==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=22-JAN-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER SUGAR BINDING PROTEIN 05-DEC-11 3VLV . COMPND 2 MOLECULE: ALGQ1; . SOURCE 2 ORGANISM_SCIENTIFIC: SPHINGOMONAS SP.; . AUTHOR Y.NISHITANI,Y.MARUYAMA,T.ITOH,B.MIKAMI,W.HASHIMOTO,K.MURATA . 489 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 21362.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 324 66.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 25 5.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 35 7.2 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 . 3 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 0.6 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 . 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 . 22 4.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 49 10.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 163 33.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 11 2.2 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 3 1 1 3 1 3 3 0 0 2 1 2 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 RESIDUES PER ALPHA HELIX . 4 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 0 PARALLEL BRIDGES PER LADDER . 2 2 1 3 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 ANTIPARALLEL BRIDGES PER LADDER . 3 1 0 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 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 1 A R 0 0 200 0, 0.0 2,-0.3 0, 0.0 7,-0.1 0.000 360.0 360.0 360.0 142.4 43.4 18.6 13.9 2 2 A E > - 0 0 90 36,-0.1 3,-1.4 35,-0.1 36,-0.0 -0.926 360.0-123.2-124.6 154.8 42.5 15.1 15.0 3 3 A A T 3 S+ 0 0 110 -2,-0.3 -1,-0.1 1,-0.3 35,-0.0 0.726 113.6 57.1 -64.8 -22.5 43.3 11.6 13.6 4 4 A T T 3 S+ 0 0 56 34,-0.1 -1,-0.3 2,-0.0 2,-0.1 0.451 76.7 126.0 -89.6 -4.0 39.6 11.0 13.3 5 5 A W < - 0 0 69 -3,-1.4 35,-0.2 1,-0.2 34,-0.2 -0.359 42.0-168.4 -56.9 127.7 39.0 14.0 11.1 6 6 A V S S+ 0 0 24 33,-2.4 2,-0.3 1,-0.2 -1,-0.2 0.433 76.9 29.1 -98.0 -3.4 37.2 13.0 7.9 7 7 A T - 0 0 25 32,-0.6 -1,-0.2 1,-0.1 4,-0.1 -0.969 62.1-149.2-154.4 140.8 37.8 16.5 6.4 8 8 A E S S+ 0 0 111 -2,-0.3 -1,-0.1 -3,-0.1 -2,-0.0 0.923 91.4 59.5 -74.6 -48.1 40.6 19.1 6.8 9 9 A K S S- 0 0 163 1,-0.1 -1,-0.1 32,-0.0 0, 0.0 -0.719 103.9-105.1 -81.6 127.8 38.3 22.0 6.1 10 10 A P - 0 0 91 0, 0.0 2,-0.4 0, 0.0 31,-0.2 -0.252 39.4-156.4 -55.7 137.1 35.3 22.1 8.6 11 11 A L E -a 41 0A 28 29,-2.2 31,-3.2 -4,-0.1 2,-0.5 -0.966 11.9-163.8-124.6 134.4 32.1 21.0 7.0 12 12 A T E -a 42 0A 87 -2,-0.4 2,-0.3 29,-0.2 31,-0.2 -0.974 12.8-176.1-116.3 127.2 28.5 21.8 8.0 13 13 A L E -a 43 0A 3 29,-2.7 31,-2.8 -2,-0.5 2,-0.5 -0.916 24.0-121.7-122.9 150.4 25.6 19.6 6.6 14 14 A K E -a 44 0A 111 -2,-0.3 56,-2.0 29,-0.2 55,-1.9 -0.776 27.4-169.5 -93.7 128.4 21.8 19.9 7.0 15 15 A I