==== 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 CARBOHYDRATE-BINDING PROTEIN 01-JUL-09 3I4G . COMPND 2 MOLECULE: SUSD-LIKE CARBOHYDRATE BINDING PROTEIN BF1063; . SOURCE 2 ORGANISM_SCIENTIFIC: BACTEROIDES FRAGILIS NCTC 9343; . AUTHOR JOINT CENTER FOR STRUCTURAL GENOMICS (JCSG) . 513 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 19711.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 326 63.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 4 0.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 33 6.4 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 . 2 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.2 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 . 20 3.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 76 14.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 161 31.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 10 1.9 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 2 3 1 1 0 0 0 0 1 2 2 0 0 1 0 0 0 0 0 2 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 0 PARALLEL BRIDGES PER LADDER . 3 1 2 1 0 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 ANTIPARALLEL BRIDGES PER LADDER . 5 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 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 33 A E 0 0 115 0, 0.0 3,-0.3 0, 0.0 4,-0.1 0.000 360.0 360.0 360.0 -81.0 -14.7 53.2 49.9 2 34 A T > + 0 0 109 1,-0.2 3,-1.8 2,-0.2 4,-0.3 0.697 360.0 77.9 -76.0 -20.5 -18.2 53.5 48.2 3 35 A F G > S+ 0 0 75 1,-0.3 3,-1.4 2,-0.2 6,-0.2 0.929 90.1 53.5 -50.4 -48.6 -16.3 55.3 45.3 4 36 A W G 3 S+ 0 0 48 -3,-0.3 -1,-0.3 1,-0.3 -2,-0.2 0.487 85.7 83.1 -72.5 -2.7 -15.1 51.9 44.0 5 37 A N G < S+ 0 0 131 -3,-1.8 2,-0.4 93,-0.1 -1,-0.3 0.637 87.8 66.8 -70.7 -11.8 -18.7 50.5 43.9 6 38 A S <> - 0 0 38 -3,-1.4 4,-2.0 -4,-0.3 3,-0.2 -0.939 63.9-157.0-121.4 125.1 -19.1 52.2 40.5 7 39 A E H > S+ 0 0 68 -2,-0.4 4,-2.4 1,-0.2 -1,-0.1 0.796 101.4 59.7 -63.3 -29.7 -17.4 51.4 37.2 8 40 A S H > S+ 0 0 84 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.885 105.4 47.5 -63.0 -41.0 -18.2 55.0 36.2 9 41 A N H > S+ 0 0 53 -6,-0.2 4,-2.6 -3,-0.2 -2,-0.2 0.897 110.9 51.0 -68.4 -41.4 -16.2 56.3 39.2 10 42 A A H X S+ 0 0 5 -4,-2.0 4,-2.6 1,-0.2 -2,-0.2 0.927 110.1 50.5 -59.7 -42.9 -13.3 53.9 38.2 11 43 A E H X S+ 0 0 77 -4,-2.4 4,-2.2 2,-0.2 -2,-0.2 0.902 108.6 51.8 -61.9 -39.2 -13.5 55.4 34.7 12 44 A L H X S+ 0 0 105 -4,-2.1 4,-1.4 2,-0.2 -2,-0.2 0.930 110.8 47.5 -62.8 -45.4 -13.3 58.9 36.1 13 45 A A H X S+ 0 0 24 -4,-2.6 4,-1.8 1,-0.2 -2,-0.2 0.908 109.5 54.2 -61.2 -41.0 -10.2 58.0 38.2 14 46 A L H X S+ 0 0 4 -4,-2.6 4,-2.1 1,-0.2 -2,-0.2 0.904 101.5 57.8 -61.8 -37.6 -8.7 56.4 35.1 15 47 A T H X S+ 0 0 83 -4,-2.2 4,-2.3 1,-0.2 -1,-0.2 0.891 106.3 50.5 -59.2 -37.0 -9.2 59.6 33.1 16 48 A S H X S+ 0 0 61 -4,-1.4 4,-2.8 2,-0.2 -1,-0.2 0.887 105.3 56.1 -69.0 -36.6 -7.1 61.4 35.7 17 49 A L H < S+ 0 0 6 -4,-1.8 -2,-0.2 1,-0.2 -1,-0.2 0.906 111.0 44.5 -60.3 -43.9 -4.4 58.7 35.4 18 50 A Y H < S+ 0 0 44 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.934 115.1 48.1 -64.7 -44.8 -4.2 59.5 31.7 19 51 A R H >< S+ 0 0 63 -4,-2.3 3,-2.0 -5,-0.2 -2,-0.2 0.891 78.9 166.0 -64.6 -39.7 -4.2 63.2 32.2 20 52 A G T 3< S- 0 0 25 -4,-2.8 -1,-0.2 1,-0.2 12,-0.1 -0.379 72.0 -26.6 58.1-133.0 -1.6 63.3 34.9 21 53 A S T 3 S+ 0 0 33 10,-0.6 -1,-0.2 59,-0.1 11,-0.1 0.248 99.0 129.4 -97.3 8.8 -0.4 66.9 35.5 22 54 A L < - 0 0 28 -3,-2.0 2,-0.3 9,-0.0 -3,-0.0 -0.378 35.4-177.1 -60.5 138.6 -1.2 68.1 31.9 23 55 A T - 0 0 93 2,-0.2 2,-0.3 226,-0.1 8,-0.1 -0.846 35.0 -72.1-130.4 175.7 -3.2 71.3 32.0 24 56 A D S S- 0 0 80 -2,-0.3 2,-0.2 226,-0.1 226,-0.2 -0.513 86.0 -24.5 -70.9 125.2 -4.8 73.5 29.3 25 57 A G B S+a 250 0A 10 224,-2.9 226,-1.2 -2,-0.3 -2,-0.2 -0.507 101.1 26.9 92.7-144.3 -2.4 75.6 27.2 26 58 A V - 0 0 33 336,-0.3 2,-0.4 -2,-0.2 226,-0.1 -0.428 53.8-174.3 -72.5 135.5 1.0 77.1 27.4 27 59 A E - 0 0 16 -2,-0.2 4,-0.1 1,-0.1 -2,-0.0 -0.990 20.2-159.5-129.2 144.3 3.6 75.4 29.7 28 60 A Y S S+ 0 0 130 -2,-0.4 -1,-0.1 2,-0.1 -2,-0.0 0.350 82.6 16.0-103.3 6.4 7.0 76.8 30.5 29 61 A N S S- 0 0 54 47,-0.0 8,-0.2 30,-0.0 9,-0.2 -0.939 104.3 -61.9-165.4 167.7 8.4 73.4 31.6 30 62 A P + 0 0 0 0, 0.0 3,-0.1 0, 0.0 50,-0.1 -0.357 33.3 179.7 -63.4 139.5 7.3 69.8 31.2 31 63 A S S S- 0 0 3 1,-0.4 -10,-0.6 -4,-0.1 2,-0.3 0.439 76.3 -3.6-106.3 -10.1 4.1 68.7 32.7 32 64 A D S > S- 0 0 8 -11,-0.1 3,-1.3 -12,-0.1 -1,-0.4 -0.949 75.2-100.8-168.7 158.7 4.5 65.1 31.6 33 65 A W T 3 S+ 0 0 4 -2,-0.3 44,-0.0 1,-0.2 -1,-0.0 0.727 127.0 43.0 -57.9 -21.7 6.9 62.9 29.5 34 66 A W T 3 S+ 0 0 6 5,-0.1 -1,-0.2 4,-0.1 6,-0.1 0.355 88.5 107.8-108.6 2.6 4.3 63.3 26.7 35 67 A S S <>>S- 0 0 2 -3,-1.3 4,-2.8 1,-0.1 5,-0.6 -0.261 86.5-102.8 -73.0 168.0 3.5 67.0 27.1 36 68 A Y T 4>S+ 0 0 4 1,-0.2 5,-2.3 2,-0.2 6,-0.2 0.915 124.1 37.9 -64.7 -39.7 4.8 69.3 24.4 37 69 A H T 45S+ 0 0 0 -8,-0.2 -1,-0.2 3,-0.2 -4,-0.0 0.827 118.9 50.3 -76.8 -29.9 7.6 70.6 26.5 38 70 A G T 45S+ 0 0 0 -9,-0.2 -2,-0.2 -6,-0.2 -1,-0.2 0.834 129.0 14.2 -76.2 -30.0 8.2 67.2 28.1 39 71 A X T ><5S+ 0 0 12 -4,-2.8 3,-1.8 2,-0.1 4,-0.3 0.797 129.3 36.4-108.3 -74.1 8.4 65.3 24.8 40 72 A I G > -C 267 0B 0 -7,-0.4 3,-2.4 -2,-0.3 216,-0.2 -0.819 17.9-141.6 -92.4 124.4 16.2 76.1 22.8 52 84 A R T 3 S+ 0 0 47 214,-2.2 -1,-0.1 -2,-0.5 3,-0.1 0.745 99.3 70.7 -56.0 -29.1 15.6 79.8 21.9 53 85 A R T 3 S- 0 0 64 213,-0.2 3,-0.3 1,-0.2 -1,-0.3 0.689 103.1-143.6 -65.2 -16.6 16.0 80.6 25.6 54 86 A G X - 0 0 12 -3,-2.4 3,-1.5 1,-0.2 6,-0.3 -0.160 27.9 -38.4 93.8-177.2 19.7 79.8 25.1 55 87 A E T 3 S+ 0 0 54 1,-0.3 -1,-0.2 -3,-0.1 9,-0.1 0.674 128.2 52.9 -67.6 -22.9 22.7 78.3 26.7 56 88 A N T 3 S+ 0 0 137 -3,-0.3 -1,-0.3 4,-0.1 -2,-0.1 0.517 81.1 109.7 -90.4 -3.0 22.0 79.6 30.2 57 89 A N S <> S- 0 0 26 -3,-1.5 4,-1.7 1,-0.2 3,-0.2 -0.504 72.1-134.6 -73.5 131.7 18.5 78.2 30.2 58 90 A P H > S+ 0 0 50 0, 0.0 4,-0.5 0, 0.0 -1,-0.2 0.784 102.2 59.4 -64.3 -22.1 18.4 75.3 32.7 59 91 A F H >4 S+ 0 0 0 1,-0.2 3,-1.8 2,-0.2 4,-0.3 0.976 107.5 45.4 -66.5 -49.5 16.4 73.0 30.4 60 92 A F H >> S+ 0 0 1 -6,-0.3 3,-1.3 1,-0.3 4,-0.5 0.862 103.5 66.7 -57.6 -32.8 19.2 73.3 27.8 61 93 A K H 3X>S+ 0 0 60 -4,-1.7 5,-0.7 1,-0.3 4,-0.5 0.677 77.2 84.3 -66.3 -15.8 21.7 72.7 30.6 62 94 A I H <<5S+ 0 0 0 -3,-1.8 -1,-0.3 -4,-0.5 5,-0.2 0.880 112.2 14.0 -53.8 -40.6 20.3 69.1 31.1 63 95 A S H <45S+ 0 0 0 -3,-1.3 -1,-0.2 -4,-0.3 428,-0.2 0.257 108.0 83.6-123.0 16.6 22.7 67.9 28.3 64 96 A S H <5S- 0 0 8 -4,-0.5 426,-2.5 -3,-0.3 -2,-0.1 0.508 110.0 -94.4 -95.4 -3.7 25.2 70.8 27.8 65 97 A G T <5S+ 0 0 11 -4,-0.5 -3,-0.1 424,-0.2 -4,-0.1 0.393 108.0 90.9 105.5 2.3 27.6 69.8 30.6 66 98 A N < + 0 0 92 -5,-0.7 2,-0.4 -6,-0.1 -4,-0.1 0.129 47.2 136.1-119.1 20.4 26.0 72.1 33.2 67 99 A L + 0 0 9 -6,-0.3 2,-0.3 -5,-0.2 -5,-0.1 -0.562 25.6 176.1 -76.9 128.8 23.4 69.9 34.8 68 100 A T > - 0 0 79 -2,-0.4 3,-1.7 432,-0.1 435,-0.1 -0.844 42.8-105.8-125.8 162.9 23.2 70.2 38.6 69 101 A A T 3 S+ 0 0 15 1,-0.3 434,-2.4 -2,-0.3 435,-0.3 0.665 113.3 63.4 -68.1 -17.1 20.9 68.6 41.1 70 102 A D T 3 S+ 0 0 118 432,-0.2 -1,-0.3 433,-0.1 2,-0.1 0.284 72.0 137.5 -87.7 12.1 18.9 71.7 41.8 71 103 A N <> - 0 0 8 -3,-1.7 4,-1.5 1,-0.1 432,-0.1 -0.360 49.9-146.9 -62.9 129.9 17.7 71.9 38.2 72 104 A A H > S+ 0 0 66 1,-0.2 4,-1.7 2,-0.2 -1,-0.1 0.800 93.6 54.5 -70.0 -29.1 14.0 72.9 38.0 73 105 A F H > S+ 0 0 16 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.914 106.9 47.8 -75.8 -42.2 13.3 70.8 34.9 74 106 A I H > S+ 0 0 0 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.871 110.1 55.2 -66.2 -34.6 14.6 67.5 36.2 75 107 A K H X S+ 0 0 56 -4,-1.5 4,-3.0 1,-0.2 5,-0.2 0.916 106.9 50.5 -63.7 -38.7 12.5 68.2 39.4 76 108 A R H X S+ 0 0 70 -4,-1.7 4,-2.7 2,-0.2 5,-0.3 0.925 110.4 47.9 -61.2 -49.3 9.4 68.6 37.2 77 109 A Y H X S+ 0 0 0 -4,-2.1 4,-1.8 1,-0.2 -1,-0.2 0.933 115.0 47.8 -57.1 -45.8 10.0 65.3 35.4 78 110 A W H X S+ 0 0 13 -4,-2.4 4,-2.5 2,-0.2 5,-0.2 0.949 115.0 42.3 -58.6 -54.1 10.6 63.6 38.7 79 111 A E H X S+ 0 0 74 -4,-3.0 4,-2.6 1,-0.2 5,-0.2 0.927 113.0 50.7 -68.8 -40.2 7.6 64.9 40.6 80 112 A T H X S+ 0 0 3 -4,-2.7 4,-2.3 -5,-0.2 -1,-0.2 0.903 111.9 51.1 -64.1 -35.0 5.1 64.5 37.7 81 113 A S H X S+ 0 0 0 -4,-1.8 4,-2.8 -5,-0.3 -2,-0.2 0.964 113.9 41.3 -61.2 -54.3 6.3 60.9 37.4 82 114 A Y H X S+ 0 0 42 -4,-2.5 4,-2.5 2,-0.2 -2,-0.2 0.806 111.5 57.1 -70.0 -28.3 5.9 60.1 41.1 83 115 A K H X S+ 0 0 89 -4,-2.6 4,-2.2 -5,-0.2 -1,-0.2 0.965 111.9 41.7 -63.6 -49.8 2.6 61.9 41.3 84 116 A R H X S+ 0 0 7 -4,-2.3 4,-2.8 -5,-0.2 5,-0.2 0.936 113.4 53.9 -64.3 -41.6 1.2 59.7 38.5 85 117 A I H X S+ 0 0 2 -4,-2.8 4,-2.7 1,-0.2 -1,-0.2 0.928 108.5 49.8 -56.8 -45.6 2.8 56.6 40.0 86 118 A G H X S+ 0 0 27 -4,-2.5 4,-2.1 1,-0.2 -1,-0.2 0.912 111.3 47.4 -63.5 -41.3 1.1 57.4 43.3 87 119 A Y H X S+ 0 0 124 -4,-2.2 4,-2.5 2,-0.2 -1,-0.2 0.889 111.8 51.3 -66.8 -36.9 -2.3 57.8 41.8 88 120 A C H X S+ 0 0 0 -4,-2.8 4,-2.8 1,-0.2 -2,-0.2 0.910 109.1 51.6 -63.4 -40.6 -1.8 54.6 39.8 89 121 A N H X S+ 0 0 3 -4,-2.7 4,-2.0 -5,-0.2 46,-0.2 0.908 110.9 46.7 -62.7 -42.6 -0.9 52.8 43.0 90 122 A R H X S+ 0 0 95 -4,-2.1 4,-3.3 2,-0.2 -1,-0.2 0.915 112.7 50.5 -66.1 -40.9 -4.0 54.0 44.7 91 123 A F H X S+ 0 0 5 -4,-2.5 4,-2.5 1,-0.2 -2,-0.2 0.934 110.2 49.1 -59.5 -46.1 -6.1 53.1 41.7 92 124 A L H X S+ 0 0 22 -4,-2.8 4,-0.6 2,-0.2 -1,-0.2 0.851 117.1 41.7 -66.5 -36.5 -4.7 49.5 41.5 93 125 A V H >< S+ 0 0 71 -4,-2.0 3,-1.0 -5,-0.2 4,-0.4 0.956 115.1 50.1 -71.1 -51.4 -5.3 49.0 45.2 94 126 A G H 3< S+ 0 0 20 -4,-3.3 3,-0.5 1,-0.3 -2,-0.2 0.822 110.6 48.2 -59.4 -35.7 -8.7 50.7 45.2 95 127 A I H >< S+ 0 0 2 -4,-2.5 3,-2.1 -5,-0.2 -1,-0.3 0.674 85.1 92.5 -82.0 -13.3 -10.2 48.7 42.3 96 128 A Q T << S+ 0 0 117 -3,-1.0 -1,-0.2 -4,-0.6 -2,-0.1 0.788 89.7 40.8 -54.1 -39.3 -9.1 45.3 43.5 97 129 A N T 3 S+ 0 0 156 -3,-0.5 -1,-0.3 -4,-0.4 -2,-0.1 0.381 90.4 112.3 -94.3 4.6 -12.3 44.4 45.3 98 130 A S S < S- 0 0 24 -3,-2.1 -93,-0.1 1,-0.2 3,-0.1 -0.415 83.7 -71.3 -76.6 157.0 -14.7 45.8 42.8 99 131 A S - 0 0 96 1,-0.1 -1,-0.2 -2,-0.1 2,-0.2 -0.059 56.5-108.6 -48.2 138.6 -17.0 43.6 40.7 100 132 A E + 0 0 147 -3,-0.1 2,-0.3 4,-0.1 -1,-0.1 -0.461 55.8 139.3 -72.1 141.1 -15.2 41.5 38.1 101 133 A S > - 0 0 37 -2,-0.2 4,-2.3 -3,-0.1 5,-0.2 -0.973 65.1-100.6-168.0 165.6 -15.8 42.5 34.5 102 134 A E H > S+ 0 0 179 -2,-0.3 4,-2.4 1,-0.2 5,-0.2 0.889 123.1 53.9 -61.9 -37.1 -14.0 42.9 31.2 103 135 A K H > S+ 0 0 121 2,-0.2 4,-2.8 1,-0.2 -1,-0.2 0.917 107.0 50.3 -64.8 -43.0 -13.9 46.7 31.9 104 136 A K H > S+ 0 0 7 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.949 111.5 48.4 -58.3 -47.7 -12.3 46.2 35.3 105 137 A T H X S+ 0 0 51 -4,-2.3 