==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSPORT PROTEIN 27-FEB-09 2ZZX . COMPND 2 MOLECULE: ABC TRANSPORTER, SOLUTE-BINDING PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: THERMUS THERMOPHILUS; . AUTHOR N.AKIYAMA,K.TAKEDA,K.MIKI . 1313 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 46137.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 980 74.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 92 7.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 84 6.4 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 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 . 4 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 0.1 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 . 61 4.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 167 12.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 473 36.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 36 2.7 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 4 0 13 3 0 8 4 0 0 0 0 0 7 1 0 4 0 0 0 0 0 0 0 0 0 0 4 RESIDUES PER ALPHA HELIX . 0 4 8 4 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 PARALLEL BRIDGES PER LADDER . 4 4 8 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 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 0 8 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 0 219 0, 0.0 2,-0.4 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 148.5 51.5 32.9 32.9 2 33 A R - 0 0 141 34,-0.0 2,-0.4 2,-0.0 34,-0.2 -0.859 360.0-158.5-108.9 136.7 48.4 30.8 32.7 3 34 A Y E -a 36 0A 43 32,-3.1 34,-2.9 -2,-0.4 2,-0.5 -0.889 6.6-157.7-111.0 139.6 46.2 29.6 35.6 4 35 A R E -a 37 0A 201 -2,-0.4 2,-0.4 32,-0.2 34,-0.2 -0.973 8.8-174.8-124.3 127.1 43.9 26.6 35.3 5 36 A W E -a 38 0A 11 32,-2.9 34,-3.4 -2,-0.5 2,-0.6 -0.946 17.6-146.5-120.6 138.7 40.9 25.9 37.5 6 37 A R E +a 39 0A 81 -2,-0.4 56,-1.7 32,-0.2 57,-1.4 -0.916 25.7 179.1-100.6 123.0 38.6 22.9 37.7 7 38 A I E -ab 40 63A 0 32,-2.1 34,-1.7 -2,-0.6 2,-0.4 -0.982 14.1-157.3-130.7 124.7 35.0 24.0 38.5 8 39 A Q E -ab 41 64A 0 55,-1.4 57,-2.2 -2,-0.4 2,-0.3 -0.799 11.1-149.7 -99.8 140.7 32.0 21.8 38.8 9 40 A T E - b 0 65A 0 32,-2.6 35,-0.1 -2,-0.4 9,-0.0 -0.705 22.7-126.9-105.5 158.9 28.5 23.1 38.4 10 41 A A S S+ 0 0 3 55,-2.3 2,-0.3 -2,-0.3 159,-0.1 0.628 83.3 104.7 -74.8 -12.2 25.2 22.0 40.0 11 42 A W S S- 0 0 0 54,-0.3 32,-2.4 6,-0.1 -2,-0.2 -0.553 72.0-131.6 -75.0 128.8 23.8 21.8 36.5 12 43 A D > - 0 0 31 -2,-0.3 3,-1.0 30,-0.2 6,-0.5 -0.418 33.2 -90.8 -75.5 155.1 23.5 18.2 35.2 13 44 A A T 3 S+ 0 0 19 30,-0.3 -1,-0.1 1,-0.2 3,-0.1 -0.295 111.8 36.5 -61.9 149.7 24.8 17.4 31.7 14 45 A G T 3 S+ 0 0 35 1,-0.3 2,-0.3 -3,-0.1 -1,-0.2 0.605 92.1 116.7 83.2 9.4 22.2 17.8 29.0 15 46 A T S <> S- 0 0 2 -3,-1.0 4,-1.7 1,-0.1 -1,-0.3 -0.757 76.5-120.6-109.5 160.1 20.6 20.9 