E -ab 45 70A 0 29,-2.7 31,-2.0 -2,-0.5 2,-0.8 -0.970 15.6-156.8-120.4 128.9 19.9 17.0 8.5 16 16 A H E + b 0 71A 15 54,-2.6 56,-2.2 -2,-0.4 2,-0.4 -0.914 30.6 156.3 -98.1 107.3 16.2 16.4 8.7 17 17 A M E + b 0 72A 1 -2,-0.8 8,-1.5 54,-0.2 2,-0.5 -0.848 8.9 163.7-136.4 99.6 15.6 14.1 11.6 18 18 A H E +E 24 0B 6 54,-0.6 2,-0.3 -2,-0.4 56,-0.2 -0.977 25.2 179.3-110.2 125.3 12.2 14.1 13.3 19 19 A F E >> -E 23 0B 0 4,-2.8 3,-1.8 -2,-0.5 4,-1.5 -0.961 42.3 -2.0-141.6 149.4 11.8 11.0 15.4 20 20 A R T 34 S- 0 0 58 -2,-0.3 -1,-0.1 1,-0.3 4,-0.1 0.668 109.8 -77.0 52.6 26.1 9.6 8.9 17.8 21 21 A D T 34 S+ 0 0 70 2,-0.2 -1,-0.3 1,-0.1 3,-0.1 0.506 127.0 48.7 69.3 10.4 6.9 11.6 17.6 22 22 A K T <4 S+ 0 0 101 -3,-1.8 -2,-0.2 1,-0.2 2,-0.2 0.543 92.5 67.0-137.6 -44.5 8.6 14.1 20.0 23 23 A W E < -E 19 0B 59 -4,-1.5 -4,-2.8 29,-0.1 2,-0.3 -0.467 44.8-170.8 -98.1 157.8 12.3 14.8 19.2 24 24 A V E -E 18 0B 29 -6,-0.2 -6,-0.2 -2,-0.2 2,-0.1 -0.917 45.5 -78.3-130.9 162.1 14.5 16.4 16.4 25 25 A W - 0 0 17 -8,-1.5 2,-0.5 -2,-0.3 20,-0.2 -0.405 46.0-158.1 -58.7 131.4 18.2 16.4 15.8 26 26 A D > - 0 0 62 1,-0.1 3,-1.8 -2,-0.1 6,-0.3 -0.954 16.5-162.5-121.7 112.1 19.9 18.9 18.1 27 27 A E T 3 S+ 0 0 90 -2,-0.5 -1,-0.1 1,-0.3 16,-0.1 0.696 93.5 62.5 -61.2 -21.6 23.3 20.3 17.1 28 28 A N T 3 S+ 0 0 109 4,-0.1 -1,-0.3 -3,-0.1 -3,-0.0 0.545 75.2 121.2 -82.9 -9.8 23.7 21.4 20.8 29 29 A W S <> S- 0 0 14 -3,-1.8 4,-2.7 1,-0.1 5,-0.2 -0.298 70.4-129.8 -51.3 133.1 23.5 17.8 22.0 30 30 A P H > S+ 0 0 43 0, 0.0 4,-1.9 0, 0.0 5,-0.1 0.890 110.4 48.8 -52.6 -42.2 26.7 16.9 23.9 31 31 A V H > S+ 0 0 4 350,-2.2 4,-2.5 2,-0.2 5,-0.2 0.938 110.8 49.4 -63.9 -47.9 27.0 13.7 21.7 32 32 A A H > S+ 0 0 8 349,-0.4 4,-2.5 -6,-0.3 -1,-0.2 0.912 112.0 49.1 -55.3 -45.7 26.5 15.7 18.5 33 33 A R H X S+ 0 0 162 -4,-2.7 4,-1.8 1,-0.2 -1,-0.2 0.845 111.5 48.8 -64.9 -36.6 29.2 18.2 19.6 34 34 A E H X S+ 0 0 30 -4,-1.9 4,-2.1 -5,-0.2 -2,-0.2 0.886 112.0 47.7 -71.7 -40.6 31.7 15.5 20.5 35 35 A V H X S+ 0 0 3 -4,-2.5 4,-2.4 2,-0.2 6,-0.4 0.909 112.2 50.9 -64.3 -42.7 31.2 13.7 17.1 36 36 A A H X S+ 0 0 12 -4,-2.5 4,-2.0 -5,-0.2 -2,-0.2 0.877 109.6 50.9 -60.6 -40.7 31.6 17.1 15.4 37 37 A R H < S+ 0 0 118 -4,-1.8 -2,-0.2 1,-0.2 -1,-0.2 0.919 115.8 40.9 -61.1 -45.9 34.8 17.7 17.3 38 38 A L H < S+ 0 0 15 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.804 126.1 31.8 -77.3 -31.1 36.3 14.4 16.4 39 39 A T H < S- 0 0 0 -4,-2.4 -33,-2.4 2,-0.2 -32,-0.6 0.646 94.2-129.8-101.8 -19.2 35.2 14.2 12.7 40 40 A N S < S+ 0 0 20 -4,-2.0 -29,-2.2 -5,-0.3 2,-0.5 0.620 74.0 114.2 71.5 16.5 35.2 17.9 11.8 41 41 A V E -a 11 0A 3 -6,-0.4 2,-0.4 -5,-0.2 -1,-0.2 -0.979 50.1-162.2-119.3 121.5 31.7 17.5 10.4 42 42 A K E -a 12 0A 132 -31,-3.2 -29,-2.7 -2,-0.5 2,-0.5 -0.856 5.4-150.8-103.3 134.7 28.8 19.4 12.0 