==== 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 15-JAN-10 3LEW . COMPND 2 MOLECULE: SUSD-LIKE CARBOHYDRATE BINDING PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: BACTEROIDES VULGATUS; . AUTHOR JOINT CENTER FOR STRUCTURAL GENOMICS (JCSG) . 476 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 18657.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 312 65.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 6 1.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 35 7.4 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 . 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 . 1 0.2 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 . 24 5.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 56 11.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 165 34.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 1.5 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 1 1 0 1 0 0 1 0 3 1 0 1 1 0 0 0 0 1 0 1 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 0 PARALLEL BRIDGES PER LADDER . 4 1 1 2 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 . 3 0 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 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 37 A F 0 0 132 0, 0.0 3,-0.1 0, 0.0 88,-0.0 0.000 360.0 360.0 360.0 146.8 54.8 17.6 -6.4 2 38 A G + 0 0 41 1,-0.5 91,-2.5 91,-0.1 2,-0.3 0.062 360.0 47.1 164.8 -42.0 57.2 20.2 -7.8 3 39 A K B >> S-a 93 0A 112 89,-0.3 4,-1.5 1,-0.1 3,-0.8 -0.828 83.1-106.6-123.4 160.2 59.1 22.3 -5.2 4 40 A T H 3> S+ 0 0 19 89,-2.6 4,-2.4 -2,-0.3 3,-0.3 0.904 120.9 57.5 -50.4 -44.1 61.0 21.3 -2.0 5 41 A G H 3> S+ 0 0 45 88,-0.3 4,-1.9 1,-0.2 -1,-0.2 0.834 103.1 54.6 -55.2 -34.9 58.1 22.7 0.1 6 42 A D H <> S+ 0 0 68 -3,-0.8 4,-1.5 2,-0.2 -1,-0.2 0.883 108.2 47.9 -69.7 -39.4 55.7 20.3 -1.7 7 43 A A H X S+ 0 0 1 -4,-1.5 4,-2.1 -3,-0.3 -2,-0.2 0.921 110.2 52.2 -66.4 -44.5 57.9 17.3 -0.8 8 44 A E H X S+ 0 0 44 -4,-2.4 4,-2.9 1,-0.2 -2,-0.2 0.886 104.4 57.4 -60.7 -35.4 58.1 18.5 2.8 9 45 A K H X S+ 0 0 78 -4,-1.9 4,-2.3 1,-0.2 -1,-0.2 0.914 106.2 48.8 -63.0 -43.1 54.3 18.7 2.9 10 46 A V H X S+ 0 0 47 -4,-1.5 4,-2.5 2,-0.2 -1,-0.2 0.910 112.6 48.2 -60.7 -43.9 54.0 15.0 2.0 11 47 A L H X S+ 0 0 12 -4,-2.1 4,-2.3 2,-0.2 -2,-0.2 0.913 110.5 50.9 -61.7 -41.9 56.5 14.1 4.7 12 48 A N H X S+ 0 0 66 -4,-2.9 4,-2.4 2,-0.2 -2,-0.2 0.887 110.2 50.5 -62.7 -39.7 54.7 16.2 7.3 13 49 A G H X S+ 0 0 39 -4,-2.3 4,-2.8 2,-0.2 -2,-0.2 0.905 108.8 51.4 -64.9 -42.9 51.4 14.5 6.3 14 50 A G H X S+ 0 0 0 -4,-2.5 4,-2.4 2,-0.2 -2,-0.2 0.894 110.1 49.5 -55.0 -46.5 53.1 11.1 6.7 15 51 A W H X S+ 0 0 18 -4,-2.3 4,-2.3 2,-0.2 5,-0.2 0.951 111.6 48.6 -60.6 -50.7 54.3 12.1 10.2 16 52 A N H X S+ 0 0 66 -4,-2.4 4,-2.9 1,-0.2 5,-0.3 0.919 111.3 50.5 -53.8 -47.9 