30.5 16 47 A V H > S+ 0 0 37 -2,-0.3 4,-2.2 1,-0.2 5,-0.2 0.878 115.2 58.9 -60.8 -38.1 20.3 24.4 29.2 17 48 A G H > S+ 0 0 0 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.904 102.8 48.3 -60.1 -45.5 22.1 25.4 32.4 18 49 A Y H > S+ 0 0 16 -6,-0.5 4,-2.4 1,-0.2 -1,-0.2 0.907 110.1 53.4 -63.9 -36.6 25.2 23.3 31.7 19 50 A S H X S+ 0 0 67 -4,-1.7 4,-2.1 1,-0.2 -2,-0.2 0.921 109.3 48.6 -63.2 -41.5 25.3 24.7 28.1 20 51 A L H X S+ 0 0 29 -4,-2.2 4,-1.7 1,-0.2 -1,-0.2 0.924 110.9 51.2 -63.0 -42.0 25.3 28.2 29.6 21 52 A F H X S+ 0 0 0 -4,-2.3 4,-1.4 2,-0.2 -2,-0.2 0.870 107.4 52.0 -63.3 -40.9 28.0 27.3 32.0 22 53 A Q H >X S+ 0 0 82 -4,-2.4 4,-1.1 1,-0.2 3,-0.6 0.945 108.2 51.5 -60.6 -47.5 30.2 25.8 29.3 23 54 A K H 3X S+ 0 0 128 -4,-2.1 4,-1.5 1,-0.3 3,-0.4 0.849 103.6 60.7 -58.0 -36.0 29.9 29.0 27.3 24 55 A F H 3X S+ 0 0 4 -4,-1.7 4,-2.1 1,-0.2 -1,-0.3 0.876 97.1 58.0 -59.1 -41.2 30.9 30.9 30.4 25 56 A T H S+ 0 0 95 -4,-1.6 5,-3.4 2,-0.2 6,-0.3 0.927 113.0 48.3 -62.4 -42.7 39.4 32.7 28.7 30 61 A E H ><5S+ 0 0 74 -4,-2.0 3,-1.2 1,-0.2 -2,-0.2 0.935 110.5 49.2 -63.1 -48.0 38.5 35.6 26.4 31 62 A L H 3<5S+ 0 0 4 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.699 118.1 41.0 -67.7 -17.7 38.3 38.2 29.1 32 63 A T T ><5S- 0 0 2 -4,-1.3 3,-2.0 -3,-0.3 -1,-0.3 0.297 109.8-118.6-111.2 9.8 41.6 37.1 30.6 33 64 A D T < 5S- 0 0 67 -3,-1.2 -3,-0.2 -4,-0.3 -4,-0.1 0.890 76.3 -53.4 54.5 41.3 43.4 36.6 27.2 34 65 A G T 3 - 0 0 19 0, 0.0 3,-2.1 0, 0.0 4,-0.4 -0.229 51.8 -60.2 -72.4 168.4 28.8 18.8 35.0 43 74 A A T 3 S+ 0 0 15 -32,-2.4 -30,-0.3 1,-0.3 -33,-0.1 -0.223 123.5 6.9 -52.2 130.5 27.0 17.8 38.3 44 75 A G T 3 S+ 0 0 43 3,-0.7 -1,-0.3 -35,-0.1 4,-0.1 0.227 91.1 116.5 83.5 -13.9 28.6 14.6 39.8 45 76 A A S < S+ 0 0 59 -3,-2.1 -2,-0.1 1,-0.2 3,-0.1 0.892 95.7 10.0 -55.7 -41.3 31.5 14.4 37.4 46 77 A V S S- 0 0 43 1,-0.5 2,-0.3 -4,-0.4 -1,-0.2 0.742 139.9 -6.6-108.9 -32.6 34.1 14.9 40.2 47 78 A V S S- 0 0 32 0, 0.0 -3,-0.7 0, 0.0 -1,-0.5 -0.955 86.3 -80.4-157.3 160.6 32.1 14.7 43.4 48 79 A G > - 0 0 34 -2,-0.3 3,-1.7 1,-0.1 4,-0.4 -0.428 47.1-113.6 -66.4 148.4 28.4 14.4 44.3 49 80 A T G > S+ 0 0 14 1,-0.3 3,-1.7 2,-0.2 4,-0.4 0.900 115.3 51.5 -50.1 -48.8 26.7 17.8 44.2 50 81 A F G 3 S+ 0 0 58 1,-0.3 -1,-0.3 2,-0.1 4,-0.2 0.619 109.6 51.7 -68.5 -9.8 26.0 17.9 47.9 51 82 A D G <> S+ 0 0 91 -3,-1.7 4,-2.0 1,-0.1 -1,-0.3 0.353 79.6 95.9-105.5 2.4 29.7 17.2 48.6 52 83 A M H <> S+ 0 0 0 -3,-1.7 4,-2.6 -4,-0.4 5,-0.3 0.893 76.8 62.3 -58.8 -41.2 31.1 19.9 46.4 53 84 A F H > S+ 0 0 1 -4,-0.4 4,-2.3 1,-0.2 -1,-0.2 0.925 109.9 38.7 -50.5 -51.4 31.3 22.3 49.3 54 85 A D H > S+ 0 0 60 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.854 112.7 57.0 -71.3 -32.7 33.8 20.1 51.1 55 86 A A H X>S+ 0 0 11 -4,-2.0 6,-1.8 2,-0.2 5,-1.4 0.852 112.1 41.9 -67.4 -34.2 35.6 19.2 47.9 56 87 A V H <5S+ 0 0 0 -4,-2.6 3,-0.5 2,-0.2 -2,-0.2 0.904 111.8 55.5 -77.2 -39.3 36.3 22.8 47.2 57 88 A K H <5S+ 0 0 73 -4,-2.3 -2,-0.2 -5,-0.3 -3,-0.2 0.920 114.1 40.3 -57.5 -43.1 37.2 23.5 50.8 58 89 A T H <5S- 0 0 100 -4,-2.5 -1,-0.3 -5,-0.1 -2,-0.2 0.611 115.1-115.9 -83.6 -12.1 39.8 20.7 50.6 59 90 A G T <5S+ 0 0 13 -4,-0.6 -3,-0.2 -3,-0.5 -4,-0.1 0.517 80.9 121.3 94.4 1.0 41.0 21.7 47.1 60 91 A V S -D 221 0A 2 154,-0.2 3,-2.1 1,-0.1 154,-0.3 -0.897 45.9-138.0 -90.8 114.6 22.7 26.6 44.2 68 99 A T G > S+ 0 0 0 152,-1.2 3,-1.6 -2,-0.8 -1,-0.1 0.786 93.2 65.6 -49.6 -38.4 23.8 28.4 47.3 69 100 A L G > S+ 0 0 7 151,-0.4 3,-1.7 1,-0.3 -1,-0.3 0.555 76.0 87.9 -70.1 -1.0 21.1 27.2 49.6 70 101 A Y G < S+ 0 0 33 -3,-2.1 3,-0.5 1,-0.3 -1,-0.3 0.775 86.1 56.0 -64.1 -22.1 22.4 23.6 49.4 71 102 A W G X> S+ 0 0 8 -3,-1.6 4,-3.2 -4,-0.2 3,-1.6 0.332 71.6 110.4 -92.9 10.1 24.7 24.5 52.3 72 103 A A T <4 S+ 0 0 1 -3,-1.7 -1,-0.2 1,-0.3 7,-0.2 0.828 72.9 58.1 -53.7 -36.1 21.9 25.7 54.6 73 104 A G T 34 S+ 0 0 76 -3,-0.5 -1,-0.3 -4,-0.2 -2,-0.1 0.740 121.0 24.5 -68.5 -25.8 22.4 22.7 56.8 74 105 A R T <4 S+ 0 0 109 -3,-1.6 -2,-0.2 1,-0.2 -1,-0.2 0.605 132.8 35.9-112.9 -17.9 26.1 23.5 57.6 75 106 A M >< - 0 0 9 -4,-3.2 3,-2.1 1,-0.1 4,-0.3 -0.800 65.8-167.8-136.5 90.6 26.1 27.3 57.0 76 107 A P G > S+ 0 0 15 0, 0.0 3,-1.7 0, 0.0 4,-0.4 0.792 84.0 68.5 -49.0 -34.7 22.7 28.8 58.1 77 108 A V G > S+ 0 0 2 1,-0.3 3,-2.0 2,-0.2 -5,-0.1 0.839 86.8 67.9 -58.8 -29.9 23.6 32.1 56.3 78 109 A T G X S+ 0 0 0 -3,-2.1 3,-1.2 1,-0.3 -1,-0.3 0.734 86.3 66.8 -65.4 -19.1 23.2 30.3 53.0 79 110 A A G < S+ 0 0 3 -3,-1.7 -1,-0.3 -4,-0.3 3,-0.2 0.681 106.7 44.0 -70.2 -17.1 19.5 29.9 53.5 80 111 A F G < S+ 0 0 0 -3,-2.0 -1,-0.3 -4,-0.4 -2,-0.2 0.253 97.1 73.4-108.3 8.1 19.4 33.7 53.2 81 112 A L S < S+ 0 0 0 -3,-1.2 2,-0.3 2,-0.1 -13,-0.2 0.211 105.9 33.7-105.9 15.6 21.8 33.9 50.2 82 113 A S S S- 0 0 0 -3,-0.2 137,-0.2 -14,-0.1 -15,-0.0 -0.939 108.7 -66.6-155.0 163.3 19.0 32.6 47.9 83 114 A S - 0 0 0 135,-2.4 2,-0.3 -2,-0.3 -2,-0.1 -0.150 45.1-170.0 -62.6 150.7 15.2 33.1 48.0 84 115 A Y > - 0 0 1 4,-0.3 3,-1.8 -4,-0.1 132,-0.1 -0.894 44.6 -54.5-132.7 162.6 13.1 31.8 50.8 85 116 A A T 3 S- 0 0 2 -2,-0.3 130,-0.2 1,-0.3 129,-0.1 -0.109 112.8 -16.5 -49.7 123.0 9.3 31.7 51.1 86 117 A L T 3 S+ 0 0 16 128,-1.7 -1,-0.3 127,-0.2 3,-0.1 0.622 105.7 112.5 59.0 22.0 7.4 34.9 50.6 87 118 A G S < S- 0 0 0 -3,-1.8 -1,-0.1 1,-0.3 -4,-0.1 0.038 83.0 -19.2 -95.9-149.6 10.4 37.2 51.1 88 119 A L - 0 0 0 1,-0.1 -1,-0.3 -3,-0.1 -4,-0.3 -0.346 67.4-178.4 -54.7 131.7 12.1 39.4 48.5 89 120 A D + 0 0 51 -3,-0.1 -1,-0.1 128,-0.1 124,-0.1 0.233 43.6 81.7-128.1 15.9 10.9 37.9 45.2 90 121 A R S >> S- 0 0 78 1,-0.1 4,-1.8 128,-0.1 3,-0.8 -0.951 72.6-128.5-122.7 143.6 12.4 