==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-NOV-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSPORT PROTEIN 05-NOV-10 2XWV . COMPND 2 MOLECULE: SIALIC ACID-BINDING PERIPLASMIC PROTEIN SIAP; . SOURCE 2 ORGANISM_SCIENTIFIC: HAEMOPHILUS INFLUENZAE; . AUTHOR M.FISCHER,R.E.HUBBARD . 309 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13690.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 235 76.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 21 6.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 26 8.4 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 13 4.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 41 13.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 116 37.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 2.3 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 1 0 3 0 0 1 2 0 0 0 1 0 1 0 0 0 0 0 0 1 0 0 0 0 0 0 1 RESIDUES PER ALPHA HELIX . 1 1 1 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 PARALLEL BRIDGES PER LADDER . 0 0 1 1 1 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 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 1 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 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 A 0 0 55 0, 0.0 3,-0.4 0, 0.0 34,-0.1 0.000 360.0 360.0 360.0 168.1 32.5 11.3 -4.2 2 2 A D + 0 0 114 32,-0.4 2,-0.5 1,-0.3 34,-0.2 0.905 360.0 28.3 -56.9 -40.1 32.6 13.5 -7.2 3 3 A Y E S-a 36 0A 48 32,-2.3 34,-2.4 2,-0.0 2,-1.1 -0.909 71.7-170.4-128.3 99.3 29.6 11.6 -8.6 4 4 A D E -a 37 0A 94 -2,-0.5 2,-0.2 -3,-0.4 34,-0.2 -0.788 25.4-177.7 -89.7 92.5 27.4 10.1 -5.9 5 5 A L E -a 38 0A 5 32,-2.8 34,-2.8 -2,-1.1 2,-0.4 -0.602 17.2-146.3-103.1 159.8 25.3 7.9 -8.2 6 6 A K E -a 39 0A 81 32,-0.2 57,-2.2 -2,-0.2 56,-0.8 -0.972 5.9-163.7-131.4 139.1 22.3 5.7 -7.5 7 7 A F E -ab 40 63A 1 32,-2.5 34,-2.7 -2,-0.4 2,-0.3 -0.978 14.9-164.3-127.3 110.8 21.1 2.4 -9.1 8 8 A G E +ab 41 64A 0 55,-2.2 57,-0.7 -2,-0.5 2,-0.3 -0.727 13.2 166.7 -96.9 150.3 17.5 1.3 -8.3 9 9 A M - 0 0 2 32,-2.4 35,-2.3 -2,-0.3 36,-0.4 -0.994 42.2-137.3-157.1 151.9 16.0 -2.1 -8.8 10 10 A N S S+ 0 0 36 -2,-0.3 -1,-0.1 33,-0.2 38,-0.0 0.779 82.5 93.5 -71.9 -34.7 13.0 -4.2 -8.0 11 11 A A S S- 0 0 6 32,-0.1 32,-2.4 31,-0.1 33,-0.3 -0.259 74.1-126.3 -62.7 153.3 15.3 -7.2 -7.3 12 12 A G > - 0 0 5 30,-0.2 3,-1.8 31,-0.1 6,-0.4 -0.271 28.7 -88.3 -97.9-176.6 16.5 -7.9 -3.8 13 13 A T T 3 S+ 0 0 91 1,-0.3 -2,-0.1 5,-0.1 -1,-0.0 0.621 122.6 55.2 -72.6 -11.3 19.8 -8.4 -2.1 14 14 A S T 3 S+ 0 0 91 180,-0.2 -1,-0.3 4,-0.0 2,-0.2 0.277 91.9 104.6 -99.3 9.0 19.8 -12.1 -2.7 15 15 A S S <> S- 0 0 8 -3,-1.8 4,-2.1 1,-0.1 5,-0.1 -0.489 77.0-125.0 -96.3 161.0 19.3 -11.8 -6.4 16 16 A N H > S+ 0 0 28 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.881 112.3 58.9 -63.4 -40.5 21.6 -12.2 -9.5 17 17 A E H > S+ 0 0 21 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.923 107.7 45.4 -55.3 -45.8 20.6 -8.7 -10.6 18 18 A Y H > S+ 0 0 45 -6,-0.4 4,-2.2 2,-0.2 -1,-0.2 0.916 111.4 52.0 -65.6 -44.5 21.9 -7.3 -7.3 19 19 A K H X S+ 0 0 108 -4,-2.1 4,-1.8 2,-0.2 -2,-0.2 0.911 112.4 45.8 -61.3 -41.3 25.1 -9.3 -7.5 20 20 A A H X S+ 0 0 0 -4,-2.7 4,-2.4 1,-0.2 -1,-0.2 0.901 110.7 52.6 -68.7 -38.6 25.8 -8.1 -11.0 21 21 A A H X S+ 0 0 0 -4,-2.4 4,-2.8 -5,-0.2 -2,-0.2 0.856 106.7 54.3 -63.5 -33.9 25.0 -4.5 -10.0 22 22 A E H X S+ 0 0 87 -4,-2.2 4,-2.3 2,-0.2 -2,-0.2 0.913 108.0 49.4 -64.5 -40.6 27.5 -4.9 -7.2 23 23 A M H X S+ 0 0 62 -4,-1.8 4,-2.6 2,-0.2 5,-0.2 0.941 111.9 48.9 -60.4 -48.4 30.1 -6.0 -9.8 24 24 A F H X S+ 0 0 0 -4,-2.4 4,-2.5 1,-0.2 -2,-0.2 0.939 111.6 48.5 -55.2 -52.4 29.3 -3.0 -11.9 25 25 A A H X S+ 0 0 13 -4,-2.8 4,-2.3 1,-0.2 13,-0.3 0.883 112.2 49.2 -59.4 -43.3 29.5 -0.6 -8.9 26 26 A K H X S+ 0 0 143 -4,-2.3 4,-2.4 2,-0.2 -1,-0.2 0.924 112.1 46.8 -64.0 -45.5 32.9 -2.0 -7.9 27 27 A E H X S+ 0 0 23 -4,-2.6 4,-3.1 2,-0.2 5,-0.3 0.915 112.5 50.4 -64.8 -42.4 34.4 -1.8 -11.3 28 28 A V H X S+ 0 0 0 -4,-2.5 4,-2.0 -5,-0.2 8,-0.3 0.925 111.1 48.2 -61.7 -45.0 33.2 1.7 -11.8 29 29 A K H <>S+ 0 0 103 -4,-2.3 5,-2.7 -5,-0.2 7,-0.2 0.931 117.0 42.5 -60.9 -45.0 34.6 2.9 -8.5 30 30 A E H ><5S+ 0 0 117 -4,-2.4 3,-1.8 1,-0.2 -2,-0.2 0.961 117.5 43.2 -65.3 -52.7 37.9 1.3 -9.2 31 31 A K H 3<5S+ 0 0 103 -4,-3.1 -1,-0.2 1,-0.3 -2,-0.2 0.729 110.4 56.1 -75.4 -19.0 38.3 2.3 -12.8 32 32 A S T ><5S- 0 0 5 -4,-2.0 3,-1.7 -5,-0.3 -1,-0.3 0.332 112.7-119.8 -84.8 3.8 37.1 5.8 -12.2 33 33 A Q T < 5S- 0 0 167 -3,-1.8 -3,-0.2 1,-0.3 -2,-0.1 0.845 72.2 -54.5 56.4 37.7 39.9 6.2 -9.5 34 34 A G T 3 + 0 0 9 0, 0.0 3,-1.8 0, 0.0 -30,-0.2 -0.122 46.2 43.3 -83.9-179.2 17.0 -2.7 -4.2 43 43 A S T 3 S- 0 0 60 -32,-2.4 -33,-0.2 1,-0.3 -31,-0.1 0.737 124.0 -66.8 54.8 35.9 13.6 -4.2 -3.4 44 44 A S T > S+ 0 0 23 -35,-2.3 3,-1.7 -3,-0.3 -1,-0.3 0.731 84.6 151.3 62.5 26.0 11.6 -1.4 -5.0 45 45 A Q T < S+ 0 0 127 -3,-1.8 3,-0.1 -36,-0.4 -2,-0.1 0.833 79.1 39.9 -49.7 -39.4 12.8 1.1 -2.3 46 46 A L T 3 S- 0 0 57 1,-0.5 -1,-0.3 -5,-0.4 2,-0.2 0.375 130.5 -85.9 -95.9 4.3 12.4 3.9 -4.9 47 47 A G < - 0 0 28 -3,-1.7 -1,-0.5 -38,-0.1 -38,-0.1 -0.704 63.5 -49.4 113.7-175.7 9.2 2.5 -6.5 48 48 A D > - 0 0 31 -2,-0.2 4,-2.6 -3,-0.1 5,-0.2 -0.120 65.8 -86.1 -82.2-174.9 8.7 -0.1 -9.2 49 49 A D H > S+ 0 0 24 2,-0.2 4,-2.2 1,-0.2 5,-0.1 0.804 128.1 56.3 -69.2 -28.7 10.4 -0.2 -12.6 50 50 A R H > S+ 0 0 106 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.938 112.3 43.6 -64.8 -44.4 7.8 2.1 -14.2 51 51 A A H > S+ 0 0 31 1,-0.2 4,-2.0 2,-0.2 -2,-0.2 0.913 112.7 51.7 -64.8 -44.7 8.6 4.7 -11.4 52 52 A M H X S+ 0 0 0 -4,-2.6 4,-2.1 1,-0.2 -1,-0.2 0.876 106.3 53.9 -66.8 -35.2 12.3 4.1 -11.7 53 53 A L H X S+ 0 0 10 -4,-2.2 4,-2.3 2,-0.2 -1,-0.2 0.900 107.6 51.0 -61.5 -41.3 12.2 4.7 -15.5 54 54 A K H X S+ 0 0 133 -4,-1.6 4,-2.4 1,-0.2 -2,-0.2 0.880 108.1 53.2 -62.0 -35.6 10.5 8.0 -14.9 55 55 A Q H X>S+ 0 0 41 -4,-2.0 6,-1.4 2,-0.2 5,-1.4 0.852 107.7 49.7 -70.5 -35.2 13.2 8.9 -12.4 56 56 A L H ><5S+ 0 0 0 -4,-2.1 3,-0.7 4,-0.2 165,-0.5 0.933 111.0 50.8 -63.7 -43.4 15.9 8.2 -15.0 57 57 A K H 3<5S+ 0 0 112 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.940 114.5 42.5 -58.4 -45.2 14.0 10.4 -17.4 58 58 A D H 3<5S- 0 0 96 -4,-2.4 -1,-0.2 -5,-0.1 -2,-0.2 0.544 113.0-119.0 -77.8 -11.7 13.8 13.2 -14.9 59 59 A G T <<5S+ 0 0 25 -4,-0.8 -3,-0.2 -3,-0.7 -4,-0.1 0.488 83.8 113.8 84.5 5.8 17.4 12.7 -13.8 60 60 A S S - 0 0 38 -2,-0.3 3,-1.3 147,-0.2 