==== 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 SUGAR BINDING PROTEIN 07-APR-09 3GZS . COMPND 2 MOLECULE: UNCHARACTERIZED SUSD SUPERFAMILY PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: BACTEROIDES FRAGILIS; . AUTHOR JOINT CENTER FOR STRUCTURAL GENOMICS (JCSG) . 990 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 34544.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 667 67.4 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 . 47 4.7 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 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 0.4 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 . 52 5.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 99 10.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 381 38.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 30 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 6 0 2 4 2 4 0 4 0 4 0 4 0 0 2 0 0 0 2 2 0 0 0 2 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 . 7 5 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 0 0 ANTIPARALLEL BRIDGES PER LADDER . 9 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 48 A G > 0 0 75 0, 0.0 3,-1.4 0, 0.0 4,-0.3 0.000 360.0 360.0 360.0 85.2 59.0 -16.8 26.0 2 49 A V G > + 0 0 128 1,-0.3 3,-1.9 2,-0.2 4,-0.4 0.816 360.0 72.3 -60.1 -31.7 57.5 -18.8 23.1 3 50 A I G > S+ 0 0 54 1,-0.3 3,-0.6 2,-0.1 4,-0.5 0.819 96.7 51.1 -52.2 -34.3 54.3 -16.7 23.4 4 51 A Y G <> S+ 0 0 21 -3,-1.4 4,-2.3 1,-0.2 -1,-0.3 0.537 85.9 87.6 -82.2 -8.7 56.2 -13.7 21.9 5 52 A G G <4 S+ 0 0 18 -3,-1.9 -1,-0.2 -4,-0.3 -2,-0.1 0.717 89.1 48.1 -65.3 -23.3 57.6 -15.7 18.9 6 53 A A T <> S+ 0 0 58 -3,-0.6 4,-0.9 -4,-0.4 -1,-0.2 0.917 118.3 36.1 -81.3 -44.1 54.5 -15.0 16.8 7 54 A Y H > S+ 0 0 66 -4,-0.5 4,-2.4 2,-0.2 -2,-0.2 0.840 106.2 61.2 -83.4 -39.4 54.3 -11.2 17.4 8 55 A L H X S+ 0 0 3 -4,-2.3 4,-2.2 2,-0.2 5,-0.2 0.932 106.4 44.7 -60.2 -51.6 57.9 -9.9 17.6 9 56 A P H > S+ 0 0 12 0, 0.0 4,-2.6 0, 0.0 -1,-0.2 0.942 114.0 51.4 -58.6 -43.8 59.0 -11.0 14.1 10 57 A N H X S+ 0 0 78 -4,-0.9 4,-0.8 1,-0.2 -2,-0.2 