==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-JAN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSPORT PROTEIN 05-NOV-09 2WX9 . COMPND 2 MOLECULE: SIALIC ACID-BINDING PERIPLASMIC PROTEIN SIAP; . SOURCE 2 ORGANISM_SCIENTIFIC: HAEMOPHILUS INFLUENZAE; . AUTHOR M.FISCHER,R.E.HUBBARD . 308 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13591.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 239 77.6 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 . 14 4.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 42 13.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 117 38.0 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 51 0, 0.0 3,-0.3 0, 0.0 34,-0.1 0.000 360.0 360.0 360.0 167.6 32.7 11.0 -4.4 2 2 A D + 0 0 114 32,-0.4 2,-0.5 1,-0.3 34,-0.2 0.900 360.0 30.7 -60.7 -39.7 32.8 13.5 -7.2 3 3 A Y E S-a 36 0A 51 32,-2.4 34,-2.4 2,-0.0 2,-1.1 -0.903 72.9-170.4-123.7 102.4 29.8 11.6 -8.7 4 4 A D E -a 37 0A 101 -2,-0.5 2,-0.2 -3,-0.3 34,-0.2 -0.789 24.7-178.9 -92.3 92.0 27.6 10.1 -6.0 5 5 A L E -a 38 0A 5 32,-2.8 34,-2.8 -2,-1.1 2,-0.4 -0.595 17.1-144.7-103.5 161.3 25.3 8.0 -8.3 6 6 A K E -a 39 0A 80 32,-0.2 57,-2.1 -2,-0.2 56,-0.9 -0.979 5.7-161.0-131.9 136.7 22.4 5.7 -7.5 7 7 A F E -ab 40 63A 1 32,-2.6 34,-2.7 -2,-0.4 2,-0.3 -0.973 16.1-156.2-120.0 111.1 21.2 2.4 -9.0 8 8 A G E -ab 41 64A 0 55,-2.5 57,-0.6 -2,-0.5 2,-0.4 -0.711 12.5-172.6 -91.2 140.9 17.6 1.6 -8.2 9 9 A M - 0 0 1 32,-2.6 35,-2.4 -2,-0.3 36,-0.4 -0.996 32.0-160.4-138.9 140.9 16.3 -2.0 -8.3 10 10 A N S S+ 0 0 39 -2,-0.4 -1,-0.1 33,-0.2 37,-0.0 0.820 79.8 82.3 -78.2 -39.5 13.0 -3.9 -8.0 11 11 A N S S- 0 0 8 32,-0.1 32,-2.9 1,-0.1 33,-0.4 -0.261 81.8-118.2 -58.9 158.1 14.9 -7.1 -7.2 12 12 A G > - 0 0 9 30,-0.2 3,-0.8 31,-0.2 6,-0.3 -0.137 31.1 -90.9 -89.0-172.7 16.1 -7.8 -3.7 13 13 A T T 3 S+ 0 0 80 1,-0.2 -2,-0.0 5,-0.1 -1,-0.0 0.580 117.0 59.9 -81.5 -12.5 19.5 -8.3 -2.3 14 14 A S T 3 S+ 0 0 65 180,-0.2 -1,-0.2 4,-0.1 2,-0.2 0.109 89.4 102.7-101.2 22.1 19.6 -12.1 -2.7 15 15 A S S <> S- 0 0 3 -3,-0.8 4,-2.0 