==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=21-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER POLYSACCHARIDE BINDING PROTEIN 07-MAY-09 3HDX . COMPND 2 MOLECULE: SUSD SUPERFAMILY PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: BACTEROIDES THETAIOTAOMICRON VPI-5482; . AUTHOR JOINT CENTER FOR STRUCTURAL GENOMICS (JCSG) . 456 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 18465.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 320 70.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 19 4.2 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 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 . 4 0.9 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 . 23 5.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 55 12.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 186 40.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 11 2.4 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 0 3 3 3 0 1 0 0 2 0 3 1 1 0 1 0 1 0 0 0 0 0 1 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 PARALLEL BRIDGES PER LADDER . 4 2 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 ANTIPARALLEL BRIDGES PER LADDER . 3 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 39 A T 0 0 177 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 142.6 19.3 53.1 147.3 2 40 A Q - 0 0 79 2,-0.0 2,-0.2 10,-0.0 7,-0.0 -0.492 360.0-172.9 -68.3 128.6 16.8 50.4 148.3 3 41 A Q - 0 0 112 -2,-0.3 10,-0.1 3,-0.0 84,-0.0 -0.629 22.8-151.8-115.6 172.0 15.2 50.9 151.6 4 42 A W + 0 0 33 -2,-0.2 90,-0.2 1,-0.1 -2,-0.0 -0.130 61.0 110.0-137.7 34.2 12.9 48.7 153.7 5 43 A K S S+ 0 0 149 89,-0.1 2,-0.3 88,-0.1 -1,-0.1 0.797 76.7 31.6 -84.1 -35.2 10.8 51.2 155.6 6 44 A T S > S- 0 0 47 1,-0.1 4,-1.8 91,-0.0 3,-0.4 -0.825 79.0-108.9-127.8 167.4 7.4 50.6 153.9 7 45 A L H > S+ 0 0 44 -2,-0.3 4,-2.7 1,-0.2 5,-0.2 0.836 119.8 56.8 -58.7 -36.6 5.2 48.2 152.2 8 46 A E H > S+ 0 0 92 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.851 104.1 54.0 -66.3 -34.3 5.9 50.0 148.9 9 47 A D H > S+ 0 0 42 -3,-0.4 4,-2.2 2,-0.2 -2,-0.2 0.930 112.2 42.3 -63.0 -47.1 9.7 49.4 149.5 10 48 A T H X S+ 0 0 0 -4,-1.8 4,-2.7 2,-0.2 5,-0.2 0.903 113.2 53.7 -69.6 -38.9 9.2 45.6 149.9 11 49 A R H X S+ 0 0 75 -4,-2.7 4,-2.7 2,-0.2 5,-0.2 0.952 110.3 47.1 -57.6 -49.3 6.7 45.5 147.0 12 50 A S H X S+ 0 0 56 -4,-2.5 4,-1.9 1,-0.2 -2,-0.2 0.910 113.4 47.7 -60.7 -42.9 9.3 47.2 144.7 13 51 A A H X S+ 0 0 12 -4,-2.2 4,-1.7 2,-0.2 -1,-0.2 0.893 111.4 50.5 -65.4 -42.2 12.1 44.9 145.8 14 52 A L H X S+ 0 0 0 -4,-2.7 4,-1.9 2,-0.2 3,-0.5 0.956 110.9 48.2 -61.3 -49.9 10.0 41.8 145.3 15 53 A X H X S+ 0 0 51 -4,-2.7 4,-2.4 1,-0.2 -1,-0.2 0.872 108.0 58.1 -60.6 -31.6 9.0 42.9 141.8 16 54 A G H X S+ 0 0 34 -4,-1.9 4,-2.4 -5,-0.2 -1,-0.2 0.861 101.7 52.3 -64.3 -38.5 12.7 43.6 141.2 17 55 A V H X S+ 0 0 3 -4,-1.7 4,-2.1 -3,-0.5 -1,-0.2 0.927 111.0 48.5 -64.7 -42.2 13.6 39.9 142.0 18 56 A Y H X S+ 0 0 21 -4,-1.9 4,-2.4 1,-0.2 -2,-0.2 0.914 111.5 50.7 -58.1 -45.1 11.0 38.8 139.4 19 57 A G H X S+ 0 0 16 -4,-2.4 4,-2.5 1,-0.2 -2,-0.2 0.895 109.5 48.8 -61.6 -42.8 12.5 41.3 137.0 20 58 A L H X S+ 0 0 63 -4,-2.4 4,-2.0 2,-0.2 -1,-0.2 0.850 110.3 52.0 -64.1 -37.8 16.0 40.1 137.5 21 59 A T H X S+ 0 0 1 -4,-2.1 4,-1.5 2,-0.2 5,-0.2 0.939 110.5 47.8 -67.0 -42.8 14.8 36.4 137.0 22 60 A R H X S+ 0 0 77 -4,-2.4 4,-2.4 1,-0.2 3,-0.4 0.947 111.4 52.1 -59.4 -46.7 13.1 37.4 133.7 23 61 A A H X S+ 0 0 29 -4,-2.5 4,-2.7 1,-0.2 -1,-0.2 0.861 103.7 56.8 -60.6 -36.2 16.3 39.2 132.6 24 62 A A H < S+ 0 0 0 -4,-2.0 -1,-0.2 49,-0.2 -2,-0.2 0.896 116.5 35.3 -61.8 -40.8 18.5 36.1 133.4 25 63 A L H < S+ 0 0 1 -4,-1.5 6,-2.7 -3,-0.4 7,-0.2 0.775 123.3 44.0 -81.6 -31.3 16.4 34.0 131.0 26 64 A A H >< S+ 0 0 2 -4,-2.4 3,-2.5 -5,-0.2 -2,-0.2 0.783 81.1 107.9 -90.2 -28.4 15.7 36.7 128.4 27 65 A D G >< S- 0 0 74 -4,-2.7 3,-2.1 1,-0.3 4,-0.1 -0.243 102.4 -5.1 -60.2 132.0 19.1 38.4 128.0 28 66 A N G 3 S- 0 0 69 1,-0.3 -1,-0.3 2,-0.1 5,-0.1 0.726 123.0 -74.7 52.8 27.9 20.6 37.6 124.6 29 67 A N G X> S+ 0 0 18 -3,-2.5 4,-2.9 3,-0.1 3,-0.8 0.769 80.1 165.4 56.4 32.6 17.6 35.2 124.1 30 68 A T H <> + 0 0 0 -3,-2.1 4,-3.0 1,-0.2 5,-0.4 0.827 64.6 58.6 -43.0 -49.3 19.2 32.8 126.6 31 69 A H H 3> S+ 0 0 1 -6,-2.7 4,-1.4 1,-0.2 -1,-0.2 0.912 117.6 30.7 -55.8 -43.5 16.1 30.7 127.1 32 70 A W H <>>S+ 0 0 11 -3,-0.8 5,-2.6 -7,-0.2 4,-2.2 0.823 118.4 54.5 -84.4 -37.9 15.8 29.8 123.5 33 71 A I H <>S+ 0 0 1 -4,-2.9 5,-1.1 3,-0.2 -2,-0.2 0.947 120.5 32.6 -61.4 -47.2 19.5 29.8 122.6 34 72 A C H <5S+ 0 0 0 -4,-3.0 -2,-0.2 -5,-0.3 -1,-0.2 0.771 131.2 33.1 -79.9 -30.0 