==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-JUN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER SIGNALING PROTEIN 14-JUN-11 3SG0 . COMPND 2 MOLECULE: EXTRACELLULAR LIGAND-BINDING RECEPTOR; . SOURCE 2 ORGANISM_SCIENTIFIC: RHODOPSEUDOMONAS PALUSTRIS; . AUTHOR K.TAN,J.C.MACK,S.ZERBS,F.COLLART,A.JOACHIMIAK,MIDWEST CENTER . 361 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14054.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 264 73.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 38 10.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 17 4.7 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 . 4 1.1 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 . 15 4.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 55 15.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 120 33.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 1.7 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 0 1 0 2 1 1 0 2 1 0 1 1 0 0 0 0 0 1 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 2 4 0 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 PARALLEL BRIDGES PER LADDER . 0 1 1 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 ANTIPARALLEL BRIDGES PER LADDER . 2 0 0 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 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 22 A Q 0 0 143 0, 0.0 307,-0.1 0, 0.0 2,-0.0 0.000 360.0 360.0 360.0 144.3 20.7 -47.2 -16.8 2 23 A A - 0 0 42 305,-0.3 2,-0.1 1,-0.1 3,-0.1 -0.333 360.0-135.5 -62.9 141.2 20.0 -43.8 -15.1 3 24 A E - 0 0 43 1,-0.1 2,-0.3 303,-0.1 36,-0.2 -0.246 46.2 -70.3 -78.0-179.9 19.1 -40.9 -17.4 4 25 A I E -a 39 0A 0 34,-2.5 36,-2.6 30,-0.1 2,-0.4 -0.610 55.4-160.4 -75.1 135.0 20.7 -37.5 -16.8 5 26 A K E -a 40 0A 42 -2,-0.3 62,-2.5 34,-0.2 63,-1.1 -0.976 10.2-170.2-125.8 130.1 19.3 -35.9 -13.6 6 27 A I E -ab 41 68A 0 34,-2.6 36,-2.6 -2,-0.4 2,-0.4 -0.979 8.1-156.5-121.4 123.3 19.5 -32.3 -12.6 7 28 A G E -ab 42 69A 0 61,-2.7 63,-2.4 -2,-0.5 2,-0.4 -0.836 10.7-171.9 -99.9 140.4 18.6 -31.1 -9.1 8 29 A I E -ab 43 70A 0 34,-2.9 36,-2.5 -2,-0.4 2,-0.4 -0.997 11.5-174.5-134.1 130.4 17.4 -27.5 -8.5 9 30 A T E +a 44 0A 0 61,-2.6 63,-0.5 -2,-0.4 2,-0.3 -0.996 19.5 167.8-119.7 130.6 16.8 -25.6 -5.3 10 31 A X E -a 45 0A 2 34,-2.2 36,-2.7 -2,-0.4 2,-1.7 -0.966 45.2-110.6-142.2 157.3 15.4 -22.2 -5.5 11 32 A S + 0 0 0 -2,-0.3 9,-1.0 34,-0.2 10,-0.4 -0.558 49.3 155.3 -89.6 72.0 13.8 -19.5 -3.3 12 33 A A + 0 0 7 -2,-1.7 2,-0.3 8,-0.3 -1,-0.2 0.637 68.6 28.1 -77.3 -14.6 10.3 -19.8 -4.7 13 34 A S S S+ 0 0 42 -3,-0.2 3,-0.5 7,-0.1 33,-0.1 -0.861 98.2 48.8-136.3 172.2 8.8 -18.5 -1.4 14 35 A G S > S- 0 0 44 -2,-0.3 3,-2.1 1,-0.2 34,-0.2 -0.366 115.1 -40.2 84.9-172.2 10.2 -16.2 1.3 15 36 A P T 3 S+ 0 0 34 0, 0.0 3,-0.3 0, 0.0 186,-0.2 0.626 137.3 61.5 -69.2 -9.5 11.8 -12.8 0.6 16 37 A G T >> S+ 0 0 0 -3,-0.5 3,-2.4 1,-0.2 4,-2.3 0.374 70.6 110.7 -88.3 4.8 13.6 -14.3 -2.4 17 38 A A H <> + 0 0 30 -3,-2.1 4,-2.6 1,-0.3 -1,-0.2 0.771 68.5 59.3 -56.5 -36.1 10.3 -15.2 -4.2 18 39 A A H 34 S+ 0 0 1 -3,-0.3 -1,-0.3 1,-0.2 265,-0.2 0.674 116.3 37.6 -68.3 -14.0 10.7 -12.6 -7.0 19 40 A L H <> S+ 0 0 12 -3,-2.4 4,-1.0 -8,-0.3 -2,-0.2 0.816 121.8 40.5 -95.6 -48.4 13.9 -14.4 -7.9 20 41 A G H X S+ 0 0 0 -4,-2.3 4,-2.7 -9,-1.0 -8,-0.3 0.806 105.9 61.2 -77.9 -30.2 12.9 -18.0 -7.2 21 42 A Q H X S+ 0 0 73 -4,-2.6 4,-2.2 -10,-0.4 5,-0.2 0.942 104.4 49.5 -62.8 -45.6 9.4 -18.1 -8.6 22 43 A P H > S+ 0 0 6 0, 0.0 4,-1.0 0, 0.0 -1,-0.2 0.886 111.9 50.7 -57.2 -37.6 10.6 -17.1 -12.1 23 44 A Q H >X S+ 0 0 0 -4,-1.0 4,-1.0 2,-0.2 3,-0.6 0.930 107.3 52.4 -65.4 -44.0 13.2 -19.9 -11.8 24 45 A S H >< S+ 0 0 49 -4,-2.7 3,-0.5 1,-0.2 4,-0.4 0.893 110.6 48.5 -57.7 -40.5 10.5 -22.4 -10.8 25 46 A K H 3< S+ 0 0 98 -4,-2.2 3,-0.3 1,-0.2 -1,-0.2 0.704 104.4 60.6 -75.0 -19.0 8.5 -21.5 -13.8 26 47 A T H XX S+ 0 0 0 -4,-1.0 3,-2.0 -3,-0.6 4,-0.5 0.742 83.5 80.2 -78.7 -23.2 11.5 -21.9 -16.1 27 48 A V G X< S+ 0 0 22 -4,-1.0 3,-1.8 -3,-0.5 -1,-0.2 0.891 87.8 55.5 -52.5 -44.1 11.9 -25.5 -15.2 28 49 A A G 34 S+ 0 0 68 -4,-0.4 -1,-0.3 -3,-0.3 -2,-0.1 0.645 104.2 55.9 -65.8 -15.3 9.2 -26.6 -17.7 29 50 A A G <4 S+ 0 0 16 -3,-2.0 -1,-0.3 -4,-0.2 -2,-0.2 0.507 84.5 108.1 -92.7 -7.1 11.0 -24.8 -20.5 30 51 A L S << S- 0 0 4 -3,-1.8 11,-0.1 -4,-0.5 2,-0.0 -0.362 83.8 -87.0 -77.1 152.8 14.3 -26.7 -20.0 31 52 A P - 0 0 33 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.323 29.0-160.1 -64.2 135.1 15.5 -29.3 -22.6 32 53 A K S S+ 0 0 96 1,-0.2 7,-2.3 -3,-0.1 2,-0.3 0.491 78.9 38.8 -94.5 -4.6 14.1 -32.8 -21.9 33 54 A E E +E 38 0B 132 5,-0.3 2,-0.4 7,-0.0 5,-0.2 -0.985 62.8 173.8-144.6 134.4 16.8 -34.5 -24.0 34 55 A I E > S-E 37 0B 7 3,-2.6 3,-2.1 -2,-0.3 -30,-0.1 -0.992 72.1 -4.3-141.4 131.9 20.5 -33.7 -24.3 35 56 A G T 3 S- 0 0 47 -2,-0.4 3,-0.1 1,-0.3 -1,-0.1 0.753 129.7 -57.3 60.6 24.4 23.2 -35.6 -26.2 36 57 A G T 3 S+ 0 0 56 1,-0.3 2,-0.4 0, 0.0 -1,-0.3 0.437 116.3 111.7 86.1 0.8 20.7 -38.3 -27.0 37 58 A E E < S-E 34 0B 72 -3,-2.1 -3,-2.6 -34,-0.0 -1,-0.3 -0.851 71.7-113.3-109.3 143.4 19.9 -38.9 -23.3 38 59 A K E -E 33 0B 120 -2,-0.4 -34,-2.5 -5,-0.2 2,-0.4 -0.430 29.2-151.0 -66.1 145.7 16.7 -38.1 -21.4 39 60 A V E -a 4 0A 5 -7,-2.3 2,-0.4 -36,-0.2 -34,-0.2 -0.990 8.6-166.4-123.4 129.4 17.0 -35.4 -18.8 40 61 A T E -a 5 0A 35 -36,-2.6 -34,-2.6 -2,-0.4 2,-0.4 -0.964 8.4-150.5-116.4 134.2 14.9 -35.3 -15.7 41 62 A Y E -a 6 0A 30 -2,-0.4 2,-0.5 -36,-0.2 -34,-0.2 -0.854 6.4-165.1-106.6 138.1 14.7 -32.2 -13.4 42 63 A F E -a 7 0A 49 -36,-2.6 -34,-2.9 -2,-0.4 2,-0.4 -0.932 15.5-173.1-123.3 102.5 14.0 -32.3 -9.7 43 64 A A E -a 8 0A 45 -2,-0.5 2,-0.4 -36,-0.2 -34,-0.2 -0.840 4.5-179.6-107.5 133.3 13.1 -28.9 -8.4 44 65 A L E -a 9 0A 45 -36,-2.5 -34,-2.2 -2,-0.4 2,-0.4 -0.982 26.0-126.3-132.9 140.8 12.6 -28.0 -4.7 45 66 A D E -a 10 0A 53 -2,-0.4 -34,-0.2 -36,-0.2 -36,-0.0 -0.712 15.5-171.4 -83.0 130.6 11.6 -24.7 -3.0 46 67 