4,-0.5 -0.581 28.6-118.9 -76.5 152.7 13.3 -5.4 -19.9 68 68 A S G > S+ 0 0 0 1,-0.3 3,-1.6 -2,-0.2 4,-0.1 0.908 116.5 60.6 -52.8 -40.6 13.1 -4.6 -23.6 69 69 A A G > S+ 0 0 5 1,-0.3 3,-2.1 12,-0.2 -1,-0.3 0.735 87.0 72.6 -60.0 -28.0 9.4 -5.6 -23.2 70 70 A R G X S+ 0 0 14 -3,-1.3 3,-1.8 1,-0.3 -1,-0.3 0.761 81.2 73.2 -66.0 -20.5 8.8 -2.8 -20.6 71 71 A F G X> + 0 0 1 -3,-1.6 4,-2.5 -4,-0.5 3,-1.9 0.580 68.9 89.9 -73.2 -1.9 9.0 -0.3 -23.4 72 72 A Q G <4 S+ 0 0 25 -3,-2.1 -1,-0.3 6,-0.3 7,-0.2 0.746 73.3 73.2 -57.7 -21.6 5.6 -1.5 -24.6 73 73 A L G <4 S+ 0 0 85 -3,-1.8 -1,-0.3 1,-0.2 -2,-0.2 0.751 113.8 21.1 -62.5 -25.7 4.3 1.2 -22.2 74 74 A F T <4 S+ 0 0 86 -3,-1.9 -2,-0.2 1,-0.3 -1,-0.2 0.733 134.7 33.5-112.1 -34.8 5.5 3.8 -24.7 75 75 A Y S >< S- 0 0 24 -4,-2.5 3,-2.4 1,-0.1 -1,-0.3 -0.938 71.1-157.0-128.3 98.6 5.6 1.9 -28.0 76 76 A P G > S+ 0 0 74 0, 0.0 3,-1.8 0, 0.0 -1,-0.1 0.792 88.8 64.2 -56.5 -33.4 2.9 -0.7 -28.1 77 77 A E G > S+ 0 0 12 1,-0.3 3,-1.9 2,-0.2 -5,-0.1 0.711 84.0 76.9 -61.3 -22.8 4.6 -2.8 -30.7 78 78 A A G X S+ 0 0 0 -3,-2.4 3,-1.7 1,-0.3 -6,-0.3 0.605 70.0 85.5 -67.5 -7.7 7.5 -3.4 -28.2 79 79 A A G X> + 0 0 6 -3,-1.8 3,-2.4 1,-0.3 4,-0.6 0.721 66.6 86.7 -61.2 -18.5 5.1 -5.9 -26.5 80 80 A V G X4 S+ 0 0 0 -3,-1.9 3,-0.7 1,-0.3 -1,-0.3 0.812 76.4 65.1 -49.2 -35.3 6.6 -8.3 -29.1 81 81 A F G <4 S+ 0 0 10 -3,-1.7 130,-0.3 1,-0.2 -1,-0.3 0.652 114.0 29.8 -64.0 -19.6 9.4 -9.0 -26.6 82 82 A A G <4 S+ 0 0 3 -3,-2.4 -1,-0.2 -4,-0.2 -2,-0.2 0.228 76.6 127.9-129.4 15.3 7.0 -10.6 -24.1 83 83 A L S XX S- 0 0 3 -3,-0.7 3,-2.1 -4,-0.6 4,-0.6 -0.598 79.3 -97.8 -64.2 122.9 4.2 -12.1 -26.3 84 84 A P T 34 S- 0 0 0 0, 0.0 126,-0.2 0, 0.0 125,-0.1 -0.191 98.4 -0.8 -56.7 131.4 4.3 -15.6 -24.8 85 85 A Y T 34 S+ 0 0 36 124,-1.7 125,-0.1 2,-0.2 -2,-0.1 0.331 102.6 104.3 76.7 -0.5 6.3 -18.1 -26.8 86 86 A V T <4 S+ 0 0 19 -3,-2.1 2,-0.6 123,-0.2 -5,-0.1 0.973 72.2 55.5 -73.3 -58.3 7.3 -15.7 -29.6 87 87 A I S < S- 0 0 14 -4,-0.6 -2,-0.2 -7,-0.3 -1,-0.1 -0.684 75.5-162.6 -75.2 119.7 10.9 -15.0 -28.6 88 88 A S - 0 0 83 -2,-0.6 2,-0.3 1,-0.2 -1,-0.2 0.861 56.4 -22.5 -76.7 -39.3 12.4 -18.5 -28.5 89 89 A N S > S- 0 0 47 122,-0.1 4,-2.0 1,-0.1 3,-0.2 -0.931 73.2 -81.7-161.0 177.1 15.6 -17.9 -26.5 90 90 A Y H > S+ 0 0 27 -2,-0.3 4,-2.5 1,-0.2 5,-0.2 0.865 121.3 62.7 -64.8 -35.5 18.1 -15.3 -25.4 91 91 A N H > S+ 0 0 49 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.926 107.7 44.6 -54.9 -42.9 20.0 -15.6 -28.7 92 92 A V H > S+ 0 0 4 1,-0.2 4,-2.9 -3,-0.2 -1,-0.2 0.909 110.0 54.6 -66.6 -44.8 16.8 -14.3 -30.4 93 93 A A H X S+ 0 0 4 -4,-2.0 4,-1.5 1,-0.2 -2,-0.2 0.871 108.4 49.9 -57.9 -38.1 16.3 -11.6 -27.7 94 94 A Q H X S+ 0 0 75 -4,-2.5 4,-2.5 2,-0.2 5,-0.3 0.939 115.4 41.2 -64.1 -50.0 19.8 -10.2 -28.3 95 95 A K H X S+ 0 0 70 -4,-1.8 4,-2.1 -5,-0.2 -2,-0.2 0.842 109.9 59.5 -69.1 -33.0 19.4 -10.1 -32.1 96 96 A A H < S+ 0 0 0 -4,-2.9 7,-0.4 -5,-0.2 4,-0.3 0.902 114.3 36.6 -58.6 -44.7 15.8 -8.7 -31.8 97 97 A L H < S+ 0 0 0 -4,-1.5 10,-0.3 -5,-0.2 -2,-0.2 0.939 132.2 23.1 -74.1 -50.4 17.1 -5.7 -29.8 98 98 A F H < S+ 0 0 77 -4,-2.5 -3,-0.2 -5,-0.2 -2,-0.2 0.682 124.8 42.6 -94.9 -22.9 20.4 -5.0 -31.6 99 99 A D S < S+ 0 0 109 -4,-2.1 2,-0.3 -5,-0.3 -1,-0.2 0.019 95.5 77.2-125.2 23.1 20.1 -6.5 -35.1 100 100 A T S > S- 0 0 12 -4,-0.3 4,-2.6 -3,-0.2 5,-0.2 -0.944 77.6-125.2-121.9 156.5 16.7 -5.6 -36.3 101 101 A E H > S+ 0 0 135 -2,-0.3 4,-2.3 1,-0.2 5,-0.2 0.919 114.1 54.7 -61.9 -39.7 15.4 -2.3 -37.7 102 102 A F H > S+ 0 0 21 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.920 111.2 43.0 -54.6 -52.6 12.7 -2.5 -35.1 103 103 A G H > S+ 0 0 0 -7,-0.4 4,-2.4 2,-0.2 -2,-0.2 0.918 112.2 52.0 -68.7 -42.5 15.2 -2.9 -32.2 104 104 A K H X S+ 0 0 81 -4,-2.6 4,-1.8 1,-0.2 -1,-0.2 0.901 111.1 48.5 -60.5 -40.7 17.6 -0.3 -33.4 105 105 A D H X S+ 0 0 80 -4,-2.3 4,-2.4 -5,-0.2 -1,-0.2 0.888 107.9 55.2 -65.6 -38.0 14.8 2.2 -33.7 106 106 A L H X S+ 0 0 3 -4,-2.1 4,-2.4 2,-0.2 -2,-0.2 0.921 106.3 51.0 -58.3 -47.3 13.6 1.3 -30.2 107 107 A I H X S+ 0 0 40 -4,-2.4 4,-1.7 -10,-0.3 -1,-0.2 0.922 110.2 49.4 -59.4 -43.7 17.0 2.1 -28.8 108 108 A K H X S+ 0 0 140 -4,-1.8 4,-2.6 1,-0.2 -1,-0.2 0.908 111.1 49.6 -62.0 -40.5 17.1 5.5 -30.5 109 109 A K H X>S+ 0 0 28 -4,-2.4 4,-3.1 2,-0.2 5,-1.0 