==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER SUGAR BINDING PROTEIN 13-SEP-08 3EHN . COMPND 2 MOLECULE: SUSD HOMOLOG; . SOURCE 2 ORGANISM_SCIENTIFIC: BACTEROIDES THETAIOTAOMICRON; . AUTHOR T.J.SMITH,N.M.KOROPATKIN . 1026 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 35393.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 683 66.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 4 0.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 42 4.1 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.2 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 0.2 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 . 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 . 59 5.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 129 12.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 362 35.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 35 3.4 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 8 5 1 0 0 4 1 6 2 1 2 0 2 2 0 2 0 2 0 0 1 1 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 . 8 0 6 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 . 6 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 33 A E > 0 0 196 0, 0.0 4,-1.3 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0 -97.5 -67.6 2.4 7.6 2 34 A L H >> + 0 0 54 3,-0.2 5,-1.7 2,-0.2 4,-1.5 0.884 360.0 46.2 -66.8 -42.8 -65.2 0.6 5.3 3 35 A G H 4>S+ 0 0 11 3,-0.2 5,-0.9 4,-0.2 6,-0.4 0.954 116.8 38.5 -68.5 -52.4 -62.8 -0.7 7.9 4 36 A P H 45S+ 0 0 78 0, 0.0 -1,-0.2 0, 0.0 -2,-0.2 0.786 126.4 36.8 -69.4 -29.3 -65.2 -2.1 10.6 5 37 A L H <5S+ 0 0 145 -4,-1.3 -2,-0.2 3,-0.0 -3,-0.2 0.660 131.1 8.1-101.9 -15.8 -67.6 -3.6 8.0 6 38 A K T <5S+ 0 0 75 -4,-1.5 4,-0.3 -5,-0.2 -3,-0.2 0.693 127.4 7.0-127.7 -63.6 -65.5 -4.8 5.1 7 39 A Y T > S+ 0 0 69 -6,-0.4 4,-2.6 2,-0.2 -1,-0.2 0.943 116.0 52.1 -69.6 -49.1 -60.4 -7.7 10.1 10 42 A R H > S+ 0 0 73 -3,-0.3 4,-2.1 -4,-0.3 -2,-0.2 0.853 111.1 51.5 -55.3 -35.2 -59.3 -9.4 6.9 11 43 A F H X S+ 0 0 5 -4,-2.6 4,-2.2 2,-0.2 -1,-0.2 0.886 108.3 48.1 -71.8 -41.0 -56.4 -7.0 6.8 12 44 A M H X S+ 0 0 27 -4,-1.6 4,-1.8 -5,-0.3 -2,-0.2 0.895 110.5 53.1 -67.8 -35.4 -55.2 -7.6 10.3 13 45 A N H X S+ 0 0 48 -4,-2.6 4,-1.3 1,-0.2 -2,-0.2 0.943 106.9 52.8 -64.1 -44.1 -55.4 -11.3 9.7 14 46 A M H >X S+ 0 0 0 -4,-2.1 4,-1.3 1,-0.2 3,-1.1 0.952 106.7 52.0 -55.7 -49.4 -53.2 -10.8 6.6 15 47 A Q H 3X