==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=7-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSPORT PROTEIN 27-FEB-09 2ZZW . COMPND 2 MOLECULE: ABC TRANSPORTER, SOLUTE-BINDING PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: THERMUS THERMOPHILUS; . AUTHOR N.AKIYAMA,K.TAKEDA,K.MIKI . 660 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 23661.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 493 74.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 46 7.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 42 6.4 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.3 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 . 2 0.3 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 0.2 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 . 33 5.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 85 12.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 236 35.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 17 2.6 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 1 4 3 0 4 2 0 0 0 0 0 4 0 0 2 0 0 0 0 0 0 0 0 0 0 2 RESIDUES PER ALPHA HELIX . 0 2 4 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 PARALLEL BRIDGES PER LADDER . 2 2 4 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 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 0 4 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 32 A R 0 0 210 0, 0.0 2,-0.4 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 159.7 21.5 56.6 53.2 2 33 A R - 0 0 150 34,-0.0 2,-0.4 2,-0.0 34,-0.2 -0.891 360.0-156.5-111.4 143.9 22.2 52.9 54.1 3 34 A Y E -a 36 0A 39 32,-3.0 34,-2.5 -2,-0.4 2,-0.4 -0.931 2.4-159.8-121.2 144.3 19.5 50.7 55.4 4 35 A R E -a 37 0A 44 -2,-0.4 2,-0.4 32,-0.2 34,-0.2 -0.990 7.4-168.3-128.8 121.9 19.9 47.5 57.5 5 36 A W E -a 38 0A 2 32,-3.0 34,-3.1 -2,-0.4 2,-0.6 -0.916 14.0-145.3-113.2 139.2 17.2 44.9 57.8 6 37 A R E +a 39 0A 110 -2,-0.4 56,-1.9 32,-0.2 57,-1.7 -0.914 25.8 178.1-102.0 119.1 17.0 42.0 60.3 7 38 A I E -ab 40 63A 0 32,-2.1 34,-1.5 -2,-0.6 2,-0.3 -0.986 14.7-159.1-129.4 125.3 15.5 38.9 58.7 8 39 A Q E -ab 41 64A 0 55,-1.4 57,-2.1 -2,-0.4 2,-0.3 -0.800 12.8-149.7-100.9 144.6 15.1 35.5 60.3 9 40 A T E - b 0 65A 0 32,-2.3 35,-0.2 -2,-0.3 9,-0.0 -0.737 23.6-125.9-110.8 161.8 14.6 32.4 58.1 10 41 A A S S+ 0 0 4 55,-2.4 2,-0.3 -2,-0.3 159,-0.2 0.620 85.5 100.5 -76.6 -13.9 12.8 29.1 58.7 11 42 A W S S- 0 0 1 54,-0.3 32,-2.2 6,-0.1 -2,-0.3 -0.584 75.7-128.0 -76.3 130.3 16.1 27.3 58.0 12 43 A D > - 0 0 38 -2,-0.3 3,-0.9 30,-0.2 6,-0.5 -0.480 32.7 -96.5 -75.3 148.8 18.0 26.1 61.1 13 44 A A T 3 S+ 0 0 60 30,-0.3 -1,-0.1 1,-0.2 3,-0.1 -0.302 112.4 39.7 -57.7 147.4 21.6 27.1 61.4 14 45 A G T 3 S+ 0 0 68 1,-0.3 2,-0.3 -3,-0.1 -1,-0.2 0.680 91.8 