0.865 104.1 58.6 -67.1 -37.7 13.6 6.3 -29.2 110 110 A M H X5S+ 0 0 0 -4,-2.4 6,-2.0 -5,-0.2 4,-0.8 0.927 112.6 41.2 -56.1 -41.2 14.6 5.3 -25.7 111 111 A D H X5S+ 0 0 81 -4,-1.7 4,-0.8 4,-0.2 -2,-0.2 0.960 122.3 39.4 -69.2 -52.1 17.3 8.0 -25.9 112 112 A K H <5S+ 0 0 155 -4,-2.6 -2,-0.2 1,-0.2 -3,-0.2 0.888 130.9 20.8 -68.6 -44.5 15.2 10.7 -27.7 113 113 A D H <5S+ 0 0 58 -4,-3.1 -3,-0.2 -5,-0.2 -1,-0.2 0.761 129.3 37.9 -99.7 -31.6 11.9 10.3 -26.0 114 114 A L H < S- 0 0 47 133,-0.2 3,-1.6 -3,-0.2 4,-0.3 -0.960 85.6 -84.9-156.4 174.6 -1.8 -29.7 -17.8 138 138 A I G > S+ 0 0 41 133,-0.3 3,-1.8 -2,-0.3 4,-0.4 0.802 118.7 71.3 -57.4 -27.8 -3.4 -26.6 -19.1 139 139 A A G > S+ 0 0 69 1,-0.3 3,-1.4 2,-0.2 -1,-0.3 0.845 88.1 62.3 -59.4 -34.6 -6.6 -27.7 -17.5 140 140 A D G < S+ 0 0 44 -3,-1.6 -1,-0.3 1,-0.3 -2,-0.2 0.650 93.4 64.3 -67.4 -16.3 -5.1 -26.9 -14.1 141 141 A M G X S+ 0 0 0 -3,-1.8 3,-2.1 -4,-0.3 -1,-0.3 0.689 72.9 115.6 -73.0 -23.5 -4.8 -23.3 -15.1 142 142 A K T < S- 0 0 156 -3,-1.4 21,-0.2 -4,-0.4 3,-0.1 -0.326 97.8 -11.8 -64.0 118.8 -8.5 -22.9 -15.3 143 143 A G T 3 S+ 0 0 37 19,-2.4 -1,-0.3 1,-0.2 2,-0.2 0.555 90.8 152.8 71.0 2.4 -9.5 -20.5 -12.7 144 144 A L < - 0 0 0 -3,-2.1 20,-2.9 18,-0.1 2,-1.2 -0.535 52.8-122.4 -59.2 129.4 -6.1 -20.5 -10.9 145 145 A K E -g 164 0B 102 -2,-0.2 38,-2.4 18,-0.2 39,-1.2 -0.668 40.1-171.2 -79.8 97.2 -5.7 -17.2 -9.1 146 146 A L E -gh 165 184B 0 18,-1.7 20,-2.0 -2,-1.2 39,-0.2 -0.850 16.1-141.6-103.4 110.8 -2.4 -16.2 -10.8 147 147 A R E -g 166 0B 3 37,-2.8 39,-0.3 -2,-0.7 35,-0.0 -0.489 25.2-179.6 -64.0 140.7 -0.5 -13.2 -9.7 148 148 A V E -g 167 0B 0 18,-1.8 20,-2.2 -2,-0.2 7,-0.0 -0.954 29.3-106.6-132.1 154.7 1.0 -11.2 -12.5 149 149 A P - 0 0 21 0, 0.0 2,-2.0 0, 0.0 20,-0.2 -0.230 52.0 -85.8 -65.2 171.8 3.2 -8.0 -12.5 150 150 A N S S+ 0 0 47 18,-0.1 2,-0.3 17,-0.1 19,-0.0 -0.548 92.4 114.9 -81.3 70.5 1.6 -4.8 -13.7 151 151 A A > - 0 0 12 -2,-2.0 4,-2.1 1,-0.1 3,-0.2 -0.984 66.7-136.0-146.4 134.3 2.3 -5.6 -17.3 152 152 A A H > S+ 0 0 59 -2,-0.3 4,-2.3 1,-0.2 5,-0.1 0.832 103.0 55.0 -64.2 -38.1 -0.1 -6.2 -20.2 153 153 A T H > S+ 0 0 1 