A D > - 0 0 0 -36,-2.7 3,-2.3 -2,-0.4 7,-0.3 0.370 33.6-130.7-102.6 3.1 14.1 -23.7 -0.2 47 68 A E T 3 - 0 0 100 -37,-0.5 -36,-0.2 1,-0.3 -30,-0.1 0.696 60.8 -70.6 64.0 20.7 11.9 -20.9 1.1 48 69 A S T 3 S+ 0 0 17 1,-0.2 -1,-0.3 -34,-0.2 -37,-0.1 0.749 105.2 131.5 64.2 25.2 14.8 -18.5 1.0 49 70 A D <> - 0 0 67 -3,-2.3 4,-2.4 1,-0.1 -1,-0.2 -0.929 54.9-152.0-118.1 121.1 16.2 -20.5 3.9 50 71 A P H > S+ 0 0 47 0, 0.0 4,-2.2 0, 0.0 5,-0.2 0.876 98.0 53.1 -58.7 -36.3 19.8 -21.7 4.0 51 72 A T H > S+ 0 0 87 1,-0.2 4,-2.1 2,-0.2 5,-0.1 0.928 111.3 45.5 -65.1 -44.1 19.0 -24.7 6.2 52 73 A K H > S+ 0 0 61 -6,-0.3 4,-2.8 2,-0.2 -1,-0.2 0.878 110.4 53.8 -67.1 -37.7 16.2 -25.8 3.9 53 74 A A H X S+ 0 0 0 -4,-2.4 4,-2.7 -7,-0.3 -1,-0.2 0.912 108.6 49.6 -62.0 -42.0 18.5 -25.4 0.8 54 75 A A H X S+ 0 0 11 -4,-2.2 4,-2.6 2,-0.2 -2,-0.2 0.909 111.5 49.0 -63.6 -41.3 21.1 -27.5 2.4 55 76 A Q H X S+ 0 0 111 -4,-2.1 4,-2.2 2,-0.2 -2,-0.2 0.927 111.6 49.5 -60.8 -46.0 18.5 -30.2 3.2 56 77 A N H X S+ 0 0 6 -4,-2.8 4,-2.7 2,-0.2 -2,-0.2 0.930 111.7 48.7 -56.8 -47.8 17.2 -30.0 -0.4 57 78 A A H X S+ 0 0 0 -4,-2.7 4,-2.8 1,-0.2 5,-0.3 0.924 110.4 49.8 -61.6 -45.7 20.8 -30.3 -1.8 58 79 A R H X S+ 0 0 149 -4,-2.6 4,-2.8 1,-0.2 5,-0.4 0.886 112.2 48.6 -63.7 -36.7 21.6 -33.3 0.4 59 80 A K H X>S+ 0 0 88 -4,-2.2 4,-2.2 2,-0.2 5,-1.4 0.940 113.9 45.7 -65.0 -47.6 18.3 -35.0 -0.7 60 81 A L H <5S+ 0 0 3 -4,-2.7 6,-1.9 3,-0.2 5,-0.4 0.881 120.7 39.6 -63.4 -38.7 19.0 -34.4 -4.3 61 82 A L H <5S+ 0 0 19 -4,-2.8 -2,-0.2 4,-0.2 -3,-0.2 0.935 125.5 32.5 -77.8 -47.6 22.7 -35.5 -4.0 62 83 A S H <5S+ 0 0 81 -4,-2.8 -3,-0.2 -5,-0.3 -2,-0.2 0.825 131.1 29.0 -85.3 -32.1 22.3 -38.5 -1.7 63 84 A E T <5S+ 0 0 131 -4,-2.2 -3,-0.2 -5,-0.4 -2,-0.1 0.896 132.8 27.4 -94.9 -50.9 18.9 -39.8 -2.8 64 85 A E S S- 0 0 6 22,-0.1 4,-1.9 1,-0.1 22,-0.2 -0.856 79.1-122.9-122.3 154.2 20.2 -15.9 -3.0 75 96 A T H > S+ 0 0 2 -2,-0.3 4,-2.2 1,-0.2 -1,-0.1 0.935 109.5 46.9 -63.5 -52.0 23.7 -15.5 -1.7 76 97 A P H 4 S+ 0 0 37 0, 0.0 -1,-0.2 0, 0.0 -27,-0.0 0.864 115.9 47.9 -60.0 -33.1 23.1 -16.5 2.0 77 98 A V H 4 S+ 0 0 1 1,-0.2 4,-0.3 2,-0.1 -2,-0.2 0.843 114.2 46.4 -74.6 -33.4 21.1 -19.5 0.8 78 99 A S H >X S+ 0 0 0 -4,-1.9 3,-1.4 1,-0.2 4,-0.7 0.778 92.3 78.6 -79.9 -31.1 23.7 -20.6 -1.7 79 100 A L H >X S+ 0 0 50 -4,-2.2 3,-1.3 1,-0.3 4,-0.5 0.885 92.4 48.9 -50.9 -48.2 26.8 -20.3 0.5 80 101 A P H 3> S+ 0 0 50 0, 0.0 4,-1.1 0, 0.0 -1,-0.3 0.715 100.5 68.4 -67.0 -17.7 26.4 -23.5 2.4 81 102 A L H <> S+ 0 0 0 -3,-1.4 4,-2.9 -4,-0.3 5,-0.3 0.734 84.3 71.2 -73.3 -22.3 25.9 -25.4 -0.8 82 103 A I H S+ 0 0 0 -4,-2.9 5,-2.2 2,-0.2 4,-0.3 0.925 114.0 50.5 -65.5 -42.7 28.5 -29.9 -3.6 86 107 A A H ><5S+ 0 0 6 -4,-2.4 3,-1.5 -5,-0.3 -2,-0.2 0.924 109.1 50.6 -62.0 -44.4 32.2 -30.2 -3.3 87 108 A E H 3<5S+ 0 0 149 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.873 112.9 47.5 -60.6 -36.1 32.0 -33.0 -0.8 88 109 A A T 3<5S- 0 0 20 -4,-1.7 -1,-0.3 -5,-0.2 -2,-0.2 0.376 108.3-126.9 -85.3 1.9 29.6 -34.8 -3.2 89 110 A K T < 5 + 0 0 104 -3,-1.5 -3,-0.2 -4,-0.3 -2,-0.1 0.921 65.8 134.9 49.4 49.4 31.9 -34.2 -6.2 90 111 A T < - 0 0 3 -5,-2.2 -1,-0.2 -6,-0.1 -2,-0.2 -0.996 60.6-113.4-130.2 128.9 29.0 -32.7 -8.0 91 112 A P - 0 0 0 0, 0.0 -22,-2.7 0, 0.0 2,-0.5 -0.380 28.0-153.6 -62.6 140.4 29.0 -29.5 -10.0 92 113 A L E -cd 69 112A 0 19,-2.9 21,-2.9 -24,-0.2 2,-0.9 -0.978 7.7-162.5-117.1 119.8 26.9 -26.7 -8.5 93 114 A X E -cd 70 113A 0 -24,-2.7 -22,-2.4 -2,-0.5 21,-0.2 -0.881 19.3-156.8 -97.8 99.2 25.5 -24.0 -10.8 94 115 A T E - d 0 114A 1 19,-2.4 21,-0.8 -2,-0.9 22,-0.4 -0.555 14.5-160.2 -78.7 147.2 24.6 -21.2 -8.4 95 116 A X + 0 0 3 -23,-1.7 -22,-0.1 -2,-0.2 -1,-0.1 0.323 60.8 98.0-104.6 6.2 22.0 -18.7 -9.4 96 117 A A - 0 0 3 -24,-0.2 20,-0.4 -22,-0.2 -22,-0.1 -0.300 66.8-132.9 -96.2 178.9 23.0 -16.0 -6.9 97 118 A A + 0 0 11 -24,-0.1 22,-1.4 -2,-0.1 -1,-0.1 0.706 56.6 111.7-111.1 -29.0 25.2 -12.9 -7.3 98 119 A A > - 0 0 2 20,-0.2 3,-1.9 1,-0.1 4,-0.3 -0.291 61.5-133.2 -65.6 139.2 27.9 -12.3 -4.7 99 120 A A G >> S+ 0 0 22 1,-0.3 4,-2.2 2,-0.2 3,-2.1 0.832 100.3 71.2 -55.9 -35.1 31.5 -12.7 -5.8 100 121 A I G 34 S+ 0 0 77 1,-0.3 -1,-0.3 2,-0.2 -2,-0.1 0.675 80.2 76.4 -60.2 -18.4 32.4 -14.9 -2.7 101 122 A L G <4 S+ 0 0 2 -3,-1.9 -1,-0.3 1,-0.2 -2,-0.2 0.819 122.4 1.1 -62.6 -29.1 30.3 -17.7 -4.2 102 123 A V T <4 S+ 0 0 3 -3,-2.1 238,-0.3 -4,-0.3 -2,-0.2 0.454 106.1 118.6-134.8 -5.8 33.2 -18.5 -6.6 103 124 A A < + 0 0 33 -4,-2.2 -1,-0.2 2,-0.1 2,-0.1 -0.961 65.7 24.4-134.6 144.1 36.0 -16.1 -6.0 104 125 A P S S- 0 0 112 0, 0.0 5,-0.1 0, 0.0 235,-0.1 0.692 99.4-115.1 -66.3 160.4 38.8 -16.3 -5.2 105 126 A X + 0 0 32 233,-0.4 2,-0.3 -2,-0.1 -2,-0.1 -0.234 44.4 163.7 -59.0 146.8 39.1 -19.9 -6.4 106 127 A D > - 0 0 39 -4,-0.1 4,-0.9 -3,-0.0 -1,-0.0 -0.891 54.8 -81.8-150.5-174.7 39.8 -22.6 -3.9 107 128 A E T 4 S+ 0 0 136 -2,-0.3 -2,-0.1 1,-0.2 4,-0.0 0.648 127.6 41.5 -70.6 -15.7 39.6 -26.4 -3.8 108 129 A R T >4 S+ 0 0 80 2,-0.1 3,-2.2 1,-0.1 -1,-0.2 0.824 107.1 57.8 -95.3 -43.8 35.8 -26.3 -3.1 109 130 A R G >4 S+ 0 0 25 1,-0.3 3,-1.8 2,-0.2 -2,-0.2 0.629 84.9 84.5 -65.6 -10.8 34.8 -23.6 -5.5 110 131 A K G 3< S+ 0 0 56 -4,-0.9 -1,-0.3 1,-0.3 -2,-0.1 0.755 91.6 49.9 -55.0 -26.1 36.4 -25.8 -8.2 111 132 A W G < S+ 0 0 33 -3,-2.2 -19,-2.9 -29,-0.1 2,-0.4 0.425 99.9 83.4 -92.9 0.1 33.0 -27.5 -8.2 112 133 A V E < -d 92 0A 0 -3,-1.8 2,-0.3 -21,-0.2 -19,-0.2 -0.879 50.0-176.9-117.4 135.6 30.9 -24.2 -8.5 113 134 A Y E -d 93 0A 0 -21,-2.9 -19,-2.4 -2,-0.4 2,-0.3 -0.893 7.6-161.3-124.9 160.3 30.0 -22.2 -11.6 114 135 A K E -d 94 0A 0 226,-1.9 4,-0.1 -2,-0.3 -19,-0.1 -0.874 15.9-175.9-152.8 105.8 28.1 -18.9 -11.6 115 136 A V + 0 0 1 -21,-0.8 -1,-0.1 -2,-0.3 -20,-0.1 0.741 66.8 85.4 -78.9 -24.0 26.2 -17.3 -14.5 116 137 A V S S- 0 0 2 -20,-0.4 3,-0.1 -22,-0.4 227,-0.1 -0.640 94.2-105.5 -76.1 131.9 25.2 -14.0 -12.8 117 138 A P - 