0.890 109.0 50.7 -57.5 -40.9 55.7 -9.6 12.6 11 58 A L H >< S+ 0 0 0 -4,-2.4 3,-0.7 1,-0.2 4,-0.4 0.932 112.6 46.0 -64.2 -44.4 56.2 -6.3 14.4 12 59 A E H >X S+ 0 0 0 -4,-2.2 3,-1.0 1,-0.2 4,-0.6 0.863 109.7 54.6 -65.2 -37.6 59.8 -6.0 13.0 13 60 A K H 3<>S+ 0 0 25 -4,-2.6 5,-1.0 1,-0.2 -1,-0.2 0.660 103.0 59.2 -71.2 -12.1 58.6 -7.0 9.5 14 61 A S T <<5S+ 0 0 17 -4,-0.8 -1,-0.2 -3,-0.7 -2,-0.2 0.584 85.2 76.6 -91.2 -13.1 56.1 -4.1 9.6 15 62 A V T <45S- 0 0 2 -3,-1.0 -2,-0.1 -4,-0.4 -1,-0.1 0.960 123.4 -1.1 -63.4 -53.6 58.7 -1.3 10.1 16 63 A I T <5S- 0 0 8 -4,-0.6 -1,-0.4 2,-0.1 15,-0.1 -0.959 104.2-101.5-133.7 115.5 59.7 -1.4 6.4 17 64 A P T 5 + 0 0 10 0, 0.0 2,-0.3 0, 0.0 -3,-0.2 -0.122 67.8 129.7 -49.1 121.6 57.6 -4.1 4.7 18 65 A I < + 0 0 4 -5,-1.0 2,-0.3 222,-0.1 222,-0.1 -0.960 23.6 169.6-166.1 156.2 59.7 -7.3 4.2 19 66 A G B -A 239 0A 0 220,-0.5 220,-2.5 -2,-0.3 6,-0.1 -0.910 35.4 -72.2-157.8-172.7 59.4 -11.0 4.8 20 67 A T > - 0 0 24 -2,-0.3 4,-1.1 218,-0.2 3,-0.3 -0.202 57.8 -90.0 -81.3 179.6 60.8 -14.5 4.3 21 68 A A T >4 S+ 0 0 70 216,-0.4 3,-0.8 1,-0.2 217,-0.1 0.933 127.8 48.0 -59.5 -48.1 60.6 -16.5 1.0 22 69 A S T 34 S+ 0 0 119 1,-0.2 -1,-0.2 3,-0.1 0, 0.0 0.777 117.3 44.3 -63.2 -26.2 57.2 -18.1 1.8 23 70 A E T 34 S+ 0 0 63 -3,-0.3 3,-0.3 2,-0.1 -1,-0.2 0.585 95.9 110.5 -95.3 -10.7 55.9 -14.7 2.8 24 71 A S << + 0 0 27 -4,-1.1 2,-1.6 -3,-0.8 -4,-0.1 0.119 57.2 35.1 -79.4 175.2 57.2 -12.6 -0.1 25 72 A T S > S+ 0 0 44 1,-0.2 4,-1.8 -6,-0.1 -1,-0.2 -0.331 108.4 68.9 75.2 -48.4 55.8 -10.8 -3.2 26 73 A E H > S+ 0 0 90 -2,-1.6 4,-0.7 -3,-0.3 3,-0.3 0.958 108.4 34.8 -56.8 -53.7 52.7 -9.9 -1.1 27 74 A P H > S+ 0 0 3 0, 0.0 4,-2.2 0, 0.0 -1,-0.2 0.689 108.1 68.5 -72.5 -21.1 54.7 -7.5 1.1 28 75 A V H > S+ 0 0 2 1,-0.2 4,-2.8 2,-0.2 -2,-0.2 0.911 96.7 54.4 -60.3 -38.9 56.8 -6.6 -2.0 29 76 A N H X S+ 0 0 49 -4,-1.8 4,-1.8 -3,-0.3 -1,-0.2 0.814 107.1 49.7 -63.9 -31.9 53.7 -4.9 -3.3 30 77 A R H X S+ 0 0 59 -4,-0.7 4,-2.9 2,-0.2 5,-0.3 0.900 112.1 47.6 -70.9 -44.4 53.4 -2.8 -0.1 31 78 A Y H X>S+ 0 0 11 -4,-2.2 5,-2.2 2,-0.2 4,-1.8 