43 43 A L E -a 13 0A 11 -2,-0.4 2,-0.5 -31,-0.2 -29,-0.2 -0.928 8.0-162.9-107.1 125.7 25.2 18.5 11.5 44 44 A V E -a 14 0A 36 -31,-2.8 -29,-2.7 -2,-0.5 2,-0.2 -0.920 18.8-126.6-108.7 129.4 22.5 21.2 11.8 45 45 A G E +a 15 0A 26 -2,-0.5 -29,-0.2 -31,-0.2 -18,-0.1 -0.506 27.8 173.5 -78.7 139.8 18.9 20.2 12.2 46 46 A V + 0 0 61 -31,-2.0 -30,-0.2 -2,-0.2 -1,-0.1 0.385 43.2 112.5-122.2 -2.8 16.1 21.5 9.9 47 47 A A S S- 0 0 17 -32,-0.5 2,-0.6 -22,-0.1 -23,-0.1 -0.351 77.3 -99.1 -74.3 154.3 13.1 19.5 11.1 48 48 A N > - 0 0 93 1,-0.1 3,-0.9 -2,-0.1 -1,-0.1 -0.651 26.3-159.7 -79.8 115.6 10.2 21.1 12.9 49 49 A R T 3 S+ 0 0 215 -2,-0.6 -1,-0.1 1,-0.2 -25,-0.1 0.510 84.5 63.2 -74.5 -5.2 10.5 20.7 16.7 50 50 A A T 3 S+ 0 0 82 -27,-0.0 -1,-0.2 2,-0.0 -2,-0.0 0.690 79.2 102.0 -91.9 -21.2 6.8 21.3 17.3 51 51 A A < - 0 0 19 -3,-0.9 3,-0.1 1,-0.1 -4,-0.0 -0.270 49.8-164.5 -71.2 149.5 5.3 18.3 15.4 52 52 A T S S+ 0 0 114 1,-0.1 2,-0.4 2,-0.0 -1,-0.1 0.214 75.2 71.8-114.9 10.3 4.0 15.1 17.0 53 53 A N > - 0 0 64 1,-0.1 4,-1.5 -31,-0.1 -1,-0.1 -0.891 53.9-178.1-130.5 101.8 4.0 13.0 13.8 54 54 A S H > S+ 0 0 3 -2,-0.4 4,-1.6 2,-0.2 -36,-0.2 0.876 84.4 51.5 -65.8 -41.9 7.4 12.0 12.5 55 55 A Q H > S+ 0 0 47 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.874 108.3 52.2 -65.1 -39.6 6.1 10.2 9.4 56 56 A E H > S+ 0 0 101 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.883 107.2 54.1 -61.1 -40.2 4.0 13.2 8.4 57 57 A Q H X S+ 0 0 25 -4,-1.5 4,-2.1 2,-0.2 -2,-0.2 0.842 107.1 49.6 -65.9 -36.6 7.1 15.4 8.7 58 58 A F H X S+ 0 0 4 -4,-1.6 4,-2.9 2,-0.2 -1,-0.2 0.924 111.8 50.0 -63.2 -46.0 9.1 13.1 6.3 59 59 A N H X S+ 0 0 75 -4,-2.0 4,-1.8 2,-0.2 -2,-0.2 0.889 112.0 46.3 -60.1 -44.2 6.2 13.3 3.9 60 60 A L H < S+ 0 0 93 -4,-2.5 4,-0.4 2,-0.2 -1,-0.2 0.896 113.8 49.8 -65.0 -42.3 6.0 17.1 4.0 61 61 A M H ><>S+ 0 0 15 -4,-2.1 3,-1.0 1,-0.2 5,-0.6 0.924 111.6 47.6 -60.1 -49.1 9.8 17.3 3.6 62 62 A M H 3<5S+ 0 0 30 -4,-2.9 3,-0.5 1,-0.2 -1,-0.2 0.838 115.6 44.5 -64.0 -35.6 9.8 15.0 0.6 63 63 A A T 3<5S+ 0 0 89 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.438 92.2 86.9 -88.0 -0.6 7.0 16.8 -1.1 64 64 A S T < 5S- 0 0 67 -3,-1.0 -1,-0.2 -4,-0.4 -2,-0.1 0.282 97.2-121.7 -86.8 9.5 8.4 20.3 -0.3 65 65 A G T 5S+ 0 0 79 -3,-0.5 2,-0.4 1,-0.1 -3,-0.1 0.493 86.5 92.8 63.6 1.3 10.7 20.5 -3.4 66 66 A Q < - 0 0 157 -5,-0.6 -2,-0.3 0, 0.0 -1,-0.1 -0.980 55.0-168.8-126.1 140.9 13.6 20.8 -1.1 67 67 A L - 0 0 51 -2,-0.4 4,-0.1 -3,-0.1 -5,-0.0 -0.984 13.1-140.5-126.8 139.0 15.9 18.1 0.4 68 68 A P - 0 0 11 0, 0.0 254,-0.4 0, 0.0 255,-0.2 -0.025 34.2-101.7 -75.4-169.0 18.5 18.4 3.1 69 69 A D S S+ 0 0 27 -55,-1.9 251,-1.9 1,-0.3 2,-0.3 0.811 102.8 21.8 -84.5 -35.1 21.9 16.6 3.0 70 70 A I E -bC 15 319A 0 -56,-2.0 -54,-2.6 249,-0.2 2,-0.4 -0.982 62.7-159.6-135.3 