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0 0 68 -3,-2.0 3,-0.1 1,-0.1 -4,-0.0 -0.193 47.7-148.9 -57.0 141.2 11.9 -6.3 7.7 177 198 A A S S+ 0 0 101 1,-0.1 2,-0.3 28,-0.0 -1,-0.1 0.726 78.0 24.9 -78.6 -24.6 8.6 -4.3 7.8 178 199 A S + 0 0 63 1,-0.1 -1,-0.1 31,-0.0 27,-0.0 -0.992 40.0 179.1-143.9 146.0 10.3 -0.9 8.3 179 200 A V > + 0 0 1 -2,-0.3 4,-2.4 26,-0.1 5,-0.2 -0.098 48.1 125.3-129.3 32.0 13.5 0.8 7.5 180 201 A T H > S+ 0 0 46 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.904 70.3 49.9 -63.6 -44.4 12.5 4.2 9.0 181 202 A G H > S+ 0 0 40 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.926 113.4 47.2 -59.1 -45.2 15.3 4.6 11.4 182 203 A Q H > S+ 0 0 36 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.912 113.1 48.1 -62.5 -45.0 17.9 3.9 8.8 183 204 A V H X S+ 0 0 0 -4,-2.4 4,-2.9 2,-0.2 5,-0.2 0.896 109.0 52.8 -67.4 -40.2 16.3 6.2 6.3 184 205 A L H X S+ 0 0 84 -4,-2.8 4,-2.3 -5,-0.2 -1,-0.2 0.922 109.8 50.0 -59.5 -42.1 16.0 9.0 8.8 185 206 A K H X S+ 0 0 126 -4,-2.0 4,-0.8 -5,-0.2 -2,-0.2 0.919 111.5 48.1 -62.0 -44.1 19.8 8.6 9.5 186 207 A I H >< S+ 0 0 0 -4,-2.2 3,-1.2 1,-0.2 4,-0.3 0.950 111.4 49.4 -60.5 -49.5 20.6 8.7 5.8 187 208 A I H >< S+ 0 0 45 -4,-2.9 3,-2.0 1,-0.3 -1,-0.2 0.883 103.6 60.8 -59.3 -37.3 18.5 11.8 5.2 188 209 A A H 3< S+ 0 0 75 -4,-2.3 -1,-0.3 1,-0.3 -2,-0.2 0.735 96.0 61.2 -64.4 -22.4 20.1 13.6 8.1 189 210 A T T << S- 0 0 44 -3,-1.2 -1,-0.3 -4,-0.8 -2,-0.2 0.521 101.9-137.4 -80.1 -4.5 23.5 13.3 6.4 190 211 A K < - 0 0 159 -3,-2.0 -3,-0.1 -4,-0.3 -2,-0.1 0.930 33.1-174.3 48.3 58.6 22.1 15.4 3.5 191 212 A P - 0 0 12 0, 0.0 -53,-0.2 0, 0.0 26,-0.2 -0.362 34.1-132.2 -79.9 163.1 23.6 13.3 0.8 192 213 A D S S- 0 0 80 -55,-2.5 26,-0.9 1,-0.2 2,-0.3 0.788 89.5 -0.2 -78.5 -31.6 23.5 14.0 -3.0 193 214 A A E -gi 138 218C 2 -56,-1.5 -54,-2.8 24,-0.2 2,-0.4 -0.937 67.0-133.5-150.7 165.3 22.4 10.5 -3.8 194 215 A V E -gi 139 219C 0 24,-2.1 26,-2.7 -2,-0.3 2,-0.5 -0.999 9.8-150.5-130.9 135.0 21.6 7.2 -2.0 195 216 A F E -gi 140 220C 1 -56,-3.0 -54,-2.2 -2,-0.4 2,-0.5 -0.889 10.1-165.0-100.5 132.6 22.8 3.7 -2.9 196 217 A I E -g 141 0C 0 24,-2.6 2,-0.7 -2,-0.5 -54,-0.2 -0.979 6.3-163.5-118.3 124.7 20.5 0.7 -2.0 197 218 A A E +g 142 0C 0 -56,-2.3 -54,-2.3 -2,-0.5 2,-0.2 -0.858 45.5 114.7-109.2 96.3 22.0 -2.8 -2.1 198 219 A S - 0 0 0 -2,-0.7 26,-0.4 -56,-0.2 2,-0.3 -0.808 45.7-142.8-150.3 180.0 18.9 -5.1 -2.1 199 220 A A + 0 0 3 -2,-0.2 26,-0.2 25,-0.1 4,-0.1 -0.989 53.7 2.0-158.0 150.2 17.1 -7.6 -4.3 200 221 A G S > S- 0 0 0 24,-2.9 3,-1.7 -2,-0.3 4,-0.2 -0.194 114.2 -30.9 68.8-163.0 13.5 -8.7 -5.1 201 222 A T G >> S+ 0 0 52 1,-0.3 3,-1.8 -186,-0.2 4,-0.5 0.792 128.5 71.2 -64.3 -26.6 10.4 -7.0 -3.8 202 223 A P G 34 S+ 0 0 19 0, 0.0 3,-0.3 0, 0.0 -1,-0.3 0.697 85.2 71.8 -60.4 -17.1 12.2 -6.0 -0.5 203 224 A A G <> S+ 0 0 0 -3,-1.7 4,-0.8 1,-0.2 -2,-0.2 0.676 85.9 65.3 -71.4 -18.2 14.2 -3.5 -2.5 204 225 A V H <> S+ 0 0 5 -3,-1.8 4,-2.8 -4,-0.2 3,-0.3 0.916 88.5 