110.1 85.7 12.4 23.7 24.2 60.1 15 46 A T S <> S- 0 0 3 -3,-0.9 4,-1.8 1,-0.1 -1,-0.3 -0.831 79.7-116.5-116.7 160.4 21.5 23.3 57.2 16 47 A V H > S+ 0 0 37 -2,-0.3 4,-2.0 1,-0.2 5,-0.2 0.851 117.2 59.5 -61.3 -34.6 22.2 23.7 53.5 17 48 A G H > S+ 0 0 0 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.916 103.5 48.0 -62.5 -43.7 19.2 26.1 53.5 18 49 A Y H > S+ 0 0 24 -6,-0.5 4,-2.6 1,-0.2 -1,-0.2 0.900 109.2 54.2 -64.9 -38.6 20.8 28.4 56.0 19 50 A S H X S+ 0 0 50 -4,-1.8 4,-1.7 2,-0.2 -1,-0.2 0.899 109.9 47.0 -60.0 -41.9 24.1 28.5 54.1 20 51 A L H X S+ 0 0 23 -4,-2.0 4,-1.7 1,-0.2 -1,-0.2 0.898 111.4 52.1 -66.1 -38.8 22.2 29.5 50.9 21 52 A F H X S+ 0 0 0 -4,-2.1 4,-1.7 1,-0.2 -2,-0.2 0.894 105.7 54.5 -65.8 -39.8 20.3 32.2 53.0 22 53 A Q H X S+ 0 0 81 -4,-2.6 4,-1.1 1,-0.2 -1,-0.2 0.936 108.2 49.0 -59.5 -45.1 23.6 33.6 54.3 23 54 A K H X S+ 0 0 124 -4,-1.7 4,-2.3 1,-0.2 -1,-0.2 0.845 103.4 61.3 -64.1 -33.9 24.9 34.0 50.7 24 55 A F H X S+ 0 0 3 -4,-1.7 4,-2.5 1,-0.2 -1,-0.2 0.911 100.0 54.6 -58.6 -42.9 21.7 35.8 49.7 25 56 A T H X S+ 0 0 15 -4,-1.7 4,-1.5 1,-0.2 13,-0.4 0.884 109.2 47.9 -60.2 -35.0 22.4 38.5 52.3 26 57 A E H X S+ 0 0 125 -4,-1.1 4,-2.1 1,-0.2 -1,-0.2 0.904 110.2 52.6 -70.7 -40.1 25.8 39.1 50.7 27 58 A R H X S+ 0 0 39 -4,-2.3 4,-2.8 1,-0.2 -2,-0.2 0.899 106.4 52.5 -62.2 -41.2 24.2 39.2 47.2 28 59 A V H X S+ 0 0 0 -4,-2.5 4,-1.3 1,-0.2 6,-0.3 0.904 108.9 50.6 -60.6 -42.5 21.7 41.9 48.3 29 60 A K H <>S+ 0 0 101 -4,-1.5 5,-2.8 -5,-0.2 6,-0.3 0.914 112.4 46.8 -62.6 -41.8 24.5 44.0 49.6 30 61 A E H ><5S+ 0 0 76 -4,-2.1 3,-1.1 1,-0.2 -2,-0.2 0.922 111.2 51.2 -67.2 -41.8 26.4 43.6 46.3 31 62 A L H 3<5S+ 0 0 5 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.700 116.2 40.0 -69.5 -21.4 23.2 44.4 44.2 32 63 A T T ><5S- 0 0 1 -4,-1.3 3,-2.0 -3,-0.2 -1,-0.2 0.190 111.2-116.1-111.0 13.1 22.5 47.6 46.1 33 64 A D T < 5S- 0 0 77 -3,-1.1 -3,-0.2 1,-0.3 -4,-0.1 0.836 75.7 -53.6 55.1 35.1 26.1 48.8 46.4 34 65 A G T 3 - 0 0 31 0, 0.0 3,-2.2 0, 0.0 4,-0.4 -0.310 50.3 -63.7 -74.9 165.2 18.7 31.3 61.8 43 74 A A T 3 S+ 0 0 15 -32,-2.2 -30,-0.3 1,-0.3 -33,-0.1 -0.197 121.8 8.6 -51.1 130.4 15.5 29.7 62.9 44 75 A G T 3 S+ 0 0 44 3,-0.7 -1,-0.3 -35,-0.2 4,-0.1 0.388 92.1 112.7 81.2 -1.7 14.6 30.5 66.5 45 76 A A S < S+ 0 0 62 -3,-2.2 -2,-0.1 1,-0.1 3,-0.1 0.915 95.4 14.6 -71.2 -43.7 17.3 33.1 67.2 46 77 A V S S- 0 0 61 1,-0.4 2,-0.3 -4,-0.4 -1,-0.1 0.877 140.8 -14.7 -93.3 -53.2 15.0 36.1 67.5 47 78 A V S S- 0 0 38 1,-0.0 -3,-0.7 2,-0.0 -1,-0.4 -0.896 84.8 -75.9-142.5 169.4 11.6 34.3 67.9 48 79 A G > - 0 0 33 -2,-0.3 3,-1.1 1,-0.1 4,-0.3 -0.330 51.8-107.5 -64.0 155.6 10.2 30.8 67.4 49 80 A T G > S+ 0 0 14 1,-0.3 3,-1.5 2,-0.2 4,-0.3 0.902 119.8 46.9 -52.7 -47.3 9.6 30.0 63.7 