50.8 13.3 11.2 17 53 A Y H X S+ 0 0 72 -4,-2.8 4,-1.4 1,-0.2 -1,-0.2 0.917 109.6 50.7 -60.0 -42.4 49.3 10.0 9.9 18 54 A L H < S+ 0 0 0 -4,-2.4 12,-2.1 1,-0.2 -1,-0.2 0.889 121.3 32.9 -59.3 -43.8 51.8 8.0 11.9 19 55 A X H < S+ 0 0 1 -4,-2.3 12,-0.3 10,-0.2 -2,-0.2 0.778 124.8 36.6 -86.5 -29.8 51.1 9.8 15.1 20 56 A E H < S+ 0 0 11 -4,-2.9 2,-0.5 -5,-0.2 -3,-0.2 0.525 79.3 112.9-107.1 -11.9 47.4 10.8 14.9 21 57 A T < - 0 0 31 -4,-1.4 8,-1.9 -5,-0.3 2,-0.2 -0.557 50.4-150.6 -81.2 122.2 45.5 7.9 13.2 22 58 A F B -B 28 0B 62 -2,-0.5 2,-0.3 6,-0.2 3,-0.2 -0.572 19.0-167.9 -77.2 145.4 43.0 6.0 15.3 23 59 A N S S- 0 0 61 4,-1.7 3,-0.2 1,-0.9 4,-0.1 -0.743 84.9 -42.4-118.7 82.2 42.0 2.4 14.8 24 60 A S S > S- 0 0 65 -2,-0.3 3,-1.9 1,-0.2 -1,-0.9 0.114 86.2 -73.6 69.5 163.3 39.1 2.8 17.3 25 61 A Y T 3 S+ 0 0 132 1,-0.3 -1,-0.2 -3,-0.2 0, 0.0 0.707 130.0 72.3 -58.9 -19.8 39.7 4.8 20.4 26 62 A A T 3 S+ 0 0 14 1,-0.2 -1,-0.3 -3,-0.2 -2,-0.1 0.666 101.0 45.4 -67.0 -20.6 41.7 1.8 21.7 27 63 A N < - 0 0 5 -3,-1.9 -4,-1.7 -4,-0.1 2,-1.6 -0.713 66.0-177.5-130.5 85.4 44.6 2.6 19.3 28 64 A P B > -B 22 0B 0 0, 0.0 3,-0.5 0, 0.0 4,-0.3 -0.572 56.6 -73.1 -87.5 82.9 45.6 6.3 19.1 29 65 A G T > S- 0 0 0 -8,-1.9 3,-2.0 -2,-1.6 4,-0.4 -0.114 94.2 -23.6 66.4-163.1 48.3 6.2 16.4 30 66 A Y T >> S+ 0 0 14 -12,-2.1 3,-1.3 1,-0.3 4,-1.2 0.784 127.8 70.2 -55.5 -34.0 51.8 4.9 16.7 31 67 A G H <> S+ 0 0 0 -3,-0.5 4,-2.6 -12,-0.3 -1,-0.3 0.761 83.7 71.7 -55.2 -28.3 51.7 5.4 20.5 32 68 A A H <> S+ 0 0 0 -3,-2.0 4,-2.5 -4,-0.3 -1,-0.3 0.867 97.4 49.2 -52.2 -41.1 49.3 2.5 20.6 33 69 A X H <> S+ 0 0 2 -3,-1.3 4,-2.7 -4,-0.4 -2,-0.2 0.916 108.6 52.7 -67.4 -37.1 52.1 0.1 19.8 34 70 A L H X S+ 0 0 15 -4,-1.2 4,-1.4 2,-0.2 357,-0.2 0.920 111.5 47.4 -61.8 -40.3 54.3 1.8 22.5 35 71 A R H X S+ 0 0 4 -4,-2.6 4,-2.4 1,-0.2 3,-0.4 0.942 110.5 50.5 -67.8 -44.9 51.5 1.1 25.0 36 72 A A H X S+ 0 0 0 -4,-2.5 4,-1.9 1,-0.2 -2,-0.2 0.915 106.0 58.8 -52.8 -44.8 51.0 -2.5 23.8 37 73 A N H < S+ 0 0 4 -4,-2.7 357,-1.3 1,-0.2 -1,-0.2 0.821 110.0 40.8 -57.8 -39.1 54.8 -2.9 24.3 38 74 A D H >< S+ 0 0 0 -4,-1.4 3,-1.5 -3,-0.4 6,-0.4 0.837 109.5 57.5 -79.6 -35.9 54.6 -2.0 27.9 39 75 A A H 3< S+ 0 0 0 -4,-2.4 -2,-0.2 1,-0.3 -1,-0.2 0.832 104.1 56.7 -60.3 -28.5 51.4 -4.0 28.6 40 76 A X T 3< S+ 0 0 2 -4,-1.9 -1,-0.3 -5,-0.2 -2,-0.1 0.094 100.3 80.9 -92.4 28.6 53.3 -7.0 27.3 41 77 A G S < S- 0 0 0 -3,-1.5 3,-0.1 3,-0.1 -3,-0.1 -0.351 89.8 -99.0-120.6-165.9 56.1 -6.6 29.9 42 78 A S S S+ 0 0 8 1,-0.1 235,-0.1 -2,-0.1 -3,-0.1 0.518 107.6 54.6 -93.0 -12.9 56.9 -7.4 33.5 43 79 A D S S+ 0 0 3 -5,-0.3 231,-2.1 363,-0.1 2,-0.4 0.412 89.1 75.1-112.2 0.9 56.2 -4.0 35.1 44 80 A V E -C 273 0C 0 -6,-0.4 2,-0.5 229,-0.2 229,-0.2 -0.957 51.3-164.4-124.8 132.0 52.7 -3.0 34.1 45 81 