39.8 42.3 91 122 A P H 3> S+ 0 0 10 0, 0.0 4,-2.3 0, 0.0 5,-0.2 0.916 110.9 55.5 -53.2 -42.6 15.8 39.3 40.7 92 123 A D H 3> S+ 0 0 10 1,-0.2 4,-2.1 2,-0.2 5,-0.1 0.802 103.5 54.3 -63.6 -28.2 16.4 43.1 41.0 93 124 A Q H <> S+ 0 0 12 -3,-0.8 4,-2.6 2,-0.2 -1,-0.2 0.910 110.0 46.0 -72.2 -41.0 15.7 43.0 44.8 94 125 A W H X S+ 0 0 0 -4,-1.8 4,-2.6 2,-0.2 5,-0.2 0.896 111.3 52.6 -68.2 -36.9 18.3 40.4 45.4 95 126 A E H X S+ 0 0 1 -4,-2.3 4,-2.8 -5,-0.2 -2,-0.2 0.929 111.1 48.0 -61.9 -44.2 20.8 42.3 43.2 96 127 A T H X>S+ 0 0 0 -4,-2.1 4,-2.3 2,-0.2 5,-1.6 0.939 111.4 49.0 -62.9 -46.1 20.1 45.4 45.3 97 128 A W H <5S+ 0 0 0 -4,-2.6 6,-2.5 1,-0.2 4,-0.4 0.930 116.9 41.8 -61.8 -46.2 20.6 43.6 48.6 98 129 A F H <5S+ 0 0 3 -4,-2.6 6,-2.4 5,-0.2 7,-0.3 0.935 122.9 35.8 -64.6 -48.3 23.8 41.9 47.5 99 130 A Y H <5S+ 0 0 40 -4,-2.8 -2,-0.2 -5,-0.2 -1,-0.2 0.560 134.4 10.3 -91.7 -9.5 25.4 44.9 45.8 100 131 A S T <5S+ 0 0 22 -4,-2.3 -3,-0.2 -5,-0.2 -2,-0.1 0.521 119.4 58.4-138.2 -18.8 24.4 48.0 47.8 101 132 A L S S+ 0 0 35 -4,-0.2 4,-1.4 -6,-0.2 -4,-0.2 0.451 84.6 125.3 93.5 3.8 25.7 44.9 52.3 103 134 A G H > S+ 0 0 0 -6,-2.5 4,-2.5 1,-0.2 -5,-0.2 0.887 70.4 56.9 -63.5 -41.1 24.8 41.3 51.3 104 135 A L H > S+ 0 0 29 -6,-2.4 4,-2.5 -7,-0.3 -1,-0.2 0.910 108.2 47.3 -59.1 -41.8 28.0 40.6 49.3 105 136 A D H > S+ 0 0 94 -7,-0.3 4,-2.3 2,-0.2 -1,-0.2 0.857 110.2 51.8 -68.2 -36.3 30.2 41.4 52.3 106 137 A I H X S+ 0 0 12 -4,-1.4 4,-2.3 2,-0.2 5,-0.2 0.957 112.8 46.5 -64.2 -47.8 28.2 39.3 54.7 107 138 A A H X S+ 0 0 0 -4,-2.5 4,-2.5 1,-0.2 5,-0.2 0.916 112.6 49.7 -60.3 -45.7 28.5 36.3 52.3 108 139 A R H X S+ 0 0 63 -4,-2.5 4,-2.2 -5,-0.2 -1,-0.2 0.898 111.0 48.6 -63.2 -39.2 32.2 36.9 51.8 109 140 A R H X S+ 0 0 86 -4,-2.3 4,-1.3 2,-0.2 -2,-0.2 0.915 112.3 48.4 -67.9 -41.4 32.9 37.0 55.5 110 141 A A H < S+ 0 0 3 -4,-2.3 4,-0.4 1,-0.2 3,-0.3 0.929 115.4 43.9 -64.2 -45.8 30.9 33.9 56.3 111 142 A F H ><>S+ 0 0 0 -4,-2.5 5,-1.9 1,-0.2 3,-1.5 0.859 105.6 62.2 -68.5 -34.1 32.5 31.9 53.5 112 143 A A H ><5S+ 0 0 46 -4,-2.2 3,-1.8 1,-0.3 -1,-0.2 0.866 96.8 58.5 -60.2 -35.4 36.0 33.2 54.3 113 144 A E T 3<5S+ 0 0 123 -4,-1.3 -1,-0.3 -3,-0.3 -2,-0.2 0.720 106.2 51.2 -65.3 -18.5 35.7 31.5 57.7 114 145 A Q T < 5S- 0 0 42 -3,-1.5 -1,-0.3 -4,-0.4 -2,-0.2 0.302 122.9-105.3 -98.6 4.3 35.2 28.2 55.7 115 146 A G T < 5S+ 0 0 29 -3,-1.8 112,-2.3 1,-0.3 113,-0.4 0.843 85.0 117.3 73.8 32.9 38.3 28.8 53.6 116 147 A L E < -E 226 0A 0 -5,-1.9 2,-0.7 110,-0.2 -1,-0.3 -0.975 60.0-138.9-133.1 146.4 36.2 29.7 50.6 117 148 A F E -E 225 0A 32 108,-3.5 108,-2.6 -2,-0.3 2,-0.8 -0.911 15.3-150.6-107.0 110.8 36.0 32.9 48.6 118 149 A Y E -E 224 0A 0 -2,-0.7 106,-0.2 106,-0.2 -10,-0.1 -0.698 13.5-173.2 -79.4 110.7 32.4 33.7 47.6 119 150 A V E - 0 0 1 104,-2.4 -1,-0.2 -2,-0.8 105,-0.1 0.978 