20.2 27.4 125.4 35 73 A G H <5S+ 0 0 0 -4,-1.4 376,-2.9 -5,-0.4 377,-0.3 0.731 130.6 18.2-101.0 -33.5 17.0 25.4 125.3 36 74 A D T <5S+ 0 0 4 -4,-2.2 6,-0.4 374,-0.2 5,-0.4 0.741 121.3 48.1-107.9 -40.8 15.8 25.3 121.7 37 75 A L T > - 0 0 87 233,-0.3 4,-2.1 1,-0.2 5,-0.1 -0.485 41.3-163.1 -74.1 122.8 24.2 33.8 111.3 48 86 A S H > S+ 0 0 74 -2,-0.4 4,-1.9 2,-0.2 -1,-0.2 0.823 91.4 57.4 -69.5 -30.0 27.4 31.9 112.0 49 87 A D H > S+ 0 0 31 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.961 110.0 42.7 -66.1 -47.2 27.0 32.7 115.8 50 88 A L H > S+ 0 0 0 1,-0.2 4,-2.4 2,-0.2 -2,-0.2 0.906 112.1 55.5 -63.6 -37.8 23.6 31.0 116.0 51 89 A Q H X S+ 0 0 65 -4,-2.1 4,-2.5 1,-0.2 -1,-0.2 0.872 103.4 55.1 -63.9 -37.2 24.9 28.2 113.8 52 90 A A H <>S+ 0 0 2 -4,-1.9 5,-2.7 2,-0.2 4,-0.5 0.917 108.6 48.0 -62.1 -41.1 27.7 27.6 116.4 53 91 A V H ><5S+ 0 0 0 -4,-1.7 3,-1.7 3,-0.2 -14,-0.4 0.959 111.0 50.8 -60.2 -51.1 25.1 27.3 119.2 54 92 A S H 3<5S+ 0 0 13 -4,-2.4 -15,-1.7 1,-0.3 -2,-0.2 0.888 113.2 45.7 -55.2 -39.9 23.1 24.8 117.0 55 93 A D T 3<5S- 0 0 73 -4,-2.5 -1,-0.3 -5,-0.2 -2,-0.2 0.460 111.5-118.5 -81.9 -0.2 26.3 22.8 116.4 56 94 A N T < 5 + 0 0 17 -3,-1.7 2,-1.0 -4,-0.5 -3,-0.2 0.798 68.7 141.2 61.8 31.1 27.4 22.8 120.1 57 95 A E > < + 0 0 91 -5,-2.7 3,-1.5 -6,-0.2 -1,-0.2 -0.586 15.7 158.4 -99.4 66.5 30.6 24.6 119.0 58 96 A L T 3 + 0 0 4 -2,-1.0 -1,-0.2 1,-0.3 4,-0.1 0.518 61.0 62.3 -77.9 -6.7 30.5 26.8 122.1 59 97 A N T 3 S+ 0 0 91 -3,-0.1 -1,-0.3 -7,-0.1 -2,-0.1 0.342 74.1 121.3 -94.5 2.3 34.2 27.7 122.1 60 98 A K S < S- 0 0 86 -3,-1.5 2,-2.3 1,-0.1 5,-0.1 -0.351 79.7-103.4 -67.1 148.5 34.0 29.5 118.7 61 99 A P S S+ 0 0 111 0, 0.0 2,-0.4 0, 0.0 -1,-0.1 -0.363 72.6 132.6 -78.4 64.3 35.0 33.2 118.9 62 100 A Y > - 0 0 75 -2,-2.3 4,-1.7 -4,-0.1 3,-0.5 -0.960 56.9-139.3-116.8 133.0 31.5 34.8 118.8 63 101 A D H > S+ 0 0 100 -2,-0.4 4,-2.7 1,-0.2 5,-0.2 0.849 102.4 60.7 -56.9 -38.2 30.5 37.6 121.1 64 102 A L H > S+ 0 0 16 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.908 105.5 47.9 -54.9 -47.5 27.0 36.0 121.6 65 103 A L H > S+ 0 0 4 -3,-0.5 4,-2.2 2,-0.2 -1,-0.2 0.904 111.0 50.0 -62.7 -43.1 28.6 32.9 123.0 66 104 A K H X S+ 0 0 101 -4,-1.7 4,-0.6 1,-0.2 -2,-0.2 0.921 112.9 47.2 -62.0 -44.8 30.8 34.8 125.4 67 105 A K H >< S+ 0 0 101 -4,-2.7 