4,-1.9 1,-0.2 -2,-0.2 0.905 113.1 48.3 -61.5 -40.4 -9.6 43.9 33.8 106 138 A R H X S+ 0 0 37 -4,-2.4 4,-2.3 -5,-0.2 -1,-0.2 0.941 110.3 50.2 -62.8 -48.1 -9.0 46.4 31.0 107 139 A X H X S+ 0 0 3 -4,-2.8 4,-2.7 1,-0.2 5,-0.2 0.885 107.3 53.8 -65.6 -33.5 -8.7 49.4 33.4 108 140 A I H X S+ 0 0 43 -4,-2.4 4,-2.4 1,-0.2 -1,-0.2 0.939 109.9 48.9 -61.6 -46.7 -6.2 47.5 35.6 109 141 A A H X S+ 0 0 2 -4,-1.9 4,-2.6 -5,-0.2 -2,-0.2 0.896 110.3 51.2 -60.1 -39.4 -4.1 46.9 32.5 110 142 A E H X S+ 0 0 0 -4,-2.3 4,-2.6 2,-0.2 -2,-0.2 0.928 110.5 48.1 -63.7 -45.5 -4.4 50.6 31.6 111 143 A A H X S+ 0 0 0 -4,-2.7 4,-2.6 1,-0.2 5,-0.2 0.893 112.5 49.0 -62.6 -39.4 -3.2 51.7 35.0 112 144 A R H X S+ 0 0 64 -4,-2.4 4,-2.6 -5,-0.2 -2,-0.2 0.903 111.1 50.0 -66.9 -40.5 -0.3 49.3 34.9 113 145 A F H X S+ 0 0 0 -4,-2.6 4,-2.2 2,-0.2 -2,-0.2 0.959 112.8 46.4 -59.0 -51.0 0.7 50.5 31.4 114 146 A L H X S+ 0 0 0 -4,-2.6 4,-1.3 1,-0.2 -2,-0.2 0.922 113.8 47.8 -61.2 -44.3 0.6 54.1 32.6 115 147 A R H X S+ 0 0 16 -4,-2.6 4,-1.6 1,-0.2 3,-0.4 0.926 111.4 51.2 -62.4 -44.5 2.5 53.4 35.8 116 148 A A H X S+ 0 0 0 -4,-2.6 4,-2.3 1,-0.2 -1,-0.2 0.866 102.1 59.6 -64.7 -33.8 5.1 51.4 33.9 117 149 A T H X S+ 0 0 0 -4,-2.2 4,-2.1 1,-0.2 -1,-0.2 0.885 103.3 53.4 -61.1 -35.2 5.7 54.2 31.4 118 150 A Q H X S+ 0 0 0 -4,-1.3 4,-2.7 -3,-0.4 -1,-0.2 0.933 110.1 45.5 -66.4 -43.9 6.7 56.5 34.2 119 151 A Y H X S+ 0 0 0 -4,-1.6 4,-2.8 2,-0.2 -1,-0.2 0.847 108.7 59.1 -65.3 -33.5 9.3 54.0 35.5 120 152 A F H X S+ 0 0 0 -4,-2.3 4,-1.3 2,-0.2 -2,-0.2 0.939 111.5 39.2 -59.3 -48.7 10.5 53.5 31.9 121 153 A Y H X S+ 0 0 16 -4,-2.1 4,-1.4 2,-0.2 5,-0.3 0.921 115.7 51.1 -71.2 -41.7 11.3 57.2 31.6 122 154 A L H X>S+ 0 0 0 -4,-2.7 5,-2.0 1,-0.2 4,-1.9 0.933 112.1 48.4 -55.7 -47.0 12.7 57.5 35.1 123 155 A A H <5S+ 0 0 0 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.773 106.7 58.1 -65.0 -28.0 14.9 54.5 34.4 124 156 A S H <5S+ 0 0 9 -4,-1.3 -1,-0.2 -5,-0.2 -2,-0.2 0.850 126.0 12.2 -68.3 -34.0 16.1 56.0 31.1 125 157 A Y H <5S+ 0 0 4 -4,-1.4 374,-2.9 -3,-0.4 -2,-0.2 0.829 137.8 30.7-117.7 -51.4 17.4 59.2 32.7 126 158 A F T <5S- 0 0 5 -4,-1.9 2,-2.2 -5,-0.3 -3,-0.2 0.749 82.6-175.0 -80.1 -28.9 17.7 59.0 36.5 127 159 A K < + 0 0 49 -5,-2.0 2,-0.7 -6,-0.2 25,-0.2 -0.382 61.9 53.5 75.5 -65.0 18.4 55.2 36.2 128 160 A N S S+ 0 0 68 -2,-2.2 20,-0.2 20,-0.1 18,-0.1 -0.914 76.2 138.1-110.7 107.1 18.5 54.1 39.9 129 161 A V B -D 147 0C 0 18,-1.2 18,-2.4 -2,-0.7 2,-0.1 -0.905 58.7 -71.4-143.8 163.3 15.3 55.3 41.7 130 162 A P - 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0 0 85 -2,-0.3 8,-0.1 -3,-0.1 -6,-0.0 -0.608 46.3 -98.0 -71.8 133.6 32.4 82.6 11.3 477 509 A D > - 0 0 5 6,-0.4 3,-1.7 -2,-0.3 5,-0.4 -0.367 31.1-152.6 -56.7 116.5 31.5 79.0 10.2 478 510 A P T 3 S+ 0 0 96 0, 0.0 -1,-0.2 0, 0.0 -2,-0.0 0.632 90.5 65.7 -72.6 -12.0 34.9 77.3 9.9 479 511 A T T 3 S- 0 0 80 4,-0.1 -2,-0.1 1,-0.0 -3,-0.0 0.523 110.7-119.4 -82.7 -7.4 33.6 74.9 7.2 480 512 A G S < S+ 0 0 46 -3,-1.7 -3,-0.0 3,-0.1 -4,-0.0 0.613 82.9 114.0 80.8 15.8 33.0 77.8 4.8 481 513 A N S S- 0 0 28 2,-0.1 -18,-0.2 -18,-0.0 -1,-0.0 0.271 80.5-121.8-104.9 10.8 29.3 77.4 4.5 482 514 A Y + 0 0 116 -5,-0.4 -19,-2.2 1,-0.2 2,-0.2 0.761 49.3 168.0 60.0 30.5 28.2 80.6 6.2 483 515 A R E -J 462 0I 20 -21,-0.3 -6,-0.4 1,-0.1 -1,-0.2 -0.492 40.7-106.7 -75.4 142.5 26.1 78.9 8.8 484 516 A W E - 0 0 3 -23,-1.8 -24,-2.2 -140,-0.3 2,-0.5 -0.486 29.6-119.3 -68.4 135.8 25.0 81.0 11.7 485 517 A Y E +J 459 0I 19 -10,-0.3 -11,-0.4 -26,-0.2 -26,-0.2 -0.655 39.4 169.4 -77.1 122.2 26.8 80.4 15.1 486 518 A V E - 0 0 5 -28,-2.4 2,-0.3 -2,-0.5 -27,-0.2 0.874 45.8 -78.7-100.0 -51.1 24.2 79.3 17.6 487 519 A G E -J 458 0I 0 -29,-1.5 -29,-3.3 -433,-0.1 -1,-0.3 -0.952 41.6-104.1 172.3-162.4 25.9 78.1 20.7 488 520 A K E -J 457 0I 68 -31,-0.3 2,-0.3 -2,-0.3 -31,-0.2 -0.984 10.5-151.4-152.1 163.8 27.8 75.0 22.1 489 521 A R - 0 0 14 -33,-1.6 -424,-0.2 -2,-0.3 -425,-0.1 -0.947 7.2-169.8-132.3 156.5 27.7 72.0 24.4 490 522 A A - 0 0 67 -426,-2.5 -35,-0.2 -2,-0.3 -426,-0.1 -0.433 20.6-168.5-142.3 59.7 30.3 70.1 26.4 491 523 A F - 0 0 13 -37,-2.4 2,-0.5 -428,-0.2 -427,-0.1 -0.222 21.9-124.0 -49.7 134.0 28.4 67.0 27.5 492 524 A R > - 0 0 91 2,-0.1 4,-2.7 1,-0.0 5,-0.4 -0.751 20.8-117.0 -95.0 126.4 