0.907 110.0 53.8 -61.3 -40.8 57.1 -1.9 -0.5 32 79 A Q H <>S+ 0 0 18 -4,-2.8 5,-2.5 3,-0.2 6,-0.2 0.928 119.4 32.1 -61.8 -45.9 56.5 -1.0 -4.2 33 80 A I H <5S+ 0 0 23 -4,-1.8 -2,-0.2 3,-0.2 -1,-0.2 0.902 124.3 43.1 -79.6 -41.8 53.6 1.4 -3.5 34 81 A G H <5S+ 0 0 3 -4,-2.9 5,-0.5 -5,-0.2 -3,-0.2 0.623 136.2 4.5 -81.9 -17.3 54.7 2.7 -0.1 35 82 A V T ><>S+ 0 0 4 -4,-1.8 5,-2.6 -5,-0.3 3,-0.8 0.577 126.2 48.6-130.0 -59.5 58.4 3.3 -0.8 36 83 A N T 3 5S+ 0 0 0 -3,-0.8 4,-2.9 -6,-0.2 3,-0.8 0.446 127.8 6.9-112.1-104.6 56.5 7.1 -3.1 39 86 A G H 3>5S+ 0 0 0 -5,-0.5 4,-2.3 1,-0.3 6,-0.3 0.828 128.3 56.5 -53.5 -39.8 59.7 8.4 -1.4 40 87 A D H 34XS+ 0 0 0 -5,-2.6 6,-1.7 2,-0.2 5,-1.6 0.883 115.0 39.6 -59.6 -40.2 62.1 6.8 -3.9 41 88 A A H X45S+ 0 0 4 -3,-0.8 3,-1.0 -6,-0.5 -2,-0.2 0.936 118.3 45.7 -73.1 -48.9 60.3 8.7 -6.7 42 89 A W H 3<5S+ 0 0 13 -4,-2.9 -2,-0.2 1,-0.3 -3,-0.2 0.731 113.9 48.5 -71.8 -23.7 59.8 11.9 -4.8 43 90 A A T 3<5S- 0 0 0 -4,-2.3 -1,-0.3 -5,-0.3 -2,-0.2 0.413 114.7-115.0 -94.8 -2.1 63.4 12.0 -3.5 44 91 A G T < 5S+ 0 0 4 -3,-1.0 214,-2.2 2,-0.2 215,-0.3 0.611 80.5 119.9 83.1 13.2 64.8 11.2 -7.0 45 92 A Y S > + 0 0 96 -2,-2.1 4,-0.9 3,-0.1 3,-0.8 0.600 24.8 125.8-106.2 -14.2 51.7 2.9 -16.7 53 100 A F H 3> S- 0 0 34 -3,-0.3 4,-1.2 1,-0.2 3,-0.2 -0.179 84.0 -5.0 -60.7 135.3 50.1 2.4 -13.3 54 101 A N H >4 S- 0 0 63 1,-0.2 3,-0.9 2,-0.2 -1,-0.2 0.915 136.3 -48.2 48.9 52.9 46.4 3.4 -13.0 55 102 A G H <4 S- 0 0 68 -3,-0.8 -1,-0.2 1,-0.2 -2,-0.2 0.872 106.5 -59.7 58.6 37.6 46.3 4.8 -16.5 56 103 A S H 3< S+ 0 0 12 -4,-0.9 2,-0.4 -3,-0.2 -1,-0.2 0.775 114.2 114.4 59.4 33.2 49.5 6.7 -15.9 57 104 A K << + 0 0 54 -4,-1.2 2,-0.2 -3,-0.9 -1,-0.1 -0.885 44.4 110.3-130.4 98.7 47.9 8.7 -13.0 58 105 A N S > >S- 0 0 0 -2,-0.4 5,-2.4 6,-0.1 3,-1.3 -0.775 82.8 -60.5-152.4-171.4 49.7 7.8 -9.8 59 106 A F G > 5S+ 0 0 0 1,-0.2 3,-1.6 3,-0.2 5,-0.1 0.806 120.7 66.2 -52.5 -36.0 52.1 8.9 -7.1 60 107 A T G 3 5S+ 0 0 1 1,-0.3 -1,-0.2 2,-0.1 -22,-0.0 0.770 111.2 34.0 -65.0 -25.7 55.0 9.5 -9.6 61 108 A N G < 5S- 0 0 0 -3,-1.3 376,-2.8 2,-0.2 -1,-0.3 0.039 124.9 -99.4-115.4 26.8 53.0 12.4 -11.3 62 109 A Y T < 5S+ 0 0 20 -3,-1.6 2,-0.9 1,-0.2 377,-0.7 0.496 76.3 140.1 73.0 13.4 51.4 13.5 -8.1 63 110 A F < - 0 0 45 -5,-2.4 2,-1.9 375,-0.3 -1,-0.2 -0.769 46.5-147.0 -86.6 110.1 48.0 11.9 -8.5 64 111 A X - 0 0 6 -2,-0.9 2,-0.2 -3,-0.1 -6,-0.1 -0.572 17.7-149.8 -82.5 80.1 47.3 10.6 -5.0 65 112 A Y >> - 0 0 57 -2,-1.9 4,-2.1 1,-0.1 3,-0.6 -0.326 6.3-139.8 -59.6 120.5 45.3 7.5 -6.0 66 113 A E H 3> S+ 0 0 43 1,-0.2 4,-2.5 2,-0.2 394,-0.3 0.803 98.9 53.3 -50.9 -43.5 42.7 6.7 -3.4 67 114 A N H 3> S+ 0 0 96 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.900 110.9 47.3 -63.1 -42.2 43.2 2.9 -3.5 68 115 A W H <> S+ 0 0 27 -3,-0.6 4,-3.0 2,-0.2 -2,-0.2 0.894 111.6 50.0 -64.6 -43.7 47.0 3.3 -2.9 69 116 A V H X S+ 0 0 3 -4,-2.1 4,-2.4 2,-0.2 5,-0.2 0.918 110.4 50.0 -63.7 -42.7 46.4 5.7 0.0 70 117 A N H X S+ 0 0 41 -4,-2.5 4,-2.1 2,-0.2 -2,-0.2 0.940 114.1 47.4 -56.4 -46.2 43.9 3.3 1.7 71 118 A Y H X S+ 0 0 62 -4,-2.0 4,-2.1 2,-0.2 5,-0.2 0.937 111.7 47.7 -61.7 -51.8 46.5 0.5 1.3 72 119 A V H X S+ 0 0 1 -4,-3.0 4,-2.1 1,-0.2 -1,-0.2 0.919 111.6 49.7 -60.1 -44.8 49.4 2.5 2.6 73 120 A Y H X S+ 0 0 10 -4,-2.4 4,-1.2 1,-0.2 5,-0.4 0.942 109.1 54.6 -59.5 -44.6 47.6 3.7 5.7 74 121 A S H X>S+ 0 0 54 -4,-2.1 5,-1.4 1,-0.2 4,-0.8 0.911 113.8 37.4 -56.9 -51.2 46.4 0.2 6.4 75 122 A F H <5S+ 0 0 12 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.727 117.3 51.5 -77.5 -19.3 49.9 -1.4 6.5 76 123 A X H <5S+ 0 0 9 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.541 127.7 19.9 -89.7 -10.3 51.6 1.6 8.2 77 124 A V H >X5S+ 0 0 13 -4,-1.2 4,-2.8 -3,-0.5 3,-0.7 0.641 128.7 36.3-118.9 -69.3 49.0 1.7 11.0 78 125 A T H 3X5S+ 0 0 71 -4,-0.8 4,-2.2 -5,-0.4 -3,-0.2 0.885 117.6 50.4 -59.9 -45.0 47.0 -1.6 11.4 79 126 A D H 34 S+ 0 0 1 -3,-0.7 4,-1.5 2,-0.1 -2,-0.2 0.922 116.8 44.0 -83.4 -51.0 52.2 -2.0 13.2 81 128 A Y H X S+ 0 0 14 -4,-2.8 4,-2.7 1,-0.2 5,-0.2 0.784 103.0 65.1 -65.7 -34.0 49.7 -1.7 16.0 82 129 A S H X S+ 0 0 59 -4,-2.2 4,-1.5 -5,-0.3 -1,-0.2 0.970 109.4 34.7 -58.7 -59.1 48.3 -5.2 15.9 83 130 A P H > S+ 0 0 13 0, 0.0 4,-1.9 0, 0.0 -1,-0.2 0.900 117.5 55.5 -63.8 -36.3 51.4 -7.1 16.9 84 131 A W H X S+ 0 0 20 -4,-1.5 4,-2.9 1,-0.2 -2,-0.2 0.929 105.9 51.2 -60.5 -44.7 52.5 -4.3 19.3 85 132 A X H X S+ 0 0 76 -4,-2.7 4,-2.8 1,-0.2 -1,-0.2 0.866 109.1 50.5 -59.8 -40.3 49.2 -4.4 21.2 86 133 A Q H X S+ 0 0 62 -4,-1.5 4,-1.9 2,-0.2 -1,-0.2 0.861 111.7 47.5 -68.1 -36.2 49.5 -8.2 21.8 87 134 A I H X S+ 0 0 3 -4,-1.9 4,-2.8 2,-0.2 5,-0.3 0.910 113.0 49.2 -69.4 -42.0 53.1 -7.8 23.1 88 135 A K H X>S+ 0 0 54 -4,-2.9 4,-2.4 2,-0.2 5,-0.9 0.947 110.0 51.1 -61.0 -48.5 51.9 -4.9 25.3 89 136 A R H X5S+ 0 0 87 -4,-2.8 4,-1.2 3,-0.2 -2,-0.2 0.920 117.7 38.0 -55.0 -48.6 49.0 -7.0 26.7 90 137 A I H <5S+ 0 0 30 -4,-1.9 4,-0.3 1,-0.2 -1,-0.2 0.891 123.2 40.3 -72.7 -40.9 51.2 -10.0 27.5 91 138 A S H <5S+ 0 0 0 -4,-2.8 7,-3.2 -5,-0.2 -2,-0.2 0.671 133.7 16.8 -83.4 -21.0 54.3 -8.1 28.8 92 139 A Q H <5S+ 0 0 9 -4,-2.4 -3,-0.2 -5,-0.3 -2,-0.2 0.667 125.7 42.6-123.6 -30.2 52.5 -5.3 30.7 93 140 A D S < + 0 0 45 -7,-3.2 4,-1.6 1,-0.1 3,-0.2 -0.831 16.9 174.7-122.7 88.3 58.2 -7.9 31.6 99 146 A D H > S+ 0 0 17 -2,-0.5 4,-2.7 1,-0.2 5,-0.2 0.803 73.6 59.2 -67.1 -34.5 59.5 -4.4 31.0 100 147 A E H > S+ 0 0 35 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.903 107.1 48.2 -62.8 -39.3 62.5 -5.3 28.9 101 148 A I H > S+ 0 0 12 2,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.902 113.4 47.6 -67.1 -37.9 60.3 -7.0 26.3 102 149 A Y H X S+ 0 0 44 -4,-1.6 4,-2.6 1,-0.2 -2,-0.2 0.904 108.8 54.0 -69.8 -39.5 58.0 -4.0 26.3 103 150 A A H X S+ 0 0 5 -4,-2.7 4,-1.8 2,-0.2 -1,-0.2 0.875 109.7 49.0 -59.6 -39.7 60.9 -1.6 25.9 104 151 A L H X S+ 0 0 1 -4,-1.8 4,-2.2 2,-0.2 -2,-0.2 0.946 111.4 47.8 -64.0 -48.8 62.0 -3.6 22.9 105 152 A A H X S+ 0 0 1 -4,-2.2 4,-2.8 1,-0.2 -2,-0.2 0.864 110.0 53.7 -61.6 -39.0 58.6 -3.5 21.3 106 153 A Q H X S+ 0 0 17 -4,-2.6 4,-2.2 2,-0.2 -1,-0.2 0.885 107.4 50.4 -61.4 -43.2 58.4 0.3 22.0 107 154 A I H X S+ 0 0 0 -4,-1.8 4,-1.9 2,-0.2 -2,-0.2 0.947 114.1 44.4 -61.9 -44.1 61.7 0.9 20.1 108 155 A I H X S+ 0 0 