50 81 A F G 3 S+ 0 0 54 1,-0.3 4,-0.3 2,-0.1 -1,-0.3 0.615 106.7 60.9 -75.2 -8.7 5.8 30.2 63.9 51 82 A D G <> S+ 0 0 94 -3,-1.1 4,-1.7 1,-0.2 -1,-0.3 0.408 77.8 90.8 -93.8 0.5 6.1 33.5 65.8 52 83 A M H <> S+ 0 0 0 -3,-1.5 4,-2.7 -4,-0.3 5,-0.3 0.907 77.4 62.1 -61.7 -41.9 7.9 35.2 63.0 53 84 A F H > S+ 0 0 0 -4,-0.3 4,-2.1 -3,-0.3 -1,-0.2 0.927 109.2 39.2 -49.2 -56.4 4.6 36.5 61.4 54 85 A D H > S+ 0 0 68 -4,-0.3 4,-2.1 1,-0.2 6,-0.2 0.881 113.9 54.7 -65.7 -37.4 3.7 38.6 64.5 55 86 A A H X>S+ 0 0 9 -4,-1.7 6,-1.9 1,-0.2 4,-0.9 0.868 111.1 45.1 -66.4 -34.5 7.3 39.8 65.1 56 87 A V H <5S+ 0 0 0 -4,-2.7 -1,-0.2 4,-0.2 -2,-0.2 0.880 110.0 55.9 -75.1 -34.1 7.6 41.0 61.5 57 88 A K H <5S+ 0 0 82 -4,-2.1 -2,-0.2 -5,-0.3 -1,-0.2 0.886 111.1 43.6 -63.0 -37.5 4.1 42.7 61.8 58 89 A T H <5S- 0 0 105 -4,-2.1 -1,-0.2 -5,-0.1 -2,-0.2 0.691 113.6-118.2 -81.5 -17.3 5.3 44.7 64.8 59 90 A G T <5S+ 0 0 27 -4,-0.9 -3,-0.2 2,-0.3 -4,-0.1 0.393 82.1 121.6 96.1 -5.2 8.6 45.5 63.2 60 91 A V S -D 221 0A 1 154,-0.2 3,-2.1 1,-0.1 154,-0.3 -0.898 46.6-134.4 -90.4 119.6 7.7 28.4 54.3 68 99 A T G > S+ 0 0 0 152,-1.2 3,-1.6 -2,-0.7 -1,-0.1 0.796 95.8 64.4 -52.0 -38.8 4.6 30.3 53.2 69 100 A L G > S+ 0 0 8 151,-0.4 3,-1.9 1,-0.3 -1,-0.3 0.551 77.1 89.8 -67.7 -1.2 1.9 27.8 54.2 70 101 A Y G < S+ 0 0 27 -3,-2.1 3,-0.4 1,-0.3 -1,-0.3 0.765 85.2 54.3 -63.8 -21.2 3.0 28.2 57.9 71 102 A W G X> S+ 0 0 5 -3,-1.6 4,-3.0 1,-0.2 3,-1.7 0.343 72.3 112.8 -95.1 11.0 0.4 31.0 58.1 72 103 A A T <4 S+ 0 0 2 -3,-1.9 -1,-0.2 1,-0.3 7,-0.2 0.777 72.4 57.6 -54.0 -30.6 -2.5 28.8 56.8 73 104 A G T 34 S+ 0 0 78 -3,-0.4 -1,-0.3 -4,-0.2 -2,-0.1 0.772 120.5 26.3 -73.4 -25.5 -4.2 28.9 60.2 74 105 A R T <4 S+ 0 0 105 -3,-1.7 -2,-0.2 1,-0.2 -1,-0.2 0.665 130.9 36.1-108.1 -24.9 -4.4 32.7 60.2 75 106 A M >< - 0 0 6 -4,-3.0 3,-2.3 1,-0.1 4,-0.4 -0.832 67.3-164.6-131.0 90.7 -4.4 33.6 56.4 76 107 A P G > S+ 0 0 17 0, 0.0 3,-1.6 0, 0.0 4,-0.3 0.809 85.1 65.8 -44.7 -37.1 -6.3 30.9 54.5 77 108 A V G > S+ 0 0 1 1,-0.3 3,-2.3 2,-0.2 4,-0.3 0.813 85.3 70.6 -61.8 -27.6 -4.8 32.1 51.2 78 109 A T G X S+ 0 0 0 -3,-2.3 3,-0.9 1,-0.3 -1,-0.3 0.735 85.6 66.8 -65.3 -17.9 -1.3 31.0 52.3 79 110 A A G < S+ 0 0 5 -3,-1.6 -1,-0.3 -4,-0.4 3,-0.2 0.674 107.1 43.3 -70.1 -17.2 -2.4 27.3 52.0 80 111 A F G < S+ 0 0 0 -3,-2.3 -1,-0.2 -4,-0.3 -2,-0.2 0.338 98.5 71.3-108.1 4.0 -2.6 28.2 48.2 81 112 A L S < S+ 0 0 0 -3,-0.9 2,-0.3 -4,-0.3 -13,-0.2 0.264 106.8 36.9 -99.9 8.3 0.6 30.2 48.1 82 113 A S S S- 0 0 0 -3,-0.2 137,-0.2 -14,-0.1 -15,-0.0 -0.943 109.7 -70.9-149.0 159.2 2.6 26.9 48.4 83 114 A S - 0 0 0 135,-2.3 2,-0.3 -2,-0.3 -2,-0.1 -0.144 45.3-166.7 -60.0 145.8 1.8 23.4 47.0 84 115 A Y > - 0 0 2 4,-0.2 3,-1.7 -4,-0.1 132,-0.1 -0.872 44.7 -54.2-126.3 162.5 -1.1 