1,-0.1 5,-0.1 -0.654 79.5-119.7-107.1 163.8 19.2 -12.0 -6.5 16 16 A N H > S+ 0 0 19 1,-0.2 4,-2.6 -2,-0.2 5,-0.2 0.891 114.4 58.1 -60.4 -41.1 21.4 -12.3 -9.6 17 17 A E H > S+ 0 0 23 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.894 107.2 47.6 -56.7 -44.8 20.5 -8.8 -10.6 18 18 A Y H > S+ 0 0 42 -6,-0.3 4,-2.6 2,-0.2 -1,-0.2 0.921 110.4 50.9 -65.7 -44.5 21.9 -7.5 -7.3 19 19 A K H X S+ 0 0 79 -4,-2.0 4,-1.9 2,-0.2 -2,-0.2 0.898 112.6 46.5 -58.0 -43.5 25.1 -9.5 -7.6 20 20 A A H X S+ 0 0 0 -4,-2.6 4,-2.7 2,-0.2 -2,-0.2 0.910 110.6 52.5 -68.6 -39.3 25.6 -8.1 -11.1 21 21 A A H X S+ 0 0 0 -4,-2.5 4,-2.7 -5,-0.2 -2,-0.2 0.898 108.4 52.3 -62.1 -36.7 24.8 -4.6 -10.0 22 22 A E H X S+ 0 0 94 -4,-2.6 4,-2.3 2,-0.2 -1,-0.2 0.910 109.0 49.3 -64.0 -41.6 27.4 -5.0 -7.2 23 23 A M H X S+ 0 0 65 -4,-1.9 4,-2.6 2,-0.2 5,-0.2 0.950 111.5 49.2 -60.6 -49.0 30.0 -6.1 -9.8 24 24 A F H X S+ 0 0 1 -4,-2.7 4,-2.7 1,-0.2 -2,-0.2 0.928 112.1 48.2 -55.0 -52.2 29.1 -3.1 -12.0 25 25 A A H X S+ 0 0 14 -4,-2.7 4,-2.3 1,-0.2 13,-0.3 0.885 112.0 49.1 -58.5 -41.8 29.4 -0.7 -9.0 26 26 A K H X S+ 0 0 125 -4,-2.3 4,-2.3 2,-0.2 -1,-0.2 0.913 112.9 46.8 -67.8 -42.4 32.8 -2.1 -7.9 27 27 A E H X S+ 0 0 23 -4,-2.6 4,-3.1 2,-0.2 5,-0.3 0.926 112.0 50.2 -66.3 -44.0 34.3 -1.9 -11.4 28 28 A V H X S+ 0 0 0 -4,-2.7 4,-2.0 -5,-0.2 8,-0.3 0.944 111.8 48.3 -60.7 -45.6 33.1 1.6 -11.9 29 29 A K H <>S+ 0 0 102 -4,-2.3 5,-2.8 -5,-0.2 6,-0.2 0.933 117.0 42.7 -59.9 -44.5 34.5 2.8 -8.6 30 30 A E H ><5S+ 0 0 111 -4,-2.3 3,-1.6 1,-0.2 -2,-0.2 0.952 117.2 42.9 -68.2 -51.2 37.9 1.1 -9.3 31 31 A K H 3<5S+ 0 0 122 -4,-3.1 -1,-0.2 1,-0.3 -2,-0.2 0.699 111.3 55.3 -77.4 -18.1 38.3 2.1 -13.0 32 32 A S T ><5S- 0 0 0 -4,-2.0 3,-1.8 -5,-0.3 -1,-0.3 0.289 112.8-119.4 -86.1 4.3 37.1 5.7 -12.4 33 33 A Q T < 5S- 0 0 159 -3,-1.6 -3,-0.2 1,-0.3 -2,-0.1 0.854 71.6 -54.9 57.2 38.1 39.8 6.0 -9.7 34 34 A G T 3 + 0 0 10 0, 0.0 3,-1.5 0, 0.0 -30,-0.2 -0.051 44.3 53.7 -82.8-177.1 17.1 -2.6 -4.0 43 43 A S T 3 S- 0 0 66 -32,-2.9 -33,-0.2 1,-0.3 -31,-0.2 0.772 119.2 -75.7 66.4 29.4 13.7 -4.0 -3.0 44 44 A S T > S+ 0 0 28 -35,-2.4 3,-1.7 -33,-0.4 -1,-0.3 0.738 83.7 148.8 54.7 30.6 11.7 -1.3 -4.8 45 45 A Q T < S+ 0 0 118 -3,-1.5 -1,-0.1 -36,-0.4 -2,-0.1 0.810 77.8 42.7 -62.8 -26.6 12.4 1.2 -2.1 46 46 A L T 3 S- 0 0 57 1,-0.5 -1,-0.3 -5,-0.4 2,-0.2 0.365 130.3 -88.6 -94.7 5.4 12.3 3.9 -4.9 47 47 A G < - 0 0 25 -3,-1.7 -1,-0.5 -38,-0.1 -38,-0.0 -0.660 59.6 -51.3 111.7-176.8 9.2 2.4 -6.5 48 48 A D > - 0 0 26 -2,-0.2 4,-2.7 -3,-0.1 5,-0.2 -0.073 66.1 -83.2 -86.4-174.1 8.8 -0.3 -9.2 49 49 A D H > S+ 0 0 25 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.874 129.2 53.9 -61.1 -38.8 10.4 -0.4 -12.6 50 50 A R H > S+ 0 0 90 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.924 112.8 45.1 -60.9 -45.5 7.9 1.9 -14.2 51 51 A A H > S+ 0 0 26 1,-0.2 4,-1.8 2,-0.2 -2,-0.2 0.909 112.4 49.8 -63.1 -45.7 8.6 4.5 -11.4 52 52 A M H X S+ 0 0 1 -4,-2.7 4,-2.0 1,-0.2 -2,-0.2 0.857 105.7 56.2 -68.4 -32.0 12.3 4.1 -11.6 53 53 A L H X S+ 0 0 14 -4,-2.5 4,-2.2 1,-0.2 -1,-0.2 0.900 106.9 51.3 -62.2 -39.3 12.3 4.6 -15.4 54 54 A K H X S+ 0 0 143 -4,-1.5 4,-2.2 1,-0.2 -2,-0.2 0.884 107.3 53.9 -63.0 -38.5 10.4 7.9 -14.8 55 55 A Q H X>S+ 0 0 41 -4,-1.8 6,-1.5 2,-0.2 5,-1.4 0.840 107.9 49.0 -67.7 -35.1 13.2 8.8 -12.3 56 56 A L H ><5S+ 0 0 0 -4,-2.0 3,-0.8 4,-0.2 165,-0.5 0.924 109.4 53.8 -66.8 -38.7 15.9 8.2 -14.9 57 57 A K H 3<5S+ 0 0 120 -4,-2.2 -2,-0.2 1,-0.3 -1,-0.2 0.937 113.9 39.7 -59.6 -46.4 13.9 10.3 -17.3 58 58 A D H 3<5S- 0 0 102 -4,-2.2 -1,-0.3 -5,-0.1 -2,-0.2 0.474 114.3-116.8 -86.5 1.3 13.8 13.3 -15.0 59 59 A G T <<5S+ 0 0 20 -3,-0.8 -3,-0.2 -4,-0.5 -4,-0.1 0.510 83.6 114.5 82.6 7.8 17.4 12.7 -13.8 60 60 A S S > - 0 0 38 -2,-0.3 3,-0.9 147,-0.2 4,-0.5 -0.690 26.2-121.1 -86.7 152.9 13.3 -5.4 -20.0 68 68 A S G >4 S+ 0 0 0 -2,-0.3 3,-1.5 1,-0.2 4,-0.1 0.918 114.9 58.2 -55.2 -41.9 12.9 -4.7 -23.6 69 69 A A G >4 S+ 0 0 4 1,-0.3 3,-2.0 12,-0.2 -1,-0.2 0.756 89.4 71.5 -61.9 -26.6 9.3 -5.8 -23.3 70 70 A R G X4 S+ 0 0 16 -3,-0.9 3,-1.8 1,-0.3 -1,-0.3 0.767 81.7 73.4 -66.0 -21.2 8.6 -3.1 -20.7 71 71 A F G XX + 0 0 1 -3,-1.5 4,-2.4 -4,-0.5 3,-2.1 0.572 68.3 90.6 -72.2 -1.0 8.8 -0.5 -23.4 72 72 A Q G <4 S+ 0 0 26 -3,-2.0 -1,-0.3 6,-0.3 7,-0.2 0.755 72.8 73.5 -60.9 -19.1 5.4 -1.7 -24.6 73 73 A L G <4 S+ 0 0 85 -3,-1.8 -1,-0.3 1,-0.2 -2,-0.2 0.756 113.5 21.6 -62.7 -24.9 4.1 1.0 -22.2 74 74 A F T <4 S+ 0 0 96 -3,-2.1 -2,-0.2 1,-0.3 -1,-0.2 0.711 134.8 33.0-112.9 -31.9 5.3 3.5 -24.7 75 75 A Y S >< S- 0 0 21 -4,-2.4 3,-2.5 1,-0.1 -1,-0.3 -0.927 70.3-157.2-132.9 98.9 5.5 1.7 -28.0 76 76 A P G > S+ 0 0 73 0, 0.0 3,-1.8 0, 0.0 4,-0.1 0.790 88.8 63.8 -57.3 -33.1 2.8 -0.9 -28.2 77 77 A E G > S+ 0 0 14 1,-0.3 3,-2.0 2,-0.2 -5,-0.1 0.716 84.4 76.3 -61.4 -21.1 4.5 -3.0 -30.8 78 78 A A G X S+ 0 0 0 -3,-2.5 3,-1.7 1,-0.3 -6,-0.3 0.623 70.5 86.1 -70.9 -6.6 7.4 -3.7 -28.3 79 79 A A G X> + 0 0 6 -3,-1.8 3,-2.5 1,-0.3 4,-0.7 0.731 66.9 85.8 -60.3 -19.5 5.0 -6.2 -26.6 80 80 A V G X4 S+ 0 0 0 -3,-2.0 3,-0.7 1,-0.3 7,-0.3 0.830 77.2 64.6 -49.8 -34.0 6.5 -8.5 -29.2 81 81 A F G <4 S+ 0 0 10 -3,-1.7 130,-0.4 1,-0.2 -1,-0.3 0.655 114.0 30.0 -66.2 -20.5 9.4 -9.2 -26.8 82 82 A A G <4 S+ 0 0 3 -3,-2.5 -1,-0.2 -4,-0.2 -2,-0.2 0.233 77.2 127.9-127.7 13.0 6.9 -10.8 -24.2 83 83 A L S XX S- 0 0 3 -3,-0.7 3,-2.2 -4,-0.7 4,-0.6 -0.608 79.0 -98.7 -61.5 120.5 4.2 -12.3 -26.4 84 84 A P T 34 S+ 0 0 0 0, 0.0 126,-0.2 0, 0.0 125,-0.1 -0.233 98.3 0.5 -56.7 134.0 4.3 -15.8 -24.9 85 85 A Y T 34 S+ 0 0 37 124,-1.6 125,-0.1 2,-0.2 124,-0.1 0.398 102.5 103.9 74.2 3.5 6.3 -18.3 -27.0 86 86 A V T <4 S+ 0 0 16 -3,-2.2 2,-0.5 123,-0.2 -5,-0.1 0.973 71.9 55.9 -77.6 -57.1 7.3 -15.8 -29.7 87 87 A I S < S- 0 0 15 -4,-0.6 -2,-0.2 -7,-0.3 -1,-0.1 -0.651 75.0-162.4 -75.6 120.6 10.9 -15.2 -28.7 88 88 A S - 0 0 85 -2,-0.5 2,-0.3 1,-0.2 -1,-0.2 0.861 57.1 -21.8 -75.2 -41.1 12.4 -18.6 -28.7 89 89 A N S > S- 0 0 46 122,-0.1 4,-2.0 1,-0.1 3,-0.3 -0.921 72.8 -82.6-161.0 175.3 15.6 -18.1 -26.7 90 90 A Y H > S+ 0 0 29 -2,-0.3 4,-2.6 1,-0.2 5,-0.2 0.872 121.6 63.1 -64.4 -35.9 18.1 -15.5 -25.4 91 91 A N H > S+ 0 0 50 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.919 