==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=18-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER MALTOSE-BINDING PROTEIN 29-OCT-03 1URG . COMPND 2 MOLECULE: MALTOSE-BINDING PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: ALICYCLOBACILLUS ACIDOCALDARIUS; . AUTHOR K.SCHAFER,U.MAGNUSSON,F.SCHEFFEL,A.SCHIEFNER,M.O.J.SANDGREN, . 373 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16067.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 274 73.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 17 4.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 39 10.5 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 . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.5 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 . 19 5.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 56 15.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 123 33.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 1.9 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 2 0 2 4 0 2 1 3 0 0 0 1 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 2 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 0 PARALLEL BRIDGES PER LADDER . 2 1 0 2 3 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 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 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 30 A Q 0 0 186 0, 0.0 30,-2.1 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0-178.5 -24.7 -32.4 44.9 2 31 A T E -a 31 0A 70 28,-0.2 2,-0.5 30,-0.0 30,-0.2 -0.940 360.0-151.7-132.7 151.5 -24.9 -28.7 43.9 3 32 A I E -a 32 0A 1 28,-2.9 30,-2.6 -2,-0.3 2,-0.5 -0.975 23.8-147.2-115.5 126.8 -25.6 -25.3 45.5 4 33 A T E -a 33 0A 36 -2,-0.5 55,-2.3 28,-0.2 54,-1.8 -0.860 12.3-170.0-104.9 130.9 -27.2 -22.8 43.1 5 34 A V E -ab 34 59A 1 28,-3.4 30,-2.9 -2,-0.5 2,-0.5 -0.956 6.9-158.8-117.1 129.5 -26.5 -19.1 43.3 6 35 A W E -ab 35 60A 25 53,-2.5 55,-3.1 -2,-0.4 2,-0.5 -0.945 11.8-165.0-108.0 126.2 -28.4 -16.5 41.3 7 36 A S E -ab 36 61A 0 28,-3.0 30,-2.7 -2,-0.5 31,-0.7 -0.938 21.5-172.9-115.3 128.6 -26.6 -13.1 40.9 8 37 A W S S+ 0 0 13 53,-2.3 2,-0.4 -2,-0.5 54,-0.2 0.354 73.1 83.4 -95.6 4.4 -28.3 -9.9 39.7 9 38 A Q + 0 0 19 52,-0.4 2,-0.2 4,-0.1 29,-0.1 -0.903 62.4 176.8-105.2 136.3 -24.9 -8.3 39.5 10 39 A T > + 0 0 65 -2,-0.4 3,-0.7 26,-0.1 4,-0.5 -0.471 35.5 45.3-123.8-165.5 -23.0 -8.9 36.3 11 40 A G T >> S- 0 0 32 1,-0.2 4,-1.4 2,-0.2 3,-0.7 -0.276 116.4 -10.3 68.4-151.9 -19.7 -7.9 34.7 12 41 A P H 3> S+ 0 0 38 0, 0.0 4,-1.7 0, 0.0 -1,-0.2 0.843 135.2 55.6 -49.7 -43.0 -16.4 -7.8 36.7 13 42 A E H <> S+ 0 0 9 -3,-0.7 4,-2.5 1,-0.2 -2,-0.2 0.877 102.7 56.0 -61.7 -38.4 -18.2 -8.4 40.0 14 43 A L H <> S+ 0 0 8 -3,-0.7 4,-2.2 -4,-0.5 -1,-0.2 0.908 105.4 52.1 -60.8 -41.0 -19.8 -11.5 38.7 15 44 A Q H X S+ 0 0 107 -4,-1.4 4,-1.9 1,-0.2 -1,-0.2 0.885 109.1 49.7 -63.2 -37.4 -16.4 -12.9 37.8 16 45 A D H X S+ 0 0 6 -4,-1.7 4,-2.3 2,-0.2 5,-0.2 0.912 108.1 53.9 -66.9 -40.9 -15.2 -12.2 41.4 17 46 A V H X S+ 0 0 0 -4,-2.5 4,-2.2 1,-0.2 -2,-0.2 0.907 109.0 49.7 -58.2 -42.4 -18.3 -14.0 42.7 18 47 A K H X S+ 0 0 90 -4,-2.2 4,-2.3 2,-0.2 -1,-0.2 0.882 110.6 47.6 -66.2 -39.9 -17.4 -17.0 40.7 19 48 A Q H X S+ 0 0 83 -4,-1.9 4,-1.8 2,-0.2 -1,-0.2 0.877 113.1 48.4 -71.2 -35.6 -13.8 -17.2 41.8 20 49 A I H X S+ 0 0 19 -4,-2.3 4,-2.0 2,-0.2 -2,-0.2 0.905 112.8 48.6 -69.2 -40.1 -14.7 -16.8 45.5 21 50 A A H X S+ 0 0 3 -4,-2.2 4,-2.6 -5,-0.2 -2,-0.2 0.910 108.6 54.0 -65.1 -42.1 -17.4 -19.5 45.1 22 51 A A H X S+ 0 0 49 -4,-2.3 4,-1.6 1,-0.2 -1,-0.2 0.892 109.8 47.6 -59.1 -41.6 -14.9 -21.8 43.4 23 52 A Q H X S+ 0 0 135 -4,-1.8 4,-1.0 2,-0.2 -1,-0.2 0.889 111.4 49.8 -66.5 -42.0 -12.5 -21.5 46.3 24 53 A W H X S+ 0 0 19 -4,-2.0 4,-2.2 1,-0.2 3,-0.5 0.904 109.7 53.0 -62.6 -41.6 -15.2 -22.1 48.8 25 54 A A H X S+ 0 0 18 -4,-2.6 4,-3.0 1,-0.2 -1,-0.2 0.835 99.2 61.7 -64.4 -35.1 -16.3 -25.2 46.9 26 55 A K H < S+ 0 0 183 -4,-1.6 -1,-0.2 1,-0.2 -2,-0.2 0.863 112.1 38.7 -61.1 -34.9 -12.8 -26.7 46.9 27 56 A A H < S+ 0 0 85 -4,-1.0 -2,-0.2 -3,-0.5 -1,-0.2 0.880 123.2 39.5 -81.6 -41.0 -12.9 -26.9 50.6 28 57 A H H < S- 0 0 88 -4,-2.2 -2,-0.2 2,-0.1 -3,-0.2 0.723 93.0-136.4 -84.5 -24.5 -16.5 -27.9 51.1 29 58 A G < + 0 0 61 -4,-3.0 2,-0.1 1,-0.3 -4,-0.1 0.203 61.6 124.1 89.8 -19.0 -16.9 -30.3 48.2 30 59 A D - 0 0 43 -6,-0.2 2,-0.5 -5,-0.1 -1,-0.3 -0.471 65.1-121.3 -74.2 148.7 -20.3 -29.1 47.1 31 60 A K E -a 2 0A 122 -30,-2.1 -28,-2.9 -2,-0.1 2,-0.5 -0.812 28.0-153.4 -90.9 129.7 -20.5 -28.0 43.4 32 61 A V E -a 3 0A 26 -2,-0.5 2,-0.5 -30,-0.2 -28,-0.2 -0.921 8.6-166.3-112.2 127.2 -21.5 -24.4 43.2 33 62 A I E -a 4 0A 83 -30,-2.6 -28,-3.4 -2,-0.5 2,-0.5 -0.931 4.1-159.1-112.7 128.6 -23.3 -23.0 40.1 34 63 A V E -a 5 0A 26 -2,-0.5 2,-0.5 -30,-0.2 -28,-0.2 -0.925 6.0-165.9-110.5 128.5 -23.7 -19.3 39.5 35 64 A V E -a 6 0A 50 -30,-2.9 -28,-3.0 -2,-0.5 2,-0.8 -0.953 17.2-135.6-116.9 129.7 -26.4 -18.0 37.2 36 65 A D E +a 7 0A 62 -2,-0.5 3,-0.2 -30,-0.2 -28,-0.2 -0.742 30.1 166.1 -85.1 111.3 -26.5 -14.4 35.9 37 66 A Q > + 0 0 20 -30,-2.7 3,-1.5 -2,-0.8 -29,-0.2 0.309 43.9 107.7-106.1 5.5 -30.1 -13.1 36.2 38 67 A S T 3 S+ 0 0 40 -31,-0.7 -1,-0.1 1,-0.3 -30,-0.1 0.800 84.2 42.8 -55.1 -31.6 -29.2 -9.4 35.6 39 68 A S T 3 S+ 0 0 108 -3,-0.2 -1,-0.3 4,-0.1 -2,-0.1 0.471 79.0 128.7 -95.3 -3.3 -30.8 -9.5 32.1 40 69 A N X - 0 0 37 -3,-1.5 3,-2.5 1,-0.2 6,-0.1 -0.351 56.1-143.5 -57.3 118.0 -33.9 -11.5 33.0 41 70 A P T 3 S+ 0 0 126 0, 0.0 -1,-0.2 0, 0.0 3,-0.1 0.725 96.8 68.8 -56.2 -23.1 -36.9 -9.5 31.7 42 71 A K T 3 S- 0 0 137 1,-0.2 3,-0.3 2,-0.1 7,-0.1 0.612 97.4-152.8 -72.3 -11.5 -39.0 -10.5 34.7 43 72 A G X - 0 0 26 -3,-2.5 3,-1.7 1,-0.2 4,-0.2 -0.141 41.9 -33.8 74.0-167.8 -36.7 -8.3 36.8 44 73 A F T > S+ 0 0 88 1,-0.3 3,-1.5 2,-0.2 4,-0.2 0.853 131.1 63.3 -59.1 -37.9 -35.7 -8.6 40.5 45 74 A Q T >> S+ 0 0 43 -3,-0.3 4,-1.5 1,-0.3 3,-0.8 0.499 75.5 92.0 -69.0 -1.0 -39.1 -9.9 41.5 46 75 A F H <> S+ 0 0 41 -3,-1.7 4,-2.6 1,-0.2 -1,-0.3 0.788 74.1 69.2 -63.7 -24.0 -38.4 -13.0 39.4 47 76 A Y H <> S+ 0 0 0 -3,-1.5 4,-3.0 1,-0.2 -1,-0.2 0.900 99.8 45.9 -60.9 -40.6 -37.0 -14.6 42.5 48 77 A A H <> S+ 0 0 0 -3,-0.8 4,-2.1 -4,-0.2 -1,-0.2 0.937 110.6 53.0 -68.0 -44.8 -40.5 -14.7 44.1 49 78 A T H X S+ 0 0 71 -4,-1.5 4,-0.7 1,-0.2 -2,-0.2 0.933 117.2 38.3 -55.2 -48.0 -42.0 -16.1 40.9 50 79 A A H ><>S+ 0 0 6 -4,-2.6 5,-2.4 1,-0.2 3,-1.1 0.938 115.2 51.7 -69.1 -48.6 -39.4 -18.9 40.8 51 80 A A H ><5S+ 0 0 3 -4,-3.0 3,-0.9 4,-0.3 -1,-0.2 0.730 101.7 63.0 -62.3 -23.5 -39.3 -19.5 44.6 52 81 A R H 3<5S+ 0 0 126 -4,-2.1 -1,-0.3 1,-0.2 -2,-0.2 0.811 108.2 41.2 -70.9 -30.4 -43.1 -19.9 44.7 53 82 A T T <<5S- 0 0 91 -3,-1.1 -1,-0.2 -4,-0.7 -2,-0.2 0.119 120.0-104.5-104.3 20.1 -43.0 -22.9 42.5 54 83 A G T < 5S+ 0 0 43 -3,-0.9 -3,-0.2 1,-0.1 -2,-0.1 0.703 94.3 110.7 67.3 20.1 -39.9 -24.5 44.1 55 84 A K < + 0 0 153 -5,-2.4 -4,-0.3 -6,-0.2 -5,-0.1 0.197 47.6 119.3-108.8 15.8 -37.7 -23.5 41.2 56 85 A G - 0 0 25 -6,-0.5 -52,-0.1 -5,-0.1 2,-0.1 -0.235 64.9-103.0 -79.8 168.2 -35.6 -21.0 43.1 57 86 A P - 0 0 2 0, 0.0 -52,-0.2 0, 0.0 209,-0.2 -0.295 20.3-124.9 -81.5 171.8 -31.9 -20.9 43.9 58 87 A D S S+ 0 0 33 -54,-1.8 206,-2.8 1,-0.3 2,-0.4 0.890 96.2 24.7 -81.2 -41.1 -30.3 -21.7 47.2 59 88 A V E -bC 5 263A 1 -55,-2.3 -53,-2.5 204,-0.2 2,-0.4 -0.953 66.4-156.3-128.0 141.7 -28.5 -18.4 47.5 60 89 A V E -bC 6 262A 0 202,-2.6 202,-2.2 -2,-0.4 2,-0.4 -0.972 12.6-170.1-118.9 131.2 -29.3 -15.0 45.9 61 90 A F E +bC 7 261A 3 -55,-3.1 -53,-2.3 -2,-0.4 -52,-0.4 -0.959 62.0 18.3-122.7 139.9 -26.5 -12.4 45.5 62 91 A G E S+ 0 0 0 198,-0.9 199,-0.2 -2,-0.4 -1,-0.2 0.816 72.2 157.3 77.9 34.5 -26.8 -8.8 44.5 63 92 A M E - C 0 260A 0 197,-2.3 197,-2.6 -3,-0.2 -1,-0.2 -0.805 44.9-120.8 -96.7 125.7 -30.5 -8.0 45.3 64 93 A P E > - C 0 259A 14 0, 0.0 3,-1.4 0, 0.0 4,-0.4 -0.417 27.8-122.9 -61.9 136.5 -31.5 -4.4 45.9 65 94 A H G > S+ 0 0 1 193,-2.5 3,-0.9 1,-0.3 4,-0.4 0.684 101.4 71.9 -59.0 -25.5 -33.0 -4.2 49.4 66 95 A D G > S+ 0 0 8 1,-0.2 3,-0.8 2,-0.2 4,-0.3 0.837 93.5 58.4 -60.8 -32.2 -36.4 -2.8 48.5 67 96 A N G X> S+ 0 0 5 -3,-1.4 4,-1.1 1,-0.2 3,-0.9 0.744 87.9 74.6 -69.0 -26.7 -37.4 -6.2 46.9 68 97 A N H <> S+ 0 0 4 -3,-0.9 4,-3.0 -4,-0.4 5,-0.3 0.698 78.2 72.8 -64.6 -21.7 -36.9 -8.2 50.1 69 98 A G H <> S+ 0 0 0 -3,-0.8 4,-2.0 -4,-0.4 -1,-0.2 0.910 101.6 44.5 -59.0 -40.4 -40.0 -7.0 51.8 70 99 A V H <> S+ 0 0 12 -3,-0.9 4,-1.7 -4,-0.3 -1,-0.2 0.932 114.6 47.7 -68.4 -47.1 -42.1 -9.1 49.4 71 100 A F H <>S+ 0 0 0 -4,-1.1 5,-2.6 1,-0.2 6,-0.4 0.931 113.5 48.2 -59.8 -48.2 -39.9 -12.2 49.7 72 101 A A H ><5S+ 0 0 8 -4,-3.0 3,-1.6 1,-0.2 5,-0.2 0.912 109.8 50.7 -60.5 -47.7 -39.8 -12.0 53.5 73 102 A E H 3<5S+ 0 0 122 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.853 109.9 50.6 -61.3 -35.9 -43.5 -11.6 53.9 74 103 A E T 3<5S- 0 0 87 -4,-1.7 -1,-0.3 -5,-0.2 -2,-0.2 0.391 116.8-114.5 -84.4 5.6 -44.2 -14.6 51.7 75 104 A G T < 5S+ 0 0 45 -3,-1.6 -3,-0.2 -4,-0.2 -2,-0.1 0.866 77.8 128.0 66.1 39.7 -41.8 -16.7 53.7 76 105 A L < + 0 0 17 -5,-2.6 189,-1.4 -6,-0.1 2,-0.4 0.371 56.4 73.5-104.3 1.8 -39.3 -17.2 50.9 77 106 A M B S-F 264 0B 5 -6,-0.4 187,-0.2 187,-0.2 29,-0.1 -0.947 73.5-134.6-121.4 138.8 -36.3 -16.0 53.0 78 107 A A - 0 0 0 185,-2.4 185,-0.4 -2,-0.4 -2,-0.0 -0.737 36.7-112.2 -85.9 131.9 -34.4 -17.7 55.8 79 108 A P - 0 0 65 0, 0.0 26,-0.2 0, 0.0 -1,-0.1 -0.306 39.4 -95.9 -61.1 150.6 -33.8 -15.3 58.7 80 109 A V - 0 0 21 24,-2.3 24,-0.2 26,-0.1 3,-0.1 -0.535 45.0-123.9 -68.7 126.1 -30.2 -14.4 59.2 81 110 A P > - 0 0 53 0, 0.0 3,-1.4 0, 0.0 4,-0.5 -0.310 33.4 -87.4 -70.7 156.9 -28.8 -16.7 61.9 82 111 A S T 3 S+ 0 0 128 1,-0.2 0, 0.0 2,-0.1 0, 0.0 -0.281 110.7 30.5 -62.3 147.2 -27.1 -15.2 65.0 83 112 A G T 3 S+ 0 0 80 2,-0.3 -1,-0.2 -3,-0.1 3,-0.1 0.261 97.2 88.5 89.9 -12.8 -23.4 -14.5 64.8 84 113 A V S < S+ 0 0 31 -3,-1.4 2,-0.5 1,-0.2 -2,-0.1 