21.4 48.4 85 116 A A T 3 S- 0 0 0 -2,-0.3 130,-0.2 1,-0.2 129,-0.1 -0.079 112.3 -17.3 -48.1 122.8 -1.8 17.7 47.8 86 117 A L T 3 S+ 0 0 12 128,-1.5 -1,-0.2 127,-0.3 3,-0.1 0.579 106.3 109.5 58.8 21.1 -2.0 16.5 44.2 87 118 A G S < S- 0 0 0 -3,-1.7 -1,-0.1 1,-0.3 -4,-0.1 0.135 83.1 -13.7 -96.1-145.5 -2.5 20.0 42.6 88 119 A L + 0 0 0 1,-0.1 -1,-0.3 -3,-0.1 -4,-0.2 -0.354 67.7 179.4 -54.5 132.6 0.1 21.8 40.5 89 120 A D + 0 0 47 -3,-0.1 -1,-0.1 128,-0.1 124,-0.1 0.236 42.2 80.5-130.8 17.3 3.4 19.9 41.1 90 121 A R S >> S- 0 0 81 1,-0.1 4,-1.6 128,-0.1 3,-1.0 -0.964 72.6-127.2-125.1 144.0 6.2 21.4 39.1 91 122 A P H 3> S+ 0 0 12 0, 0.0 4,-2.1 0, 0.0 5,-0.2 0.901 111.4 55.3 -51.3 -42.2 8.3 24.5 40.0 92 123 A D H 3> S+ 0 0 12 1,-0.2 4,-2.1 2,-0.2 5,-0.1 0.794 103.6 55.1 -64.6 -27.2 7.6 26.0 36.5 93 124 A Q H <> S+ 0 0 12 -3,-1.0 4,-2.5 2,-0.2 -1,-0.2 0.903 110.5 43.7 -72.7 -41.3 3.8 25.7 37.1 94 125 A W H X S+ 0 0 0 -4,-1.6 4,-2.5 2,-0.2 5,-0.2 0.869 112.9 53.0 -69.7 -34.6 4.0 27.7 40.4 95 126 A E H X S+ 0 0 0 -4,-2.1 4,-2.8 -5,-0.2 -2,-0.2 0.918 111.1 47.2 -66.4 -43.7 6.3 30.2 38.8 96 127 A T H X>S+ 0 0 0 -4,-2.1 4,-2.0 2,-0.2 5,-1.6 0.931 111.7 49.5 -63.5 -46.0 3.8 30.6 35.9 97 128 A W H <5S+ 0 0 0 -4,-2.5 6,-2.5 3,-0.2 4,-0.3 0.923 117.4 40.7 -60.8 -45.0 0.8 31.0 38.2 98 129 A F H <5S+ 0 0 3 -4,-2.5 6,-2.1 5,-0.2 7,-0.3 0.944 122.4 38.1 -67.8 -49.0 2.6 33.6 40.4 99 130 A Y H <5S+ 0 0 39 -4,-2.8 -2,-0.2 -5,-0.2 -1,-0.2 0.555 134.3 9.0 -89.8 -7.5 4.3 35.6 37.6 100 131 A S T <5S+ 0 0 23 -4,-2.0 -3,-0.2 -5,-0.2 -2,-0.1 0.519 120.1 59.0-139.1 -22.8 1.8 35.7 34.8 101 132 A L S S+ 0 0 35 -4,-0.3 4,-1.5 3,-0.0 3,-0.2 0.349 84.9 124.0 99.7 -5.3 -2.1 36.8 38.8 103 134 A G H > S+ 0 0 0 -6,-2.5 4,-2.2 1,-0.2 -5,-0.2 0.884 71.7 53.7 -56.9 -45.4 -0.8 34.9 41.8 104 135 A L H > S+ 0 0 26 -6,-2.1 4,-2.5 -7,-0.3 -1,-0.2 0.909 107.6 51.7 -59.0 -41.7 1.7 37.4 43.0 105 136 A D H > S+ 0 0 96 -7,-0.3 4,-2.2 -3,-0.2 -1,-0.2 0.859 107.9 51.9 -65.1 -34.3 -0.9 40.2 43.1 106 137 A I H X S+ 0 0 4 -4,-1.5 4,-2.6 2,-0.2 5,-0.2 0.956 111.0 47.9 -65.3 -46.6 -3.2 38.1 45.2 107 138 A A H X S+ 0 0 0 -4,-2.2 4,-2.6 1,-0.2 5,-0.3 0.923 111.7 50.1 -59.2 -45.4 -0.5 37.4 47.7 108 139 A R H X S+ 0 0 60 -4,-2.5 4,-2.0 -5,-0.2 -1,-0.2 0.905 111.5 47.0 -64.2 -40.4 0.5 41.1 47.9 109 140 A R H X S+ 0 0 85 -4,-2.2 4,-1.4 2,-0.2 -1,-0.2 0.940 113.6 48.4 -65.8 -45.5 -3.1 42.3 48.5 110 141 A A H < S+ 0 0 1 -4,-2.6 4,-0.4 1,-0.2 3,-0.3 0.934 115.3 43.5 -60.8 -46.6 -3.7 39.7 51.2 111 142 A F H ><>S+ 0 0 0 -4,-2.6 5,-2.1 1,-0.2 3,-1.5 0.850 104.7 62.8 -68.9 -33.9 -0.5 40.4 53.0 112 143 A A H ><5S+ 0 0 38 -4,-2.0 3,-2.0 -5,-0.3 -1,-0.2 0.895 97.8 58.7 -58.1 -36.2 -0.8 44.2 52.8 113 144 A E T 3<5S+ 0 0 112 -4,-1.4 -1,-0.3 1,-0.3 -2,-0.2 0.700 105.0 50.5 -64.5 -20.2 -4.0 43.8 54.8 114 145 A Q T < 5S- 0 0 54 -3,-1.5 -1,-0.3 -4,-0.4 -2,-0.2 0.269 124.6-104.1 -98.5 6.3 -1.9 42.2 57.6 115 146 A G T < 5S+ 0 0 28 -3,-2.0 112,-2.1 1,-0.3 113,-0.4 0.839 85.6 117.1 73.6 33.4 0.6 45.1 57.4 116 147 A L E < -E 226 0A 0 -5,-2.1 2,-0.7 110,-0.2 -1,-0.3 -0.959 60.1-137.0-134.0 148.8 3.2 43.0 55.5 117 148 A F E -E 225 0A 27 108,-3.8 108,-2.8 -2,-0.3 2,-0.7 -0.915 13.9-152.8-110.5 111.7 4.8 43.2 52.1 118 149 A Y E -E 224 0A 0 -2,-0.7 106,-0.2 106,-0.2 -6,-0.1 -0.716 12.4-173.9 -80.2 114.2 5.0 39.9 50.3 119 150 A V E - 0 0 1 104,-2.7 -1,-0.2 -2,-0.7 105,-0.1 0.976 50.1 -66.3 -75.5 -57.9 8.0 40.3 48.0 120 151 A G E -E 223 0A 1 103,-0.7 103,-1.2 -13,-0.1 -1,-0.3 -0.948 53.5 -72.2 176.3 166.1 7.8 37.0 46.1 121 152 A P E -E 222 0A 0 0, 0.0 2,-0.5 0, 0.0 101,-0.3 -0.442 33.0-144.7 -76.6 150.5 8.1 33.2 46.3 122 153 A V E -E 221 0A 0 99,-2.6 99,-2.6 -2,-0.1 127,-0.1 -0.974 21.0-130.4-115.6 115.3 11.4 31.4 46.7 123 154 A Q + 0 0 1 -2,-0.5 130,-0.1 97,-0.2 97,-0.1 -0.291 40.9 152.2 -64.0 153.0 11.6 28.1 44.9 124 155 A H - 0 0 0 1,-0.1 2,-0.3 128,-0.1 133,-0.1 0.421 39.3 -73.0-146.6 -74.6 12.8 25.2 46.9 125 156 A D - 0 0 9 94,-0.3 94,-2.8 131,-0.1 -1,-0.1 -0.978 39.5 -84.7 176.7 174.5 12.0 21.4 46.6 126 157 A L - 0 0 44 -2,-0.3 2,-0.3 92,-0.2 92,-0.1 -0.345 49.5-121.0 -88.2-179.9 9.4 18.7 47.0 127 158 A N - 0 0 2 89,-1.2 2,-0.3 -2,-0.1 61,-0.3 -0.934 19.7-158.0-126.3 154.1 9.2 17.1 50.5 128 159 A I - 0 0 1 59,-2.4 58,-1.2 -2,-0.3 2,-0.4 -0.780 15.4-124.1-123.2 169.8 9.7 13.5 51.7 129 160 A I E -FG 185 205B 6 76,-1.2 76,-2.5 -2,-0.3 2,-0.4 -0.943 12.0-154.6-120.6 139.4 8.5 11.7 54.8 130 161 A H E -FG 184 204B 0 54,-3.0 54,-3.0 -2,-0.4 2,-0.4 -0.938 18.4-174.2-111.7 134.6 10.6 9.8 57.4 131 162 A S E -FG 183 203B 2 72,-2.2 72,-2.0 -2,-0.4 52,-0.2 -0.982 33.3-151.3-135.9 142.5 9.0 7.0 59.4 132 163 A K S S+ 0 0 76 50,-3.0 51,-0.1 -2,-0.4 70,-0.1 0.680 92.8 42.6 -79.5 -19.4 9.9 4.7 62.2 133 164 A K S S- 0 0 156 49,-0.5 2,-0.4 70,-0.1 70,-0.1 -0.946 99.9 -93.1-128.6 151.1 7.6 2.1 60.8 134 165 A P - 0 0 50 0, 0.0 2,-0.7 0, 0.0 -2,-0.1 -0.443 32.1-172.7 -65.2 116.6 6.9 0.9 57.3 135 166 A I + 0 0 4 -2,-0.4 3,-0.1 1,-0.1 140,-0.1 -0.934 17.9 160.1-109.3 104.7 4.1 2.7 55.6 136 167 A R + 0 0 116 -2,-0.7 2,-0.3 1,-0.1 -1,-0.1 0.496 57.2 19.3-108.1 -4.9 3.6 0.7 52.4 137 168 A R S > S- 0 0 133 140,-0.1 3,-1.9 1,-0.1 4,-0.3 -0.969 86.5 -91.9-156.5 166.8 0.1 1.6 51.3 138 169 A F G > S+ 0 0 31 -2,-0.3 3,-1.7 1,-0.3 4,-0.2 0.863 120.5 56.9 -49.0 -46.0 -2.6 4.1 51.8 139 170 A E G > S+ 0 0 47 1,-0.3 3,-0.9 2,-0.2 -1,-0.3 0.647 91.1 72.5 -65.4 -16.4 -4.2 2.2 54.6 140 171 A D G < S+ 0 0 53 -3,-1.9 -1,-0.3 1,-0.2 -2,-0.2 0.570 81.2 72.6 -76.3 -7.5 -1.0 2.1 56.6 141 172 A F G X S+ 0 0 2 -3,-1.7 3,-2.1 -4,-0.3 -1,-0.2 0.729 71.0 109.3 -78.1 -18.1 -1.4 5.9 57.4 142 173 A K T < S+ 0 0 140 -3,-0.9 20,-0.2 1,-0.3 19,-0.1 -0.362 90.9 5.6 -61.7 124.2 -4.3 5.0 59.8 143 174 A G T 3 S+ 0 0 53 18,-2.8 2,-0.4 1,-0.3 -1,-0.3 0.456 91.8 139.8 84.1 -2.3 -3.1 5.6 63.4 144 175 A V < - 0 0 15 -3,-2.1 19,-2.5 17,-0.1 2,-1.0 -0.634 51.3-138.6 -78.7 127.2 0.3 7.1 62.4 145 176 A K E -h 163 0B 102 -2,-0.4 37,-2.3 17,-0.2 38,-1.9 -0.790 36.5-175.9 -85.6 108.4 1.2 10.1 64.6 146 177 A L E -hi 164 183B 0 17,-2.3 19,-2.0 -2,-1.0 2,-0.4 -0.926 26.2-143.0-118.7 127.4 2.6 12.3 61.9 147 178 A R E +hi 165 184B 2 36,-2.2 38,-2.4 -2,-0.5 19,-0.2 -0.724 35.9 155.1 -84.8 133.3 4.3 15.7 62.0 148 179 A V - 0 0 0 17,-2.2 2,-0.6 -2,-0.4 19,-0.4 -0.929 57.0 -94.8-148.8 165.4 3.3 17.9 59.1 149 180 A P - 0 0 7 0, 0.0 4,-0.1 0, 0.0 17,-0.1 -0.019 59.6-126.4 -81.5 37.3 3.1 21.7 58.6 150 181 A G S >> S+ 0 0 14 -2,-0.6 4,-2.2 15,-0.3 3,-0.8 -0.148 71.6 79.9 59.4-151.6 -0.6 22.0 59.5 151 182 A G H 3> S- 0 0 24 1,-0.2 4,-1.9 2,-0.2 -1,-0.1 -0.104 113.5 -21.8 54.3-143.5 -3.0 23.7 57.2 152 183 A M H 3> S+ 0 0 4 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.759 136.4 61.7 -71.4 -26.9 -4.4 21.7 54.3 153 184 A I H <> S+ 0 0 4 -3,-0.8 4,-1.7 2,-0.2 -2,-0.2 0.942 108.0 43.4 -64.5 -47.0 -1.4 19.4 54.3 154 185 A A H X S+ 0 0 11 -4,-2.2 4,-2.4 1,-0.2 -2,-0.2 0.901 110.9 55.7 -64.8 -41.6 -2.4 18.2 57.8 155 186 A E H X S+ 0 0 48 -4,-1.9 4,-1.9 1,-0.2 -1,-0.2 0.906 105.7 51.0 -60.9 -40.7 -6.0 18.0 56.9 156 187 A V H X S+ 0 0 2 -4,-2.1 4,-0.6 1,-0.2 -1,-0.2 0.925 112.4 45.4 -62.7 -44.7 -5.4 15.7 54.0 157 188 A F H ><>S+ 0 0 2 -4,-1.7 5,-2.2 1,-0.2 3,-0.6 0.860 110.7 54.3 -67.9 -33.0 -3.3 13.2 56.1 158 189 A A H ><5S+ 0 0 46 -4,-2.4 3,-1.7 1,-0.3 -1,-0.2 0.854 102.9 56.5 -68.2 -33.8 -5.9 13.4 58.9 159 190 A A H 3<5S+ 0 0 49 -4,-1.9 -1,-0.3 1,-0.3 -2,-0.2 0.699 103.3 56.4 -69.3 -18.0 -8.6 12.4 56.3 160 191 A A T <<5S- 0 0 5 -3,-0.6 -1,-0.3 -4,-0.6 -2,-0.2 0.256 129.8 -96.6 -94.1 8.3 -6.4 9.3 55.7 161 192 A G T < 5S+ 0 0 35 -3,-1.7 -18,-2.8 1,-0.3 -3,-0.2 0.490 78.5 137.3 93.3 3.8 -6.5 8.4 59.3 162 193 A A < - 0 0 7 -5,-2.2 2,-0.8 -20,-0.2 -1,-0.3 -0.527 54.6-130.0 -85.0 151.3 -3.3 9.9 60.6 163 194 A S E -h 145 0B 70 -19,-2.5 -17,-2.3 -22,-0.2 2,-0.2 -0.895 36.1-153.6 -96.5 109.0 -3.1 11.8 63.9 164 195 A T E -h 146 0B 54 -2,-0.8 2,-0.3 -19,-0.2 -17,-0.2 -0.518 17.1-176.2 -91.0 153.4 -1.3 15.0 62.8 165 196 A V E -h 147 0B 52 -19,-2.0 -17,-2.2 -2,-0.2 2,-0.5 -0.991 19.9-133.7-144.2 148.7 0.9 17.3 64.9 166 197 A L + 0 0 86 -2,-0.3 -19,-0.1 -19,-0.2 -2,-0.0 -0.919 35.2 153.2-108.2 124.9 2.6 20.5 64.1 167 198 A L - 0 0 31 -2,-0.5 2,-0.1 -19,-0.4 5,-0.1 -0.985 