0 -4,-2.2 4,-1.5 1,-0.2 -2,-0.2 0.906 110.6 55.0 -68.8 -40.5 60.4 -1.1 17.1 109 156 A K H X S+ 0 0 8 -4,-2.8 4,-3.6 1,-0.2 3,-0.3 0.915 110.3 45.5 -56.4 -47.4 57.0 0.6 17.2 110 157 A I H X S+ 0 0 1 -4,-2.2 4,-2.2 1,-0.2 5,-0.3 0.867 106.6 59.8 -67.4 -33.7 58.6 4.1 17.0 111 158 A A H < S+ 0 0 2 -4,-1.9 4,-0.3 -5,-0.2 -1,-0.2 0.850 117.4 33.1 -60.8 -33.8 60.9 2.8 14.2 112 159 A A H >X S+ 0 0 2 -4,-1.5 4,-1.1 -3,-0.3 3,-0.8 0.915 119.3 48.5 -85.4 -52.2 57.7 2.1 12.3 113 160 A L H 3X S+ 0 0 0 -4,-3.6 4,-2.5 1,-0.2 5,-0.3 0.708 98.0 65.4 -70.7 -22.5 55.4 4.8 13.4 114 161 A H H 3X S+ 0 0 3 -4,-2.2 4,-2.0 -5,-0.2 -1,-0.2 0.886 104.9 49.4 -66.3 -30.2 57.8 7.8 13.0 115 162 A R H <> S+ 0 0 16 -3,-0.8 4,-1.7 -4,-0.3 -2,-0.2 0.904 109.7 52.8 -70.7 -37.8 57.6 7.0 9.2 116 163 A T H X S+ 0 0 0 -4,-1.1 4,-2.3 2,-0.2 5,-0.3 0.927 113.0 40.6 -64.9 -48.5 53.8 6.9 9.5 117 164 A T H X S+ 0 0 0 -4,-2.5 4,-2.7 2,-0.2 -1,-0.2 0.879 112.8 56.0 -69.2 -35.4 53.4 10.3 11.1 118 165 A D H < S+ 0 0 0 -4,-2.0 -1,-0.2 -5,-0.3 -2,-0.2 0.847 112.7 44.7 -61.4 -31.4 56.1 11.7 8.7 119 166 A X H < S+ 0 0 1 -4,-1.7 337,-2.9 -5,-0.1 -2,-0.2 0.904 132.4 14.5 -76.8 -47.9 53.9 10.4 5.9 120 167 A F H < S- 0 0 0 -4,-2.3 -3,-0.2 1,-0.3 -2,-0.2 0.665 88.7-137.8-105.0 -26.1 50.5 11.6 7.1 121 168 A G S < S+ 0 0 0 -4,-2.7 -1,-0.3 -5,-0.3 -2,-0.1 -0.857 78.1 37.1 99.4-126.7 51.1 14.2 9.9 122 169 A P S S+ 0 0 4 0, 0.0 17,-0.2 0, 0.0 15,-0.0 -0.304 75.4 173.9 -59.3 140.8 48.6 13.7 12.8 123 170 A I E -C 138 0C 3 15,-1.1 15,-2.8 16,-0.0 2,-0.3 -0.950 41.3 -87.0-143.5 158.5 47.9 10.1 13.5 124 171 A P E +C 137 0C 8 0, 0.0 13,-0.2 0, 0.0 12,-0.0 -0.592 69.9 128.8 -65.0 130.5 46.0 7.9 16.1 125 172 A Y > + 0 0 17 11,-0.6 3,-1.8 -2,-0.3 12,-0.1 0.245 58.7 35.6-145.9 -83.1 48.5 7.3 18.9 126 173 A S T 3 S+ 0 0 57 1,-0.3 11,-0.1 3,-0.0 10,-0.0 0.727 120.2 49.1 -61.7 -24.8 47.9 7.9 22.6 127 174 A Q 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703 254 B K H X S+ 0 0 90 -4,-2.4 4,-2.2 2,-0.2 5,-0.3 0.915 109.9 54.6 -62.8 -46.5 49.8 16.4 78.4 704 255 B E H X S+ 0 0 89 -4,-2.3 4,-1.7 