142.5 20.9 13.8 5.4 71 71 A V E +bC 16 318A 0 247,-2.0 247,-2.5 -2,-0.3 2,-0.3 -0.995 21.6 168.8-123.8 126.4 17.6 12.3 6.4 72 72 A G E +bC 17 317A 1 -56,-2.2 -54,-0.6 -2,-0.4 245,-0.2 -0.874 12.6 97.3-130.7 163.8 17.3 10.3 9.6 73 73 A G E - C 0 316A 0 243,-1.9 243,-2.2 313,-0.9 3,-0.5 -0.794 59.4 -54.0 146.5 176.0 14.7 8.8 11.9 74 74 A D S S+ 0 0 16 -56,-0.2 241,-0.2 -2,-0.2 -56,-0.1 -0.481 106.5 12.7 -84.7 153.2 12.6 5.9 13.0 75 75 A N S S+ 0 0 54 -2,-0.2 240,-0.2 1,-0.1 -1,-0.2 0.833 87.1 120.6 51.2 43.6 10.4 3.7 10.8 76 76 A L > + 0 0 6 238,-1.4 4,-3.1 -3,-0.5 5,-0.2 0.388 32.4 103.1-114.4 0.4 11.9 5.1 7.6 77 77 A K H > S+ 0 0 53 237,-1.8 4,-2.4 1,-0.2 5,-0.2 0.914 84.5 46.9 -47.6 -53.9 13.2 1.9 6.0 78 78 A D H > S+ 0 0 38 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.852 115.3 45.9 -62.4 -37.3 10.4 1.6 3.5 79 79 A K H > S+ 0 0 37 2,-0.2 4,-2.5 1,-0.2 5,-0.3 0.858 110.0 53.7 -74.2 -37.1 10.7 5.2 2.5 80 80 A F H X S+ 0 0 0 -4,-3.1 4,-1.3 2,-0.2 -2,-0.2 0.916 114.0 43.1 -59.5 -44.2 14.5 5.0 2.3 81 81 A I H X S+ 0 0 2 -4,-2.4 4,-2.2 -5,-0.2 -2,-0.2 0.935 116.1 46.7 -68.1 -48.9 14.1 2.1 -0.1 82 82 A R H X S+ 0 0 96 -4,-2.4 4,-1.1 1,-0.2 -2,-0.2 0.949 119.6 37.8 -59.1 -53.8 11.2 3.6 -2.2 83 83 A Y H X>S+ 0 0 33 -4,-2.5 5,-2.6 1,-0.2 6,-1.1 0.699 111.8 61.0 -77.2 -19.2 12.8 7.1 -2.6 84 84 A G H ><5S+ 0 0 3 -4,-1.3 3,-0.6 -5,-0.3 -1,-0.2 0.933 106.4 45.0 -65.7 -48.6 16.3 5.5 -3.0 85 85 A M H 3<5S+ 0 0 52 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.753 111.2 54.6 -68.2 -24.5 15.1 3.6 -6.1 86 86 A E H 3<5S- 0 0 122 -4,-1.1 -1,-0.2 -5,-0.2 -2,-0.2 0.674 121.7-110.4 -79.1 -20.1 13.4 6.8 -7.3 87 87 A G T <<5S+ 0 0 45 -4,-0.7 -3,-0.2 -3,-0.6 -2,-0.1 0.432 89.9 111.8 106.4 2.3 16.8 8.6 -7.0 88 88 A A S + 0 0 0 32,-2.7 4,-2.9 -2,-0.1 5,-0.3 0.450 62.3 99.6-109.9 -3.8 25.9 3.6 -0.6 93 93 A N H > S+ 0 0 58 31,-0.3 4,-2.2 1,-0.2 5,-0.1 0.909 90.9 35.4 -50.8 -56.9 27.5 0.4 -1.9 94 94 A K H > S+ 0 0 151 2,-0.2 4,-2.2 1,-0.2 5,-0.2 0.872 116.5 55.1 -68.6 -39.3 30.5 2.0 -3.7 95 95 A L H > S+ 0 0 27 -4,-0.2 4,-2.0 2,-0.2 5,-0.3 0.883 111.6 44.1 -61.5 -41.2 30.9 4.7 -1.0 96 96 A I H X S+ 0 0 8 -4,-2.9 4,-2.2 3,-0.2 8,-0.3 0.935 112.3 52.6 -66.6 -48.5 31.1 2.1 1.7 97 97 A D H < S+ 0 0 97 -4,-2.2 -2,-0.2 -5,-0.3 -1,-0.2 0.854 121.6 30.9 -54.6 -41.2 33.5 -0.1 -0.3 98 98 A Q H < S+ 0 0 132 -4,-2.2 -1,-0.2 -5,-0.1 -2,-0.2 0.748 136.0 18.3 -92.7 -27.4 35.9 2.8 -1.0 99 99 A N H < S+ 0 0 36 -4,-2.0 -3,-0.2 -5,-0.2 -2,-0.2 0.481 108.5 68.2-127.9 -7.2 35.6 5.0 2.1 100 100 A A X + 0 0 1 -4,-2.2 4,-2.5 -5,-0.3 5,-0.2 -0.656 41.6 164.0-127.3 77.4 34.0 3.1 5.0 101 101 A P H > S+ 0 0 91 0, 0.0 4,-1.9 0, 0.0 5,-0.2 0.826 79.3 52.9 -63.0 -35.6 36.2 0.3 6.5 102 102 A N H > S+ 0 0 60 2,-0.2 4,-1.7 1,-0.2 5,-0.1 0.913 114.5 41.0 -66.1 -44.5 34.2 -0.1 9.7 103 103 A L H > S+ 0 0 0 2,-0.2 4,-2.8 1,-0.2 5,-0.2 0.890 112.2 55.0 -69.5 -42.7 30.9 -0.6 7.9 104 104 A K H X S+ 0 0 80 -4,-2.5 4,-1.4 -8,-0.3 -2,-0.2 0.899 112.6 43.4 -57.8 -43.4 32.4 -2.8 5.2 105 105 A A H X S+ 0 0 59 -4,-1.9 4,-1.3 -5,-0.2 -1,-0.2 0.842 112.3 54.3 -70.0 -36.0 33.7 -5.1 7.9 106 106 A F H X S+ 0 0 6 -4,-1.7 4,-1.0 1,-0.2 -2,-0.2 0.923 109.2 46.5 -63.1 -46.8 30.4 -4.9 9.8 107 107 A F H < S+ 0 0 8 -4,-2.8 7,-0.3 1,-0.2 -1,-0.2 0.820 109.2 54.7 -68.5 -33.0 28.3 -6.0 6.8 108 108 A K H < S+ 0 0 162 -4,-1.4 -1,-0.2 -5,-0.2 -2,-0.2 0.825 115.3 39.8 -66.3 -33.4 30.7 -8.9 5.9 109 109 A T H < S+ 0 0 99 -4,-1.3 -2,-0.2 1,-0.2 -1,-0.2 0.535 119.6 47.9 -93.6 -10.1 30.3 -10.2 9.5 110 110 A H X + 0 0 51 -4,-1.0 4,-1.9 1,-0.1 3,-0.4 -0.605 59.9 160.4-129.1 72.6 26.6 -9.4 9.6 111 111 A P H > S+ 0 0 87 0, 0.0 4,-2.4 0, 0.0 5,-0.1 0.800 75.8 58.5 -64.3 -30.0 25.0 -10.8 6.4 112 112 A E H > S+ 0 0 145 2,-0.2 4,-2.0 1,-0.2 5,-0.1 0.867 107.0 47.2 -65.5 -39.1 21.5 -10.8 7.9 113 113 A V H > S+ 0 0 4 -3,-0.4 4,-1.2 2,-0.2 -1,-0.2 0.904 112.2 49.8 -68.4 -42.8 21.7 -7.0 8.6 114 114 A Q H X S+ 0 0 72 -4,-1.9 4,-1.1 -7,-0.3 3,-0.3 0.909 112.3 48.2 -61.7 -43.5 23.0 -6.4 5.1 115 115 A R H < S+ 0 0 83 -4,-2.4 3,-0.3 1,-0.2 -2,-0.2 0.898 108.1 54.7 -61.6 -43.8 20.1 -8.4 3.6 116 116 A A H < S+ 0 0 15 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.751 115.2 38.1 -65.4 -26.5 17.5 -6.7 5.8 117 117 A I H < S+ 0 0 0 -4,-1.2 8,-0.6 -3,-0.3 2,-0.3 0.582 91.3 105.5-101.7 -13.4 18.5 -3.2 4.5 118 118 A T B < -G 124 0D 42 -4,-1.1 6,-0.2 -3,-0.3 5,-0.1 -0.531 65.5-132.3 -77.4 130.6 19.3 -4.0 0.9 119 119 A A > - 0 0 4 4,-2.8 3,-2.3 -2,-0.3 309,-0.1 -0.317 29.1-102.4 -73.8 161.0 16.7 -2.8 -1.7 120 120 A P T 3 S+ 0 0 43 0, 0.0 308,-0.2 0, 0.0 -1,-0.1 0.671 122.2 61.1 -61.3 -16.7 15.5 -5.2 -4.5 121 121 A D T 3 S- 0 0 67 2,-0.2 3,-0.1 306,-0.1 306,-0.0 0.402 122.0-106.7 -87.0 1.1 17.8 -3.4 -7.0 122 122 A G S < S+ 0 0 38 -3,-2.3 2,-0.3 1,-0.3 -4,-0.0 0.341 78.5 129.7 92.3 -4.5 20.8 -4.5 -4.9 123 123 A N - 0 0 47 -5,-0.1 -4,-2.8 -42,-0.1 2,-0.7 -0.606 55.3-139.3 -91.3 142.6 21.5 -1.0 -3.5 124 124 A I B +G 118 0D 6 -2,-0.3 -32,-2.7 -6,-0.2 -31,-0.3 -0.893 24.7 173.4 -93.8 115.7 21.9 0.0 0.2 125 125 A Y + 0 0 9 -2,-0.7 194,-0.3 -8,-0.6 2,-0.3 0.469 60.7 18.8-104.4 -5.4 20.1 3.3 0.6 126 126 A Y - 0 0 2 -9,-0.2 192,-0.2 192,-0.2 -1,-0.1 -0.985 67.4-120.8-156.8 161.1 20.4 3.8 4.3 127 127 A L E -D 317 0A 0 190,-2.6 190,-1.8 -2,-0.3 2,-0.1 -0.944 40.7-132.2-107.7 132.3 22.4 2.7 7.4 128 128 A P E -D 316 0A 0 0, 0.0 261,-0.7 0, 0.0 2,-0.7 -0.381 14.0-110.9 -90.2 157.7 20.3 1.1 10.1 129 129 A Y E -h 389 0E 38 186,-2.1 184,-2.4 184,-0.4 186,-0.3 -0.782 39.2-158.4 -70.5 116.2 19.9 1.3 13.9 130 130 A V E -h 390 0E 1 259,-3.0 261,-2.8 -2,-0.7 181,-0.1 -0.886 6.0-153.9-107.4 98.9 21.4 -2.0 14.9 131 131 A P - 0 0 3 0, 0.0 2,-0.4 0, 0.0 262,-0.1 -0.185 3.1-142.5 -66.2 164.4 20.0 -3.0 18.3 132 132 A D + 0 0 47 260,-0.1 2,-0.2 258,-0.1 260,-0.1 -0.996 54.4 49.5-135.3 127.6 22.0 -5.3 20.7 133 133 A G - 0 0 26 -2,-0.4 3,-0.1 258,-0.1 178,-0.0 -0.815 66.1-112.6 136.4-176.4 20.4 -8.0 22.9 134 134 A L S S+ 0 0 115 1,-0.3 175,-1.9 -2,-0.2 2,-0.1 0.731 86.6 39.8-120.2 -67.2 17.9 -10.9 22.7 135 135 A V + 0 0 10 173,-0.2 -1,-0.3 1,-0.1 173,-0.2 -0.472 53.7 174.6 -84.5 162.3 14.7 -10.3 24.7 136 136 A S + 0 0 2 1,-0.5 135,-1.6 171,-0.4 2,-0.2 0.483 55.5 23.7-127.1 -77.7 12.9 -7.0 24.7 137 137 A R E +I 270 0F 12 133,-0.2 -1,-0.5 134,-0.1 2,-0.3 -0.617 55.2 170.7-101.3 155.0 9.6 -6.8 26.5 138 138 A G E -I 269 0F 0 131,-2.2 131,-1.8 -2,-0.2 2,-0.3 -0.959 40.1 -88.1-150.3 165.6 8.0 -8.9 29.2 139 139 A Y E -IJ 268 293F 3 154,-0.7 154,-2.9 -2,-0.3 2,-0.4 -0.598 38.6-167.3 -78.4 136.5 4.9 -8.8 31.5 140 140 A F E -IJ 267 292F 0 127,-2.6 127,-2.3 -2,-0.3 2,-0.3 -0.994 5.9-177.1-125.6 133.3 5.3 -7.0 34.8 141 141 A I E -IJ 266 291F 0 150,-2.5 150,-2.8 -2,-0.4 2,-1.2 -0.943 37.0-102.8-130.9 151.3 2.7 -7.2 37.6 142 142 A R E > - J 0 290F 0 123,-2.3 4,-2.0 -2,-0.3 3,-0.3 -0.607 33.5-176.8 -74.5 95.8 2.4 -5.5 41.0 143 143 A Q H > S+ 0 0 39 146,-2.6 4,-2.7 -2,-1.2 -1,-0.2 0.862 82.5 57.3 -60.1 -38.6 3.6 -8.3 43.4 144 144 A D H > S+ 0 0 25 145,-0.8 4,-2.1 1,-0.2 -1,-0.2 0.837 107.6 47.8 -63.8 -33.0 2.8 -6.1 46.4 145 145 A W H > S+ 0 0 0 -3,-0.3 4,-1.9 144,-0.2 -1,-0.2 0.871 110.6 50.8 -74.1 -39.6 -0.8 -5.7 45.2 146 146 A L H <>S+ 0 0 0 -4,-2.0 5,-3.3 2,-0.2 4,-0.2 0.932 114.2 45.6 -57.9 -46.5 -1.1 -9.5 44.7 147 147 A D H ><5S+ 0 0 84 -4,-2.7 3,-0.8 3,-0.2 -2,-0.2 0.878 111.5 50.6 -66.5 -41.0 0.3 -10.0 48.2 148 148 A K H 3<5S+ 0 0 117 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.849 115.4 42.6 -66.2 -36.2 -2.0 -7.4 49.8 149 149 A L T 3<5S- 0 0 36 -4,-1.9 -1,-0.2 -5,-0.1 -2,-0.2 0.366 113.1-120.7 -91.5 3.3 -5.1 -8.8 48.2 150 150 A H T < 5 + 0 0 168 -3,-0.8 2,-0.4 -4,-0.2 -3,-0.2 0.880 61.5 148.9 58.0 44.7 -3.9 -12.4 49.0 151 151 A L < - 0 0 45 -5,-3.3 -1,-0.2 -6,-0.2 2,-0.1 -0.868 43.6-129.0-110.9 141.6 -3.9 -13.4 45.3 152 152 A K - 0 0 184 -2,-0.4 11,-0.0 1,-0.1 3,-0.0 -0.436 45.0 -80.6 -78.7 158.9 -1.6 -15.9 43.6 153 153 A T - 0 0 50 -2,-0.1 2,-0.2 1,-0.1 -1,-0.1 -0.473 56.4-110.7 -59.6 121.8 0.4 -15.1 40.5 154 154 A P - 0 0 2 0, 0.0 -1,-0.1 0, 0.0 3,-0.0 -0.408 36.6-179.3 -64.8 126.2 -2.1 -15.5 37.6 155 155 A Q + 0 0 77 -2,-0.2 142,-3.0 141,-0.1 2,-0.3 0.648 65.2 35.2 -99.9 -22.6 -1.2 -18.5 35.5 156 156 A T B > S-m 297 0G 40 140,-0.3 4,-2.1 1,-0.1 142,-0.2 -0.817 86.2-107.6-127.2 168.0 -4.0 -18.3 32.9 157 157 A V H > S+ 0 0 9 140,-1.6 4,-2.3 -2,-0.3 5,-0.1 0.874 