873 103.0 53.0 -69.9 -36.6 -9.2 -1.7 40.9 19 40 A A H X S+ 0 0 30 -4,-1.5 4,-2.2 -3,-0.3 -1,-0.2 0.801 108.5 51.0 -67.7 -31.1 -6.2 -0.1 39.3 20 41 A V H X S+ 0 0 57 -4,-1.4 4,-2.6 2,-0.2 -2,-0.2 0.944 112.6 45.5 -67.9 -50.5 -5.6 -3.4 37.4 21 42 A V H X S+ 0 0 0 -4,-2.2 4,-3.3 2,-0.2 5,-0.4 0.953 113.1 51.8 -51.2 -57.0 -9.3 -3.4 36.3 22 43 A G H X S+ 0 0 0 -4,-3.3 4,-2.2 1,-0.2 -2,-0.2 0.912 112.2 44.4 -45.9 -54.9 -8.9 0.3 35.3 23 44 A T H X S+ 0 0 47 -4,-2.2 4,-2.5 2,-0.2 -1,-0.2 0.903 116.2 45.7 -62.9 -43.8 -5.8 -0.3 33.2 24 45 A L H X S+ 0 0 73 -4,-2.6 4,-3.0 2,-0.2 -2,-0.2 0.964 114.5 46.8 -65.8 -51.0 -7.1 -3.4 31.5 25 46 A V H X S+ 0 0 1 -4,-3.3 4,-2.5 1,-0.2 -1,-0.2 0.840 110.7 56.1 -56.9 -35.9 -10.5 -1.8 30.7 26 47 A G H X S+ 0 0 1 -4,-2.2 4,-2.2 -5,-0.4 -2,-0.2 0.970 110.8 41.9 -56.5 -56.7 -8.6 1.2 29.5 27 48 A L H X S+ 0 0 77 -4,-2.5 4,-2.9 2,-0.2 5,-0.2 0.875 112.7 55.8 -57.8 -42.5 -6.6 -0.9 27.0 28 49 A A H X S+ 0 0 19 -4,-3.0 4,-2.9 2,-0.2 -2,-0.2 0.977 108.8 44.7 -55.2 -63.5 -9.7 -2.8 26.1 29 50 A A H X S+ 0 0 6 -4,-2.5 4,-2.3 1,-0.2 -1,-0.2 0.895 114.6 50.6 -46.2 -51.4 -11.7 0.3 25.1 30 51 A V H X S+ 0 0 14 -4,-2.2 4,-1.8 1,-0.2 -1,-0.2 0.927 112.1 45.1 -54.6 -51.0 -8.7 1.7 23.2 31 52 A A H X S+ 0 0 49 -4,-2.9 4,-2.0 1,-0.2 -1,-0.2 0.877 109.8 57.3 -65.3 -35.6 -8.1 -1.5 21.2 32 53 A F H X S+ 0 0 2 -4,-2.9 4,-2.3 -5,-0.2 -2,-0.2 0.950 105.8 49.3 -58.1 -51.0 -11.8 -1.7 20.5 33 54 A D H X S+ 0 0 31 -4,-2.3 4,-3.7 1,-0.2 -1,-0.2 0.882 109.5 51.3 -53.1 -46.0 -11.8 1.8 18.9 34 55 A K H X S+ 0 0 109 -4,-1.8 4,-2.7 1,-0.2 -1,-0.2 0.853 109.0 51.5 -65.8 -34.3 -8.9 0.9 16.7 35 56 A G H X S+ 0 0 17 -4,-2.0 4,-2.0 2,-0.2 -2,-0.2 0.936 113.7 43.9 -62.7 -46.2 -10.7 -2.2 15.6 36 57 A V H X S+ 0 0 12 -4,-2.3 4,-2.4 2,-0.2 5,-0.3 0.953 115.3 48.4 -65.0 -50.3 -13.8 -0.1 14.7 37 58 A A H X S+ 0 0 57 -4,-3.7 4,-2.1 1,-0.2 5,-0.2 0.949 110.7 51.2 -52.6 -55.1 -11.6 2.6 13.1 38 59 A W H X S+ 0 0 152 -4,-2.7 4,-2.1 1,-0.2 -1,-0.2 0.882 111.9 46.6 -50.1 -46.1 -9.7 0.0 11.1 39 60 A L H X S+ 0 0 33 -4,-2.0 4,-2.7 2,-0.2 -1,-0.2 0.923 111.1 48.9 -70.1 -47.7 -12.9 -1.6 9.8 40 61 A Q H X S+ 0 0 75 -4,-2.4 4,-1.4 1,-0.2 -1,-0.2 0.827 114.8 49.6 -53.9 -34.3 -14.7 1.6 8.8 41 62 A N H X S+ 0 0 112 -4,-2.1 4,-1.3 -5,-0.3 -2,-0.2 0.819 109.3 48.0 -80.0 -34.5 -11.4 2.5 7.0 42 63 A