3,-0.9 1,-0.2 -2,-0.2 0.917 112.8 46.9 -63.8 -46.6 27.8 36.8 126.7 68 106 A V H 3< S+ 0 0 0 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.916 108.5 58.3 -62.7 -36.4 25.5 33.9 127.1 69 107 A S H 3< S+ 0 0 6 -4,-2.2 372,-1.0 -5,-0.2 2,-0.6 0.572 83.4 92.6 -72.3 -14.1 28.3 32.0 128.9 70 108 A N << - 0 0 37 -3,-0.9 3,-0.5 -4,-0.6 370,-0.1 -0.770 61.5-161.6 -84.9 118.6 28.7 34.7 131.6 71 109 A W >> + 0 0 4 -2,-0.6 4,-1.4 1,-0.2 3,-1.4 0.314 57.3 111.0 -83.3 6.9 26.5 33.7 134.6 72 110 A R H 3> S+ 0 0 150 1,-0.3 4,-2.1 2,-0.2 -1,-0.2 0.855 71.3 60.0 -51.0 -45.0 26.4 37.1 136.3 73 111 A R H 3> S+ 0 0 34 -3,-0.5 4,-1.0 1,-0.2 -1,-0.3 0.797 104.1 51.0 -57.5 -29.8 22.7 37.6 135.5 74 112 A F H <> S+ 0 0 1 -3,-1.4 4,-2.0 2,-0.2 3,-0.5 0.921 108.5 49.8 -72.0 -45.6 21.9 34.5 137.5 75 113 A Y H X S+ 0 0 5 -4,-1.4 4,-3.0 1,-0.2 5,-0.3 0.818 102.5 63.9 -63.3 -26.5 23.9 35.7 140.6 76 114 A A H X S+ 0 0 37 -4,-2.1 4,-1.9 1,-0.2 -1,-0.2 0.906 106.4 43.5 -61.5 -39.8 22.0 39.0 140.3 77 115 A V H X S+ 0 0 0 -4,-1.0 4,-2.6 -3,-0.5 -2,-0.2 0.946 114.6 48.9 -64.6 -52.4 18.8 37.1 141.0 78 116 A I H X S+ 0 0 0 -4,-2.0 4,-2.5 1,-0.2 -2,-0.2 0.920 114.2 45.4 -56.7 -46.3 20.4 35.0 143.8 79 117 A N H X S+ 0 0 10 -4,-3.0 4,-2.7 2,-0.2 5,-0.2 0.916 111.9 50.4 -68.4 -43.5 21.9 38.1 145.5 80 118 A A H X S+ 0 0 28 -4,-1.9 4,-2.4 -5,-0.3 -1,-0.2 0.912 112.8 48.1 -61.3 -41.0 18.7 40.3 145.3 81 119 A A H X S+ 0 0 0 -4,-2.6 4,-2.5 2,-0.2 -2,-0.2 0.939 110.8 50.5 -63.1 -45.1 16.8 37.4 146.8 82 120 A S H X S+ 0 0 1 -4,-2.5 4,-1.6 1,-0.2 52,-0.2 0.908 111.5 47.8 -60.8 -43.3 19.3 36.9 149.6 83 121 A V H X S+ 0 0 47 -4,-2.7 4,-2.6 2,-0.2 5,-0.3 0.925 110.2 52.9 -62.3 -44.8 19.2 40.7 150.4 84 122 A F H X S+ 0 0 1 -4,-2.4 4,-2.7 1,-0.2 -2,-0.2 0.938 109.4 48.4 -57.7 -46.0 15.4 40.6 150.4 85 123 A X H < S+ 0 0 34 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.822 115.0 46.0 -65.8 -30.6 15.3 37.7 152.9 86 124 A E H < S+ 0 0 90 -4,-1.6 -1,-0.2 -5,-0.2 -2,-0.2 0.849 125.3 27.7 -75.5 -37.7 17.8 39.5 155.1 87 125 A K H >< S+ 0 0 112 -4,-2.6 3,-0.9 -5,-0.1 4,-0.5 0.772 102.6 71.3-102.8 -32.3 16.1 42.9 155.1 88 126 A A T >X S+ 0 0 0 -4,-2.7 3,-1.4 -5,-0.3 4,-0.6 0.797 84.8 69.6 -59.4 -33.4 12.4 42.5 154.5 89 127 A P H >> S+ 0 0 51 0, 0.0 3,-1.1 0, 0.0 4,-0.6 0.870 92.7 61.1 -56.4 -32.9 11.6 41.1 158.0 90 128 A R H X> S+ 0 0 135 -3,-0.9 4,-1.6 1,-0.2 3,-0.8 0.800 89.9 69.7 -58.2 -33.8 12.3 44.5 159.5 91 129 A T H <> S+ 0 0 0 -3,-1.4 4,-2.5 -4,-0.5 7,-0.3 0.827 89.5 61.4 -58.5 -32.9 9.5 46.0 157.4 92 130 A V H << S+ 0 0 46 -3,-1.1 -1,-0.2 -4,-0.6 -2,-0.2 0.890 108.2 44.1 -60.4 -39.5 6.9 44.2 159.5 93 131 A E H << S+ 0 0 140 -3,-0.8 -1,-0.2 -4,-0.6 -2,-0.2 0.805 118.9 43.8 -73.5 -31.3 8.2 46.1 162.6 94 132 A L H < S+ 0 0 80 -4,-1.6 2,-0.4 1,-0.2 -2,-0.2 0.720 115.9 40.2 -88.0 -26.3 8.3 49.4 160.7 95 133 A D >< - 0 0 33 -4,-2.5 3,-2.3 3,-0.2 -1,-0.2 -0.937 58.5-160.1-134.5 109.6 5.0 49.5 158.8 96 134 A R T 3 S+ 0 0 159 -2,-0.4 -1,-0.1 1,-0.3 -4,-0.1 0.637 93.5 65.6 -59.4 -19.6 1.8 48.2 160.4 97 135 A S T 3 S+ 0 0 75 1,-0.1 2,-0.7 2,-0.1 -1,-0.3 0.511 87.0 77.9 -79.8 -8.4 0.3 47.8 156.8 98 136 A Y S < S- 0 0 2 -3,-2.3 -3,-0.2 -7,-0.3 -1,-0.1 -0.894 77.1-157.3-105.4 102.8 2.9 45.0 156.1 99 137 A S > - 0 0 59 -2,-0.7 4,-2.3 1,-0.1 5,-0.1 -0.303 29.3-113.7 -83.4 163.6 1.7 41.9 157.8 100 138 A E H > S+ 0 0 130 1,-0.2 4,-2.4 2,-0.2 5,-0.1 0.876 121.4 52.5 -57.7 -40.0 3.5 38.8 159.0 101 139 A Q H > S+ 0 0 88 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.906 106.5 51.9 -65.0 -39.6 1.6 36.9 156.3 102 140 A N H > S+ 0 0 17 1,-0.2 4,-2.3 2,-0.2 -2,-0.2 0.911 110.9 49.1 -62.6 -41.9 2.6 39.4 153.6 103 141 A L H X S+ 0 0 26 -4,-2.3 4,-3.1 2,-0.2 5,-0.3 0.931 109.7 50.9 -60.3 -47.6 6.3 38.8 154.7 104 142 A K H X S+ 0 0 57 -4,-2.4 4,-2.2 1,-0.2 -2,-0.2 0.914 112.2 47.6 -59.4 -42.6 5.9 35.0 154.6 105 143 A Y H X S+ 0 0 52 -4,-2.6 4,-1.9 2,-0.2 -1,-0.2 0.922 114.3 45.6 -61.8 -46.7 4.4 35.2 151.1 106 144 A D H X S+ 0 0 0 -4,-2.3 4,-2.4 1,-0.2 5,-0.2 0.919 113.2 49.1 -66.7 -44.6 7.2 37.5 149.8 107 145 A I H X S+ 0 0 24 -4,-3.1 4,-2.7 1,-0.2 5,-0.2 0.904 109.5 52.8 -59.4 -45.6 10.0 35.5 151.4 108 146 A A H X S+ 0 0 1 -4,-2.2 4,-2.2 -5,-0.3 -1,-0.2 0.900 109.8 49.2 -61.2 -40.0 8.6 32.3 149.9 109 147 A Q H X S+ 0 0 0 -4,-1.9 4,-2.5 2,-0.2 -2,-0.2 0.938 113.8 43.4 -63.2 -51.3 8.6 33.8 146.4 110 148 A V H X S+ 0 0 0 -4,-2.4 4,-2.5 1,-0.2 -2,-0.2 0.886 113.4 52.8 -66.2 -36.6 12.1 35.2 146.6 111 149 A R H X S+ 0 0 53 -4,-2.7 4,-2.1 -5,-0.2 -1,-0.2 0.916 112.2 45.6 -60.4 -45.9 13.3 31.9 148.1 112 150 A A H X S+ 0 0 0 -4,-2.2 