107.3 43.7 -53.7 -45.1 20.0 -15.7 -28.8 92 92 A V H > S+ 0 0 3 -3,-0.3 4,-2.8 1,-0.2 -1,-0.2 0.911 109.8 56.8 -66.9 -42.6 16.8 -14.4 -30.5 93 93 A A H X S+ 0 0 4 -4,-2.0 4,-1.6 2,-0.2 -2,-0.2 0.872 108.2 47.7 -53.8 -42.0 16.3 -11.7 -27.7 94 94 A Q H X S+ 0 0 75 -4,-2.6 4,-2.5 2,-0.2 5,-0.3 0.952 115.5 42.6 -66.1 -46.8 19.8 -10.3 -28.4 95 95 A K H X S+ 0 0 80 -4,-1.8 4,-2.2 -5,-0.2 -2,-0.2 0.838 110.1 58.4 -70.9 -33.5 19.4 -10.2 -32.2 96 96 A A H < S+ 0 0 0 -4,-2.8 7,-0.5 -5,-0.2 4,-0.3 0.919 114.4 37.5 -61.2 -41.5 15.8 -8.8 -31.9 97 97 A L H < S+ 0 0 0 -4,-1.6 10,-0.3 -5,-0.2 -2,-0.2 0.939 132.4 22.3 -75.9 -48.0 17.1 -5.8 -29.9 98 98 A F H < S+ 0 0 78 -4,-2.5 -3,-0.2 -5,-0.2 -2,-0.2 0.667 125.1 43.5 -95.9 -22.3 20.4 -5.1 -31.6 99 99 A D S < S+ 0 0 108 -4,-2.2 2,-0.3 -5,-0.3 -3,-0.2 0.047 95.3 76.0-123.9 19.9 20.1 -6.6 -35.1 100 100 A T S > S- 0 0 10 -4,-0.3 4,-2.6 -3,-0.2 5,-0.2 -0.933 77.9-125.1-121.8 156.0 16.6 -5.7 -36.4 101 101 A E H > S+ 0 0 134 -2,-0.3 4,-2.3 1,-0.2 5,-0.2 0.921 114.2 54.9 -62.2 -40.8 15.4 -2.4 -37.7 102 102 A F H > S+ 0 0 20 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.925 111.1 42.0 -54.4 -52.7 12.7 -2.6 -35.1 103 103 A G H > S+ 0 0 0 -7,-0.5 4,-2.4 2,-0.2 -1,-0.2 0.917 112.7 52.4 -65.7 -43.8 15.1 -3.0 -32.2 104 104 A K H X S+ 0 0 94 -4,-2.6 4,-1.7 1,-0.2 -1,-0.2 0.886 112.6 47.5 -59.8 -36.2 17.6 -0.4 -33.5 105 105 A D H X S+ 0 0 73 -4,-2.3 4,-2.4 -5,-0.2 -1,-0.2 0.892 108.0 54.7 -72.3 -40.9 14.7 2.1 -33.7 106 106 A L H X S+ 0 0 3 -4,-2.2 4,-2.5 1,-0.2 -2,-0.2 0.928 107.4 50.4 -56.2 -48.2 13.5 1.2 -30.2 107 107 A I H X S+ 0 0 39 -4,-2.4 4,-1.5 -10,-0.3 -1,-0.2 0.913 110.5 49.6 -60.5 -44.0 16.9 1.9 -28.7 108 108 A K H X S+ 0 0 129 -4,-1.7 4,-2.7 1,-0.2 -1,-0.2 0.902 110.9 50.0 -61.3 -38.8 17.0 5.3 -30.5 109 109 A K H X>S+ 0 0 27 -4,-2.4 4,-3.1 2,-0.2 5,-1.0 0.879 104.3 57.4 -67.8 -39.0 13.5 6.1 -29.2 110 110 A M H X5S+ 0 0 0 -4,-2.5 6,-1.8 3,-0.2 4,-0.8 0.910 113.1 42.0 -56.3 -40.6 14.4 5.2 -25.6 111 111 A D H X5S+ 0 0 79 -4,-1.5 4,-1.1 4,-0.2 -2,-0.2 0.976 122.2 37.9 -67.8 -57.6 17.2 7.8 -25.8 112 112 A K H <5S+ 0 0 151 -4,-2.7 -2,-0.2 1,-0.2 -3,-0.2 0.880 131.9 22.6 -65.3 -43.8 15.1 10.6 -27.7 113 113 A D H <5S+ 0 0 57 -4,-3.1 -3,-0.2 -5,-0.2 -1,-0.2 0.782 129.6 36.3 -97.0 -33.8 11.8 10.1 -26.0 114 114 A L H < S- 0 0 47 133,-0.2 3,-1.6 -3,-0.2 4,-0.4 -0.958 85.8 -82.6-159.8 174.4 -1.6 -29.9 -18.1 138 138 A I G > S+ 0 0 42 133,-0.3 3,-1.6 -2,-0.3 4,-0.4 0.806 119.0 70.7 -58.0 -26.8 -3.3 -26.8 -19.4 139 139 A A G > S+ 0 0 67 1,-0.3 3,-1.5 2,-0.2 -1,-0.3 0.857 89.1 61.2 -57.6 -33.8 -6.5 -27.9 -17.7 140 140 A D G < S+ 0 0 46 -3,-1.6 -1,-0.3 1,-0.3 -2,-0.2 0.668 93.9 64.5 -71.1 -14.5 -5.0 -27.2 -14.3 141 141 A M G X S+ 0 0 0 -3,-1.6 3,-2.1 -4,-0.4 -1,-0.3 0.655 73.7 114.5 -73.4 -20.4 -4.6 -23.6 -15.3 142 142 A K T < S- 0 0 157 -3,-1.5 21,-0.3 -4,-0.4 3,-0.1 -0.389 97.0 -9.6 -66.4 120.6 -8.4 -23.1 -15.5 143 143 A G T 3 S+ 0 0 29 19,-2.5 -1,-0.3 1,-0.2 20,-0.2 0.501 90.7 154.5 71.7 2.9 -9.5 -20.8 -12.9 144 144 A L < - 0 0 0 -3,-2.1 20,-3.0 18,-0.1 2,-1.3 -0.487 50.3-125.3 -61.8 129.8 -6.0 -20.8 -11.2 145 145 A K E -g 164 0B 103 18,-0.2 38,-2.3 -2,-0.2 39,-1.5 -0.685 39.4-173.7 -81.3 95.2 -5.7 -17.5 -9.3 146 146 A L E -gh 165 184B 0 18,-1.6 20,-1.9 -2,-1.3 39,-0.2 -0.846 18.1-141.8-103.1 111.4 -2.5 -16.5 -11.0 147 147 A R E -g 166 0B 4 37,-2.7 39,-0.3 -2,-0.7 35,-0.0 -0.497 25.5-179.4 -64.4 139.9 -0.6 -13.4 -9.8 148 148 A V E -g 167 0B 0 18,-1.9 20,-2.0 -2,-0.2 7,-0.0 -0.955 30.3-104.7-131.1 157.1 0.9 -11.4 -12.6 149 149 A P - 0 0 20 0, 0.0 2,-2.1 0, 0.0 20,-0.2 -0.242 52.7 -88.1 -64.1 168.8 3.0 -8.2 -12.7 150 150 A N S S+ 0 0 52 18,-0.1 2,-0.3 17,-0.1 19,-0.0 -0.530 92.0 117.3 -78.5 70.1 1.2 -5.0 -13.8 151 151 A A > - 0 0 10 -2,-2.1 4,-2.2 1,-0.1 3,-0.3 -0.989 66.1-136.0-145.5 134.6 2.1 -5.8 -17.5 152 152 A A H > S+ 0 0 60 -2,-0.3 4,-2.3 1,-0.2 5,-0.1 0.842 102.7 54.6 -64.6 -37.2 -0.3 -6.5 -20.4 153 153 A T H > S+ 0 0 1 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.890 110.6 44.9 -66.5 -38.9 1.7 -9.4 -21.8 154 154 A N H > S+ 0 0 6 -3,-0.3 4,-2.1 2,-0.2 -2,-0.2 