S+ 0 0 0 -4,-2.2 4,-0.5 1,-0.3 3,-0.3 0.877 108.7 50.6 -55.8 -38.2 -50.6 -8.9 8.6 16 48 A Q H 3<>S+ 0 0 24 -4,-1.8 5,-1.1 1,-0.2 -1,-0.3 0.712 106.5 57.1 -73.8 -18.7 -50.4 -11.7 11.2 17 49 A R H <<5S+ 0 0 71 -4,-1.3 -1,-0.2 -3,-1.1 -2,-0.2 0.745 82.7 78.8 -83.7 -27.6 -49.9 -14.3 8.5 18 50 A V H <5S+ 0 0 3 -4,-1.3 -1,-0.2 -3,-0.3 -2,-0.1 0.939 121.1 5.7 -46.3 -55.4 -46.8 -13.0 6.8 19 51 A I T <5S- 0 0 6 -4,-0.5 -1,-0.3 302,-0.1 15,-0.1 -0.945 109.5 -96.2-132.3 108.1 -44.7 -14.4 9.6 20 52 A P T 5 + 0 0 8 0, 0.0 2,-0.3 0, 0.0 221,-0.3 0.135 67.9 134.8 -27.2 114.4 -46.9 -16.5 12.0 21 53 A I < + 0 0 11 -5,-1.1 2,-0.3 219,-0.1 219,-0.1 -0.944 21.8 166.1-161.9 153.6 -48.0 -14.4 15.0 22 54 A G B -A 239 0A 1 217,-0.6 217,-2.2 -2,-0.3 5,-0.0 -0.900 38.0 -56.3-159.0-171.7 -51.4 -14.0 16.7 23 55 A S > - 0 0 32 -2,-0.3 3,-1.4 215,-0.2 215,-0.2 -0.321 47.5-117.4 -73.6 158.8 -53.5 -12.8 19.6 24 56 A P G > S+ 0 0 61 0, 0.0 3,-2.3 0, 0.0 -1,-0.1 0.836 113.8 67.7 -67.5 -29.3 -52.7 -14.1 23.1 25 57 A S G 3 S+ 0 0 103 1,-0.3 3,-0.1 2,-0.1 213,-0.0 0.582 90.9 64.4 -67.3 -4.3 -56.1 -15.8 23.2 26 58 A L G X S- 0 0 98 -3,-1.4 3,-2.6 1,-0.3 -1,-0.3 0.273 88.1-168.2 -97.8 7.0 -54.7 -18.1 20.5 27 59 A T T < - 0 0 94 -3,-2.3 4,-0.3 1,-0.3 -1,-0.3 -0.101 64.4 -13.8 45.3-121.1 -52.2 -19.4 23.0 28 60 A T T 3> S+ 0 0 42 1,-0.2 4,-1.8 2,-0.1 -1,-0.3 0.329 105.9 105.6 -94.0 5.4 -49.5 -21.5 21.2 29 61 A G H X> S+ 0 0 32 -3,-2.6 3,-1.1 1,-0.2 4,-1.0 0.967 86.0 38.1 -48.8 -66.7 -51.4 -21.8 18.0 30 62 A P H 3> S+ 0 0 16 0, 0.0 4,-2.9 0, 0.0 3,-0.3 0.812 110.4 61.3 -56.6 -33.5 -49.2 -19.3 16.0 31 63 A G H 3> S+ 0 0 2 -4,-0.3 4,-1.6 1,-0.3 -2,-0.2 0.847 101.1 53.7 -62.7 -33.0 -46.0 -20.5 17.8 32 64 A N H S+ 0 0 2 -4,-2.9 4,-2.7 1,-0.2 5,-2.2 0.802 108.7 57.9 -65.7 -27.1 -43.7 -20.0 13.4 35 67 A Q H <>S+ 0 0 14 -4,-1.6 5,-2.1 -5,-0.3 6,-0.6 0.915 107.2 45.8 -68.5 -42.0 -42.0 -23.2 14.5 36 68 A N H <5S+ 0 0 0 -4,-1.2 6,-0.2 1,-0.1 -2,-0.2 0.793 124.1 32.5 -71.7 -30.9 -42.8 -24.9 11.1 37 69 A T H <>S+ 0 0 0 -4,-1.8 5,-0.6 4,-0.1 -2,-0.2 0.830 137.4 2.3 -96.7 -36.4 -41.7 -21.9 9.0 38 70 A D T <>S+ 0 0 8 -4,-2.7 5,-2.7 -5,-0.2 6,-0.3 0.795 118.2 49.0-120.3 -50.0 -38.8 -20.3 11.0 39 71 A L T >5S+ 0 0 0 -6,-0.6 4,-2.6 3,-0.1 3,-1.1 0.576 127.7 10.9-106.6-101.3 -36.9 -25.5 9.9 42 74 A S H 3> - 0 0 9 -2,-0.2 3,-3.0 243,-0.1 4,-0.4 0.331 33.5-137.9-125.0 0.1 -35.1 -34.5 17.1 55 87 A W G > - 0 0 53 1,-0.3 3,-0.9 2,-0.2 244,-0.1 0.708 64.6 -68.0 48.6 26.4 -38.8 -35.4 17.0 56 88 A G G 3 S- 0 0 46 1,-0.2 -1,-0.3 2,-0.1 243,-0.0 0.804 84.2 -73.3 66.2 25.6 -37.9 -39.0 16.2 57 89 A F G < S+ 0 0 70 -3,-3.0 -1,-0.2 1,-0.1 -2,-0.2 0.843 104.9 127.5 56.1 37.5 -36.7 -37.7 12.8 58 90 A N < + 0 0 102 -3,-0.9 2,-0.2 -4,-0.4 8,-0.2 0.297 56.1 37.0-110.0 9.3 -40.3 -37.3 11.8 59 91 A N S > >S- 0 0 11 -5,-0.3 5,-2.1 6,-0.1 3,-1.5 -0.827 99.5 -71.0-144.8-173.3 -40.6 -33.7 10.6 60 92 A E G > 5S+ 0 0 0 1,-0.3 3,-2.0 -2,-0.2 5,-0.1 0.718 112.7 78.5 -55.8 -24.1 -38.9 -30.9 8.7 61 93 A A G 3 5S+ 0 0 0 1,-0.3 -1,-0.3 3,-0.1 -10,-0.1 0.870 106.5 30.4 -55.5 -39.0 -36.4 -30.4 11.5 62 94 A N G < 5S- 0 0 0 -3,-1.5 -1,-0.3 -8,-0.1 395,-0.2 -0.014 126.2 -97.6-110.9 29.9 -34.4 -33.4 10.4 63 95 A W T < 5S+ 0 0 0 -3,-2.0 2,-1.2 1,-0.2 -3,-0.2 0.678 79.7 137.8 66.1 24.3 -35.3 -33.0 6.7 64 96 A N < - 0 0 44 -5,-2.1 2,-2.5 394,-0.0 -1,-0.2 -0.724 36.0-166.9 -99.6 84.6 -38.1 -35.4 6.7 65 97 A F - 0 0 6 -2,-1.2 -6,-0.1 392,-0.2 -1,-0.0 -0.453 16.5-173.0 -74.0 76.7 -40.7 -33.5 4.6 66 98 A T > - 0 0 27 -2,-2.5 4,-2.2 -8,-0.2 5,-0.2 -0.283 36.3-106.1 -68.9 158.8 -43.6 -35.8 5.5 67 99 A D H > S+ 0 0 44 1,-0.2 4,-1.4 2,-0.2 407,-0.2 0.860 118.1 45.8 -54.4 -43.3 -46.9 -35.3 3.8 68 100 A S H > S+ 0 0 82 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.929 113.5 47.8 -69.8 -44.9 -48.6 -33.8 6.8 69 101 A R H > S+ 0 0 51 1,-0.2 4,-1.8 2,-0.2 -2,-0.2 0.812 111.9 50.3 -66.4 -30.3 -45.8 -31.4 7.7 70 102 A M H X S+ 0 0 1 -4,-2.2 4,-1.9 2,-0.2 -1,-0.2 0.825 107.6 52.6 -78.2 -30.0 -45.5 -30.2 4.1 71 103 A N H X S+ 0 0 51 -4,-1.4 4,-1.2 -5,-0.2 -2,-0.2 0.832 110.4 50.2 -69.7 -31.9 -49.3 -29.5 3.8 72 104 A Y H X S+ 0 0 45 -4,-1.5 4,-3.0 2,-0.2 -2,-0.2 0.904 109.2 49.6 -72.1 -42.8 -48.9 -27.4 7.0 73 105 A A H X S+ 0 0 0 -4,-1.8 4,-2.2 1,-0.2 5,-0.3 0.871 108.3 54.2 -64.2 -36.6 -45.9 -25.5 5.6 74 106 A Y H X>S+ 0 0 49 -4,-1.9 4,-2.2 2,-0.2 5,-1.6 0.863 111.3 45.8 -64.6 -35.5 -48.0 -24.8 2.4 75 107 A Q H <>S+ 0 0 83 -4,-1.2 5,-2.3 3,-0.2 6,-0.4 0.936 112.6 49.5 -72.0 -48.4 -50.7 -23.4 4.6 76 108 A N H <5S+ 0 0 9 -4,-3.0 -2,-0.2 1,-0.2 -1,-0.2 0.819 122.6 31.5 -61.8 -33.4 -48.3 -21.3 6.7 77 109 A F H <5S+ 0 0 5 -4,-2.2 41,-0.4 -5,-0.2 -2,-0.2 0.818 137.2 3.1 -94.3 -35.5 -46.6 -19.8 3.6 78 110 A Y T X5S+ 0 0 14 -4,-2.2 