A V E -C 272 0C 1 227,-2.2 227,-2.2 -2,-0.4 2,-0.4 -0.988 16.2-147.0-110.5 124.0 49.3 -4.3 35.4 46 82 A L E -C 271 0C 1 -2,-0.5 225,-0.2 225,-0.2 224,-0.1 -0.691 7.3-142.5 -89.5 137.6 46.2 -3.4 33.4 47 83 A N - 0 0 3 223,-1.1 -1,-0.1 -2,-0.4 223,-0.1 -0.115 35.5 -92.4 -77.3-169.3 42.8 -2.8 35.0 48 84 A S S S+ 0 0 88 4,-0.1 3,-0.1 220,-0.0 -1,-0.0 0.269 85.0 114.3 -89.8 -0.1 39.5 -4.0 33.5 49 85 A K S > S- 0 0 81 219,-0.3 4,-0.5 1,-0.2 3,-0.1 -0.205 78.0 -69.4 -75.1 169.1 38.8 -0.8 31.5 50 86 A Y T 4 S+ 0 0 102 1,-0.1 2,-0.5 2,-0.1 -1,-0.2 -0.211 100.7 33.3 -49.2 142.7 38.6 -0.3 27.8 51 87 A G T 4 S+ 0 0 18 -3,-0.1 3,-0.2 1,-0.1 -1,-0.1 -0.812 110.5 18.0 122.6 -96.9 41.8 -0.5 25.9 52 88 A F T >> S+ 0 0 1 -2,-0.5 4,-1.9 1,-0.2 3,-0.5 0.222 76.9 109.1-113.7 17.0 44.8 -2.7 26.7 53 89 A R H 3X S+ 0 0 89 -4,-0.5 4,-1.3 1,-0.2 -1,-0.2 0.906 83.9 51.4 -60.1 -43.4 43.6 -5.5 29.0 54 90 A T H 34>S+ 0 0 47 1,-0.2 5,-2.2 -3,-0.2 6,-1.1 0.784 106.9 55.2 -66.9 -27.4 44.0 -8.2 26.3 55 91 A H H X45S+ 0 0 8 -3,-0.5 3,-1.3 4,-0.2 -1,-0.2 0.904 104.4 52.7 -67.2 -43.5 47.5 -7.0 25.6 56 92 A N H 3<5S+ 0 0 0 -4,-1.9 -2,-0.2 1,-0.3 -1,-0.2 0.825 110.6 49.2 -60.3 -31.5 48.4 -7.5 29.3 57 93 A E T 3<5S- 0 0 43 -4,-1.3 -1,-0.3 -5,-0.2 -2,-0.2 0.498 113.1-122.0 -80.0 -12.3 47.0 -11.0 28.9 58 94 A F T < 5S+ 0 0 2 -3,-1.3 4,-0.3 -4,-0.3 -3,-0.2 0.595 87.0 104.7 73.4 15.3 49.2 -11.6 25.7 59 95 A S >< + 0 0 41 -5,-2.2 4,-1.3 3,-0.1 -4,-0.2 0.755 61.8 68.8 -92.6 -22.4 46.1 -12.3 23.6 60 96 A A T 4>S+ 0 0 10 -6,-1.1 5,-2.3 2,-0.2 8,-0.2 0.917 105.5 31.8 -66.3 -51.8 45.8 -9.0 21.6 61 97 A I T >45S+ 0 0 1 2,-0.2 3,-2.2 3,-0.2 393,-0.2 0.956 122.1 46.8 -78.5 -49.1 48.8 -9.0 19.3 62 98 A Y T 345S+ 0 0 46 -4,-0.3 -1,-0.2 388,-0.3 -2,-0.2 0.856 110.6 58.6 -56.0 -36.9 49.1 -12.8 18.7 63 99 A G T 3<5S- 0 0 49 -4,-1.3 -1,-0.3 387,-0.1 -2,-0.2 0.395 111.8-123.9 -72.4 1.4 45.3 -12.6 18.2 64 100 A K T < 5 + 0 0 36 -3,-2.2 -3,-0.2 1,-0.1 -2,-0.1 0.884 52.9 163.8 52.9 43.1 45.8 -10.1 15.3 65 101 A G >< - 0 0 31 -5,-2.3 4,-2.2 -6,-0.1 5,-0.2 0.047 56.2 -70.8 -74.0-166.4 43.5 -7.5 16.9 66 102 A G H > S+ 0 0 30 1,-0.2 4,-2.6 2,-0.2 5,-0.1 0.771 129.8 55.4 -64.9 -31.7 43.3 -3.8 16.0 67 103 A T H > S+ 0 0 4 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.943 109.8 47.7 -65.6 -45.7 46.7 -2.8 17.4 68 104 A N H > S+ 0 0 0 -8,-0.2 4,-1.5 1,-0.2 -2,-0.2 0.903 113.3 48.4 -61.1 -44.8 48.4 -5.4 15.2 69 105 A T H X S+ 0 0 62 -4,-2.2 4,-2.1 1,-0.2 -2,-0.2 0.935 110.3 49.9 -60.2 -48.2 46.4 -4.2 12.2 70 106 A L H X S+ 0 0 1 -4,-2.6 4,-3.0 1,-0.2 5,-0.3 0.880 105.0 59.4 -62.6 -34.6 47.2 -0.5 12.8 71 107 A S H X S+ 0 0 0 -4,-2.3 4,-2.5 1,-0.2 -1,-0.2 0.944 108.7 43.4 -56.1 -51.1 50.9 -1.4 13.1 72 108 A W H X S+ 0 0 18 -4,-1.5 4,-2.2 1,-0.2 5,-0.3 0.914 116.0 