49.2 -65.9 -70.9 -56.4 32.7 35.6 44.3 120 151 A G E -E 223 0A 1 103,-0.9 103,-1.3 -13,-0.1 -1,-0.3 -0.935 53.4 -74.0 175.1 165.2 29.1 36.7 43.8 121 152 A P E -E 222 0A 0 0, 0.0 2,-0.5 0, 0.0 101,-0.3 -0.383 32.4-144.3 -76.4 154.6 25.6 35.4 43.1 122 153 A V E -E 221 0A 0 99,-2.9 99,-2.6 -2,-0.1 127,-0.1 -0.981 19.5-131.6-121.7 114.7 24.4 34.1 39.7 123 154 A Q + 0 0 0 -2,-0.5 130,-0.1 97,-0.2 97,-0.1 -0.313 41.1 150.4 -63.5 152.2 20.8 35.0 38.9 124 155 A H - 0 0 0 1,-0.1 2,-0.3 129,-0.1 -1,-0.1 0.400 40.3 -67.2-147.9 -74.1 18.8 32.2 37.6 125 156 A D - 0 0 9 94,-0.3 94,-3.0 131,-0.1 2,-0.2 -0.987 38.5 -85.4-179.4 174.1 15.0 31.6 38.0 126 157 A L - 0 0 45 -2,-0.3 2,-0.3 92,-0.2 92,-0.1 -0.611 50.3-122.7 -93.8 163.0 12.0 31.0 40.1 127 158 A N - 0 0 3 89,-2.0 89,-0.3 -2,-0.2 2,-0.3 -0.807 21.1-160.2-109.8 156.1 11.3 27.3 40.8 128 159 A I - 0 0 2 59,-2.2 58,-0.8 -2,-0.3 2,-0.4 -0.805 16.7-121.0-125.1 168.8 8.2 25.2 40.1 129 160 A I E -FG 185 205B 6 76,-1.7 76,-2.9 -2,-0.3 2,-0.5 -0.908 13.7-156.8-114.3 139.6 6.9 22.0 41.5 130 161 A H E +FG 184 204B 0 54,-2.4 54,-2.7 -2,-0.4 2,-0.3 -0.963 21.2 179.0-112.7 131.9 6.2 18.8 39.4 131 162 A S E -FG 183 203B 0 72,-3.0 72,-1.8 -2,-0.5 52,-0.2 -0.986 38.4-153.1-139.8 146.3 3.7 16.4 41.0 132 163 A K S S+ 0 0 71 50,-2.7 70,-0.2 -2,-0.3 51,-0.1 0.733 92.3 60.4 -82.3 -25.9 2.1 13.1 40.2 133 164 A K S S- 0 0 77 49,-0.5 2,-0.8 70,-0.1 70,-0.1 -0.784 96.9-110.3-103.3 143.2 -0.9 14.1 42.3 134 165 A P - 0 0 48 0, 0.0 2,-0.9 0, 0.0 -2,-0.1 -0.640 32.2-170.0 -76.9 110.9 -3.0 17.2 41.6 135 166 A I + 0 0 0 -2,-0.8 3,-0.1 1,-0.1 140,-0.1 -0.876 19.5 158.7-102.2 100.0 -2.1 19.6 44.5 136 167 A R + 0 0 114 -2,-0.9 2,-0.3 1,-0.1 142,-0.2 0.504 57.2 22.6-104.7 -6.8 -4.8 22.4 44.1 137 168 A R S > S- 0 0 125 140,-0.1 3,-2.1 1,-0.1 4,-0.3 -0.974 85.6 -94.6-154.2 164.9 -4.8 24.0 47.5 138 169 A F G > S+ 0 0 33 -2,-0.3 3,-1.8 1,-0.3 4,-0.3 0.886 120.3 58.0 -46.7 -48.0 -2.7 24.5 50.7 139 170 A E G > S+ 0 0 70 1,-0.3 3,-0.8 2,-0.2 -1,-0.3 0.664 90.9 71.0 -61.4 -19.2 -4.4 21.5 52.3 140 171 A D G < S+ 0 0 34 -3,-2.1 -1,-0.3 1,-0.2 -2,-0.2 0.572 83.0 71.7 -76.5 -7.5 -3.3 19.1 49.5 141 172 A F G X S+ 0 0 3 -3,-1.8 3,-2.0 -4,-0.3 -1,-0.2 0.751 70.4 108.9 -78.2 -22.5 0.3 19.3 50.6 142 173 A K T < S+ 0 0 153 -3,-0.8 20,-0.2 -4,-0.3 19,-0.2 -0.321 91.4 4.9 -58.3 125.8 -0.4 17.2 53.7 143 174 A G T 3 S+ 0 0 43 18,-2.7 2,-0.3 1,-0.3 -1,-0.3 0.374 92.1 140.2 82.2 -5.2 1.2 13.7 53.4 144 175 A V < - 0 0 2 -3,-2.0 19,-3.2 1,-0.1 2,-0.9 -0.566 53.0-135.2 -75.5 127.8 2.9 14.5 50.1 145 176 A K E -h 163 0B 96 -2,-0.3 37,-2.5 17,-0.2 38,-1.8 -0.767 37.4-175.8 -82.8 109.5 6.4 13.0 49.8 146 177 A L E -hi 164 183B 1 17,-2.6 19,-2.5 -2,-0.9 2,-0.4 -0.935 27.2-140.9-120.8 124.8 8.2 16.0 48.4 147 178 A R E +hi 165 184B 2 36,-2.3 38,-2.5 -2,-0.5 