4,-1.2 -5,-0.3 -3,-0.2 0.814 120.6 41.7-117.4 -64.7 -49.3 -19.6 1.0 79 111 A S H > S+ 0 0 4 -6,-0.4 4,-1.8 -3,-0.2 -1,-0.2 0.756 108.6 66.5 -76.8 -24.3 -52.9 -15.6 3.9 82 114 A F H X S+ 0 0 39 -4,-1.2 4,-3.6 2,-0.2 5,-0.2 0.904 91.6 61.3 -61.7 -45.8 -54.7 -16.2 0.6 83 115 A L H X S+ 0 0 89 -4,-1.7 4,-1.8 1,-0.2 -1,-0.2 0.949 111.4 34.9 -49.5 -61.7 -58.1 -16.7 2.1 84 116 A P H > S+ 0 0 4 0, 0.0 4,-2.3 0, 0.0 -1,-0.2 0.912 118.1 53.9 -64.4 -37.1 -58.5 -13.3 3.7 85 117 A W H X S+ 0 0 4 -4,-1.8 4,-2.2 1,-0.2 -2,-0.2 0.947 107.0 51.4 -59.6 -46.9 -56.6 -11.7 0.8 86 118 A N H X S+ 0 0 26 -4,-3.6 4,-2.8 1,-0.2 -1,-0.2 0.862 108.1 51.8 -58.3 -38.2 -59.0 -13.2 -1.7 87 119 A E H X S+ 0 0 76 -4,-1.8 4,-1.6 -5,-0.2 -1,-0.2 0.929 107.6 51.7 -66.0 -42.5 -62.0 -11.9 0.3 88 120 A I H X S+ 0 0 0 -4,-2.3 4,-1.2 1,-0.2 -2,-0.2 0.917 112.4 48.5 -58.1 -40.0 -60.5 -8.4 0.2 89 121 A Y H X S+ 0 0 66 -4,-2.2 4,-2.5 1,-0.2 3,-0.4 0.923 107.9 51.4 -65.1 -48.3 -60.2 -8.9 -3.5 90 122 A E H < S+ 0 0 114 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.756 114.3 46.7 -61.8 -24.9 -63.7 -10.2 -4.2 91 123 A I H < S+ 0 0 65 -4,-1.6 -1,-0.2 -5,-0.2 -2,-0.2 0.692 126.3 24.2 -91.2 -22.6 -65.1 -7.1 -2.3 92 124 A A H >< S+ 0 0 0 -4,-1.2 3,-0.5 -3,-0.4 -2,-0.2 0.451 85.6 103.0-123.2 -2.0 -63.0 -4.4 -3.9 93 125 A K T 3< S+ 0 0 83 -4,-2.5 2,-0.5 1,-0.3 -3,-0.1 0.850 92.7 40.1 -51.2 -34.8 -62.0 -5.8 -7.3 94 126 A D T 3 S+ 0 0 138 -4,-0.2 2,-0.3 -5,-0.2 -1,-0.3 -0.713 83.7 118.4-121.3 82.9 -64.7 -3.5 -8.8 95 127 A S < - 0 0 26 -2,-0.5 -3,-0.0 -3,-0.5 -4,-0.0 -0.973 46.6-159.1-147.2 128.6 -64.8 -0.1 -7.1 96 128 A D + 0 0 162 -2,-0.3 -1,-0.1 4,-0.0 5,-0.1 0.711 67.0 112.8 -75.4 -21.1 -64.2 3.3 -8.5 97 129 A S > - 0 0 42 1,-0.2 4,-1.8 -3,-0.1 3,-0.4 -0.341 60.7-156.0 -54.8 106.7 -63.5 4.4 -5.0 98 130 A P H > S+ 0 0 78 0, 0.0 4,-1.5 0, 0.0 -1,-0.2 0.791 91.9 62.6 -59.1 -22.4 -59.8 5.2 -5.0 99 131 A S H > S+ 0 0 42 2,-0.2 4,-1.9 1,-0.2 3,-0.1 0.931 105.1 41.6 -66.9 -48.4 -59.9 4.5 -1.3 100 132 A E H > S+ 0 0 15 -3,-0.4 4,-1.9 1,-0.2 -1,-0.2 0.792 112.6 57.3 -69.9 -25.0 -60.9 0.9 -1.7 101 133 A Q H X S+ 0 0 43 -4,-1.8 4,-1.5 2,-0.2 -1,-0.2 0.828 105.6 49.8 -71.7 -31.0 -58.4 0.8 -4.5 102 134 A A H X S+ 0 0 0 -4,-1.5 4,-1.4 -5,-0.2 -2,-0.2 0.871 109.4 52.4 -72.1 -38.5 -55.7 1.9 -2.0 103 135 A I H X S+ 0 0 7 -4,-1.9 4,-2.0 1,-0.2 -2,-0.2 0.865 108.9 48.8 -65.7 -39.2 -56.8 -0.8 0.4 104 136 A L H X S+ 0 0 9 -4,-1.9 4,-2.0 1,-0.2 -1,-0.2 0.882 109.2 52.0 -71.7 -36.4 -56.5 -3.5 -2.2 105 137 A E H X S+ 0 0 7 -4,-1.5 4,-1.7 2,-0.2 -1,-0.2 0.801 111.4 47.1 -69.2 -29.4 -53.0 -2.4 -3.4 106 138 A I H X S+ 0 0 4 -4,-1.4 4,-2.6 2,-0.2 5,-0.2 0.897 110.5 52.3 -76.1 -40.4 -51.8 -2.5 0.2 107 139 A A H X S+ 0 0 0 -4,-2.0 4,-2.7 1,-0.2 -2,-0.2 0.878 109.9 50.4 -60.8 -36.8 -53.4 -5.9 0.7 108 140 A N H X S+ 0 0 23 -4,-2.0 4,-1.9 2,-0.2 -1,-0.2 0.912 107.5 52.1 -68.7 -40.5 -51.5 -7.0 -2.4 109 141 A I H X S+ 0 0 0 -4,-1.7 4,-1.6 2,-0.2 -2,-0.2 0.934 113.0 45.6 -60.5 -43.7 -48.2 -5.6 -1.1 110 142 A V H X S+ 0 0 0 -4,-2.6 4,-1.6 1,-0.2 3,-0.3 0.945 110.6 52.6 -63.4 -48.3 -48.7 -7.6 2.1 111 143 A R H X S+ 0 0 17 -4,-2.7 4,-2.1 1,-0.2 -1,-0.2 0.795 109.1 52.0 -60.5 -26.2 -49.8 -10.7 0.2 112 144 A N H X S+ 0 0 0 -4,-1.9 4,-1.6 2,-0.2 -1,-0.2 0.839 101.2 55.8 -81.6 -33.2 -46.6 -10.5 -1.8 113 145 A I H X S+ 0 0 3 -4,-1.6 4,-1.1 -3,-0.3 -1,-0.2 0.902 114.9 45.5 -61.5 -35.6 -44.1 -10.2 1.1 114 146 A A H X S+ 0 0 3 -4,-1.6 4,-1.7 1,-0.2 -2,-0.2 0.928 112.4 46.1 -70.6 -51.4 -45.8 -13.5 2.1 115 147 A W H X S+ 0 0 0 -4,-2.1 4,-2.6 1,-0.2 -1,-0.2 0.648 103.5 64.6 -71.0 -14.5 -45.8 -15.2 -1.2 116 148 A L H X S+ 0 0 1 -4,-1.6 4,-2.3 2,-0.2 -1,-0.2 0.935 105.3 45.3 -70.6 -45.3 -42.2 -14.2 -1.8 117 149 A R H X S+ 0 0 12 -4,-1.1 4,-0.6 -3,-0.2 -2,-0.2 0.903 112.3 54.0 -61.2 -40.2 -41.3 -16.4 1.2 118 150 A A H >X>S+ 0 0 0 -4,-1.7 4,-2.9 -41,-0.4 3,-1.0 0.941 110.6 43.1 -61.3 -49.6 -43.6 -19.1 -0.3 119 151 A T H 3X5S+ 0 0 0 -4,-2.6 4,-1.4 1,-0.3 -1,-0.2 0.847 111.5 55.0 -65.8 -35.1 -41.9 -19.2 -3.7 120 152 A D H 3<5S+ 0 0 1 -4,-2.3 -1,-0.3 -5,-0.2 -2,-0.2 0.581 115.4 41.0 -73.7 -9.7 -38.5 -19.1 -2.1 121 153 A V H <<5S+ 0 0 0 -3,-1.0 350,-2.7 -4,-0.6 -2,-0.2 0.803 133.4 16.0-104.1 -42.0 -39.5 -22.1 -0.1 122 154 A F H <5S- 0 0 2 -4,-2.9 -3,-0.2 1,-0.3 -2,-0.2 0.751 88.3-143.8-103.2 -28.9 -41.4 -24.3 -2.6 123 155 A G S < S+ 0 0 4 -2,-1.5 3,-0.6 2,-0.1 -1,-0.2 0.926 70.6 33.6 -89.7 -54.9 -49.3 -16.6 -8.4 128 160 A N T 3 S+ 0 0 81 -3,-0.3 -2,-0.1 1,-0.2 11,-0.1 0.827 114.6 55.6 -73.8 -34.1 -51.3 -15.5 -11.5 129 161 A S T > S+ 0 0 14 9,-0.5 3,-2.1 2,-0.1 2,-0.3 0.551 79.1 131.1 -76.0 -4.2 -54.2 -17.9 -11.1 130 162 A A T < S+ 0 0 14 -3,-0.6 -3,-0.1 1,-0.3 0, 0.0 -0.304 78.0 5.3 -55.2 109.3 -54.7 -16.4 -7.6 131 163 A