67.7 -68.5 -42.1 11.1 -1.3 -3.0 205 226 A L H X S+ 0 0 54 -4,-0.5 4,-2.6 -3,-0.3 5,-0.2 0.885 100.4 43.4 -50.2 -55.6 10.8 -0.4 0.7 206 227 A P H > S+ 0 0 0 0, 0.0 4,-2.2 0, 0.0 -1,-0.2 0.877 115.3 50.2 -63.4 -33.5 13.9 1.7 1.2 207 228 A Q H X S+ 0 0 0 -4,-0.8 4,-2.2 -3,-0.3 -2,-0.2 0.939 113.5 44.4 -69.5 -46.0 13.3 3.6 -2.0 208 229 A K H X S+ 0 0 60 -4,-2.8 4,-2.9 2,-0.2 5,-0.2 0.895 112.7 53.0 -61.0 -40.8 9.7 4.4 -1.2 209 230 A A H X S+ 0 0 7 -4,-2.6 4,-1.7 -5,-0.3 -2,-0.2 0.919 108.9 49.0 -64.3 -41.9 10.7 5.3 2.4 210 231 A L H <>S+ 0 0 0 -4,-2.2 5,-2.4 -5,-0.2 -1,-0.2 0.942 114.7 44.7 -60.1 -47.5 13.3 7.8 1.1 211 232 A R H ><5S+ 0 0 58 -4,-2.2 3,-1.6 1,-0.2 -2,-0.2 0.913 111.6 51.9 -65.5 -41.8 10.9 9.4 -1.3 212 233 A E H 3<5S+ 0 0 139 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.810 108.1 53.3 -65.1 -28.9 8.1 9.6 1.2 213 234 A R T 3<5S- 0 0 129 -4,-1.7 -1,-0.3 -5,-0.2 -2,-0.2 0.249 127.3 -95.2 -95.0 12.6 10.4 11.3 3.7 214 235 A G T < 5 + 0 0 42 -3,-1.6 2,-0.4 1,-0.3 -3,-0.2 0.423 69.6 149.7 100.6 1.0 11.4 14.0 1.2 215 236 A F < + 0 0 19 -5,-2.4 -1,-0.3 -6,-0.2 -2,-0.1 -0.552 12.9 172.4 -71.9 124.1 14.6 12.8 -0.4 216 237 A K + 0 0 178 -2,-0.4 -1,-0.2 2,-0.1 3,-0.1 0.485 41.2 101.4-110.5 -7.1 14.7 14.1 -4.0 217 238 A G S S- 0 0 25 1,-0.2 -24,-0.2 -26,-0.2 2,-0.1 -0.004 84.0 -64.5 -74.2-179.7 18.2 13.2 -5.1 218 239 A A E -i 193 0C 41 -26,-0.9 -24,-2.1 23,-0.0 2,-0.4 -0.386 45.5-156.3 -66.6 140.0 19.3 10.3 -7.3 219 240 A I E -i 194 0C 4 -26,-0.2 23,-1.1 21,-0.1 2,-0.4 -0.982 5.7-163.4-120.3 131.6 18.7 6.8 -6.0 220 241 A Y E +ij 195 242C 9 -26,-2.7 -24,-2.6 -2,-0.4 23,-0.2 -0.894 10.5 175.4-113.1 141.6 20.9 3.9 -7.3 221 242 A Q - 0 0 1 21,-2.3 23,-0.5 -2,-0.4 2,-0.3 -0.451 23.7-110.0-124.4-160.6 20.0 0.2 -6.9 222 243 A T > - 0 0 2 -24,-0.2 3,-2.3 21,-0.2 23,-0.1 -0.797 40.0 -88.0-130.6 172.8 21.5 -3.1 -8.1 223 244 A H G > S+ 0 0 8 21,-0.6 3,-1.2 1,-0.3 23,-0.1 0.555 112.2 84.4 -65.0 -5.7 20.7 -5.9 -10.5 224 245 A G G 3 S+ 0 0 3 -26,-0.4 -24,-2.9 1,-0.2 -1,-0.3 0.655 89.9 51.7 -63.6 -15.3 18.7 -7.5 -7.7 225 246 A V G < S+ 0 0 0 -3,-2.3 2,-1.4 -26,-0.2 5,-0.2 0.386 72.7 114.5-101.1 4.6 15.8 -5.2 -8.8 226 247 A A < + 0 0 2 -3,-1.2 56,-0.6 -4,-0.1 2,-0.4 0.040 50.7 103.3 -77.1 32.9 15.9 -6.1 -12.5 227 248 A T S >> S- 0 0 0 -2,-1.4 3,-1.7 54,-0.1 4,-1.1 -0.904 76.6-129.4-112.2 140.4 12.4 -7.6 -12.4 228 249 A E H 3> S+ 0 0 65 -2,-0.4 4,-2.5 1,-0.3 5,-0.2 0.743 107.3 70.9 -58.3 -20.2 9.2 -6.0 -13.7 229 250 A E H 3> S+ 0 0 80 1,-0.2 4,-2.3 2,-0.2 -1,-0.3 0.852 96.1 51.6 -63.3 -33.8 7.7 -6.9 -10.3 230 251 A F H <> S+ 0 0 0 -3,-1.7 4,-2.5 -5,-0.2 5,-0.2 0.899 109.9 48.6 -68.1 -41.8 9.9 -4.2 -8.8 231 252 A I H X S+ 0 0 15 -4,-1.1 4,-2.3 2,-0.2 -2,-0.2 0.933 113.5 47.0 -63.2 -45.2 8.7 -1.6 -11.3 232 253 A K H < S+ 0 0 160 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.929 117.9 40.1 -65.7 -45.8 5.1 -2.5 -10.7 233 254 A L H < S+ 0 0 100 