1,-0.2 -2,-0.2 0.948 118.3 32.0 -51.7 -55.7 48.5 14.6 81.5 705 256 B Y H X S+ 0 0 20 -4,-2.0 4,-2.3 2,-0.2 -1,-0.2 0.765 114.1 57.4 -82.0 -27.1 48.2 11.2 79.8 706 257 B A H X S+ 0 0 0 -4,-2.4 4,-2.0 -5,-0.2 -1,-0.2 0.948 112.4 44.1 -65.3 -45.0 51.1 11.4 77.4 707 258 B E H X S+ 0 0 33 -4,-2.2 4,-1.5 -5,-0.3 -2,-0.2 0.881 111.7 52.9 -67.3 -39.3 53.4 12.1 80.4 708 259 B K H X S+ 0 0 67 -4,-1.7 4,-1.2 -5,-0.3 3,-0.3 0.941 108.9 51.1 -58.2 -47.9 51.7 9.3 82.5 709 260 B A H < S+ 0 0 1 -4,-2.3 3,-0.4 1,-0.2 -2,-0.2 0.922 114.2 41.5 -57.2 -46.3 52.3 6.8 79.6 710 261 B V H < S+ 0 0 32 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.659 116.4 48.5 -81.5 -15.5 56.0 7.6 79.2 711 262 B K H < S+ 0 0 116 -4,-1.5 -1,-0.2 -3,-0.3 -2,-0.2 0.531 80.3 114.8 -97.8 -10.0 56.8 7.8 83.0 712 263 B H >< - 0 0 44 -4,-1.2 3,-1.2 -3,-0.4 -28,-0.0 -0.424 68.2-133.9 -65.2 133.0 55.0 4.5 83.9 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35.9 792 343 B G T 3 S+ 0 0 4 -3,-0.3 -1,-0.3 -4,-0.3 -695,-0.2 0.464 92.4 111.9 -88.2 -0.5 50.4 -4.8 35.6 793 344 B F S < S- 0 0 8 -3,-1.4 -15,-0.2 1,-0.2 -696,-0.1 -0.127 80.9 -64.3 -73.0 169.6 50.8 -2.0 38.1 794 345 B T - 0 0 3 -17,-2.2 -44,-2.6 -44,-0.1 -1,-0.2 -0.270 48.5-159.7 -64.6 134.7 52.5 -2.5 41.5 795 346 B R - 0 0 69 -24,-0.4 -24,-2.4 -46,-0.2 -46,-0.2 -0.761 30.7 -92.7-107.3 154.2 51.0 -4.9 44.1 796 347 B P B -Q 770 0Q 3 0, 0.0 2,-0.9 0, 0.0 -26,-0.3 -0.372 36.0-125.0 -63.8 145.9 51.6 -4.9 47.9 797 348 B N + 0 0 58 -28,-2.3 2,-0.3 -29,-0.1 -58,-0.1 -0.840 57.4 136.8 -95.7 98.6 54.4 -7.3 48.9 798 349 B V - 0 0 15 -2,-0.9 2,-0.3 -60,-0.1 -29,-0.0 -0.998 37.4-148.5-151.3 143.9 52.7 -9.5 51.5 799 350 B H > - 0 0 111 -2,-0.3 3,-1.9 1,-0.0 -60,-0.2 -0.759 33.7-100.8-117.3 162.5 52.5 -13.2 52.4 800 351 B E T 3 S+ 0 0 98 1,-0.3 -64,-2.3 -2,-0.3 -61,-0.1 0.795 119.3 34.1 -46.7 -45.1 49.9 -15.6 53.8 801 352 B D T 3 S+ 0 0 70 -66,-0.2 -1,-0.3 -62,-0.0 -67,-0.1 0.146 81.1 134.1-105.6 18.8 51.3 -15.6 57.4 802 353 B D < - 0 0 58 -3,-1.9 -63,-0.1 1,-0.1 -76,-0.1 -0.548 61.4-110.8 -68.8 125.8 52.6 -12.0 