30.4 65.2 30.1 493 525 A N T 4 S- 0 0 95 -2,-0.5 -2,-0.0 1,-0.3 -1,-0.0 -0.893 94.4 -2.7 -99.1 119.1 31.3 61.5 29.6 494 526 A P T >4 S+ 0 0 94 0, 0.0 3,-2.1 0, 0.0 4,-0.3 -0.989 125.9 64.6 -96.3 -7.4 30.1 59.7 31.8 495 527 A T G >4 S+ 0 0 76 1,-0.3 3,-1.8 2,-0.2 -2,-0.2 0.814 98.4 53.6 -51.1 -45.2 28.3 62.1 34.1 496 528 A D G 3< S+ 0 0 2 -4,-2.7 -1,-0.3 1,-0.3 -3,-0.1 0.513 89.8 76.2 -79.9 0.2 25.7 63.4 31.6 497 529 A Y G < S+ 0 0 23 -3,-2.1 2,-0.4 -5,-0.4 -1,-0.3 0.603 101.1 47.1 -73.1 -11.6 24.4 60.0 30.8 498 530 A T S < S- 0 0 53 -3,-1.8 -372,-0.2 -4,-0.3 -1,-0.1 -0.995 79.1-139.6-132.7 130.6 22.6 60.0 34.2 499 531 A W - 0 0 1 -374,-2.9 -3,-0.1 -2,-0.4 2,-0.0 -0.698 31.4-116.4 -81.6 139.8 20.5 62.8 35.6 500 532 A P - 0 0 42 0, 0.0 3,-0.1 0, 0.0 -1,-0.1 -0.350 34.4 -94.0 -70.6 154.6 21.2 63.4 39.4 501 533 A I - 0 0 8 11,-0.2 5,-0.1 1,-0.1 -426,-0.1 -0.496 59.2 -90.2 -61.1 135.7 18.4 62.8 41.9 502 534 A P >> - 0 0 2 0, 0.0 4,-1.9 0, 0.0 3,-1.2 -0.228 33.8-122.8 -55.4 141.9 16.7 66.2 42.5 503 535 A Q H 3> S+ 0 0 74 -434,-2.4 4,-2.4 1,-0.3 5,-0.2 0.828 108.3 58.1 -56.9 -39.2 18.4 68.1 45.3 504 536 A S H 3> S+ 0 0 42 -435,-0.3 4,-1.6 1,-0.2 -1,-0.3 0.846 108.8 46.3 -61.6 -33.6 15.2 68.4 47.3 505 537 A E H <> S+ 0 0 37 -3,-1.2 4,-2.5 2,-0.2 7,-0.3 0.865 110.0 52.1 -79.0 -37.1 14.7 64.7 47.4 506 538 A Q H < S+ 0 0 40 -4,-1.9 -2,-0.2 1,-0.2 6,-0.2 0.886 109.6 52.3 -60.3 -38.6 18.4 64.0 48.4 507 539 A N H < S+ 0 0 98 -4,-2.4 -2,-0.2 -5,-0.2 -1,-0.2 0.892 115.7 38.4 -68.3 -39.5 17.9 66.5 51.2 508 540 A I H < S+ 0 0 81 -4,-1.6 -2,-0.2 1,-0.2 -1,-0.2 0.936 118.8 44.8 -72.4 -49.6 14.8 64.8 52.6 509 541 A N >< - 0 0 3 -4,-2.5 3,-2.2 1,-0.1 -1,-0.2 -0.861 61.1-162.9-109.7 110.1 15.7 61.2 52.1 510 542 A P G > S+ 0 0 65 0, 0.0 3,-1.5 0, 0.0 -1,-0.1 0.779 89.9 67.5 -66.5 -20.9 19.2 60.1 53.1 511 543 A N G 3 S+ 0 0 73 1,-0.3 -365,-0.4 -369,-0.2 -5,-0.1 0.649 96.5 55.6 -70.5 -14.3 18.8 56.9 51.0 512 544 A L G < 0 0 6 -3,-2.2 -1,-0.3 -7,-0.3 -11,-0.2 0.258 360.0 360.0-102.5 11.0 18.8 59.1 47.8 513 545 A R < 0 0 169 -3,-1.5 -2,-0.2 -7,-0.2 -1,-0.2 0.642 360.0 360.0 -94.3 360.0 22.2 60.8 48.5