19,-0.2 -0.647 37.4 159.4 -77.4 131.0 11.8 16.5 47.2 148 179 A V - 0 0 1 17,-2.4 2,-0.5 -2,-0.4 19,-0.4 -0.946 53.2-102.2-145.6 163.3 13.0 19.9 48.2 149 180 A P - 0 0 6 0, 0.0 4,-0.2 0, 0.0 3,-0.1 -0.058 57.5-126.0 -81.4 36.1 16.5 21.5 48.7 150 181 A G S >> S+ 0 0 18 -2,-0.5 4,-2.0 15,-0.2 3,-0.7 -0.098 71.5 77.7 57.0-155.0 16.4 21.2 52.5 151 182 A G H 3> S- 0 0 21 1,-0.2 4,-1.7 2,-0.2 -1,-0.1 -0.133 113.4 -21.5 56.9-143.4 17.0 24.2 54.7 152 183 A M H 3> S+ 0 0 4 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.809 136.5 61.1 -70.8 -29.1 14.3 26.8 55.2 153 184 A I H <> S+ 0 0 5 -3,-0.7 4,-1.8 1,-0.2 -2,-0.2 0.951 107.2 44.8 -61.5 -48.2 12.5 25.7 52.0 154 185 A A H X S+ 0 0 12 -4,-2.0 4,-2.5 1,-0.2 -1,-0.2 0.902 109.6 56.3 -62.9 -41.7 12.1 22.2 53.4 155 186 A E H X S+ 0 0 50 -4,-1.7 4,-2.0 1,-0.2 -1,-0.2 0.876 105.8 49.7 -61.7 -37.5 10.9 23.5 56.8 156 187 A V H X S+ 0 0 5 -4,-2.0 4,-0.9 2,-0.2 -1,-0.2 0.919 112.8 46.4 -68.7 -42.3 8.1 25.6 55.3 157 188 A F H <>S+ 0 0 6 -4,-1.8 5,-2.3 1,-0.2 3,-0.3 0.866 111.8 52.5 -66.9 -34.5 6.8 22.6 53.2 158 189 A A H ><5S+ 0 0 48 -4,-2.5 3,-1.9 1,-0.2 -1,-0.2 0.884 104.4 55.5 -67.4 -36.2 7.1 20.4 56.4 159 190 A A H 3<5S+ 0 0 48 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.757 104.1 55.6 -67.1 -22.1 5.1 23.0 58.3 160 191 A A T 3<5S- 0 0 8 -4,-0.9 -1,-0.3 -3,-0.3 -2,-0.2 0.285 129.4 -99.2 -90.5 7.1 2.4 22.5 55.6 161 192 A G T < 5S+ 0 0 13 -3,-1.9 -18,-2.7 1,-0.3 -3,-0.2 0.457 75.8 139.7 93.1 -1.1 2.4 18.8 56.3 162 193 A A < - 0 0 8 -5,-2.3 2,-0.8 -20,-0.2 -1,-0.3 -0.396 54.1-127.5 -75.6 155.5 4.6 17.5 53.5 163 194 A S E -h 145 0B 65 -19,-3.2 -17,-2.6 -22,-0.2 2,-0.2 -0.902 35.1-148.7-101.2 106.1 7.2 14.7 54.0 164 195 A T E -h 146 0B 55 -2,-0.8 2,-0.4 -19,-0.2 -17,-0.2 -0.552 15.1-168.1 -85.4 142.9 10.3 16.3 52.7 165 196 A V E -h 147 0B 43 -19,-2.5 -17,-2.4 -2,-0.2 2,-0.6 -0.971 15.7-139.2-127.8 139.5 13.1 14.4 51.0 166 197 A L + 0 0 98 -2,-0.4 -19,-0.1 -19,-0.2 -2,-0.0 -0.893 39.0 148.0-101.7 121.7 16.6 15.7 50.1 167 198 A L - 0 0 28 -2,-0.6 5,-0.1 -19,-0.4 2,-0.1 -0.994 48.7-106.0-151.1 146.2 17.8 14.5 46.6 168 199 A P > - 0 0 25 0, 0.0 3,-2.4 0, 0.0 4,-0.4 -0.414 39.1-111.5 -70.6 153.2 20.0 15.8 43.9 169 200 A G G > S+ 0 0 5 1,-0.3 3,-1.5 2,-0.2 4,-0.5 0.850 116.1 62.5 -53.1 -35.5 18.1 16.9 40.8 170 201 A G G 3 S+ 0 0 36 1,-0.3 -1,-0.3 2,-0.1 791,-0.1 0.525 102.0 50.3 -70.3 -6.3 19.6 14.1 38.8 171 202 A E G <> S+ 0 0 104 -3,-2.4 4,-1.6 2,-0.1 -1,-0.3 0.384 87.5 87.2-109.7 2.9 17.9 11.5 41.1 172 203 A V H <> S+ 0 0 0 -3,-1.5 4,-2.3 -4,-0.4 5,-0.2 0.896 81.0 56.3 -69.7 -42.2 14.4 13.1 40.9 173 204 A Y H > S+ 0 0 6 -4,-0.5 4,-2.6 1,-0.2 5,-0.2 0.960 112.1 40.7 -57.6 -54.1 13.2 11.3 37.7 174 205 A P H > S+ 0 0 20 0, 0.0 4,-2.9 0, 0.0 6,-0.3 0.889 112.5 55.9 -64.0 -35.5 13.8 7.7 