Q H X S+ 0 0 88 -4,-2.1 4,-1.2 -5,-0.2 -2,-0.2 0.875 110.3 55.5 -67.8 -37.5 -11.1 -0.9 5.2 43 64 A R H X S+ 0 0 48 -4,-2.7 4,-1.4 1,-0.2 3,-0.3 0.866 106.1 48.6 -62.3 -40.2 -14.8 -0.4 4.2 44 65 A M H X S+ 0 0 120 -4,-1.4 4,-1.2 1,-0.2 -1,-0.2 0.848 103.1 65.4 -66.5 -32.5 -14.0 3.0 2.6 45 66 A G H X S+ 0 0 43 -4,-1.3 4,-1.6 1,-0.2 -2,-0.2 0.835 102.6 45.6 -57.2 -38.5 -11.1 1.3 0.9 46 67 A A H X S+ 0 0 29 -4,-1.2 4,-1.6 -3,-0.3 -1,-0.2 0.907 108.3 56.5 -70.9 -41.3 -13.5 -0.9 -1.1 47 68 A L H < S+ 0 0 26 -4,-1.4 -2,-0.2 1,-0.2 -1,-0.2 0.685 109.2 47.2 -66.0 -20.3 -15.7 2.1 -1.9 48 69 A V H >< S+ 0 0 113 -4,-1.2 3,-1.5 2,-0.1 -1,-0.2 0.846 106.7 55.5 -86.2 -41.7 -12.7 3.9 -3.5 49 70 A H H 3< S+ 0 0 161 -4,-1.6 3,-0.3 1,-0.3 -2,-0.2 0.794 115.7 41.3 -57.3 -28.7 -11.7 0.8 -5.5 50 71 A T T 3< S+ 0 0 14 -4,-1.6 7,-0.3 1,-0.2 -1,-0.3 -0.111 72.6 115.8-115.3 37.1 -15.2 0.9 -6.9 51 72 A A S < S+ 0 0 74 -3,-1.5 -1,-0.2 1,-0.2 3,-0.1 0.635 74.4 64.6 -73.7 -14.2 -15.7 4.7 -7.5 52 73 A D S S+ 0 0 159 -3,-0.3 2,-0.7 1,-0.2 -1,-0.2 0.918 101.2 46.6 -69.9 -49.4 -15.9 3.8 -11.2 53 74 A N > - 0 0 78 1,-0.2 4,-2.1 -3,-0.1 -1,-0.2 -0.863 68.6-166.8-109.1 106.7 -19.1 1.7 -11.0 54 75 A Y H > S+ 0 0 125 -2,-0.7 4,-1.8 2,-0.2 5,-0.2 0.912 83.0 46.2 -65.9 -52.7 -22.0 3.3 -9.1 55 76 A P H > S+ 0 0 82 0, 0.0 4,-2.1 0, 0.0 -1,-0.2 0.875 115.7 49.7 -58.9 -36.0 -24.5 0.5 -8.5 56 77 A L H > S+ 0 0 76 2,-0.2 4,-2.9 1,-0.2 5,-0.3 0.887 104.8 58.2 -65.0 -43.7 -21.7 -1.8 -7.5 57 78 A L H X S+ 0 0 10 -4,-2.1 4,-2.1 -7,-0.3 -1,-0.2 0.873 111.2 42.0 -52.9 -43.4 -20.4 0.9 -5.1 58 79 A L H X S+ 0 0 39 -4,-1.8 4,-1.8 2,-0.2 -1,-0.2 0.893 113.2 52.9 -68.4 -42.2 -23.8 0.8 -3.3 59 80 A T H X S+ 0 0 74 -4,-2.1 4,-2.2 2,-0.2 -2,-0.2 0.822 112.5 44.6 -67.0 -32.3 -23.9 -3.0 -3.5 60 81 A V H X S+ 0 0 28 -4,-2.9 4,-2.7 2,-0.2 5,-0.4 0.902 109.1 55.8 -75.2 -43.9 -20.5 -3.2 -1.8 61 82 A A H X S+ 0 0 5 -4,-2.1 4,-0.7 -5,-0.3 -2,-0.2 0.821 114.6 42.4 -52.1 -33.9 -21.5 -0.6 0.7 62 83 A F H X S+ 0 0 75 -4,-1.8 4,-2.1 220,-0.2 -2,-0.2 0.915 116.5 44.7 -77.5 -47.7 -24.4 -2.9 1.5 63 84 A L H X S+ 0 0 101 -4,-2.2 4,-3.9 2,-0.2 5,-0.3 0.903 111.3 49.9 -71.1 -45.7 -22.5 -6.3 1.5 64 85 A C H X S+ 0 0 42 -4,-2.7 4,-2.0 2,-0.2 -1,-0.2 0.933 116.2 44.3 -57.9 -47.6 -19.4 -5.2 3.5 65 86 A S H X S+ 0 0 0 -4,-0.7 4,-2.0 -5,-0.4 -2,-0.2 0.855 116.9 47.3 -61.9 -38.3 -21.8 -3.7 6.2 66 87 A A H X S+ 0 0 7 -4,-2.1 4,-2.8 212,-0.3 -2,-0.2 0.939 111.7 47.9 -68.5 -49.3 -24.0 -6.8 6.0 67 88 A V H X S+ 0 0 93 -4,-3.9 4,-1.5 2,-0.2 -2,-0.2 0.884 114.4 47.7 -63.4 -37.5 -21.2 -9.4 6.2 68 89 A L H X S+ 0 0 37 -4,-2.0 4,-1.8 -5,-0.3 49,-0.2 0.945 113.8 45.6 -65.8 -51.5 -19.6 -7.5 9.2 69 90 A A H X S+ 0 0 0 -4,-2.0 4,-2.5 47,-0.3 5,-0.3 0.899 108.6 57.2 -56.7 -44.9 -22.9 -7.2 11.1 70 91 A M H X S+ 0 0 65 -4,-2.8 4,-1.9 1,-0.2 -1,-0.2 0.880 104.6 52.5 -56.1 -42.2 -23.7 -10.9 10.3 71 92 A F H X S+ 0 0 103 -4,-1.5 4,-2.1 -5,-0.2 -1,-0.2 0.933 111.9 47.1 -55.8 -49.1 -20.5 -11.9 12.0 72 93 A G H X S+ 0 0 0 -4,-1.8 4,-1.9 1,-0.2 3,-0.3 0.990 111.6 46.5 -56.1 -69.0 -21.5 -9.8 15.1 73 94 A Y H X S+ 0 0 3 -4,-2.5 4,-1.9 1,-0.2 -1,-0.2 0.787 112.5 54.6 -44.3 -37.3 -25.1 -11.1 15.4 74 95 A F H X S+ 0 0 80 -4,-1.9 4,-3.1 -5,-0.3 5,-0.3 0.961 105.2 49.1 -65.5 -56.0 -23.7 -14.7 15.0 75 96 A L H X>S+ 0 0 24 -4,-2.1 4,-3.1 -3,-0.3 5,-0.7 0.932 112.0 50.6 -47.7 -53.4 -21.1 -14.6 17.8 76 97 A V H X5S+ 0 0 2 -4,-1.9 4,-2.1 1,-0.2 7,-0.2 0.922 116.8 38.3 -52.6 -51.7 -23.7 -13.2 20.2 77 98 A R H <5S+ 0 0 72 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.2 0.803 120.7 45.5 -76.7 -30.1 -26.3 -15.9 19.5 78 99 A K H <5S+ 0 0 112 -4,-3.1 -2,-0.2 -5,-0.2 -1,-0.2 0.870 134.6 7.3 -75.4 -37.7 -23.9 -18.8 19.1 79 100 A Y H <5S+ 0 0 100 -4,-3.1 -3,-0.2 -5,-0.3 -2,-0.2 0.574 134.1 15.0-127.1 -15.3 -21.8 -18.0 22.2 80 101 A A ><< + 0 0 0 -4,-2.1 3,-3.4 -5,-0.7 4,-0.3 -0.202 47.6 177.1-167.2 65.0 -23.1 -15.2 24.4 81 102 A P G > S+ 0 0 58 0, 0.0 3,-1.8 0, 0.0 -4,-0.1 0.763 84.0 65.2 -47.2 -32.3 -26.8 -14.0 24.0 82 103 A E G 3 S+ 0 0 20 1,-0.3 8,-0.2 -6,-0.1 -5,-0.1 0.581 88.6 69.0 -71.0 -7.9 -26.4 -11.6 26.9 83 104 A A G < S+ 0 0 0 -3,-3.4 -1,-0.3 -7,-0.2 250,-0.2 0.510 79.6 102.5 -83.2 -8.2 -23.8 -9.7 24.8 84 105 A G S < S+ 0 0 18 -3,-1.8 247,-0.2 -4,-0.3 3,-0.2 -0.328 80.6 8.1 -64.6 158.7 -26.7 -8.7 22.5 85 106 A G B S-a 332 0A 10 246,-0.5 248,-1.7 1,-0.2 243,-0.1 -0.232 122.6 -40.6 64.7-159.9 -27.9 -5.1 23.0 86 107 A S - 0 0 3 246,-0.2 46,-0.4 42,-0.1 -1,-0.2 0.869 60.7-145.7 -64.4 -45.0 -26.1 -2.7 25.2 87 108 A G > + 0 0 3 -3,-0.2 4,-1.3 44,-0.1 -2,-0.1 0.563 69.5 112.4 74.7 11.0 -25.2 -5.0 28.1 88 109 A I H > S+ 0 0 0 