0.895 111.8 53.0 -71.1 -39.0 1.7 -11.3 -18.5 155 155 A L H X S+ 0 0 58 -4,-2.2 4,-2.7 1,-0.2 -2,-0.2 0.908 110.7 48.3 -56.7 -43.3 -2.0 -10.6 -18.0 156 156 A A H X S+ 0 0 10 -4,-2.3 4,-3.0 2,-0.2 5,-0.3 0.889 105.5 56.6 -67.6 -40.7 -2.6 -12.0 -21.4 157 157 A Y H X S+ 0 0 0 -4,-2.2 4,-1.7 1,-0.2 6,-0.2 0.966 112.1 43.6 -51.6 -51.3 -0.6 -15.1 -20.7 158 158 A A H X>S+ 0 0 0 -4,-2.1 5,-2.2 1,-0.2 4,-0.6 0.943 116.1 47.9 -59.4 -50.4 -2.9 -15.8 -17.7 159 159 A K H ><5S+ 0 0 135 -4,-2.7 3,-1.3 1,-0.2 -2,-0.2 0.949 112.0 46.5 -56.4 -50.8 -6.0 -14.9 -19.6 160 160 A Y H 3<5S+ 0 0 61 -4,-3.0 -1,-0.2 1,-0.3 -2,-0.2 0.779 108.9 52.7 -73.7 -25.7 -5.4 -17.0 -22.6 161 161 A V H 3<5S- 0 0 7 -4,-1.7 -1,-0.3 -5,-0.3 -2,-0.2 0.536 123.0-102.8 -83.0 -3.9 -4.3 -20.2 -20.8 162 162 A G T <<5S+ 0 0 17 -3,-1.3 -19,-2.5 -4,-0.6 -3,-0.2 0.478 76.2 133.3 101.3 1.9 -7.5 -20.0 -18.8 163 163 A A < - 0 0 9 -5,-2.2 -1,-0.3 -21,-0.3 -18,-0.2 -0.280 58.4-119.7 -82.2 171.5 -6.3 -18.6 -15.5 164 164 A S E -g 145 0B 59 -20,-3.0 -18,-1.6 -23,-0.2 2,-0.1 -0.916 35.6-146.7-113.5 103.0 -7.8 -15.8 -13.4 165 165 A P E -g 146 0B 47 0, 0.0 -18,-0.2 0, 0.0 -20,-0.1 -0.406 18.1-170.3 -79.8 149.8 -5.1 -13.1 -13.1 166 166 A T E -g 147 0B 59 -20,-1.9 -18,-1.9 -2,-0.1 2,-0.3 -0.942 18.5-147.4-128.1 111.2 -4.5 -10.8 -10.2 167 167 A P E +g 148 0B 58 0, 0.0 2,-0.3 0, 0.0 -17,-0.1 -0.585 32.0 145.6 -77.2 140.2 -2.0 -8.0 -10.9 168 168 A M - 0 0 32 -20,-2.0 -18,-0.1 -2,-0.3 -2,-0.1 -0.964 49.1 -85.6-164.0 158.8 0.3 -6.7 -8.2 169 169 A A > - 0 0 33 -2,-0.3 3,-1.7 -20,-0.2 4,-0.5 -0.256 42.1-109.9 -63.8 153.3 3.8 -5.4 -7.7 170 170 A F G > S+ 0 0 32 1,-0.3 3,-1.4 2,-0.2 4,-0.5 0.856 115.3 61.7 -53.0 -38.8 6.7 -7.8 -7.1 171 171 A S G 3 S+ 0 0 59 1,-0.2 4,-0.3 2,-0.1 -1,-0.3 0.703 102.7 50.9 -63.9 -20.7 7.1 -6.8 -3.5 172 172 A E G <> S+ 0 0 108 -3,-1.7 4,-1.7 1,-0.2 -1,-0.2 0.492 86.9 86.8 -93.6 -7.5 3.5 -8.0 -2.7 173 173 A V H <> S+ 0 0 0 -3,-1.4 4,-2.4 -4,-0.5 5,-0.2 0.908 79.6 56.3 -68.7 -44.4 3.8 -11.4 -4.1 174 174 A Y H > S+ 0 0 64 -4,-0.5 4,-2.7 1,-0.2 -1,-0.2 