47.2 -62.1 -47.0 51.1 -2.8 9.6 73 109 A L H X S+ 0 0 52 -4,-2.1 4,-2.5 2,-0.2 5,-0.3 0.924 114.3 45.2 -64.0 -46.7 49.0 -0.1 8.0 74 110 A L H X S+ 0 0 0 -4,-3.0 4,-2.1 -5,-0.2 5,-0.3 0.939 112.9 51.1 -65.1 -46.7 50.9 2.8 9.6 75 111 A A H X S+ 0 0 2 -4,-2.5 4,-2.3 -5,-0.3 -2,-0.2 0.946 118.1 36.3 -55.9 -50.7 54.3 1.3 8.9 76 112 A Y H X S+ 0 0 32 -4,-2.2 4,-2.0 -5,-0.2 -1,-0.2 0.872 115.2 51.6 -80.4 -33.8 53.6 0.7 5.2 77 113 A R H X S+ 0 0 89 -4,-2.5 4,-1.6 -5,-0.3 -1,-0.2 0.914 115.5 43.2 -66.3 -36.2 51.5 3.8 4.4 78 114 A V H X S+ 0 0 0 -4,-2.1 4,-2.6 -5,-0.3 -2,-0.2 0.904 110.6 54.8 -81.5 -35.1 54.2 6.1 5.9 79 115 A I H X S+ 0 0 2 -4,-2.3 4,-2.8 -5,-0.3 -1,-0.2 0.914 107.0 53.1 -55.4 -43.4 57.0 4.2 4.3 80 116 A N H X S+ 0 0 46 -4,-2.0 4,-2.3 2,-0.2 -2,-0.2 0.907 106.8 50.9 -62.0 -40.6 55.1 4.8 1.0 81 117 A D H X S+ 0 0 47 -4,-1.6 4,-2.3 2,-0.2 -2,-0.2 0.935 110.7 49.0 -56.5 -48.9 55.0 8.6 1.8 82 118 A C H X S+ 0 0 0 -4,-2.6 4,-2.7 1,-0.2 -2,-0.2 0.920 112.1 49.0 -57.0 -45.7 58.8 8.5 2.4 83 119 A N H X S+ 0 0 0 -4,-2.8 4,-2.2 2,-0.2 57,-0.5 0.857 108.0 53.5 -66.0 -35.9 59.3 6.6 -0.9 84 120 A G H X S+ 0 0 7 -4,-2.3 4,-0.8 2,-0.2 -1,-0.2 0.930 111.7 46.1 -63.8 -41.0 57.1 9.1 -2.8 85 121 A V H >X S+ 0 0 0 -4,-2.3 4,-2.3 1,-0.2 3,-1.1 0.953 112.7 49.6 -61.3 -48.5 59.3 11.9 -1.4 86 122 A L H 3< S+ 0 0 25 -4,-2.7 4,-0.4 1,-0.3 -2,-0.2 0.826 108.2 54.2 -62.5 -31.5 62.5 10.0 -2.3 87 123 A D H 3< S+ 0 0 90 -4,-2.2 -1,-0.3 1,-0.2 -2,-0.2 0.686 122.9 27.0 -73.9 -19.8 61.2 9.4 -5.8 88 124 A N H X< S+ 0 0 63 -3,-1.1 3,-1.0 -4,-0.8 4,-0.4 0.529 94.4 89.1-119.7 -13.9 60.6 13.1 -6.4 89 125 A I G >< S+ 0 0 0 -4,-2.3 3,-1.4 1,-0.3 -3,-0.1 0.848 83.2 58.5 -68.4 -33.0 63.1 15.1 -4.2 90 126 A D G 3 S+ 0 0 104 -4,-0.4 -1,-0.3 1,-0.3 -2,-0.1 0.798 109.9 44.8 -67.4 -25.4 66.0 15.2 -6.7 91 127 A A G < S+ 0 0 90 -3,-1.0 -1,-0.3 2,-0.1 2,-0.2 0.431 86.9 121.6 -92.3 -1.8 63.8 17.0 -9.2 92 128 A A < - 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0 0 0 -2,-0.4 -91,-0.2 -8,-0.2 -68,-0.1 -0.845 39.3-120.9-164.4 134.9 49.4 15.7 26.4 325 361 A D - 0 0 7 -93,-2.1 2,-0.6 -2,-0.3 -81,-0.2 -0.377 23.4-124.6 -80.3 157.3 52.5 15.4 24.2 326 362 A I E -H 243 0E 5 -83,-2.3 -83,-2.6 -94,-0.1 2,-0.2 -0.873 16.8-145.0-109.3 112.9 54.0 12.0 23.3 327 363 A V E +H 242 0E 5 -2,-0.6 -85,-0.2 -96,-0.3 3,-0.1 -0.542 24.2 168.3 -74.5 136.5 57.7 11.3 24.1 328 364 A L E + 0 0 14 -87,-2.6 2,-0.3 1,-0.3 -86,-0.2 0.647 66.3 8.0-118.3 -29.4 59.5 9.2 21.5 329 365 A X E -H 241 0E 1 -88,-2.0 -89,-2.1 4,-0.0 -88,-2.0 -0.935 60.0-174.4-159.5 129.4 63.2 9.6 22.5 330 366 A R E >> -H 239 0E 1 -2,-0.3 3,-1.0 -91,-0.3 4,-1.0 -0.872 38.3-113.7-121.9 159.8 65.1 11.1 25.5 331 367 A V H >> S+ 0 0 0 -93,-2.3 4,-2.1 -2,-0.3 3,-0.7 0.863 112.3 66.4 -58.6 -36.8 