G T 3 S+ 0 0 19 -2,-0.3 -1,-0.3 3,-0.1 -2,-0.1 0.606 86.9 124.5 93.1 14.7 -58.3 -15.4 -7.2 132 164 A D S < S- 0 0 95 -3,-2.1 2,-0.5 2,-0.1 -2,-0.1 0.125 75.7-122.9 -92.7 20.5 -59.7 -16.9 -10.4 133 165 A G + 0 0 77 1,-0.2 -1,-0.1 -4,-0.1 -3,-0.1 0.253 58.2 155.1 60.9 -17.5 -62.2 -19.0 -8.6 134 166 A S - 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0 0 87 -3,-1.9 2,-0.7 1,-0.1 -2,-0.1 0.340 64.7-132.2 -79.7 8.1 23.2 18.2 48.3 647 165 B G + 0 0 76 1,-0.2 -1,-0.1 -4,-0.1 -3,-0.1 0.214 57.1 145.9 63.7 -21.7 25.7 16.6 45.8 648 166 B S - 0 0 52 -2,-0.7 -1,-0.2 -5,-0.2 -3,-0.1 -0.159 58.7-127.9 -48.8 135.7 25.1 13.3 47.7 649 167 B I S S+ 0 0 153 1,-0.3 -1,-0.1 -3,-0.1 -2,-0.1 0.847 102.6 29.9 -56.0 -33.8 25.3 10.3 45.3 650 168 B A S S- 0 0 11 345,-0.1 -1,-0.3 346,-0.0 -2,-0.1 -0.861 85.7-148.5-134.7 100.6 21.9 9.2 46.8 651 169 B P - 0 0 39 0, 0.0 2,-0.4 0, 0.0 346,-0.2 -0.078 15.9-116.7 -62.8 161.4 19.5 11.9 48.1 652 170 B K - 0 0 99 -13,-0.0 -9,-0.6 346,-0.0 2,-0.3 -0.837 25.8-126.9-103.8 137.1 16.9 11.5 50.9 653 171 B F - 0 0 10 344,-0.4 2,-0.5 -2,-0.4 -13,-0.2 -0.667 11.1-141.5 -90.4 137.9 13.2 11.8 50.3 654 172 B D B -K 639 0K 25 -15,-1.6 -15,-0.8 -2,-0.3 5,-0.2 -0.827 25.8-116.8 -96.2 122.2 10.9 14.1 52.2 655 173 B S > - 0 0 24 -2,-0.5 4,-2.3 -17,-0.2 3,-0.3 -0.171 39.6 -99.1 -50.7 154.6 7.4 12.7 53.1 656 174 B Q H > S+ 0 0 7 348,-0.3 4,-2.3 1,-0.2 -1,-0.1 0.809 125.6 55.4 -49.3 -34.6 4.7 14.7 51.4 657 175 B E H > S+ 0 0 71 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.967 109.0 46.0 -63.4 -51.9 4.1 16.6 54.6 658 176 B V H > S+ 0 0 50 -3,-0.3 4,-2.5 1,-0.2 5,-0.3 0.958 112.1 51.4 -52.5 -57.0 7.8 17.7 54.8 659 177 B V H X S+ 0 0 0 -4,-2.3 4,-2.0 1,-0.2 -1,-0.2 0.875 110.7 49.6 -48.2 -47.2 7.9 18.6 51.1 660 178 B Y H X S+ 0 0 1 -4,-2.3 4,-2.0 -5,-0.2 -1,-0.2 0.979 112.3 43.4 -60.2 -60.9 4.8 20.8 51.5 661 179 B R H X S+ 0 0 90 -4,-2.2 4,-2.0 1,-0.2 3,-0.2 0.941 112.7 53.2 -49.3 -56.6 5.8 22.8 54.5 662 180 B S H X S+ 0 0 22 -4,-2.5 4,-2.2 1,-0.2 -1,-0.2 0.892 108.4 51.8 -47.3 -46.1 9.4 23.4 53.2 663 181 B M H X S+ 0 0 2 -4,-2.0 4,-2.6 -5,-0.3 -1,-0.2 0.906 104.7 53.4 -61.6 -45.3 8.0 24.7 50.0 664 182 B L H X S+ 0 0 2 -4,-2.0 4,-2.5 -3,-0.2 -1,-0.2 0.908 109.5 50.8 -56.4 -42.2 5.7 27.3 51.6 665 183 B A H X S+ 0 0 40 -4,-2.0 4,-3.2 1,-0.2 -2,-0.2 0.963 110.5 48.0 -58.1 -55.0 8.7 28.6 53.5 666 184 B D H