2,-0.2 4,-1.9 1,-0.2 5,-0.1 0.873 75.6 50.5 -77.1 -37.7 -25.6 -2.2 30.6 89 110 A P H > S+ 0 0 8 0, 0.0 4,-1.9 0, 0.0 -1,-0.2 0.738 105.7 58.4 -73.5 -19.2 -28.7 -3.8 32.1 90 111 A E H > S+ 0 0 20 2,-0.2 4,-2.2 1,-0.2 3,-0.2 0.972 108.0 44.1 -64.1 -56.1 -26.8 -7.1 32.4 91 112 A I H X S+ 0 0 1 -4,-1.3 4,-1.8 1,-0.2 -1,-0.2 0.844 111.8 55.3 -58.1 -33.3 -24.1 -5.4 34.5 92 113 A E H X S+ 0 0 7 -4,-1.9 4,-0.6 1,-0.2 -1,-0.2 0.924 109.7 45.6 -63.2 -43.4 -27.0 -3.7 36.4 93 114 A G H <>S+ 0 0 0 -4,-1.9 5,-3.3 1,-0.2 6,-1.2 0.790 108.6 55.9 -71.0 -30.2 -28.5 -7.2 37.2 94 115 A A H ><5S+ 0 0 6 -4,-2.2 3,-1.4 4,-0.3 -1,-0.2 0.862 104.8 52.8 -68.6 -37.4 -25.1 -8.5 38.2 95 116 A L H 3<5S+ 0 0 0 -4,-1.8 -1,-0.2 1,-0.3 -2,-0.2 0.655 106.5 53.7 -69.9 -17.9 -24.9 -5.7 40.7 96 117 A E T 3<5S- 0 0 59 -4,-0.6 -1,-0.3 -3,-0.2 -2,-0.2 0.295 115.6-120.7 -90.6 4.9 -28.3 -6.9 42.0 97 118 A D T < 5S+ 0 0 77 -3,-1.4 -3,-0.2 2,-0.1 -2,-0.1 0.775 90.8 107.5 52.4 29.2 -26.7 -10.3 42.3 98 119 A Q < + 0 0 72 -5,-3.3 -4,-0.3 -8,-0.1 -5,-0.1 0.507 67.4 51.0-111.0 -10.8 -29.4 -11.4 39.8 99 120 A R S S- 0 0 51 -6,-1.2 -2,-0.1 -9,-0.1 -1,-0.1 -0.976 76.9-126.0-126.3 144.9 -27.4 -11.9 36.7 100 121 A P - 0 0 69 0, 0.0 -6,-0.1 0, 0.0 -2,-0.1 -0.032 12.5-138.3 -69.6-177.4 -24.2 -14.0 36.0 101 122 A V - 0 0 20 -7,-0.1 2,-2.8 38,-0.0 3,-0.2 -0.479 18.7-176.3-145.4 69.3 -21.1 -12.5 34.5 102 123 A R >> + 0 0 74 1,-0.2 4,-2.8 2,-0.1 3,-1.9 -0.307 13.9 164.4 -73.6 65.7 -19.8 -15.1 32.0 103 124 A W H 3> + 0 0 56 -2,-2.8 4,-2.4 1,-0.3 -1,-0.2 0.796 66.4 67.2 -55.5 -35.7 -16.6 -13.2 31.0 104 125 A W H 34 S+ 0 0 147 -3,-0.2 -1,-0.3 1,-0.2 -2,-0.1 0.823 119.4 24.8 -56.7 -29.1 -14.9 -16.2 29.4 105 126 A R H <> S+ 0 0 105 -3,-1.9 4,-2.0 2,-0.1 -2,-0.2 0.855 123.4 50.0 -96.8 -52.7 -17.7 -16.0 26.8 106 127 A V H X S+ 0 0 1 -4,-2.8 4,-2.9 2,-0.2 5,-0.5 0.834 102.2 63.6 -62.0 -37.8 -18.8 -12.3 26.9 107 128 A L H X S+ 0 0 33 -4,-2.4 4,-1.6 -5,-0.3 5,-0.2 0.978 112.3 30.3 -55.2 -63.8 -15.3 -10.9 26.6 108 129 A P H > S+ 0 0 61 0, 0.0 4,-2.7 0, 0.0 5,-0.5 0.943 123.5 50.1 -64.2 -40.5 -14.4 -12.2 23.1 109 130 A V H X S+ 0 0 8 -4,-2.0 4,-2.4 1,-0.2 5,-0.3 0.933 112.4 43.5 -63.3 -49.0 -18.0 -12.1 21.9 110 131 A K H X S+ 0 0 0 -4,-2.9 4,-1.6 -5,-0.2 -1,-0.2 0.869 117.4 49.6 -63.9 -34.2 -18.9 -8.5 22.9 111 132 A F H X S+ 0 0 44 -4,-1.6 4,-1.4 -5,-0.5 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7.9 0.5 288 309 A A S >X S- 0 0 22 -4,-2.5 3,-2.6 -5,-0.3 4,-0.7 -0.498 72.7-176.3-147.3 70.8 -27.3 9.9 3.6 289 310 A P T 34 S+ 0 0 87 0, 0.0 3,-0.1 0, 0.0 9,-0.1 0.638 76.3 57.8 -50.7 -26.7 -24.3 9.8 6.0 290 311 A A T 34 S+ 0 0 19 1,-0.2 8,-0.1 7,-0.1 -5,-0.1 0.549 99.9 57.0 -86.1 -7.6 -26.1 11.6 8.9 291 312 A T T <4 S+ 0 0 4 -3,-2.6 -1,-0.2 -7,-0.3 31,-0.2 0.734 114.5 35.8 -92.5 -27.8 -28.9 9.1 9.2 292 313 A S S < S+ 0 0 1 -4,-0.7 -170,-0.1 -8,-0.3 -10,-0.1 -0.205 89.8 61.4-104.4-162.7 -26.6 6.2 9.8 293 314 A G S S- 0 0 13 -172,-1.7 -173,-0.0 -12,-0.2 -3,-0.0 -0.044 97.8 -61.4 70.5-174.0 -23.2 6.0 11.6 294 315 A G - 0 0 21 -171,-0.2 47,-0.2 -176,-0.1 -1,-0.1 0.966 62.9-115.0 -73.8 -57.2 -22.6 6.7 15.3 295 316 A G S > S+ 0 0 2 46,-0.1 4,-1.1 45,-0.1 3,-0.1 0.218 89.8 98.8 136.7 -12.6 -23.7 10.3 15.7 296 317 A F T 4 S+ 0 0 42 1,-0.2 -3,-0.0 2,-0.2 0, 0.0 0.731 79.1 62.7 -73.3 -22.8 -20.4 12.1 16.6 297 318 A N T > S+ 0 0 113 1,-0.2 4,-0.7 2,-0.1 -1,-0.2 0.922 109.1 36.6 -65.5 -47.3 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169.0 -27.9 22.2 8.9 308 329 A S > - 0 0 71 -2,-0.2 4,-3.2 1,-0.1 5,-0.2 -0.793 25.2-109.3-107.6 157.7 -31.3 23.6 7.9 309 330 A M H > S+ 0 0 68 -2,-0.3 4,-2.2 1,-0.2 5,-0.2 0.903 121.5 47.9 -49.4 -48.4 -34.6 23.2 9.9 310 331 A G H > S+ 0 0 55 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.903 113.0 48.1 -60.6 -45.2 -36.0 20.9 7.1 311 332 A M H > S+ 0 0 77 2,-0.2 4,-2.5 1,-0.2 -2,-0.2 0.880 108.3 55.2 -62.2 -42.5 -32.8 18.9 7.1 312 333 A L H X S+ 0 0 1 -4,-3.2 4,-2.7 2,-0.2 -2,-0.2 0.932 108.8 47.4 -55.1 -48.4 -32.8 18.6 11.0 313 334 A V H X S+ 0 0 79 -4,-2.2 4,-2.2 2,-0.2 5,-0.3 0.915 110.8 52.3 -61.9 -42.4 -36.3 17.1 10.9 314 335 A F H X S+ 0 0 105 -4,-2.0 4,-2.5 1,-0.2 -2,-0.2 0.943 112.2 45.5 -55.6 -50.0 -35.2 14.7 8.2 315 336 A I H X S+ 0 0 0 -4,-2.5 4,-2.8 2,-0.2 5,-0.2 0.907 111.3 52.5 -62.4 -46.9 -32.3 13.5 10.3 316 337 A F H X S+ 0 0 42 -4,-2.7 4,-2.6 2,-0.2 -2,-0.2 0.959 113.9 40.9 -53.7 -58.2 -34.3 13.2 13.5 317 338 A V H X S+ 0 0 80 -4,-2.2 4,-2.3 1,-0.2 -2,-0.2 0.940 117.0 49.5 -58.5 -48.8 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112.4 59.0 -70.3 -39.9 -24.4 7.6 22.0 338 359 A P H 3> S+ 0 0 0 0, 0.0 4,-2.1 0, 0.0 -1,-0.2 