68.7 11.7 26.3 332 368 A A H 3> S+ 0 0 0 1,-0.3 4,-1.9 2,-0.2 -1,-0.3 0.856 97.4 54.0 -54.4 -39.8 68.5 9.2 29.2 333 369 A E H <> S+ 0 0 1 -3,-1.0 4,-2.7 2,-0.2 -1,-0.3 0.848 105.4 54.2 -59.8 -36.9 67.9 6.4 26.7 334 370 A I H S+ 0 0 6 -4,-2.5 5,-2.8 -5,-0.3 4,-0.4 0.869 106.1 55.8 -62.1 -36.7 80.1 -0.5 25.9 343 379 A A H ><5S+ 0 0 3 -4,-2.0 3,-1.2 1,-0.2 -1,-0.2 0.940 108.6 48.3 -61.3 -43.8 79.3 -3.6 28.2 344 380 A H H 3<5S+ 0 0 33 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.808 113.6 47.1 -64.7 -31.2 79.2 -5.8 25.1 345 381 A L T 3<5S- 0 0 54 -4,-1.6 -1,-0.3 -5,-0.2 -2,-0.2 0.405 111.7-121.2 -86.8 -1.7 82.5 -4.3 23.9 346 382 A N T < 5 + 0 0 114 -3,-1.2 -3,-0.2 -4,-0.4 -2,-0.1 0.815 56.3 158.5 56.6 35.2 84.1 -4.7 27.4 347 383 A D > < - 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0 0 8 -5,-2.3 -1,-0.3 -6,-0.2 2,-0.2 -0.432 60.1 -92.8 -77.6 154.6 69.7 6.0 42.7 364 400 A K - 0 0 74 -2,-0.1 -1,-0.1 1,-0.1 2,-0.1 -0.500 44.0-126.6 -69.1 132.5 72.6 4.2 44.4 365 401 A T - 0 0 45 -2,-0.2 2,-0.5 -7,-0.1 -1,-0.1 -0.397 21.8-107.1 -76.9 157.8 75.7 4.1 42.1 366 402 A I + 0 0 34 -15,-0.2 -11,-0.1 1,-0.1 -1,-0.1 -0.773 40.1 168.9 -87.3 124.5 77.4 0.8 41.3 367 403 A H + 0 0 155 -2,-0.5 2,-0.4 2,-0.0 -1,-0.1 0.098 53.6 75.1-129.5 27.7 80.8 0.5 43.1 368 404 A T S S- 0 0 103 0, 0.0 2,-0.6 0, 0.0 -2,-0.0 -0.975 84.3-111.4-129.3 146.6 81.7 -3.1 42.4 369 405 A N - 0 0 156 -2,-0.4 2,-0.3 -3,-0.0 -2,-0.0 -0.669 36.6-160.7 -74.7 123.7 82.9 -4.6 39.2 370 406 A L - 0 0 64 -2,-0.6 -4,-0.0 1,-0.1 -1,-0.0 -0.665 24.4-100.8-100.4 155.0 80.3 -6.9 37.7 371 407 A S > - 0 0 62 -2,-0.3 4,-2.8 1,-0.1 5,-0.2 -0.301 43.7-103.9 -57.7 158.3 80.8 -9.7 35.1 372 408 A Q H > S+ 0 0 75 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.924 124.9 50.5 -53.2 -45.1 79.8 -8.6 31.6 373 409 A Q H > S+ 0 0 90 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.908 111.8 45.1 -63.6 -43.8 76.6 -10.6 32.1 374 410 A D H > S+ 0 0 80 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.840 112.5 52.5 -68.8 -33.8 75.7 -9.0 35.5 375 411 A L H X S+ 0 0 24 -4,-2.8 4,-2.4 2,-0.2 -2,-0.2 0.943 109.1 50.0 -65.5 -47.0 76.5 -5.5 34.1 376 412 A L H X S+ 0 0 4 -4,-2.8 4,-2.9 -5,-0.2 -2,-0.2 0.930 110.5 49.1 -54.9 -45.6 74.2 -6.2 31.2 377 413 A E H X S+ 0 0 85 -4,-2.2 4,-1.9 1,-0.2 -1,-0.2 0.881 110.3 51.3 -65.0 -33.4 71.4 -7.3 33.6 378 414 A T H X S+ 0 0 29 -4,-1.9 4,-2.1 2,-0.2 -1,-0.2 0.884 111.4 47.9 -68.2 -38.8 72.0 -4.2 35.7 379 415 A I H X S+ 0 0 0 -4,-2.4 4,-2.3 2,-0.2 -2,-0.2 0.933 110.4 51.1 -65.1 -46.9 71.7 -2.0 32.6 380 416 A W H X S+ 0 0 22 -4,-2.9 4,-1.7 1,-0.2 -2,-0.2 0.860 109.8 51.0 -59.2 -38.1 68.5 -3.8 31.5 381 417 A L H X S+ 0 0 63 -4,-1.9 4,-2.1 2,-0.2 -1,-0.2 0.922 108.3 50.9 -66.4 -44.0 67.0 -3.2 35.0 382 418 A E H X S+ 