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.884 118.6 47.7 -70.0 -38.1 5.3 -2.4 -6.9 234 255 A G H >< S+ 0 0 0 -4,-2.5 3,-1.3 -5,-0.2 4,-0.3 0.802 81.6 168.2 -77.6 -31.1 7.6 0.6 -6.8 235 256 A G G >X - 0 0 37 -4,-2.3 3,-1.5 1,-0.3 4,-0.7 -0.169 67.2 -7.9 57.0-140.7 5.6 2.8 -9.2 236 257 A K G >4 S+ 0 0 194 1,-0.3 3,-0.5 2,-0.2 -1,-0.3 0.780 129.2 67.5 -60.7 -28.4 6.5 6.5 -9.4 237 258 A D G <4 S+ 0 0 41 -3,-1.3 -1,-0.3 1,-0.2 -2,-0.2 0.762 104.9 41.1 -67.2 -24.5 8.9 6.1 -6.5 238 259 A V G X4 S+ 0 0 0 -3,-1.5 3,-2.2 -4,-0.3 115,-0.2 0.490 83.5 120.7-102.5 -4.6 11.3 3.9 -8.5 239 260 A E T << S+ 0 0 72 -4,-0.7 115,-0.2 -3,-0.5 3,-0.1 -0.350 79.2 23.1 -54.6 134.7 11.1 5.8 -11.7 240 261 A G T 3 S+ 0 0 34 113,-2.7 -1,-0.3 1,-0.3 -21,-0.1 0.343 84.4 148.7 87.4 -7.4 14.6 7.0 -12.6 241 262 A A < - 0 0 0 -3,-2.2 112,-2.3 111,-0.1 2,-0.4 -0.343 30.0-159.2 -58.0 141.4 16.4 4.3 -10.6 242 263 A I E +jK 220 352C 11 -23,-1.1 -21,-2.3 110,-0.2 2,-0.3 -0.966 17.4 162.5-125.7 141.1 19.7 3.4 -12.1 243 264 A F E - K 0 351C 0 108,-2.2 108,-3.2 -2,-0.4 2,-0.5 -0.979 40.7-109.5-148.9 158.4 21.8 0.2 -11.6 244 265 A A E + K 0 350C 2 -23,-0.5 -21,-0.6 -2,-0.3 106,-0.2 -0.831 59.2 139.0 -88.1 127.3 24.6 -1.8 -13.2 245 266 A G E - K 0 349C 0 104,-3.1 104,-2.8 -2,-0.5 2,-0.2 -0.675 41.9 -48.8-150.0-157.9 23.2 -5.0 -14.6 246 267 A E >> - 0 0 1 -2,-0.2 3,-1.4 102,-0.2 4,-0.8 -0.462 42.1-111.8 -95.7 158.2 23.0 -7.6 -17.4 247 268 A A H >> S+ 0 0 0 1,-0.3 3,-1.1 100,-0.2 4,-0.7 0.855 113.0 67.7 -50.1 -41.3 22.6 -7.5 -21.2 248 269 A F H >4 S+ 0 0 11 81,-1.8 3,-0.8 1,-0.3 4,-0.3 0.864 98.4 51.2 -48.2 -42.8 19.2 -9.1 -20.8 249 270 A S H <4 S+ 0 0 4 -3,-1.4 -1,-0.3 1,-0.2 -2,-0.2 0.756 118.4 35.7 -72.2 -26.3 17.9 -5.9 -19.1 250 271 A G H X< S+ 0 0 0 -3,-1.1 3,-1.9 -4,-0.8 -1,-0.2 0.295 84.7 109.6-104.4 8.8 19.2 -3.6 -21.9 251 272 A A G X< + 0 0 0 -3,-0.8 3,-1.8 -4,-0.7 -2,-0.1 0.812 69.7 60.6 -62.3 -35.0 18.5 -6.0 -24.8 252 273 A E G 3 S+ 0 0 95 -4,-0.3 -1,-0.3 1,-0.3 -2,-0.1 0.694 105.0 51.5 -66.6 -16.8 15.7 -4.0 -26.3 253 274 A D G < S+ 0 0 56 -3,-1.9 -1,-0.3 2,-0.1 -2,-0.2 0.235 95.5 89.1-103.5 13.4 18.0 -1.0 -26.8 254 275 A X S < S- 0 0 21 -3,-1.8 4,-0.0 1,-0.1 -3,-0.0 -0.617 95.1 -71.8-103.4 165.8 20.7 -3.0 -28.6 255 276 A P > - 0 0 97 0, 0.0 3,-2.3 0, 0.0 6,-0.3 -0.259 45.4-116.8 -57.9 146.4 21.0 -3.6 -32.3 256 277 A A T 3 S+ 0 0 88 1,-0.3 -2,-0.0 -3,-0.1 -3,-0.0 0.790 114.3 47.5 -56.3 -32.6 18.4 -6.1 -33.7 257 278 A D T 3 S+ 0 0 123 4,-0.1 -1,-0.3 3,-0.0 5,-0.0 0.273 81.7 133.7 -93.2 9.7 21.1 -8.6 -34.7 258 279 A S X> - 0 0 16 -3,-2.3 4,-1.7 1,-0.1 3,-0.9 -0.355 63.3-129.5 -61.7 138.5 22.9 -8.5 -31.4 259 280 A P H 3> S+ 0 0 74 0, 0.0 4,-2.4 0, 0.0 5,-0.2 0.831 108.9 61.3 -55.9 -30.3 23.8 -11.9 -30.0 260 281 A F H 3> S+ 0 0 35 1,-0.2 4,-1.3 2,-0.2 5,-0.1 0.849 103.1 48.3 -68.4 -32.1 22.3 -10.8 -26.7 261 282 A R H <> S+ 0 0 84 -3,-0.9 4,-2.2 -6,-0.3 -1,-0.2 0.879 111.1 51.8 -73.2 -34.0 18.9 -10.3 -28.4 262 283 A K H