0.925 110.8 44.9 -57.4 -45.9 5.2 -13.4 -1.2 175 175 A L H > S+ 0 0 106 -4,-0.3 4,-2.3 1,-0.2 6,-0.3 0.891 110.5 54.6 -65.9 -40.8 2.4 -12.4 1.1 176 176 A A H <>S+ 0 0 9 -4,-1.7 6,-1.5 1,-0.2 5,-1.3 0.889 114.1 41.6 -57.5 -41.5 -0.2 -13.1 -1.5 177 177 A L H ><5S+ 0 0 1 -4,-2.4 3,-1.0 2,-0.2 -2,-0.2 0.921 113.1 52.6 -69.8 -46.7 1.2 -16.6 -1.9 178 178 A Q H 3<5S+ 0 0 102 -4,-2.7 -2,-0.2 1,-0.3 -1,-0.2 0.847 114.7 41.3 -57.5 -42.6 1.7 -17.3 1.7 179 179 A T T 3<5S- 0 0 83 -4,-2.3 -1,-0.3 -5,-0.2 -2,-0.2 0.477 108.4-123.4 -85.8 -3.1 -1.9 -16.3 2.6 180 180 A N T < 5 + 0 0 92 -3,-1.0 -3,-0.2 -4,-0.4 -4,-0.1 0.671 68.7 137.8 55.5 30.8 -3.3 -18.1 -0.5 181 181 A A S > -E 127 0B 2 0, 0.0 4,-1.9 0, 0.0 3,-1.0 -0.287 50.7-105.0 -62.8 158.8 12.1 -17.3 -13.8 189 189 A L H 3> S+ 0 0 3 -63,-0.6 4,-2.2 1,-0.3 5,-0.2 0.856 119.4 59.3 -50.9 -43.6 13.6 -19.9 -11.5 190 190 A A H 3> S+ 0 0 9 1,-0.2 4,-2.9 2,-0.2 -1,-0.3 0.813 105.8 47.6 -61.2 -35.8 16.2 -17.5 -10.2 191 191 A A H <> S+ 0 0 11 -3,-1.0 4,-2.7 2,-0.2 6,-0.4 0.849 106.6 56.7 -73.1 -37.2 13.4 -15.2 -8.9 192 192 A V H <>S+ 0 0 3 -4,-1.9 5,-1.5 2,-0.2 6,-0.9 0.931 115.0 40.9 -55.9 -41.4 11.5 -18.1 -7.3 193 193 A Q H ><5S+ 0 0 68 -4,-2.2 3,-1.5 3,-0.2 -2,-0.2 0.970 114.6 49.8 -67.8 -52.7 14.8 -18.7 -5.4 194 194 A A H 3<5S+ 0 0 15 -4,-2.9 -180,-0.2 1,-0.3 -2,-0.2 0.869 118.6 37.8 -59.1 -42.6 15.7 -15.0 -4.7 195 195 A Q T 3<5S- 0 0 45 -4,-2.7 -1,-0.3 -5,-0.1 -2,-0.2 0.413 107.2-125.7 -87.0 -3.5 12.2 -14.2 -3.3 196 196 A K T X 5 + 0 0 75 -3,-1.5 3,-2.0 -4,-0.3 4,-0.3 0.803 55.2 153.3 57.4 35.5 11.9 -17.6 -1.6 197 197 A F G > < + 0 0 0 -5,-1.5 3,-1.7 -6,-0.4 4,-0.3 0.774 62.5 74.3 -60.6 -26.1 8.6 -18.3 -3.3 198 198 A Y G 3 S+ 0 0 29 -6,-0.9 3,-0.3 1,-0.3 -1,-0.3 0.701 86.3 63.6 -59.4 -19.9 9.5 -22.0 -2.9 199 199 A E G < S+ 0 0 110 -3,-2.0 -1,-0.3 1,-0.2 -2,-0.2 0.737 115.2 30.0 -70.9 -23.0 8.6 -21.6 0.9 200 200 A V S < S+ 0 0 26 -3,-1.7 2,-0.4 -4,-0.3 -2,-0.2 0.123 112.7 66.7-127.3 13.8 5.1 -20.8 -0.1 201 201 A Q - 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