47.0-105.1-145.6 149.9 6.2 21.0 65.2 168 199 A P > - 0 0 25 0, 0.0 3,-2.0 0, 0.0 4,-0.4 -0.432 41.7-107.8 -69.9 156.4 9.0 23.2 63.8 169 200 A G G >> S+ 0 0 5 1,-0.3 3,-1.3 2,-0.2 4,-0.5 0.828 117.7 64.0 -54.6 -34.1 11.6 21.2 61.8 170 201 A G G 34 S+ 0 0 36 1,-0.2 -1,-0.3 2,-0.1 3,-0.1 0.644 101.1 50.6 -65.7 -16.0 14.1 21.6 64.5 171 202 A E G <> S+ 0 0 100 -3,-2.0 4,-1.5 1,-0.1 -1,-0.2 0.436 88.4 83.5-101.1 -1.6 11.9 19.6 67.0 172 203 A V H <> S+ 0 0 0 -3,-1.3 4,-2.4 -4,-0.4 5,-0.3 0.907 85.0 54.7 -68.4 -42.7 11.4 16.7 64.7 173 204 A Y H X S+ 0 0 78 -4,-0.5 4,-2.6 1,-0.2 5,-0.2 0.943 111.8 42.3 -58.1 -52.9 14.6 14.8 65.5 174 205 A P H > S+ 0 0 29 0, 0.0 4,-2.3 0, 0.0 6,-0.2 0.887 113.2 54.6 -63.8 -35.3 14.1 14.7 69.3 175 206 A A H X>S+ 0 0 8 -4,-1.5 5,-2.8 1,-0.2 6,-1.1 0.889 113.0 41.1 -64.0 -41.9 10.4 13.8 68.8 176 207 A L H <5S+ 0 0 0 -4,-2.4 3,-0.4 3,-0.2 -1,-0.2 0.880 112.2 56.1 -72.9 -38.8 11.2 10.8 66.6 177 208 A E H <5S+ 0 0 113 -4,-2.6 -2,-0.2 -5,-0.3 -1,-0.2 0.919 114.0 39.7 -59.0 -43.7 14.1 9.8 68.9 178 209 A R H <5S- 0 0 184 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.575 112.2-119.7 -83.6 -8.1 11.8 9.7 71.9 179 210 A G T <5S+ 0 0 39 -4,-0.5 -3,-0.2 -3,-0.4 -4,-0.1 0.817 71.5 135.7 74.2 28.4 9.0 8.1 69.9 180 211 A V S - 0 0 0 -61,-0.3 4,-1.7 -2,-0.1 -1,-0.3 -0.109 64.3 -86.1 -82.3-176.8 13.7 17.3 51.0 189 220 A P H > S+ 0 0 2 0, 0.0 4,-1.6 0, 0.0 5,-0.1 0.865 116.1 51.9 -58.2 -45.5 16.4 14.7 51.5 190 221 A A H > S+ 0 0 5 2,-0.2 4,-2.0 66,-0.2 5,-0.1 0.929 114.2 38.6 -64.3 -48.7 19.5 16.9 52.0 191 222 A V H > S+ 0 0 3 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.894 113.1 56.1 -71.0 -37.0 18.2 19.1 54.8 192 223 A N H <>S+ 0 0 0 -4,-1.7 5,-2.1 1,-0.2 6,-0.2 0.875 109.3 49.5 -59.8 -34.0 16.4 16.3 56.5 193 224 A Y H ><5S+ 0 0 64 -4,-1.6 3,-1.9 1,-0.2 -1,-0.2 0.897 105.1 55.4 -70.5 -42.0 19.8 14.5 56.5 194 225 A N H 3<5S+ 0 0 66 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.858 109.1 49.9 -55.5 -36.7 21.5 17.7 58.0 195 226 A L T 3<5S- 0 0 35 -4,-1.9 -1,-0.3 -5,-0.1 -2,-0.2 0.389 115.7-120.4 -85.9 2.5 18.9 17.4 60.8 196 227 A G T X>5 + 0 0 9 -3,-1.9 3,-2.0 -5,-0.1 4,-0.6 0.613 60.4 147.6 72.0 19.6 19.7 13.7 61.3 197 228 A F H >>< + 0 0 0 -5,-2.1 3,-1.2 1,-0.3 4,-0.8 0.823 67.2 65.6 -55.9 -33.0 16.2 12.1 60.6 198 229 A H H 34 S+ 0 0 25 -6,-0.2 -1,-0.3 1,-0.2 -5,-0.1 0.706 96.9 55.6 -62.2 -21.4 17.9 9.0 59.1 199 230 A Q H <4 S+ 0 0 151 -3,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.655 116.2 34.3 -87.8 -13.3 19.3 8.1 62.5 200 231 A V H << S+ 0 0 14 -3,-1.2 2,-0.3 -4,-0.6 -2,-0.2 0.318 121.6 45.1-120.6 5.1 16.0 8.1 64.3 201 232 A A < - 0 0 4 -4,-0.8 -1,-0.3 1,-0.1 -69,-0.2 -0.931 59.5-163.3-150.5 122.9 13.8 6.8 61.5 202 233 A K + 0 0 