X S+ 0 0 51 -4,-2.2 4,-2.7 1,-0.2 -1,-0.2 0.841 111.1 51.0 -55.7 -40.5 10.8 28.9 50.3 667 185 B L H X S+ 0 0 0 -4,-2.6 4,-2.1 2,-0.2 -1,-0.2 0.939 112.0 46.5 -64.8 -46.8 7.9 30.7 48.5 668 186 B S H X S+ 0 0 14 -4,-2.5 4,-1.9 2,-0.2 3,-0.3 0.964 113.5 49.6 -56.9 -53.4 7.5 33.2 51.4 669 187 B K H X S+ 0 0 129 -4,-3.2 4,-1.9 1,-0.3 5,-0.3 0.899 111.1 48.6 -51.4 -48.4 11.3 33.7 51.4 670 188 B S H X S+ 0 0 2 -4,-2.7 4,-1.6 1,-0.2 -1,-0.3 0.831 106.9 56.9 -64.5 -32.7 11.4 34.2 47.7 671 189 B V H X S+ 0 0 5 -4,-2.1 4,-1.1 -3,-0.3 -1,-0.2 0.890 107.8 49.8 -65.5 -38.2 8.5 36.7 48.0 672 190 B E H >X S+ 0 0 120 -4,-1.9 3,-1.3 2,-0.2 4,-0.9 0.986 110.6 43.6 -63.7 -65.0 10.6 38.8 50.4 673 191 B L H 3X S+ 0 0 38 -4,-1.9 4,-0.9 1,-0.3 3,-0.3 0.831 116.7 51.6 -52.2 -34.1 13.9 39.1 48.6 674 192 B L H 3< S+ 0 0 0 -4,-1.6 -1,-0.3 -5,-0.3 -2,-0.2 0.694 99.1 59.7 -80.2 -20.4 11.9 39.8 45.4 675 193 B N H << S+ 0 0 59 -3,-1.3 -1,-0.2 -4,-1.1 -2,-0.2 0.678 102.6 58.8 -77.8 -16.2 9.7 42.6 46.9 676 194 B T H < S+ 0 0 99 -4,-0.9 -2,-0.2 -3,-0.3 -1,-0.2 0.897 92.9 77.0 -76.8 -43.6 13.0 44.3 47.5 677 195 B I < + 0 0 10 -4,-0.9 3,-0.1 1,-0.1 -64,-0.0 -0.079 50.0 175.2 -61.8 166.9 14.1 44.4 43.8 678 196 B S + 0 0 103 1,-0.1 2,-0.3 2,-0.0 -1,-0.1 0.335 48.3 83.8-157.6 2.2 12.6 46.9 41.4 679 197 B Y S S- 0 0 93 1,-0.0 14,-0.2 13,-0.0 2,-0.1 -0.824 86.2 -88.2-114.7 155.7 14.4 46.5 38.0 680 198 B S - 0 0 75 -2,-0.3 2,-0.4 12,-0.1 12,-0.2 -0.379 41.4-150.4 -62.5 131.6 13.7 44.1 35.2 681 199 B V - 0 0 15 10,-1.8 10,-0.1 1,-0.2 5,-0.1 -0.915 63.1 -31.5-110.3 131.5 15.7 40.9 35.5 682 200 B M S >> S+ 0 0 32 -2,-0.4 3,-2.0 1,-0.2 4,-0.8 0.751 71.4 166.8 29.7 48.7 16.8 38.8 32.5 683 201 B A T 34 S+ 0 0 24 1,-0.3 3,-0.3 7,-0.2 -1,-0.2 0.790 72.2 62.0 -58.2 -26.9 13.8 39.9 30.4 684 202 B Q T 34 S+ 0 0 119 1,-0.2 -1,-0.3 6,-0.1 -2,-0.1 0.700 113.0 35.7 -71.3 -19.7 15.6 38.5 27.4 685 203 B Y T <4 S+ 0 0 32 -3,-2.0 2,-0.7 -4,-0.1 -1,-0.2 0.385 95.3 97.9-113.2 -0.4 15.5 35.1 29.0 686 204 B D < + 0 0 2 -4,-0.8 4,-0.4 -3,-0.3 6,-0.1 -0.820 39.3 172.4 -96.1 112.8 12.1 35.4 30.7 687 205 B L S S+ 0 0 22 -2,-0.7 58,-0.3 2,-0.1 -1,-0.2 0.690 76.4 46.7 -89.4 -22.0 9.4 33.8 28.6 688 206 B I S S+ 0 0 19 56,-0.1 55,-0.3 1,-0.1 -1,-0.1 0.927 130.3 6.7 -87.1 -50.4 6.6 34.1 31.2 689 207 B Y S > S- 0 0 12 53,-0.1 3,-1.6 51,-0.0 6,-0.2 0.221 88.4-121.4-122.4 14.7 6.8 37.6 