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.890 109.8 45.1 -65.8 -40.4 1.8 -9.1 -21.6 154 154 A N H > S+ 0 0 6 -3,-0.2 4,-2.2 2,-0.2 -2,-0.2 0.906 111.9 52.6 -70.3 -36.8 1.8 -11.1 -18.3 155 155 A L H X S+ 0 0 58 -4,-2.1 4,-2.5 1,-0.2 -2,-0.2 0.914 110.4 49.0 -60.5 -41.2 -1.9 -10.3 -17.8 156 156 A A H X S+ 0 0 10 -4,-2.3 4,-2.9 2,-0.2 5,-0.3 0.895 105.6 56.8 -67.5 -39.1 -2.5 -11.7 -21.2 157 157 A Y H X S+ 0 0 0 -4,-2.1 4,-1.8 1,-0.2 6,-0.2 0.955 111.9 43.3 -50.0 -55.8 -0.5 -14.8 -20.5 158 158 A A H X>S+ 0 0 0 -4,-2.2 5,-2.0 1,-0.2 4,-0.5 0.922 115.9 47.4 -59.9 -45.9 -2.8 -15.5 -17.5 159 159 A K H ><5S+ 0 0 133 -4,-2.5 3,-1.2 1,-0.2 -1,-0.2 0.933 111.9 47.5 -62.4 -50.9 -6.0 -14.6 -19.4 160 160 A Y H 3<5S+ 0 0 58 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.816 108.4 53.7 -72.4 -25.4 -5.3 -16.7 -22.5 161 161 A V H 3<5S- 0 0 8 -4,-1.8 -1,-0.3 -5,-0.3 -2,-0.2 0.559 122.6-104.1 -81.5 -7.1 -4.3 -19.8 -20.6 162 162 A G T <<5S+ 0 0 19 -3,-1.2 -19,-2.4 -4,-0.5 -3,-0.2 0.446 75.6 134.2 102.9 5.1 -7.5 -19.7 -18.7 163 163 A A < - 0 0 9 -5,-2.0 -1,-0.3 -21,-0.2 -18,-0.2 -0.256 59.5-117.3 -80.5 169.4 -6.2 -18.4 -15.3 164 164 A S E -g 145 0B 52 -20,-2.9 -18,-1.7 -23,-0.2 2,-0.1 -0.909 37.5-143.9-105.8 101.7 -7.8 -15.6 -13.2 165 165 A P E -g 146 0B 49 0, 0.0 -18,-0.2 0, 0.0 -20,-0.1 -0.436 19.7-172.6 -76.4 147.3 -5.1 -12.8 -13.0 166 166 A T E -g 147 0B 56 -20,-2.0 -18,-1.8 -2,-0.1 2,-0.2 -0.930 17.5-148.3-128.4 110.6 -4.4 -10.6 -10.1 167 167 A P E +g 148 0B 57 0, 0.0 2,-0.3 0, 0.0 -17,-0.1 -0.509 31.3 147.7 -76.3 139.6 -1.9 -7.8 -10.8 168 168 A M - 0 0 32 -20,-2.2 -18,-0.1 -2,-0.2 5,-0.1 -0.966 47.8 -88.4-163.9 157.3 0.3 -6.7 -8.1 169 169 A A > - 0 0 32 -2,-0.3 3,-1.7 -20,-0.2 4,-0.4 -0.260 40.2-112.3 -65.6 151.8 3.8 -5.3 -7.5 170 170 A F G > S+ 0 0 35 1,-0.3 3,-1.5 2,-0.2 4,-0.5 0.852 114.3 61.2 -51.2 -41.5 6.8 -7.7 -7.0 171 171 A S G 3 S+ 0 0 63 1,-0.3 4,-0.3 2,-0.1 -1,-0.3 0.729 103.3 51.0 -60.6 -24.8 7.2 -6.6 -3.4 172 172 A E G <> S+ 0 0 109 -3,-1.7 4,-1.6 1,-0.2 -1,-0.3 0.490 87.3 86.5 -90.8 -8.4 3.7 -7.8 -2.5 173 173 A V H <> S+ 0 0 0 -3,-1.5 4,-2.4 -4,-0.4 5,-0.3 0.911 78.5 57.4 -69.5 -46.9 3.9 -11.3 -3.9 174 174 A Y H > S+ 0 0 63 -4,-0.5 4,-2.8 1,-0.2 -1,-0.2 0.927 110.7 44.7 -54.1 -46.1 5.4 -13.3 -1.1 175 175 A L H > S+ 0 0 107 -4,-0.3 4,-2.3 1,-0.2 6,-0.3 0.888 110.7 54.5 -64.4 -40.5 2.6 -12.4 1.3 176 176 A A H <>S+ 0 0 8 -4,-1.6 6,-1.6 1,-0.2 5,-1.3 0.890 113.3 42.4 -60.0 -41.5 -0.0 -13.0 -1.3 177 177 A L H ><5S+ 0 0 1 -4,-2.4 3,-1.0 3,-0.2 -2,-0.2 0.926 112.7 53.1 -67.5 -46.9 1.3 -16.5 -1.9 178 178 A Q H 3<5S+ 0 0 102 -4,-2.8 -2,-0.2 1,-0.3 -3,-0.2 0.862 115.3 39.9 -56.5 -43.4 1.8 -17.2 1.8 179 179 A T T 3<5S- 0 0 82 -4,-2.3 -1,-0.3 -5,-0.2 -2,-0.2 0.453 108.3-123.0 -85.6 -4.1 -1.8 -16.3 2.7 180 180 A N T < 5 + 0 0 88 -3,-1.0 -3,-0.2 -4,-0.3 -4,-0.1 0.705 67.8 139.5 58.2 28.4 -3.2 -18.0 -0.4 181 181 A A S > -E 127 0B 3 0, 0.0 4,-1.8 0, 0.0 3,-0.9 -0.313 50.1-106.2 -63.8 160.7 12.2 -17.2 -13.7 189 189 A L H 3> S+ 0 0 3 -63,-0.6 4,-2.1 1,-0.3 5,-0.2 0.843 118.4 60.1 -53.5 -41.9 13.7 -19.8 -11.4 190 190 A A H 3> S+ 0 0 8 1,-0.2 4,-2.9 2,-0.2 -1,-0.3 0.845 106.1 47.0 -62.6 -33.9 16.3 -17.4 -10.1 191 191 A A H <> S+ 0 0 11 -3,-0.9 4,-2.7 2,-0.2 6,-0.4 0.860 106.3 57.1 -75.0 -35.6 13.6 -15.1 -8.8 192 192 A V H <>S+ 0 0 2 -4,-1.8 5,-1.3 2,-0.2 6,-1.0 0.909 115.0 40.6 -56.7 -41.3 11.7 -18.0 -7.2 193 193 A Q H ><5S+ 0 0 70 -4,-2.1 3,-1.4 3,-0.2 -2,-0.2 0.961 115.5 48.5 -66.3 -56.8 14.9 -18.6 -5.3 194 194 A A H 3<5S+ 0 0 18 -4,-2.9 -2,-0.2 1,-0.3 -3,-0.2 0.881 118.1 39.6 -57.9 -44.8 15.9 -15.0 -4.6 195 195 A Q T 3<5S- 0 0 42 -4,-2.7 -1,-0.3 -5,-0.1 -2,-0.2 0.443 107.3-125.9 -81.8 -3.7 12.4 -14.1 -3.2 196 196 A K T X 5 + 0 0 100 -3,-1.4 3,-2.1 -4,-0.2 4,-0.3 0.784 56.1 152.3 59.6 33.0 12.1 -17.5 -1.4 197 197 A F G > < + 0 0 0 -5,-1.3 3,-1.6 -6,-0.4 4,-0.3 0.779 62.6 73.6 -61.9 -22.4 8.8 -18.1 -3.2 198 198 A Y G 3 S+ 0 0 24 -6,-1.0 3,-0.4 1,-0.3 -1,-0.3 0.705 86.4 64.0 -62.0 -21.0 9.7 -21.8 -2.8 199 199 A E G < S+ 0 0 104 -3,-2.1 -1,-0.3 1,-0.2 -2,-0.2 0.713 115.0 29.7 -69.8 -21.0 8.9 -21.4 1.0 200 200 A V S < S+ 0 0 27 -3,-1.6 2,-0.4 -4,-0.3 -2,-0.2 0.136 111.7 69.0-131.6 15.4 5.3 -20.6 0.1 201 201 A Q - 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