50 -2,-0.3 71,-2.2 -71,-0.2 2,-0.3 0.518 69.4 60.4 -88.2 -5.6 14.7 3.8 59.3 203 234 A Y E -Gj 131 273B 55 -72,-2.0 -72,-2.2 69,-0.2 2,-0.4 -0.883 56.9-158.1-124.0 156.1 12.2 4.4 56.4 204 235 A I E -Gj 130 274B 0 69,-2.3 71,-3.8 -2,-0.3 2,-0.5 -0.995 17.2-153.6-125.8 129.3 11.5 7.1 53.9 205 236 A I E +Gj 129 275B 4 -76,-2.5 -76,-1.2 -2,-0.4 2,-0.3 -0.941 22.8 164.0-109.5 122.6 8.0 7.1 52.5 206 237 A M E - j 0 276B 20 69,-2.7 71,-2.7 -2,-0.5 7,-0.2 -0.856 37.2-104.0-132.2 165.4 7.5 8.6 49.0 207 238 A G - 0 0 3 5,-3.0 72,-0.1 -2,-0.3 71,-0.1 -0.229 56.4 -73.4 -78.9 177.5 4.8 8.5 46.3 208 239 A P > - 0 0 4 0, 0.0 3,-1.6 0, 0.0 -1,-0.2 -0.160 54.3 -91.9 -66.5 167.2 5.2 6.4 43.1 209 240 A P T 3 S+ 0 0 96 0, 0.0 -2,-0.1 0, 0.0 69,-0.1 0.803 129.1 53.9 -49.4 -34.0 7.6 7.5 40.3 210 241 A E T 3 S+ 0 0 119 1,-0.3 3,-0.1 2,-0.1 -3,-0.0 0.744 125.8 20.5 -74.5 -25.8 4.7 9.3 38.7 211 242 A T < + 0 0 26 -3,-1.6 -1,-0.3 1,-0.1 3,-0.1 -0.546 69.4 170.3-144.4 70.8 3.9 11.3 41.8 212 243 A P S S+ 0 0 47 0, 0.0 -5,-3.0 0, 0.0 2,-0.6 0.830 76.7 41.4 -51.6 -40.1 7.0 11.3 44.1 213 244 A A + 0 0 8 -7,-0.2 -127,-0.3 1,-0.2 -85,-0.1 -0.935 61.0 174.5-119.7 110.2 5.5 13.9 46.4 214 245 A I S S+ 0 0 9 -2,-0.6 -128,-1.5 2,-0.1 -1,-0.2 0.885 82.1 25.8 -77.8 -41.1 1.8 13.4 47.2 215 246 A H S S+ 0 0 8 -130,-0.2 -128,-0.1 1,-0.2 -1,-0.1 0.886 132.3 17.4 -94.1 -45.0 1.5 16.3 49.7 216 247 A Q + 0 0 2 -89,-0.3 -89,-1.2 1,-0.1 3,-0.4 -0.670 57.8 154.4-134.9 79.4 4.1 18.9 49.0 217 248 A P S S+ 0 0 15 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.752 83.9 30.7 -76.4 -23.4 5.7 18.8 45.6 218 249 A V S S- 0 0 1 -130,-0.2 -135,-2.3 -128,-0.1 2,-1.5 -0.720 73.2-173.0-139.9 83.5 6.6 22.5 45.5 219 250 A D - 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0 0 73 -2,-0.3 4,-0.7 1,-0.1 3,-0.1 -0.861 24.2-123.4-117.3 152.9 20.1 3.6 32.2 653 353 B D T >4 S+ 0 0 123 -2,-0.3 3,-0.9 1,-0.2 4,-0.2 0.882 111.7 62.9 -60.1 -34.0 23.5 2.0 31.9 654 354 B E G >4 S+ 0 0 79 1,-0.3 3,-1.7 2,-0.2 -1,-0.2 0.940 103.6 43.5 -56.8 -51.4 21.7 -0.7 29.8 655 355 B E G 34 S+ 0 0 63 1,-0.3 -1,-0.3 -3,-0.1 -2,-0.2 0.581 109.4 59.8 -73.9 -5.5 20.7 1.8 27.1 656 356 B L G X< S+ 0 0 14 -3,-0.9 3,-2.7 -4,-0.7 -1,-0.3 0.362 75.2 138.0 -98.6 2.7 24.2 3.3 27.2 657 357 B K T < S+ 0 0 80 -3,-1.7 3,-0.1 1,-0.3 -3,-0.1 -0.237 76.1 9.1 -51.3 125.1 25.8 -0.1 26.3 658 358 B G T 3 S+ 0 0 90 1,-0.2 2,-0.4 0, 0.0 -1,-0.3 0.434 107.5 105.3 83.7 -3.9 28.5 0.4 23.8 659 359 B L < + 0 0 47 -3,-2.7 2,-0.3 -34,-0.0 -1,-0.2 -0.917 42.6 151.3-112.7 137.7 28.5 4.3 24.1 660 360 B S 0 0 77 -2,-0.4 -3,-0.0 1,-0.1 0, 0.0 -0.989 360.0 360.0-165.2 153.6 31.2 6.2 26.0 661 361 B L 0 0 88 -2,-0.3 -1,-0.1 -22,-0.0 -26,-0.0 0.867 360.0 360.0 -96.4 360.0 33.1 9.4 26.5