0.855 103.7 54.2 -48.3 -36.8 -27.4 7.4 19.7 339 360 A M H 3X S+ 0 0 0 -4,-1.7 4,-1.3 1,-0.2 37,-0.4 0.696 104.2 54.7 -72.0 -23.8 -29.3 9.3 22.4 340 361 A L H < + 0 0 56 -4,-1.9 3,-1.2 -5,-0.2 4,-0.4 -0.678 64.4 161.6-127.2 77.6 -37.9 35.6 20.2 359 380 A P T 3 S+ 0 0 106 0, 0.0 3,-0.1 0, 0.0 -1,-0.1 0.574 71.9 65.5 -73.7 -7.0 -35.7 38.1 18.3 360 381 A Q T 3 S+ 0 0 118 1,-0.1 -5,-0.1 -3,-0.1 -3,-0.0 0.607 88.6 69.5 -85.6 -12.6 -35.3 40.2 21.4 361 382 A Y S < S- 0 0 39 -3,-1.2 -1,-0.1 -6,-0.2 -131,-0.1 0.809 92.4-120.4 -85.8 -35.4 -33.4 37.7 23.5 362 383 A H + 0 0 161 -4,-0.4 2,-0.4 -7,-0.2 -132,-0.1 0.907 47.1 176.4 80.5 71.8 -29.9 37.1 22.2 363 384 A L - 0 0 32 -5,-0.2 2,-0.5 -8,-0.1 -1,-0.1 -0.849 27.6-156.7-113.6 142.1 -30.0 33.4 21.5 364 385 A E >> - 0 0 64 -2,-0.4 3,-1.2 1,-0.1 4,-0.7 -0.985 14.8-145.7-113.2 127.7 -27.5 31.1 19.9 365 386 A A H >> S+ 0 0 21 -2,-0.5 4,-1.0 1,-0.2 3,-0.8 0.839 97.3 64.0 -59.3 -32.9 -29.1 28.0 18.4 366 387 A G H 3> S+ 0 0 3 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.690 91.3 61.9 -66.2 -23.1 -26.0 26.0 19.5 367 388 A T H <> S+ 0 0 5 -3,-1.2 4,-1.4 2,-0.2 -1,-0.2 0.785 105.1 47.5 -77.3 -26.1 -26.7 26.5 23.2 368 389 A F H X S+ 0 0 0 -4,-1.1 3,-2.1 2,-0.2 4,-0.8 0.801 94.8 77.5 -82.7 -32.7 -30.6 18.8 24.4 373 394 A M H 3< S+ 0 0 0 -4,-1.6 -30,-0.3 1,-0.3 -29,-0.3 0.824 108.5 27.9 -45.2 -45.2 -27.5 16.6 23.9 374 395 A G T 3X S+ 0 0 7 -4,-0.8 4,-0.9 -31,-0.2 -1,-0.3 0.299 102.1 87.7 -98.6 7.6 -27.9 15.2 27.4 375 396 A A H <> S+ 0 0 1 -3,-2.1 4,-1.2 2,-0.2 -2,-0.2 0.709 83.6 52.3 -87.6 -21.4 -31.7 15.6 27.7 376 397 A L H X>S+ 0 0 0 -4,-0.8 4,-2.7 -37,-0.4 5,-0.8 0.817 106.9 56.4 -77.0 -33.1 -32.8 12.3 26.2 377 398 A L H 4>S+ 0 0 0 1,-0.2 6,-2.0 -4,-0.2 5,-0.9 0.835 109.1 46.9 -61.4 -35.4 -30.4 10.7 28.7 378 399 A A H <5S+ 0 0 1 -4,-0.9 -1,-0.2 4,-0.2 -2,-0.2 0.856 119.6 39.0 -72.6 -34.8 -32.4 12.5 31.4 379 400 A A H <5S+ 0 0 1 -4,-1.2 -2,-0.2 3,-0.1 -3,-0.2 0.726 129.9 21.4 -92.0 -25.4 -35.7 11.4 29.9 380 401 A S T <5S+ 0 0 0 -4,-2.7 43,-2.2 -135,-0.1 -3,-0.2 0.799 133.2 33.8-111.3 -53.4 -35.1 7.8 28.8 381 402 A I T + 0 0 1 -6,-2.0 4,-2.0 1,-0.1 3,-0.2 -0.543 28.8 163.2-133.6 68.0 -29.9 9.5 34.6 384 405 A P H > + 0 0 17 0, 0.0 4,-2.8 0, 0.0 -6,-0.2 0.872 69.2 50.9 -58.7 -48.6 -29.9 13.4 34.3 385 406 A L H > S+ 0 0 98 2,-0.2 