4,-2.7 -5,-0.2 -2,-0.2 0.872 111.2 52.2 -66.0 -39.7 11.7 30.0 145.2 113 151 A L H X S+ 0 0 0 -4,-2.5 4,-2.5 2,-0.2 -2,-0.2 0.892 109.8 49.0 -63.7 -41.9 13.1 32.4 142.6 114 152 A R H X S+ 0 0 11 -4,-2.5 4,-2.2 2,-0.2 -2,-0.2 0.920 112.2 48.4 -60.2 -46.1 16.6 31.9 144.0 115 153 A A H X S+ 0 0 0 -4,-2.1 4,-2.4 2,-0.2 -2,-0.2 0.890 111.3 50.6 -62.5 -41.2 16.1 28.1 144.0 116 154 A F H X S+ 0 0 0 -4,-2.7 4,-3.1 2,-0.2 5,-0.2 0.917 107.9 52.8 -60.1 -46.4 14.8 28.3 140.3 117 155 A A H X S+ 0 0 1 -4,-2.5 4,-2.6 1,-0.2 5,-0.2 0.922 109.4 50.0 -57.4 -42.4 17.9 30.4 139.3 118 156 A Y H X S+ 0 0 0 -4,-2.2 4,-2.2 2,-0.2 -1,-0.2 0.925 112.9 45.0 -61.6 -49.2 20.1 27.7 140.8 119 157 A F H X S+ 0 0 2 -4,-2.4 4,-2.0 2,-0.2 -2,-0.2 0.945 114.1 49.8 -56.6 -49.1 18.4 24.9 139.0 120 158 A Y H X S+ 0 0 0 -4,-3.1 4,-0.9 1,-0.2 -2,-0.2 0.907 113.4 44.5 -59.9 -43.0 18.3 26.8 135.7 121 159 A X H X>S+ 0 0 0 -4,-2.6 4,-2.9 -5,-0.2 5,-0.6 0.845 108.1 58.5 -74.9 -33.1 22.0 27.7 135.9 122 160 A V H X5S+ 0 0 1 -4,-2.2 4,-1.7 1,-0.2 -2,-0.2 0.901 103.5 53.0 -62.5 -36.2 23.0 24.1 136.9 123 161 A R H <5S+ 0 0 3 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.842 116.2 40.7 -65.9 -31.3 21.4 22.8 133.7 124 162 A I H <5S+ 0 0 1 -4,-0.9 314,-2.7 -3,-0.2 -2,-0.2 0.921 134.7 12.3 -80.8 -51.1 23.5 25.3 131.7 125 163 A W H <5S- 0 0 0 -4,-2.9 2,-0.6 1,-0.3 -3,-0.2 0.582 84.3-146.1-107.4 -16.0 26.9 25.2 133.4 126 164 A G S < - 0 0 126 -2,-0.3 3,-1.8 1,-0.1 -57,-0.0 -0.523 45.3-107.8 -74.8 139.2 28.4 43.5 147.7 137 175 A N T 3 S+ 0 0 141 1,-0.3 3,-0.1 -2,-0.2 -1,-0.1 -0.335 108.9 35.7 -57.6 140.5 27.9 44.4 144.1 138 176 A G T 3 S+ 0 0 68 1,-0.4 2,-0.3 -3,-0.1 -1,-0.3 0.313 111.4 76.2 90.4 -8.4 31.3 44.5 142.3 139 177 A T < - 0 0 77 -3,-1.8 -1,-0.4 -4,-0.0 -4,-0.1 -0.841 59.1-165.2-124.5 163.4 32.5 41.7 144.5 140 178 A F - 0 0 41 -2,-0.3 -3,-0.0 307,-0.1 3,-0.0 -0.968 37.2 -93.5-145.5 139.2 31.9 37.9 144.4 141 179 A P - 0 0 15 0, 0.0 2,-1.1 0, 0.0 -6,-0.0 -0.250 37.3-118.9 -54.7 139.7 32.7 35.4 147.1 142 180 A S + 0 0 96 307,-0.0 306,-0.0 308,-0.0 307,-0.0 -0.692 69.4 113.7 -83.2 98.3 36.1 33.7 146.8 143 181 A X - 0 0 39 -2,-1.1 307,-0.1 3,-0.0 3,-0.1 -0.976 62.4-104.1-160.0 157.8 35.1 30.1 146.4 144 182 A P - 0 0 62 0, 0.0 -14,-0.4 0, 0.0 307,-0.2 -0.207 51.4 -76.6 -79.0 174.5 