32.6 690 208 B N T 3 S- 0 0 99 -4,-0.4 2,-0.6 1,-0.3 -7,-0.2 0.901 74.0 -54.3 45.3 57.0 9.3 39.5 30.4 691 209 B G T 3 S+ 0 0 1 -9,-0.3 -10,-1.8 1,-0.2 2,-0.8 0.104 98.3 138.2 71.8 -27.7 11.7 40.5 33.2 692 210 B N <> - 0 0 73 -3,-1.6 4,-1.2 -2,-0.6 3,-0.2 -0.343 33.5-171.7 -55.8 99.4 8.8 42.1 35.2 693 211 B V H > S+ 0 0 7 -2,-0.8 4,-1.3 1,-0.2 -1,-0.2 0.781 76.4 68.8 -66.3 -28.7 9.7 40.9 38.7 694 212 B Q H >> S+ 0 0 100 1,-0.2 4,-1.6 2,-0.2 3,-1.0 0.949 99.1 48.4 -56.2 -51.4 6.4 42.3 40.1 695 213 B N H 3> S+ 0 0 32 1,-0.3 4,-2.2 -3,-0.2 5,-0.2 0.926 106.1 58.3 -54.5 -46.7 4.4 39.7 38.2 696 214 B W H 3X S+ 0 0 2 -4,-1.2 4,-1.7 1,-0.2 -1,-0.3 0.799 103.0 55.3 -54.2 -29.1 6.8 37.0 39.5 697 215 B V H X S+ 0 0 1 -4,-2.1 3,-2.6 1,-0.2 4,-0.8 0.983 108.2 40.0 -52.2 -70.5 -2.7 26.7 51.2 709 227 B V H >< S+ 0 0 0 -4,-2.1 3,-0.9 1,-0.3 -1,-0.2 0.837 106.4 68.3 -49.6 -37.8 -6.2 25.5 50.2 710 228 B R H 3< S+ 0 0 2 -4,-2.5 -1,-0.3 -5,-0.3 -2,-0.2 0.761 109.2 36.0 -55.6 -25.2 -4.6 22.1 49.3 711 229 B V H XX S+ 0 0 1 -3,-2.6 3,-2.2 -4,-0.8 4,-1.5 0.524 80.7 103.6-109.8 -4.1 -3.9 21.6 52.9 712 230 B H T << S+ 0 0 13 -3,-0.9 4,-0.2 -4,-0.8 -1,-0.1 0.429 84.3 53.7 -61.5 5.4 -6.9 23.1 54.8 713 231 B F T 34 S+ 0 0 53 -3,-0.2 307,-0.3 2,-0.2 -1,-0.3 0.520 117.1 32.6-113.3 -12.9 -8.3 19.6 55.3 714 232 B I T <4 S+ 0 0 67 -3,-2.2 -2,-0.2 1,-0.2 2,-0.1 0.347 139.1 9.2-120.5 -1.8 -5.2 18.1 57.0 715 233 B D X + 0 0 38 -4,-1.5 4,-1.3 2,-0.1 -1,-0.2 -0.389 51.6 177.7 179.4 94.3 -4.1 21.3 58.7 716 234 B E H > S+ 0 0 96 -4,-0.2 4,-2.9 2,-0.2 5,-0.1 0.710 84.3 62.2 -76.6 -20.4 -6.1 24.5 58.9 717 235 B T H > S+ 0 0 111 2,-0.2 4,-1.5 1,-0.2 -1,-0.1 0.999 106.3 39.9 -64.6 -71.0 -3.3 26.2 61.0 718 236 B L H > S+ 0 0 5 1,-0.2 4,-1.5 2,-0.2 5,-0.3 0.846 119.2 51.8 -45.4 -40.5 -0.5 26.0 58.5 719 237 B A H X S+ 0 0 1 -4,-1.3 4,-1.8 1,-0.2 -1,-0.2 0.978 108.6 45.1 -63.5 -58.6 -3.1 26.9 55.9 720 238 B K H X S+ 0 0 93 -4,-2.9 4,-0.6 1,-0.2 -1,-0.2 0.651 110.7 67.5 -60.5 -12.3 -4.5 30.0 57.6 721 239 B E H >X S+ 0 0 90 -4,-1.5 4,-1.0 -5,-0.1 3,-0.6 0.993 111.4 18.9 -70.3 -80.6 -0.8 30.8 58.1 722 240 B Y H 3X S+ 0 0 30 -4,-1.5 4,-2.7 1,-0.2 -2,-0.2 0.624 111.6 78.8 -70.3 -14.8 0.7 31.5 54.7 723 241 B I H 3X S+ 0 0 0 -4,-1.8 4,-2.3 -5,-0.3 -1,-0.2 0.920 97.1 41.8 -61.3 -45.8 -2.7 32.2 53.2 724 242 B T H < - 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