39.1 175 206 A A H <>S+ 0 0 7 -4,-1.6 5,-1.8 2,-0.2 6,-1.6 0.896 112.1 43.3 -60.6 -40.4 12.5 8.7 42.6 176 207 A L H ><5S+ 0 0 1 -4,-2.3 3,-0.9 3,-0.2 -1,-0.2 0.925 114.3 50.1 -69.6 -45.2 9.2 9.9 40.9 177 208 A E H 3<5S+ 0 0 76 -4,-2.6 -2,-0.2 1,-0.3 -1,-0.2 0.879 114.4 43.9 -60.9 -40.9 9.1 6.8 38.7 178 209 A R T 3<5S- 0 0 192 -4,-2.9 -1,-0.3 -5,-0.2 -2,-0.2 0.459 113.1-117.0 -85.7 -1.5 9.6 4.4 41.6 179 210 A G T < 5S+ 0 0 32 -3,-0.9 -3,-0.2 -4,-0.3 -4,-0.1 0.622 76.7 130.5 77.5 10.6 7.2 6.2 43.8 180 211 A V S - 0 0 0 -61,-0.2 4,-2.1 -2,-0.1 -1,-0.3 -0.216 62.2 -87.1 -82.7 178.4 12.3 26.2 36.4 189 220 A P H > S+ 0 0 2 0, 0.0 4,-1.9 0, 0.0 5,-0.2 0.848 117.2 51.9 -54.3 -48.1 10.3 24.9 33.4 190 221 A A H > S+ 0 0 6 66,-0.2 4,-2.1 2,-0.2 5,-0.1 0.953 115.2 38.4 -60.0 -52.4 13.0 24.6 30.7 191 222 A V H > S+ 0 0 2 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.902 113.8 54.5 -68.8 -38.9 15.5 22.5 32.8 192 223 A N H <>S+ 0 0 0 -4,-2.1 5,-1.9 1,-0.2 6,-0.3 0.885 110.5 48.8 -60.4 -35.8 12.9 20.4 34.4 193 224 A Y H ><5S+ 0 0 34 -4,-1.9 3,-1.4 -5,-0.2 -1,-0.2 0.907 106.1 56.4 -68.5 -41.5 11.7 19.6 30.9 194 225 A N H 3<5S+ 0 0 45 -4,-2.1 -2,-0.2 1,-0.3 -1,-0.2 0.868 108.9 47.4 -55.3 -40.9 15.3 18.7 29.9 195 226 A L T 3<5S- 0 0 32 -4,-2.1 -1,-0.3 -5,-0.1 -2,-0.2 0.481 115.6-120.0 -81.6 -5.2 15.4 16.2 32.7 196 227 A G T X 5 + 0 0 6 -3,-1.4 3,-2.1 -4,-0.3 4,-0.5 0.648 60.1 147.8 79.9 20.1 12.0 14.8 31.6 197 228 A F G >>< + 0 0 1 -5,-1.9 3,-1.2 1,-0.3 4,-1.0 0.777 67.7 68.7 -58.7 -25.5 9.9 15.3 34.7 198 229 A H G 34 S+ 0 0 14 -6,-0.3 -1,-0.3 1,-0.3 -5,-0.1 0.710 93.3 59.7 -66.4 -18.3 6.8 15.7 32.5 199 230 A Q G <4 S+ 0 0 66 -3,-2.1 -1,-0.3 1,-0.2 -2,-0.2 0.699 116.2 29.9 -81.7 -20.7 7.1 12.0 31.6 200 231 A V T <4 S+ 0 0 22 -3,-1.2 2,-0.3 -4,-0.5 -2,-0.2 0.334 125.0 40.9-119.7 4.3 6.7 10.9 35.2 201 232 A A < - 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0 0 25 0, 0.0 3,-2.0 0, 0.0 4,-0.4 -0.311 52.2 -62.9 -77.2 169.8 36.2 37.1 6.5 373 1074 B A T 3 S+ 0 0 14 -32,-2.3 -30,-0.4 1,-0.3 5,-0.1 -0.240 123.7 11.3 -53.7 133.1 34.9 38.0 3.1 374 1075 B G T 3 S+ 0 0 47 3,-1.2 -1,-0.3 -35,-0.1 4,-0.1 0.249 93.2 110.7 83.9 -13.3 36.4 41.3 1.8 375 1076 B A S < S+ 0 0 59 -3,-2.0 -2,-0.1 1,-0.1 3,-0.1 0.897 100.3 8.3 -62.1 -44.0 39.1 41.6 4.5 376 1077 B V S S- 0 0 46 1,-0.5 2,-0.3 -4,-0.4 -1,-0.1 0.754 142.4 -9.8-104.3 -38.7 42.0 40.9 2.0 377 1078 B V S S- 0 0 31 0, 0.0 -3,-1.2 0, 0.0 -1,-0.5 -0.973 81.4 -84.0-155.6 160.8 40.1 41.0 -1.3 378 1079 B G > - 0 0 37 -2,-0.3 3,-1.2 -4,-0.1 4,-0.4 -0.419 49.2-111.0 -66.5 150.2 36.5 41.0 -2.6 379 1080 B T G > S+ 0 0 13 1,-0.3 3,-1.5 2,-0.2 4,-0.4 0.874 115.2 50.5 -52.9 -46.9 35.0 37.5 -2.7 380 1081 B F G 3 S+ 0 0 77 1,-0.3 3,-0.4 2,-0.1 4,-0.3 0.763 109.6 53.4 -67.5 -17.7 34.8 37.2 -6.5 381 1082 B D