120.8 53.3 -63.7 -38.6 -5.9 -15.5 31.2 158 158 A D H > S+ 0 0 129 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.893 109.7 47.7 -63.0 -41.5 -9.0 -16.3 33.3 159 159 A E H > S+ 0 0 90 2,-0.2 4,-1.9 1,-0.2 -2,-0.2 0.867 110.4 53.1 -65.2 -37.7 -7.0 -16.0 36.5 160 160 A L H X S+ 0 0 0 -4,-2.1 4,-3.0 2,-0.2 5,-0.2 0.884 103.9 55.9 -65.2 -40.4 -5.5 -12.7 35.2 161 161 A Y H X S+ 0 0 67 -4,-2.3 4,-2.6 1,-0.2 -1,-0.2 0.929 108.5 47.7 -54.6 -49.1 -9.0 -11.3 34.6 162 162 A T H X S+ 0 0 84 -4,-1.6 4,-2.1 2,-0.2 -1,-0.2 0.899 113.1 49.0 -59.2 -43.6 -9.9 -12.0 38.3 163 163 A V H X S+ 0 0 6 -4,-1.9 4,-2.2 2,-0.2 -2,-0.2 0.926 113.2 45.1 -63.2 -48.0 -6.6 -10.4 39.4 164 164 A L H X S+ 0 0 0 -4,-3.0 4,-2.0 2,-0.2 -2,-0.2 0.876 112.0 52.4 -67.2 -37.6 -7.1 -7.2 37.3 165 165 A K H X S+ 0 0 67 -4,-2.6 4,-2.3 -5,-0.2 -1,-0.2 0.897 109.9 49.6 -61.3 -41.5 -10.7 -7.0 38.3 166 166 A A H X S+ 0 0 15 -4,-2.1 4,-2.7 2,-0.2 -2,-0.2 0.878 107.7 53.5 -65.1 -39.8 -9.5 -7.2 42.0 167 167 A F H < S+ 0 0 0 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.905 114.1 43.4 -58.2 -42.3 -6.9 -4.4 41.3 168 168 A K H < S+ 0 0 71 -4,-2.0 12,-0.3 1,-0.1 -2,-0.2 0.880 126.9 27.2 -69.9 -39.9 -9.8 -2.2 39.9 169 169 A E H < S+ 0 0 104 -4,-2.3 -3,-0.2 1,-0.1 -2,-0.2 0.704 110.2 61.0-102.9 -24.4 -12.3 -2.9 42.6 170 170 A K S < S- 0 0 138 -4,-2.7 -1,-0.1 -5,-0.2 -3,-0.1 0.132 93.6-123.5-104.6 20.6 -10.6 -3.8 45.9 171 171 A D > + 0 0 46 -3,-0.2 3,-1.4 -4,-0.2 5,-0.2 0.862 35.6 177.5 48.4 57.6 -8.6 -0.6 46.5 172 172 A P T 3 S+ 0 0 0 0, 0.0 -1,-0.1 0, 0.0 -5,-0.1 0.746 79.5 56.5 -66.6 -22.1 -5.0 -2.1 46.7 173 173 A N T 3 S- 0 0 24 -6,-0.2 -2,-0.1 4,-0.2 90,-0.0 0.551 104.8-135.9 -83.5 -7.3 -3.5 1.4 47.2 174 174 A G < + 0 0 57 -3,-1.4 -3,-0.1 1,-0.1 -4,-0.0 0.704 66.4 123.0 68.7 27.4 -5.8 1.8 50.2 175 175 A N S S- 0 0 66 2,-0.3 -1,-0.1 0, 0.0 3,-0.1 0.366 79.8-115.1 -99.4 4.4 -7.0 5.4 49.6 176 176 A G S S+ 0 0 67 1,-0.2 2,-0.3 -5,-0.2 -5,-0.0 0.545 81.9 110.4 74.6 8.7 -10.7 4.5 49.6 177 177 A K S S- 0 0 132 -6,-0.0 2,-1.6 0, 0.0 3,-0.4 -0.891 74.5-128.5-117.8 145.7 -11.0 5.5 46.0 178 178 A A + 0 0 91 -2,-0.3 -9,-0.1 1,-0.2 -10,-0.1 -0.580 68.4 124.2 -85.3 71.1 -11.6 3.5 42.8 179 179 A D + 0 0 40 -2,-1.6 -1,-0.2 2,-0.0 2,-0.1 0.487 32.5 117.7-109.8 -8.9 -8.5 5.1 41.1 180 180 A E - 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0 0 71 -2,-0.4 4,-2.5 1,-0.1 5,-0.2 -0.783 12.8-151.9 -86.6 116.8 -18.5 -3.5 16.7 459 459 A P H > S+ 0 0 9 0, 0.0 4,-0.8 0, 0.0 -1,-0.1 0.826 95.2 48.1 -59.8 -35.3 -15.8 -5.9 15.3 460 460 A E H 4 S+ 0 0 88 2,-0.2 3,-0.4 1,-0.2 4,-0.4 0.937 116.5 41.8 -68.1 -48.2 -18.4 -8.6 14.5 461 461 A K H 4 S+ 0 0 171 1,-0.2 4,-0.3 2,-0.1 3,-0.2 0.807 120.8 41.6 -70.1 -32.1 -20.8 -6.2 12.8 462 462 A T H X S+ 0 0 30 -4,-2.5 4,-2.9 1,-0.2 -1,-0.2 0.496 