0.876 84.9 46.4 -85.6 -40.9 -23.4 -13.7 61.1 85 114 A L - 0 0 22 -4,-0.5 2,-0.8 -5,-0.1 -2,-0.3 -0.910 58.6-166.4-111.3 125.3 -24.2 -10.0 61.1 86 115 A N > - 0 0 93 -2,-0.5 3,-2.4 1,-0.1 4,-0.2 -0.888 10.6-160.4-105.1 98.9 -22.5 -7.5 63.4 87 116 A T G > S+ 0 0 73 -2,-0.8 3,-1.2 1,-0.3 8,-0.2 0.722 84.1 68.6 -53.2 -23.8 -24.7 -4.4 63.2 88 117 A G G 3 S+ 0 0 57 1,-0.2 -1,-0.3 -3,-0.1 -3,-0.0 0.601 86.2 67.4 -74.3 -9.8 -21.9 -2.2 64.4 89 118 A L G < S+ 0 0 87 -3,-2.4 211,-2.5 2,-0.1 212,-0.4 0.411 100.0 54.3 -90.4 3.2 -19.8 -2.7 61.3 90 119 A Y S < S- 0 0 21 -3,-1.2 209,-0.1 209,-0.2 208,-0.1 -0.874 94.7 -91.1-131.6 164.0 -22.3 -0.8 59.1 91 120 A A >> - 0 0 30 207,-0.5 4,-1.4 -2,-0.3 3,-0.8 -0.438 45.4-113.1 -69.6 149.4 -24.0 2.6 59.0 92 121 A P H 3> S+ 0 0 98 0, 0.0 4,-2.3 0, 0.0 5,-0.2 0.873 115.3 55.1 -53.9 -40.2 -27.3 2.5 60.8 93 122 A N H 3> S+ 0 0 79 1,-0.2 4,-1.6 2,-0.2 5,-0.1 0.820 102.3 58.3 -64.4 -29.8 -29.4 3.1 57.7 94 123 A T H <> S+ 0 0 7 -3,-0.8 4,-0.7 2,-0.2 -1,-0.2 0.919 109.3 43.8 -65.5 -42.4 -27.7 0.1 56.0 95 124 A I H >X S+ 0 0 9 -4,-1.4 3,-1.0 1,-0.2 4,-0.6 0.902 110.1 53.8 -70.0 -42.5 -28.9 -2.2 58.8 96 125 A D H >< S+ 0 0 93 -4,-2.3 3,-0.9 1,-0.3 -1,-0.2 0.858 102.6 61.9 -60.6 -31.7 -32.4 -0.8 58.9 97 126 A A H 3< S+ 0 0 7 -4,-1.6 -1,-0.3 1,-0.2 -2,-0.2 0.791 104.8 45.3 -65.3 -28.1 -32.6 -1.5 55.1 98 127 A I H << S+ 0 0 3 -3,-1.0 7,-2.2 -4,-0.7 8,-0.6 0.470 93.9 93.8 -96.8 -0.8 -32.1 -5.2 55.6 99 128 A K E << -G 104 0C 58 -3,-0.9 2,-0.5 -4,-0.6 5,-0.3 -0.765 53.3-170.5 -92.6 135.5 -34.6 -5.5 58.4 100 129 A V E > S-G 103 0C 5 3,-3.0 3,-2.0 -2,-0.4 -3,-0.0 -0.989 75.9 -15.6-126.9 120.6 -38.2 -6.5 57.5 101 130 A N T 3 S- 0 0 148 -2,-0.5 -1,-0.1 1,-0.3 3,-0.1 0.841 131.5 -52.2 55.0 34.5 -40.8 -6.3 60.3 102 131 A G T 3 S+ 0 0 66 1,-0.2 2,-0.4 -6,-0.1 -1,-0.3 0.388 117.5 108.4 86.5 -3.6 -38.0 -6.1 62.8 103 132 A T E < -G 100 0C 55 -3,-2.0 -3,-3.0 -5,-0.0 2,-0.6 -0.906 69.3-126.6-111.8 134.9 -36.2 -9.2 61.6 104 133 A M E +G 99 0C 53 -2,-0.4 -24,-2.3 -5,-0.3 -5,-0.2 -0.676 34.7 167.8 -78.6 119.5 -32.8 -9.2 59.7 105 134 A Y + 0 0 43 -7,-2.2 158,-0.4 -2,-0.6 2,-0.3 0.484 54.5 28.0-112.2 -7.5 -33.4 -11.2 56.5 106 135 A S - 0 0 0 -8,-0.6 156,-0.2 156,-0.1 -1,-0.1 -0.975 69.7-114.6-151.0 166.7 -30.3 -10.4 54.4 107 136 A V E -D 261 0A 3 154,-2.9 154,-1.6 -2,-0.3 2,-0.2 -0.884 31.3-126.5-106.3 128.5 -26.7 -9.4 54.4 108 137 A P E +D 260 0A 0 0, 0.0 152,-0.2 0, 0.0 3,-0.1 -0.510 32.0 167.8 -74.5 141.8 -25.6 -6.0 53.0 109 138 A V E - 0 0 3 150,-3.2 189,-1.5 1,-0.5 190,-0.4 0.670 62.4 -1.0-119.5 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115,-0.2 4,-2.1 1,-0.1 3,-0.2 -0.797 87.6-112.9-114.7 159.4 -25.9 24.8 40.8 130 159 A W H > S+ 0 0 24 116,-0.3 4,-2.6 -2,-0.3 5,-0.2 0.857 115.7 57.9 -58.9 -36.0 -28.9 24.5 38.5 131 160 A A H > S+ 0 0 75 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.926 109.0 43.2 -60.6 -47.1 -27.7 27.5 36.5 132 161 A E H > S+ 0 0 79 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.870 112.7 55.1 -66.4 -36.7 -24.4 25.9 35.7 133 162 A F H X S+ 0 0 1 -4,-2.1 4,-3.1 2,-0.2 5,-0.2 0.925 106.0 49.3 -62.4 -48.2 -26.2 22.6 34.9 134 163 A V H X S+ 0 0 26 -4,-2.6 4,-2.7 2,-0.2 5,-0.3 0.897 111.1 52.5 -58.4 -40.5 -28.6 24.2 32.4 135 164 A K H X S+ 0 0 106 -4,-1.7 4,-1.6 -5,-0.2 -2,-0.2 0.957 114.2 40.1 -60.2 -52.9 -25.5 25.8 30.8 136 165 A D H X S+ 0 0 8 -4,-2.6 4,-2.6 1,-0.2 5,-0.4 0.851 116.2 51.4 -67.1 -35.0 -23.7 22.5 30.4 137 166 A A H X S+ 0 0 1 -4,-3.1 4,-2.1 2,-0.2 -2,-0.2 0.928 110.2 46.8 -69.0 -45.8 -26.8 20.6 29.4 138 167 A N H < S+ 0 0 95 -4,-2.7 -1,-0.2 -5,-0.2 -2,-0.2 0.853 118.6 44.5 -63.9 -33.3 -27.8 23.0 26.7 139 168 A A H < S+ 0 0 64 -4,-1.6 -2,-0.2 -5,-0.3 -1,-0.2 0.944 134.2 7.1 -77.0 -52.5 -24.3 23.0 25.3 140 169 A H H < S- 0 0 77 -4,-2.6 79,-1.4 -5,-0.2 -3,-0.2 0.385 106.5-105.0-117.8 3.4 -23.3 19.3 25.4 141 170 A G < - 0 0 17 -4,-2.1 79,-1.3 -5,-0.4 78,-0.5 0.157 22.3-144.3 92.8 152.7 -26.4 17.3 26.4 142 171 A F E +j 220 0D 0 57,-0.3 2,-0.3 77,-0.2 79,-0.2 -0.944 23.1 159.2-156.8 132.6 -27.9 15.5 29.3 143 172 A M E +j 221 0D 28 77,-1.2 79,-0.8 -2,-0.3 2,-0.3 -0.984 1.7 154.0-152.9 156.1 -30.1 12.4 29.3 144 173 A Y - 0 0 0 -2,-0.3 2,-3.3 77,-0.2 3,-0.2 -0.958 63.0 -63.3-169.4 175.9 -31.1 9.7 31.8 145 174 A D > + 0 0 42 77,-0.4 3,-2.0 -2,-0.3 7,-0.3 -0.365 63.1 175.6 -72.1 66.5 -33.8 7.1 32.6 146 175 A Q T 3 + 0 0 4 -2,-3.3 -1,-0.2 1,-0.3 59,-0.1 0.679 68.1 46.3 -49.2 -35.0 -36.2 10.1 33.1 147 176 A A T 3 S+ 0 0 23 57,-0.3 2,-0.7 -3,-0.2 -1,-0.3 0.242 87.1 103.6 -98.6 15.5 -39.5 8.2 33.7 148 177 A N X> - 0 0 36 -3,-2.0 4,-2.6 1,-0.1 3,-1.4 -0.876 63.5-151.0 -98.1 114.5 -37.9 5.8 36.2 149 178 A L H 3> S+ 0 0 0 -2,-0.7 4,-1.9 1,-0.3 5,-0.2 0.830 92.9 68.3 -54.0 -35.8 -38.9 6.8 39.7 150 179 A Y H 34 S+ 0 0 33 1,-0.2 105,-0.6 2,-0.2 -1,-0.3 0.883 115.1 27.1 -53.0 -38.5 -35.7 5.3 41.1 151 180 A F H X4 S+ 0 0 21 -3,-1.4 3,-1.2 -6,-0.3 4,-0.2 0.879 120.8 49.4 -93.1 -44.4 -33.8 8.1 39.3 152 181 A D H >X S+ 0 0 0 -4,-2.6 4,-1.7 -7,-0.3 3,-1.3 0.611 87.8 83.8 -76.6 -5.2 -36.3 11.0 39.1 153 182 A Y H 3X S+ 0 0 11 -4,-1.9 4,-3.6 -5,-0.3 5,-0.4 0.800 76.7 74.0 -63.0 -25.5 -37.2 10.8 42.8 154 183 A A H <> S+ 0 0 0 -3,-1.2 99,-2.2 1,-0.2 4,-0.8 0.874 103.9 37.3 -53.7 -38.4 -34.0 12.9 43.2 155 184 A I H <> S+ 0 0 0 -3,-1.3 4,-1.2 -4,-0.2 -1,-0.2 0.904 116.0 52.3 -79.9 -45.1 -36.0 15.8 41.9 156 185 A I H ><>S+ 0 0 0 -4,-1.7 5,-2.4 1,-0.2 3,-0.9 0.945 112.1 45.2 -56.6 -51.8 -39.3 14.9 43.5 157 186 A G H ><5S+ 0 0 12 -4,-3.6 3,-1.6 1,-0.3 -1,-0.2 0.840 106.1 62.2 -62.8 -31.6 -37.8 14.6 46.9 158 187 A G H 3<5S+ 0 0 6 -4,-0.8 -1,-0.3 -5,-0.4 -2,-0.2 0.806 103.8 49.1 -63.9 -28.6 -35.9 17.9 46.3 159 188 A Y T <<5S- 0 0 46 -4,-1.2 -1,-0.3 -3,-0.9 -2,-0.2 0.253 130.4 -91.8 -94.8 12.1 -39.3 19.6 46.0 160 189 A G T < 5S+ 0 0 50 -3,-1.6 -3,-0.2 1,-0.3 23,-0.2 0.505 82.1 137.5 93.8 3.4 -40.7 18.1 49.2 161 190 A G < + 0 0 5 -5,-2.4 -1,-0.3 -6,-0.2 2,-0.3 -0.423 26.4 178.6 -79.8 161.2 -42.3 15.1 47.7 162 191 A Y E -K 177 0E 65 15,-1.1 15,-1.1 1,-0.2 3,-0.2 -0.980 31.1-134.8-157.2 157.5 -42.0 11.7 49.3 163 192 A V E S+ 0 0 5 1,-0.3 14,-0.8 -2,-0.3 2,-0.4 0.972 90.2 2.7 -80.8 -67.5 -43.3 8.1 48.7 164 193 A F E S-K 176 0E 11 12,-0.2 -1,-0.3 13,-0.1 12,-0.2 -0.976 87.9-103.8-122.1 136.0 -44.5 7.0 52.2 165 194 A K E -K 172 0E 79 10,-2.2 7,-2.5 7,-0.9 2,-0.6 -0.368 31.5-140.5 -61.0 128.4 -44.5 9.3 55.2 166 195 A D E -K 171 0E 94 5,-0.2 2,-0.6 -2,-0.1 5,-0.2 -0.832 18.5-175.4 -94.8 118.0 -41.6 8.5 57.5 167 196 A N E > S-K 170 0E 68 3,-3.1 3,-1.4 -2,-0.6 -2,-0.0 -0.768 72.3 -47.6-116.0 84.7 -42.6 8.7 61.2 168 197 A N T 3 S- 0 0 166 -2,-0.6 -1,-0.1 1,-0.3 3,-0.1 0.939 121.2 -36.8 55.9 53.2 -39.5 8.1 63.3 169 198 A G T 3 S+ 0 0 61 1,-0.2 2,-0.5 0, 0.0 -1,-0.3 0.082 120.0 104.7 91.4 -25.3 -38.4 5.0 61.3 170 199 A T E < -K 167 0E 102 -3,-1.4 -3,-3.1 2,-0.0 2,-0.3 -0.814 63.5-142.1 -95.7 124.8 -42.0 3.7 60.8 171 200 A L E -K 166 0E 47 -2,-0.5 -5,-0.2 -5,-0.2 -6,-0.1 -0.667 1.7-147.5 -87.8 138.3 -43.4 4.1 57.3 172 201 A D E > -K 165 0E 52 -7,-2.5 3,-2.3 -2,-0.3 -7,-0.9 -0.841 8.5-170.1-106.0 95.6 -47.0 5.0 56.8 173 202 A P E 3 S+ 0 0 27 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 0.552 86.5 60.6 -62.8 -4.2 -48.2 3.4 53.5 174 203 A N E 3 S+ 0 0 141 1,-0.2 2,-0.7 -9,-0.1 -10,-0.0 0.500 92.2 69.3 -99.1 -7.2 -51.4 5.4 53.9 175 204 A N E < + 0 0 