57.6 803 354 B P - 0 0 41 0, 0.0 2,-0.5 0, 0.0 -76,-0.2 -0.133 17.6-135.2 -56.8 151.3 51.5 -10.5 61.0 804 355 B L E -N 726 0N 13 -78,-1.8 -78,-2.7 -292,-0.1 2,-0.5 -0.961 25.6-139.9-109.1 122.7 48.9 -7.8 61.1 805 356 B Y E -N 725 0N 87 -2,-0.5 -80,-0.3 -80,-0.2 3,-0.2 -0.776 27.7-177.5 -97.7 121.1 50.1 -5.0 63.6 806 357 B W E S- 0 0 8 -82,-2.1 2,-0.3 -2,-0.5 -81,-0.2 0.868 88.0 -1.3 -71.2 -38.9 47.9 -3.2 66.0 807 358 B X E -N 724 0N 2 -83,-1.7 -83,-1.8 4,-0.0 -1,-0.3 -0.887 66.4-152.4-158.6 125.2 51.0 -1.1 67.0 808 359 B K > - 0 0 21 -2,-0.3 4,-0.8 -3,-0.2 3,-0.4 -0.564 27.7-120.4 -91.1 156.8 54.6 -1.1 65.9 809 360 B A H >> S+ 0 0 0 1,-0.2 4,-1.1 -2,-0.2 3,-0.6 0.858 109.9 62.2 -62.8 -38.8 57.5 0.0 68.1 810 361 B S H 3> S+ 0 0 0 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.814 94.6 61.8 -61.4 -30.7 58.5 2.8 65.7 811 362 B E H 3> S+ 0 0 2 -3,-0.4 4,-2.1 1,-0.2 -1,-0.2 0.876 96.5 59.1 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167.6 64.1 13.8 74.8 829 380 B S > - 0 0 54 -2,-0.3 4,-1.9 1,-0.1 5,-0.2 -0.474 37.8-115.3 -85.3 159.6 64.0 16.2 71.9 830 381 B A H > S+ 0 0 13 1,-0.2 4,-2.4 2,-0.2 5,-0.1 0.899 115.3 51.7 -58.6 -43.7 61.7 16.0 68.9 831 382 B G H > S+ 0 0 4 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.857 107.6 51.3 -63.4 -39.9 64.6 15.4 66.5 832 383 B D H > S+ 0 0 109 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.928 113.9 42.8 -65.6 -46.0 66.1 12.6 68.5 833 384 B F H X S+ 0 0 26 -4,-1.9 4,-2.5 2,-0.2 -2,-0.2 0.892 111.9 56.3 -67.2 -38.2 62.9 10.6 68.7 834 385 B Y H X S+ 0 0 1 -4,-2.4 4,-1.6 -5,-0.2 -2,-0.2 0.947 111.2 42.8 -56.1 -50.9 62.2 11.4 65.0 835 386 B N H X S+ 0 0 30 -4,-2.3 4,-2.3 1,-0.2 -2,-0.2 0.908 112.2 53.0 -63.9 -43.2 65.6 9.9 64.0 836 387 B A H X S+ 0 0 26 -4,-2.4 4,-2.4 1,-0.2 -1,-0.2 0.876 106.5 54.9 -59.6 -38.1 65.1 6.9 66.4 837 388 B G H X S+ 0 0 0 -4,-2.5 4,-2.0 2,-0.2 -1,-0.2 0.881 107.6 48.6 -62.2 -40.9 61.7 6.3 64.7 838 389 B I H X S+ 0 0 0 -4,-1.6 4,-2.1 2,-0.2 -2,-0.2 0.937 113.2 46.8 -65.4 -46.0 63.3 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