G <> S+ 0 0 95 -3,-1.2 4,-2.0 1,-0.2 -1,-0.3 0.429 82.1 92.3 -93.1 -0.4 38.5 38.2 -6.7 382 1083 B M H <> S+ 0 0 0 -3,-1.5 4,-2.6 -4,-0.4 5,-0.3 0.892 77.3 61.4 -59.6 -41.2 39.6 35.6 -4.2 383 1084 B F H > S+ 0 0 0 -4,-0.4 4,-2.5 -3,-0.4 -1,-0.2 0.929 109.4 42.4 -52.4 -46.6 40.3 33.1 -7.1 384 1085 B D H > S+ 0 0 50 -4,-0.3 4,-2.1 1,-0.2 6,-0.3 0.869 109.9 55.9 -71.4 -34.5 42.9 35.5 -8.4 385 1086 B A H <>S+ 0 0 11 -4,-2.0 5,-2.0 2,-0.2 6,-1.6 0.893 114.5 40.3 -65.4 -36.0 44.4 36.3 -5.0 386 1087 B V H ><5S+ 0 0 0 -4,-2.6 3,-1.1 3,-0.2 -2,-0.2 0.920 111.1 55.0 -78.3 -43.7 45.0 32.7 -4.4 387 1088 B K H 3<5S+ 0 0 88 -4,-2.5 -2,-0.2 -5,-0.3 -1,-0.2 0.885 114.9 42.3 -56.7 -36.4 46.2 31.8 -7.9 388 1089 B T T 3<5S- 0 0 101 -4,-2.1 -1,-0.3 -5,-0.2 -2,-0.2 0.503 114.7-115.4 -89.9 -4.8 48.8 34.6 -7.5 389 1090 B G T < 5S+ 0 0 6 -3,-1.1 -3,-0.2 -4,-0.4 -4,-0.1 0.597 82.1 118.7 85.7 9.5 49.8 33.8 -3.9 390 1091 B V S -N 551 0C 3 154,-0.2 3,-1.9 1,-0.1 154,-0.2 -0.887 46.1-137.1 -91.0 117.8 31.4 28.6 -2.6 398 1099 B T G > S+ 0 0 0 152,-1.1 3,-1.6 -2,-0.8 -1,-0.1 0.787 93.9 61.6 -50.7 -40.1 32.8 26.5 -5.4 399 1100 B L G > S+ 0 0 8 151,-0.4 3,-1.6 1,-0.3 -1,-0.3 0.490 78.0 89.4 -73.4 4.1 30.3 27.4 -8.1 400 1101 B Y G < S+ 0 0 33 -3,-1.9 3,-0.4 1,-0.3 -1,-0.3 0.715 85.4 56.3 -68.3 -17.5 31.4 31.0 -7.9 401 1102 B W G X> S+ 0 0 7 -3,-1.6 4,-3.9 1,-0.2 3,-1.1 0.285 70.2 113.6 -98.2 11.4 34.0 30.0 -10.5 402 1103 B A T <4 S+ 0 0 3 -3,-1.6 -1,-0.2 1,-0.3 7,-0.2 0.824 77.7 50.9 -50.4 -38.6 31.5 28.7 -13.0 403 1104 B G T 34 S+ 0 0 79 -3,-0.4 -1,-0.3 -4,-0.2 -2,-0.1 0.787 119.4 35.8 -71.5 -28.9 32.4 31.5 -15.4 404 1105 B R T <4 S+ 0 0 120 -3,-1.1 -2,-0.2 1,-0.3 -1,-0.2 0.848 133.8 21.6 -88.5 -44.2 36.1 30.8 -15.2 405 1106 B M >< - 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0 0 70 -2,-0.3 4,-1.1 1,-0.1 3,-0.2 -0.802 25.3-121.7-111.8 155.2 -4.4 40.4 25.9 1308 3353 D D T 4 S+ 0 0 124 -2,-0.3 4,-0.2 1,-0.2 3,-0.2 0.843 112.9 62.6 -62.8 -31.5 -5.7 39.9 22.3 1309 3354 D E T >4 S+ 0 0 82 1,-0.2 3,-1.6 2,-0.2 -1,-0.2 0.939 102.8 47.9 -57.7 -48.2 -8.8 41.7 23.4 1310 3355 D E T 34 S+ 0 0 76 1,-0.3 -1,-0.2 -3,-0.2 -2,-0.2 0.762 109.5 54.5 -64.4 -26.8 -6.9 44.9 24.2 1311 3356 D L T >< S+ 0 0 13 -4,-1.1 3,-2.4 -3,-0.2 -1,-0.3 0.363 76.0 145.0 -90.2 5.9 -5.1 44.6 20.8 1312 3357 D K T < S+ 0 0 78 -3,-1.6 3,-0.1 1,-0.3 -3,-0.1 -0.196 76.4 4.7 -49.0 121.3 -8.4 44.5 18.8 1313 3358 D G T 3 S+ 0 0 90 1,-0.2 2,-0.5 0, 0.0 -1,-0.3 0.647 104.4 115.8 77.2 16.2 -7.9 46.3 15.6 1314 3359 D L < + 0 0 55 -3,-2.4 2,-0.4 -34,-0.0 -1,-0.2 -0.974 33.5 167.3-123.5 124.8 -4.1 47.0 16.1 1315 3360 D S 0 0 98 -2,-0.5 -3,-0.0 -3,-0.1 0, 0.0 -0.995 360.0 360.0-140.2 132.3 -1.4 45.5 13.9 1316 3361 D L 0 0 51 -2,-0.4 -26,-0.1 -26,-0.0 -1,-0.0 0.346 360.0 360.0-100.4 360.0 2.3 46.3 13.6