4,-2.9 1,-0.2 5,-0.3 0.857 110.6 49.6 -63.9 -39.3 -26.8 14.3 36.3 386 407 A T H > S+ 0 0 0 2,-0.2 4,-3.5 -3,-0.2 5,-0.2 0.975 111.7 48.8 -59.1 -57.1 -24.6 11.9 34.3 387 408 A G H X S+ 0 0 0 -4,-2.0 4,-3.3 2,-0.2 5,-0.3 0.940 114.1 46.9 -43.9 -61.3 -25.9 13.2 31.0 388 409 A I H X S+ 0 0 16 -4,-2.8 4,-2.9 -14,-0.2 -2,-0.2 0.932 116.5 41.3 -45.8 -62.5 -25.3 16.8 32.2 389 410 A I H X S+ 0 0 48 -4,-2.9 4,-2.2 2,-0.2 -1,-0.2 0.827 115.9 52.7 -62.0 -32.4 -21.7 16.2 33.5 390 411 A L H X S+ 0 0 0 -4,-3.5 4,-2.7 -5,-0.3 -2,-0.2 0.976 112.6 42.5 -63.3 -55.3 -21.0 14.0 30.5 391 412 A V H X S+ 0 0 1 -4,-3.3 4,-2.3 -5,-0.2 5,-0.4 0.883 114.6 52.7 -56.9 -41.4 -22.1 16.7 28.0 392 413 A L H X S+ 0 0 7 -4,-2.9 4,-1.2 -5,-0.3 -1,-0.2 0.891 113.2 43.4 -62.9 -40.9 -20.2 19.3 30.2 393 414 A E H < S+ 0 0 38 -4,-2.2 -2,-0.2 -5,-0.2 -1,-0.2 0.835 117.2 44.9 -75.2 -34.7 -17.0 17.2 30.0 394 415 A M H < S+ 0 0 14 -4,-2.7 -176,-0.5 -5,-0.1 -2,-0.2 0.832 122.9 33.4 -79.4 -34.4 -17.3 16.4 26.3 395 416 A T H < S- 0 0 6 -4,-2.3 -175,-0.3 -5,-0.2 -2,-0.2 0.643 90.6-144.0 -93.4 -23.2 -18.2 19.9 25.0 396 417 A D < + 0 0 109 -4,-1.2 2,-2.1 -5,-0.4 3,-0.1 0.349 54.6 136.1 72.2 -2.4 -16.1 21.8 27.7 397 418 A N > + 0 0 0 -6,-0.3 3,-1.4 1,-0.2 -1,-0.2 -0.464 19.3 164.4 -77.4 75.4 -18.8 24.5 27.8 398 419 A Y G > + 0 0 104 -2,-2.1 3,-1.0 1,-0.3 -1,-0.2 0.601 63.0 72.7 -71.2 -12.2 -18.9 24.9 31.6 399 420 A Q G 3 S+ 0 0 49 1,-0.2 3,-0.4 -3,-0.1 -173,-0.3 0.689 88.5 62.3 -74.0 -20.1 -20.8 28.2 31.4 400 421 A L G <> + 0 0 0 -3,-1.4 4,-2.2 1,-0.2 -1,-0.2 0.339 67.4 112.5 -90.1 9.5 -24.0 26.4 30.3 401 422 A W H <> S+ 0 0 138 -3,-1.0 4,-1.5 1,-0.2 -1,-0.2 0.784 76.5 47.8 -56.4 -33.5 -24.4 24.4 33.5 402 423 A L H > S+ 0 0 70 -3,-0.4 4,-2.1 2,-0.2 -1,-0.2 0.924 111.6 46.2 -78.8 -44.5 -27.5 26.2 34.8 403 424 A P H > S+ 0 0 5 0, 0.0 4,-2.1 0, 0.0 -2,-0.2 0.905 114.2 52.6 -58.9 -39.0 -29.6 26.1 31.5 404 425 A M H X S+ 0 0 6 -4,-2.2 4,-2.0 2,-0.2 -2,-0.2 0.856 107.6 49.3 -64.2 -39.8 -28.6 22.4 31.2 405 426 A I H X S+ 0 0 74 -4,-1.5 4,-2.9 -5,-0.2 5,-0.2 0.908 110.3 51.5 -66.8 -41.7 -29.8 21.6 34.8 406 427 A I H X S+ 0 0 35 -4,-2.1 4,-2.2 2,-0.2 -2,-0.2 0.891 110.3 49.2 -59.3 -42.6 -33.1 23.3 34.1 407 428 A T H X S+ 0 0 0 -4,-2.1 4,-2.0 2,-0.2 -2,-0.2 0.907 114.6 45.1 -63.0 -43.4 -33.5 21.2 30.9 408 429 A G H X