X S+ 0 0 83 -4,-1.7 4,-1.8 2,-0.2 -2,-0.2 0.932 110.4 45.9 -66.4 -46.7 19.1 -13.7 -30.0 263 284 A V H X S+ 0 0 12 -4,-2.4 4,-1.3 1,-0.2 -1,-0.2 0.809 112.6 52.6 -70.4 -26.3 19.9 -15.6 -26.8 264 285 A K H X S+ 0 0 26 -4,-1.3 4,-3.1 -5,-0.2 5,-0.2 0.913 106.3 52.7 -70.7 -42.5 17.1 -13.7 -25.0 265 286 A A H X S+ 0 0 43 -4,-2.2 4,-2.9 1,-0.2 5,-0.3 0.878 104.8 55.7 -61.9 -38.5 14.6 -14.7 -27.7 266 287 A R H X S+ 0 0 153 -4,-1.8 4,-1.7 2,-0.2 -1,-0.2 0.927 113.7 40.9 -59.6 -44.8 15.5 -18.3 -27.3 267 288 A F H X S+ 0 0 0 -4,-1.3 4,-3.0 2,-0.2 5,-0.2 0.951 116.3 48.1 -66.5 -50.8 14.7 -18.1 -23.5 268 289 A V H X S+ 0 0 25 -4,-3.1 4,-3.0 1,-0.2 5,-0.2 0.914 112.1 49.4 -60.4 -43.6 11.6 -16.0 -23.9 269 290 A D H X S+ 0 0 109 -4,-2.9 4,-2.1 -5,-0.2 -1,-0.2 0.926 114.6 44.3 -62.7 -44.7 10.1 -18.1 -26.6 270 291 A A H X S+ 0 0 28 -4,-1.7 4,-1.4 -5,-0.3 -2,-0.2 0.915 114.7 49.2 -66.8 -41.9 10.7 -21.3 -24.6 271 292 A Y H X S+ 0 0 11 -4,-3.0 4,-1.2 1,-0.2 3,-0.4 0.936 111.3 48.7 -63.2 -47.4 9.4 -19.8 -21.4 272 293 A K H ><>S+ 0 0 86 -4,-3.0 5,-2.8 1,-0.2 3,-0.5 0.906 108.7 54.1 -59.1 -41.1 6.3 -18.4 -23.1 273 294 A A H 3<5S+ 0 0 90 -4,-2.1 3,-0.3 1,-0.2 -1,-0.2 0.816 114.9 40.8 -64.2 -29.2 5.6 -21.8 -24.7 274 295 A A H 3<5S+ 0 0 41 -4,-1.4 -1,-0.2 -3,-0.4 -2,-0.2 0.583 117.9 47.1 -92.8 -12.7 5.7 -23.4 -21.3 275 296 A N T X<5S- 0 0 43 -4,-1.2 3,-1.7 -3,-0.5 -1,-0.2 -0.102 116.1 -94.5-128.7 35.5 3.9 -20.8 -19.3 276 297 A G T 3 5S- 0 0 85 -3,-0.3 -3,-0.2 1,-0.3 -4,-0.1 0.759 84.3 -55.3 62.8 27.5 0.8 -19.9 -21.3 277 298 A G T 3 > - 0 0 17 -2,-0.1 3,-1.4 -54,-0.1 4,-0.6 -0.682 36.3 -96.5-100.9 168.5 11.5 -11.9 -15.7 282 303 A I H >> S+ 0 0 0 -56,-0.6 3,-1.4 1,-0.3 4,-0.7 0.797 114.3 70.7 -57.1 -32.5 15.3 -11.9 -15.7 283 304 A F H >> S+ 0 0 7 1,-0.3 3,-1.0 -265,-0.2 4,-0.6 0.839 92.1 58.3 -62.9 -28.5 15.6 -14.2 -12.7 284 305 A G H X> S+ 0 0 0 -3,-1.4 4,-2.2 1,-0.2 3,-0.8 0.823 96.4 64.3 -63.9 -30.3 14.4 -17.2 -14.7 285 306 A V H X S+ 0 0 0 -4,-2.0 4,-1.6 1,-0.2 3,-0.5 0.944 112.4 49.9 -64.1 -47.4 25.4 -27.7 -18.7 295 316 A E H 3< S+ 0 0 71 -4,-3.1 -1,-0.2 1,-0.2 -2,-0.2 0.879 109.5 52.4 -58.1 -39.9 23.8 -28.6 -22.0 296 317 A N H 3< S+ 0 0 92 -4,-2.2 4,-0.4 -5,-0.2 -1,-0.2 0.793 112.8 45.3 -67.2 -27.7 27.0 -27.5 -23.8 297 318 A A H S+ 0 0 59 0, 0.0 4,-0.7 0, 0.0 -1,-0.2 0.931 111.7 44.4 -59.0 -43.0 28.0 -34.3 -25.1 300 321 A A H >> S+ 0 0 34 -4,-0.4 3,-1.1 1,-0.2 4,-0.6 0.916 112.4 52.7 -63.6 -40.3 31.7 -34.3 -24.2 301 322 A A H >X S+ 0 0 0 -4,-2.0 4,-1.7 1,-0.3 3,-1.2 0.861 101.8 59.8 -63.6 -35.1 30.9 -35.8 -20.8 302 323 A L H 3< S+ 0 0 42 -4,-2.5 -1,-0.3 1,-0.3 -2,-0.2 0.698 98.1 59.6 -66.2 -20.6 28.9 -38.6 -22.3 303 324 A K H << S+ 0 0 188 -3,-1.1 -1,-0.3 -4,-0.7 -2,-0.2 0.702 110.8 42.5 -76.8 -19.2 32.1 -39.7 -24.2 304 325 A A H << S- 0 0 74 -3,-1.2 2,-0.3 -4,-0.6 -2,-0.2 0.782 125.1 -18.1 -96.0 -34.1 33.8 -40.2 -20.9 305 326 A A < - 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