35.2 27.3 143.8 145 183 A R - 0 0 40 305,-0.5 2,-0.4 -16,-0.2 -18,-0.1 -0.504 53.2-129.3 -63.3 138.9 32.4 26.0 141.7 146 184 A T B -B 128 0B 24 -18,-1.4 -18,-1.3 -2,-0.2 5,-0.1 -0.785 31.0 -89.0 -96.7 142.6 30.2 23.7 143.9 147 185 A D > - 0 0 80 -2,-0.4 4,-2.0 -20,-0.2 3,-0.5 -0.197 34.6-128.0 -49.0 131.3 29.3 20.2 142.8 148 186 A A H > S+ 0 0 16 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.853 108.8 56.6 -53.0 -41.4 26.0 20.4 140.8 149 187 A Q H > S+ 0 0 131 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.901 107.2 48.9 -59.0 -41.6 24.4 17.6 143.1 150 188 A T H > S+ 0 0 71 -3,-0.5 4,-1.9 2,-0.2 -2,-0.2 0.901 111.3 49.6 -64.1 -41.1 25.1 19.8 146.1 151 189 A V H X S+ 0 0 0 -4,-2.0 4,-2.7 1,-0.2 -2,-0.2 0.925 111.6 48.3 -65.0 -43.9 23.6 22.8 144.5 152 190 A L H X S+ 0 0 5 -4,-2.6 4,-2.9 2,-0.2 -2,-0.2 0.884 108.1 54.5 -66.9 -36.0 20.5 20.9 143.5 153 191 A S H X S+ 0 0 59 -4,-2.3 4,-2.1 2,-0.2 -1,-0.2 0.913 110.2 47.5 -63.2 -37.4 20.1 19.5 147.0 154 192 A Y H X S+ 0 0 37 -4,-1.9 4,-2.7 2,-0.2 -2,-0.2 0.957 112.3 49.6 -63.4 -48.4 20.1 23.1 148.3 155 193 A A H X S+ 0 0 0 -4,-2.7 4,-2.3 1,-0.2 -2,-0.2 0.905 110.8 49.8 -59.1 -42.3 17.6 24.1 145.6 156 194 A K H X S+ 0 0 40 -4,-2.9 4,-2.5 2,-0.2 -1,-0.2 0.929 112.2 46.6 -63.3 -45.8 15.3 21.2 146.5 157 195 A A H X S+ 0 0 55 -4,-2.1 4,-2.2 1,-0.2 -1,-0.2 0.907 112.5 50.7 -66.0 -39.1 15.3 22.0 150.3 158 196 A E H X S+ 0 0 26 -4,-2.7 4,-2.7 1,-0.2 -1,-0.2 0.898 110.7 48.6 -63.9 -41.3 14.7 25.6 149.6 159 197 A L H X S+ 0 0 0 -4,-2.3 4,-2.6 2,-0.2 -2,-0.2 0.907 110.0 50.9 -66.7 -43.5 11.7 24.9 147.4 160 198 A L H X S+ 0 0 71 -4,-2.5 4,-0.8 2,-0.2 -2,-0.2 0.911 112.7 47.4 -61.2 -39.0 10.2 22.5 149.9 161 199 A T H >X S+ 0 0 72 -4,-2.2 3,-1.0 -5,-0.2 4,-0.5 0.956 111.7 50.0 -64.8 -45.3 10.6 25.2 152.6 162 200 A A H >X S+ 0 0 1 -4,-2.7 3,-1.6 1,-0.2 4,-1.6 0.884 101.7 63.5 -60.1 -39.4 9.1 27.9 150.2 163 201 A I H 3< S+ 0 0 3 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.787 90.2 66.7 -57.4 -32.6 6.1 25.5 149.5 164 202 A E H << S+ 0 0 148 -3,-1.0 -1,-0.3 -4,-0.8 -2,-0.2 0.836 116.5 26.1 -59.6 -30.1 5.0 25.7 153.2 165 203 A D H << S+ 0 0 61 -3,-1.6 -2,-0.2 -4,-0.5 -1,-0.2 0.562 95.9 101.1-111.2 -11.3 4.2 29.5 152.7 166 204 A L < - 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