0 0 0 -4,-2.1 4,-3.0 1,-0.2 5,-0.3 0.858 106.3 56.1 -64.4 -34.2 67.8 0.5 34.8 383 419 A R H X S+ 0 0 2 -4,-2.3 4,-2.5 2,-0.2 -1,-0.2 0.926 108.8 46.8 -56.8 -46.8 66.1 0.6 31.4 384 420 A R H < S+ 0 0 71 -4,-1.7 4,-0.4 2,-0.2 -2,-0.2 0.877 116.7 45.3 -61.8 -38.0 62.9 -0.8 33.0 385 421 A K H < S+ 0 0 9 -4,-2.1 3,-0.4 2,-0.2 -2,-0.2 0.923 121.9 33.8 -73.0 -47.3 63.2 1.7 35.8 386 422 A E H < S+ 0 0 0 -4,-3.0 -2,-0.2 1,-0.2 -3,-0.2 0.796 124.2 41.4 -79.9 -35.2 64.0 4.8 33.8 387 423 A L S >< S+ 0 0 4 -4,-2.5 3,-2.5 -5,-0.3 5,-0.4 0.177 76.5 150.2-103.2 14.1 61.9 4.0 30.6 388 424 A W T 3 S+ 0 0 5 -3,-0.4 -3,-0.1 -4,-0.4 -4,-0.1 -0.188 75.2 6.0 -50.0 128.6 58.7 2.6 32.4 389 425 A G T 3 S+ 0 0 0 1,-0.1 -1,-0.3 -355,-0.1 -351,-0.1 0.405 100.7 104.7 80.0 -4.3 55.7 3.3 30.3 390 426 A E S < S- 0 0 11 -3,-2.5 -2,-0.1 -353,-0.1 -355,-0.1 0.409 98.4 -92.7 -96.3 2.8 57.6 4.8 27.3 391 427 A G S S+ 0 0 4 -4,-0.3 4,-0.2 -357,-0.2 -354,-0.1 0.639 94.5 101.5 107.4 20.8 57.3 1.7 25.0 392 428 A F > + 0 0 15 -5,-0.4 4,-2.5 2,-0.1 5,-0.3 0.538 46.5 94.5-112.2 -11.3 60.3 -0.5 25.5 393 429 A S H > S+ 0 0 15 1,-0.2 4,-2.0 2,-0.2 -355,-0.2 0.929 95.4 35.7 -59.1 -50.6 59.3 -3.5 27.7 394 430 A L H > S+ 0 0 0 -357,-1.3 4,-2.6 2,-0.2 -1,-0.2 0.856 114.2 59.0 -67.2 -35.4 58.4 -6.0 25.0 395 431 A I H > S+ 0 0 9 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.934 109.6 43.4 -63.5 -37.7 61.2 -4.7 22.7 396 432 A D H X S+ 0 0 11 -4,-2.5 4,-2.3 2,-0.2 6,-0.3 0.899 110.7 54.4 -71.6 -41.7 63.8 -5.5 25.4 397 433 A I H <>S+ 0 0 11 -4,-2.0 5,-2.0 -5,-0.3 4,-0.4 0.922 114.8 42.2 -56.1 -46.4 62.2 -8.9 26.1 398 434 A I H ><5S+ 0 0 4 -4,-2.6 3,-1.3 3,-0.2 -274,-0.6 0.984 117.3 43.0 -64.9 -59.9 62.5 -9.8 22.4 399 435 A R H 3<5S+ 0 0 9 -4,-2.6 -273,-0.2 1,-0.3 -2,-0.2 0.828 119.7 42.4 -66.5 -29.5 66.0 -8.5 21.7 400 436 A N T 3<5S- 0 0 19 -4,-2.3 -1,-0.3 -5,-0.2 -2,-0.2 0.447 105.0-124.9 -92.6 -1.8 67.6 -9.8 24.9 401 437 A Q T < 5 + 0 0 63 -3,-1.3 -3,-0.2 -4,-0.4 2,-0.1 0.900 60.0 151.0 55.6 44.7 65.8 -13.2 24.7 402 438 A Q < - 0 0 62 -5,-2.0 45,-0.5 -6,-0.3 2,-0.4 -0.442 43.1-118.2 -97.3 170.8 64.4 -12.6 28.2 403 439 A T - 0 0 48 43,-0.2 2,-0.2 -2,-0.1 -361,-0.1 -0.884 23.9-111.3-108.9 146.3 61.3 -13.9 29.8 404 440 A V - 0 0 2 -2,-0.4 2,-0.4 41,-0.3 -363,-0.1 -0.526 35.6-158.1 -59.2 138.7 58.4 -11.9 31.2 405 441 A V + 0 0 76 -2,-0.2 2,-0.3 2,-0.0 40,-0.0 -0.997 17.7 168.7-130.9 127.7 58.3 -12.2 35.0 406 442 A R - 0 0 12 -2,-0.4 2,-0.3 30,-0.2 38,-0.1 -0.890 10.4-168.8-145.0 113.2 55.2 -11.6 37.0 407 443 A N - 0 0 100 -2,-0.3 26,-0.5 1,-0.0 2,-0.2 -0.743 28.9-107.9-103.5 148.0 54.7 -12.4 40.7 408 444 A A - 0 0 63 -2,-0.3 26,-0.1 24,-0.1 -1,-0.0 -0.495 28.1-150.3 -72.2 134.3 51.4 -12.4 42.7 409 445 A Y - 0 0 73 24,-0.3 23,-0.4 -2,-0.2 -1,-0.0 -0.885 24.5-108.6-102.8 137.9 51.0 -9.6 45.2 410 446 A P - 0 0 85 0, 0.0 20,-0.1 0, 0.0 -1,-0.1 -0.218 16.8-130.4 -64.2 156.9 48.8 -10.2 48.3 411 447 A E + 0 0 94 1,-0.3 19,-1.9 18,-0.1 3,-0.2 0.549 45.4 168.0 -80.8 -12.5 45.4 -8.5 48.6 412 448 A G - 0 0 50 17,-0.2 -1,-0.3 1,-0.2 2,-0.2 -0.617 44.2-126.5 78.1-131.7 46.0 -7.1 52.2 413 449 A P - 0 0 77 0, 0.0 2,-0.3 0, 0.0 16,-0.3 0.480 42.9-179.0 -71.4 168.7 44.0 -5.1 53.1 414 450 A I E -K 428 0H 48 14,-2.5 14,-2.3 -3,-0.2 2,-0.7 -0.802 36.8 -91.2-125.8 169.8 46.4 -2.3 54.1 415 451 A D E -K 427 0H 84 -2,-0.3 2,-0.5 12,-0.2 12,-0.2 -0.793 40.7-155.7 -86.7 114.4 45.9 1.2 55.6 416 452 A Y E -K 426 0H 21 10,-3.4 10,-1.9 -2,-0.7 2,-0.5 -0.788 4.8-161.3 -95.2 122.7 45.5 3.6 52.8 417 453 A I E +K 425 0H 103 -2,-0.5 2,-0.3 8,-0.2 8,-0.2 -0.922 24.5 148.2-105.8 129.4 46.4 7.3 53.6 418 454 A Y E -K 424 0H 46 6,-2.0 6,-2.1 -2,-0.5 2,-0.3 -0.904 37.3-116.6-147.7 175.9 45.1 10.1 51.3 419 455 A T E K 423 0H 94 -2,-0.3 4,-0.2 4,-0.2 -2,-0.0 -0.935 360.0 360.0-126.8 149.2 43.9 13.7 51.2 420 456 A D 0 0 106 2,-3.0 -1,-0.0 -2,-0.3 3,-0.0 -0.163 360.0 360.0 -82.3 360.0 40.4 15.3 50.4 421 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 422 460 A Q 0 0 182 0, 0.0 -2,-3.0 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 123.9 43.2 17.3 54.7 423 461 A T E +K 419 0H 93 -4,-0.2 2,-0.3 -6,-0.0 -4,-0.2 -0.716 360.0 170.3-108.9 141.0 44.1 13.7 55.3 424 462 A H E -K 418 0H 81 -6,-2.1 -6,-2.0 -2,-0.3 2,-0.4 -0.884 20.8-134.7-133.3 165.7 42.1 10.5 56.3 425 463 A T E +K 417 0H 72 -2,-0.3 2,-0.3 -8,-0.2 -8,-0.2 -0.990 22.9 167.4-128.6 140.4 42.8 6.7 56.5 426 464 A L E -K 416 0H 49 -10,-1.9 -10,-3.4 -2,-0.4 2,-0.4 -0.975 38.2-106.7-141.9 152.5 40.8 3.7 55.3 427 465 A K E +K 415 0H 126 -2,-0.3 2,-0.3 -12,-0.2 -12,-0.2 -0.687 45.3 172.3 -79.6 129.2 41.4 -0.1 54.9 428 466 A K E -K 414 0H 11 -14,-2.3 -14,-2.5 -2,-0.4 2,-0.2 -0.996 33.1-116.1-137.0 147.8 41.7 -1.1 51.2 429 467 A K E -f 306 0C 81 -124,-2.2 -122,-2.8 -2,-0.3 2,-0.4 -0.566 32.1-129.7 -76.8 144.6 42.7 -4.3 49.3 430 468 A T E -f 307 0C 2 -19,-1.9 2,-0.5 -124,-0.2 -122,-0.2 -0.822 15.8-153.0-102.5 132.3 45.9 -4.1 47.2 431 469 A Q E +f 308 0C 36 -124,-2.1 -122,-0.7 -2,-0.4 2,-0.1 -0.916 21.6 160.7-109.8 122.8 45.9 -5.2 43.5 432 470 A G - 0 0 2 -2,-0.5 -24,-0.1 -23,-0.4 -158,-0.1 -0.142 53.3 -18.4-106.7-150.8 49.1 -6.5 41.8 433 471 A H - 0 0 5 -26,-0.5 -1,-0.3 1,-0.1 -24,-0.3 -0.108 46.9-173.4 -54.0 152.6 49.5 -8.5 38.6 434 472 A R + 0 0 77 1,-0.2 2,-0.6 -3,-0.1 -1,-0.1 0.590 66.9 61.2-119.0 -25.5 46.6 -10.4 37.2 435 473 A F + 0 0 33 1,-0.1 -1,-0.2 -379,-0.1 3,-0.0 -0.938 51.1 167.7-118.5 106.7 48.0 -12.5 34.3 436 474 A F + 0 0 82 -2,-0.6 8,-0.4 -3,-0.1 2,-0.3 0.358 62.5 19.8-104.8 0.5 50.6 -14.9 35.4 437 475 A N S