S+ 0 0 3 -4,-2.0 4,-2.4 2,-0.2 5,-0.2 0.883 110.7 51.4 -69.5 -43.3 -32.7 18.0 32.7 409 430 A L H X S+ 0 0 102 -4,-2.9 4,-2.2 1,-0.2 5,-0.3 0.946 112.7 47.6 -60.0 -48.4 -34.9 18.7 35.7 410 431 A G H X S+ 0 0 2 -4,-2.2 4,-1.8 -5,-0.2 -2,-0.2 0.889 111.3 51.6 -55.6 -43.9 -37.8 19.4 33.3 411 432 A A H X S+ 0 0 0 -4,-2.0 4,-1.6 1,-0.2 -2,-0.2 0.901 113.3 42.5 -62.2 -43.7 -37.1 16.2 31.3 412 433 A T H X S+ 0 0 21 -4,-2.4 4,-2.3 2,-0.2 -2,-0.2 0.851 113.9 49.3 -75.6 -37.7 -37.1 13.9 34.4 413 434 A L H X S+ 0 0 73 -4,-2.2 4,-2.5 -5,-0.2 -1,-0.2 0.879 116.1 43.5 -70.2 -38.8 -40.1 15.4 36.1 414 435 A L H < S+ 0 0 52 -4,-1.8 -2,-0.2 -5,-0.3 -1,-0.2 0.821 113.2 52.9 -72.4 -32.2 -42.1 15.2 32.9 415 436 A A H ><>S+ 0 0 0 -4,-1.6 5,-2.3 -5,-0.2 3,-0.5 0.875 114.5 41.8 -69.8 -38.3 -40.7 11.7 32.3 416 437 A Q H ><5S+ 0 0 102 -4,-2.3 3,-2.8 1,-0.2 -2,-0.2 0.966 111.9 52.7 -70.4 -54.3 -41.8 10.6 35.7 417 438 A F T 3<5S+ 0 0 168 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.248 107.9 53.1 -75.1 13.9 -45.2 12.3 35.7 418 439 A T T < 5S- 0 0 76 -3,-0.5 -1,-0.3 -176,-0.1 -2,-0.2 0.137 119.5-111.3-120.3 11.7 -46.1 10.7 32.4 419 440 A G T < 5 + 0 0 67 -3,-2.8 2,-0.2 1,-0.2 -3,-0.2 0.774 65.3 144.6 70.9 32.1 -45.2 7.2 33.8 420 441 A G < - 0 0 14 -5,-2.3 -1,-0.2 -6,-0.1 -2,-0.1 -0.561 32.9-149.1 -88.1 163.5 -42.1 6.3 31.9 421 442 A K - 0 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H X S+ 0 0 39 -4,-1.2 4,-1.9 -3,-0.4 -2,-0.2 0.914 113.6 46.3 -70.4 -45.3 -35.0 -10.1 31.4 432 453 A L H X S+ 0 0 26 -4,-3.0 4,-1.5 1,-0.2 -2,-0.2 0.800 108.6 58.7 -67.3 -29.7 -35.7 -11.1 35.0 433 454 A A H < S+ 0 0 58 -4,-1.5 -1,-0.2 -5,-0.3 -2,-0.2 0.901 107.5 44.4 -64.6 -45.0 -39.4 -11.7 34.0 434 455 A K H >< S+ 0 0 145 -4,-1.5 3,-1.4 1,-0.2 4,-0.4 0.890 113.6 51.1 -64.7 -40.8 -38.4 -14.3 31.3 435 456 A Q H 3< S+ 0 0 62 -4,-1.9 3,-0.4 1,-0.3 -2,-0.2 0.780 110.8 49.2 -66.9 -30.0 -36.0 -15.9 33.8 436 457 A E T 3< S+ 0 0 126 -4,-1.5 -1,-0.3 1,-0.2 -2,-0.2 0.071 98.0 69.6 -96.0 19.5 -38.8 -16.0 36.4 437 458 A A S < S+ 0 0 83 -3,-1.4 -1,-0.2 1,-0.1 -2,-0.2 0.432 95.4 54.2-107.8 -10.3 -41.2 -17.6 33.8 438 459 A E 0 0 149 -3,-0.4 -1,-0.1 -4,-0.4 -2,-0.1 -0.180 360.0 360.0-111.0 38.3 -39.2 -20.8 33.9 439 460 A Q 0 0 177 -3,-0.2 -3,-0.1 0, 0.0 -4,-0.0 -0.365 360.0 360.0-156.8 360.0 -39.5 -21.1 37.7