86.1 95.2 -96.3 -5.1 -18.1 -4.3 10.9 463 463 A W H X S+ 0 0 19 -4,-0.8 4,-2.5 -3,-0.4 5,-0.2 0.859 85.3 48.6 -57.8 -42.4 -15.9 -7.3 9.8 464 464 A N H > S+ 0 0 131 -4,-0.4 4,-1.9 -3,-0.2 -1,-0.2 0.914 114.9 44.5 -64.3 -44.6 -17.5 -7.7 6.4 465 465 A D H > S+ 0 0 95 -4,-0.3 4,-2.3 2,-0.2 -2,-0.2 0.884 113.2 52.8 -64.1 -41.0 -17.2 -3.9 5.6 466 466 A Y H X S+ 0 0 0 -4,-2.9 4,-2.2 2,-0.2 -2,-0.2 0.908 109.3 48.0 -60.4 -46.0 -13.6 -4.0 7.0 467 467 A Q H X S+ 0 0 39 -4,-2.5 4,-1.7 2,-0.2 -1,-0.2 0.865 111.9 49.8 -65.0 -38.4 -12.6 -6.9 4.7 468 468 A Q H X S+ 0 0 95 -4,-1.9 4,-2.4 2,-0.2 -2,-0.2 0.891 110.7 50.5 -65.2 -40.9 -14.2 -5.2 1.7 469 469 A Q H X S+ 0 0 54 -4,-2.3 4,-2.0 2,-0.2 -2,-0.2 0.863 105.7 55.7 -65.5 -38.1 -12.3 -2.0 2.6 470 470 A L H <>S+ 0 0 0 -4,-2.2 5,-3.0 2,-0.2 6,-0.4 0.917 110.8 45.2 -58.6 -44.4 -9.0 -3.9 2.9 471 471 A K H ><5S+ 0 0 133 -4,-1.7 3,-1.5 3,-0.2 -2,-0.2 0.927 112.6 50.2 -63.9 -47.2 -9.5 -5.2 -0.7 472 472 A N H 3<5S+ 0 0 101 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.796 109.6 51.6 -61.5 -31.4 -10.5 -1.7 -1.9 473 473 A R T 3<5S- 0 0 91 -4,-2.0 -1,-0.3 -5,-0.1 -2,-0.2 0.362 122.0-108.4 -88.9 3.1 -7.3 -0.3 -0.3 474 474 A G T <>5S+ 0 0 0 -3,-1.5 4,-1.6 -5,-0.1 3,-0.4 0.600 74.9 136.7 85.6 14.9 -5.2 -2.9 -2.0 475 475 A F H > S+ 0 0 85 -6,-0.4 4,-1.6 2,-0.2 -1,-0.2 0.722 105.4 57.1 -79.2 -18.6 -4.9 -8.3 -0.8 477 477 A Q H > S+ 0 0 85 -3,-0.4 4,-1.6 2,-0.2 -1,-0.2 0.874 109.4 47.4 -67.2 -40.8 -2.8 -7.2 -3.7 478 478 A V H X S+ 0 0 0 -4,-1.6 4,-2.0 1,-0.2 -2,-0.2 0.894 109.9 52.9 -64.7 -41.6 -0.0 -6.8 -1.1 479 479 A M H X S+ 0 0 28 -4,-2.1 4,-2.1 1,-0.2 -2,-0.2 0.860 105.5 54.2 -64.0 -37.4 -0.8 -10.2 0.3 480 480 A I H X S+ 0 0 118 -4,-1.6 4,-2.1 1,-0.2 -1,-0.2 0.928 111.6 43.7 -62.1 -46.3 -0.4 -11.8 -3.1 481 481 A V H X S+ 0 0 19 -4,-1.6 4,-2.1 2,-0.2 -2,-0.2 0.826 111.2 55.3 -69.8 -31.9 3.1 -10.4 -3.6 482 482 A M H X S+ 0 0 8 -4,-2.0 4,-1.8 2,-0.2 -2,-0.2 0.917 112.2 42.2 -64.5 -45.2 4.1 -11.2 0.0 483 483 A Q H X S+ 0 0 31 -4,-2.1 4,-2.9 2,-0.2 -2,-0.2 0.876 112.7 54.2 -68.6 -39.3 3.2 -14.9 -0.5 484 484 A K H X S+ 0 0 121 -4,-2.1 4,-1.7 2,-0.2 -2,-0.2 0.889 110.4 46.5 -60.5 -43.1 4.8 -14.9 -4.0 485 485 A A H X S+ 0 0 0 -4,-2.1 4,-1.8 2,-0.2 -60,-0.3 0.870 112.9 50.0 -67.7 -38.7 8.0 -13.6 -2.5 486 486 A Y H X S+ 0 0 40 -4,-1.8 4,-3.2 2,-0.2 -2,-0.2 0.931 110.5 48.7 -63.7 -48.1 7.8 -16.2 0.3 487 487 A D H < S+ 0 0 91 -4,-2.9 -2,-0.2 3,-0.2 -1,-0.2 0.829 110.7 52.1 -62.3 -34.8 7.2 -19.1 -2.1 488 488 A R H < S+ 0 0 119 -4,-1.7 -1,-0.2 -5,-0.2 -2,-0.2 0.901 117.1 37.7 -66.7 -43.4 10.2 -17.9 -4.2 489 489 A Q H < 0 0 75 -4,-1.8 -2,-0.2 -5,-0.1 -3,-0.2 0.911 360.0 360.0 -76.1 -46.0 12.6 -17.8 -1.3 490 490 A Y < 0 0 152 -4,-3.2 -3,-0.2 -5,-0.2 -2,-0.2 0.604 360.0 360.0-108.9 360.0 11.3 -20.9 0.6