S- 0 0 62 6,-0.1 6,-0.2 -380,-0.1 5,-0.1 -0.919 91.2 -75.1-156.0 174.4 51.0 -17.2 32.3 438 476 A F > - 0 0 1 4,-2.8 3,-2.2 -2,-0.3 -380,-0.1 -0.333 53.5 -97.8 -76.2 164.2 50.3 -17.2 28.6 439 477 A P T 3 S+ 0 0 60 0, 0.0 -1,-0.1 0, 0.0 -381,-0.1 0.789 125.1 52.0 -57.5 -28.8 46.7 -17.6 27.3 440 478 A D T 3 S- 0 0 78 2,-0.1 3,-0.1 3,-0.0 -2,-0.1 0.172 123.3-104.7 -92.0 18.5 47.2 -21.4 26.6 441 479 A K S < S+ 0 0 161 -3,-2.2 2,-0.2 1,-0.3 3,-0.1 0.515 72.1 149.1 69.3 8.8 48.5 -21.8 30.2 442 480 A S - 0 0 54 1,-0.1 -4,-2.8 -5,-0.1 -1,-0.3 -0.513 53.7-110.0 -61.9 139.1 52.1 -22.1 29.0 443 481 A A - 0 0 74 -6,-0.2 -6,-0.1 -2,-0.2 -1,-0.1 -0.370 43.0 -91.4 -62.1 148.5 54.6 -20.7 31.5 444 482 A F + 0 0 33 -8,-0.4 -1,-0.1 -38,-0.1 -41,-0.1 -0.379 61.9 160.2 -63.0 138.6 56.3 -17.5 30.5 445 483 A C > - 0 0 57 -43,-0.1 3,-0.6 -3,-0.1 -41,-0.3 -0.956 42.2 -80.8-151.7 164.8 59.5 -18.2 28.6 446 484 A P T 3 S+ 0 0 63 0, 0.0 -43,-0.2 0, 0.0 -48,-0.1 -0.379 106.4 18.6 -65.9 153.8 61.9 -16.6 26.2 447 485 A N T 3 S+ 0 0 42 -45,-0.5 2,-0.3 -50,-0.3 -324,-0.1 0.858 82.9 170.3 59.5 41.0 61.1 -16.5 22.5 448 486 A S X - 0 0 12 -3,-0.6 3,-2.2 1,-0.1 4,-0.4 -0.653 45.3-127.2 -82.3 143.7 57.4 -17.1 22.8 449 487 A K G > S+ 0 0 45 -2,-0.3 3,-1.0 1,-0.3 -1,-0.1 0.764 108.3 69.8 -51.7 -28.8 55.0 -16.8 19.9 450 488 A Y G 3 S+ 0 0 16 1,-0.2 -388,-0.3 -389,-0.0 -1,-0.3 0.619 90.9 60.4 -70.8 -12.0 53.0 -14.6 22.2 451 489 A Y G < S+ 0 0 0 -3,-2.2 2,-0.3 -390,-0.1 -1,-0.2 0.669 88.1 88.6 -84.7 -22.7 55.7 -11.8 22.0 452 490 A L < - 0 0 2 -3,-1.0 -331,-0.2 -4,-0.4 2,-0.1 -0.637 69.2-131.5 -93.9 141.2 55.7 -11.1 18.3 453 491 A Y - 0 0 1 -333,-2.8 2,-0.4 -2,-0.3 -391,-0.1 -0.449 36.7-135.7 -69.4 151.7 53.7 -8.8 16.1 454 492 A R - 0 0 19 -393,-0.2 -382,-0.1 -2,-0.1 3,-0.1 -0.936 12.4-108.0-121.4 139.1 52.2 -10.6 13.1 455 493 A I - 0 0 14 -2,-0.4 -386,-0.1 -334,-0.2 -387,-0.0 -0.370 56.3-102.6 -53.3 136.7 51.9 -10.0 9.4 456 494 A T > - 0 0 15 -388,-0.1 4,-2.1 1,-0.1 5,-0.2 -0.254 13.5-119.7 -68.5 156.1 48.2 -9.4 8.8 457 495 A D H > S+ 0 0 97 1,-0.2 4,-1.6 2,-0.2 5,-0.2 0.876 115.4 55.8 -56.4 -42.5 45.6 -11.8 7.4 458 496 A S H > S+ 0 0 89 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.917 106.6 49.3 -60.4 -43.4 45.0 -9.3 4.5 459 497 A E H > S+ 0 0 33 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.902 106.8 55.7 -64.0 -40.4 48.7 -9.3 3.6 460 498 A E H < S+ 0 0 51 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.832 114.8 40.3 -61.1 -30.1 48.8 -13.2 3.6 461 499 A L H < S+ 0 0 130 -4,-1.6 -2,-0.2 -3,-0.2 -1,-0.2 0.926 120.4 40.8 -79.1 -49.0 46.0 -13.2 1.1 462 500 A A H < S+ 0 0 68 -4,-2.8 2,-1.0 1,-0.2 -313,-0.2 0.802 106.5 63.6 -74.2 -35.7 47.1 -10.4 -1.1 463 501 A N >< - 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