52 -3,-2.3 -10,-2.2 -10,-0.1 2,-0.4 -0.794 66.9 173.4-114.0 85.9 -49.6 8.8 53.7 176 205 A I E -K 164 0E 17 -2,-0.7 3,-0.2 -12,-0.2 -12,-0.2 -0.790 17.5-168.8 -95.8 133.3 -48.3 9.1 50.2 177 206 A G E > +K 162 0E 0 -15,-1.1 -15,-1.1 -14,-0.8 3,-0.5 -0.059 55.8 106.0-113.8 34.7 -46.7 12.3 49.1 178 207 A L T 3 S+ 0 0 0 -15,-0.3 -1,-0.2 1,-0.2 183,-0.1 0.345 83.9 45.0 -93.4 6.6 -46.4 11.9 45.4 179 208 A D T 3 S+ 0 0 67 -3,-0.2 -1,-0.2 181,-0.1 -2,-0.1 0.058 81.7 122.9-135.0 24.3 -49.3 14.3 44.6 180 209 A T S <> S- 0 0 33 -3,-0.5 4,-2.3 -18,-0.1 3,-0.3 -0.411 80.5-101.4 -80.3 162.8 -48.4 17.2 47.0 181 210 A P H > S+ 0 0 109 0, 0.0 4,-1.4 0, 0.0 5,-0.1 0.822 124.8 55.2 -56.7 -28.7 -47.9 20.7 45.5 182 211 A G H > S+ 0 0 16 2,-0.2 4,-1.5 1,-0.2 -21,-0.2 0.925 106.9 47.9 -69.2 -44.1 -44.2 20.1 45.8 183 212 A A H > S+ 0 0 0 -3,-0.3 4,-2.5 1,-0.2 5,-0.2 0.917 107.9 55.8 -62.1 -43.9 -44.3 16.9 43.7 184 213 A V H X S+ 0 0 16 -4,-2.3 4,-1.6 1,-0.3 -1,-0.2 0.877 105.9 51.6 -56.5 -38.8 -46.4 18.5 41.1 185 214 A Q H X S+ 0 0 108 -4,-1.4 4,-1.7 -5,-0.2 -1,-0.3 0.866 109.0 51.2 -66.0 -35.6 -43.7 21.2 40.7 186 215 A A H X S+ 0 0 0 -4,-1.5 4,-2.1 1,-0.2 -2,-0.2 0.921 107.9 51.1 -66.7 -44.0 -41.2 18.4 40.3 187 216 A Y H X S+ 0 0 0 -4,-2.5 4,-1.9 1,-0.2 -1,-0.2 0.828 107.4 55.3 -62.7 -32.2 -43.2 16.7 37.6 188 217 A T H X S+ 0 0 42 -4,-1.6 4,-2.7 -5,-0.2 -1,-0.2 0.914 107.5 47.6 -67.6 -43.2 -43.5 20.1 35.8 189 218 A L H X S+ 0 0 13 -4,-1.7 4,-1.7 1,-0.2 -2,-0.2 0.880 110.0 53.7 -64.7 -37.0 -39.7 20.4 35.7 190 219 A M H < S+ 0 0 1 -4,-2.1 4,-0.3 1,-0.2 -1,-0.2 0.898 109.9 48.0 -63.1 -39.2 -39.5 16.9 34.4 191 220 A R H >X S+ 0 0 72 -4,-1.9 4,-2.4 1,-0.2 3,-1.9 0.933 107.9 55.3 -65.3 -46.3 -41.9 17.9 31.7 192 221 A D H 3X>S+ 0 0 41 -4,-2.7 5,-2.9 1,-0.3 4,-2.0 0.804 92.1 69.8 -57.8 -33.4 -39.8 21.0 30.9 193 222 A M H 3<5S+ 0 0 3 -4,-1.7 6,-1.9 3,-0.2 7,-1.4 0.697 115.9 27.1 -60.3 -15.7 -36.6 19.0 30.3 194 223 A V H <45S+ 0 0 9 -3,-1.9 -2,-0.2 -4,-0.3 -1,-0.2 0.795 125.8 41.3-109.0 -54.2 -38.4 17.7 27.2 195 224 A S H <5S+ 0 0 40 -4,-2.4 -3,-0.2 152,-0.1 -2,-0.2 0.765 133.2 12.1 -71.6 -30.0 -40.8 20.4 26.1 196 225 A K T <5S+ 0 0 116 -4,-2.0 -3,-0.2 -5,-0.3 -1,-0.1 0.746 133.4 38.9-117.8 -38.5 -38.7 23.5 26.6 197 226 A Y S - 0 0 74 -2,-0.3 3,-1.7 -3,-0.1 147,-0.1 -0.751 40.1-101.0-111.9 163.1 -37.6 13.4 23.9 202 231 A P T 3 S+ 0 0 52 0, 0.0 146,-0.1 0, 0.0 145,-0.1 0.710 124.0 57.6 -57.8 -15.2 -40.5 11.6 25.5 203 232 A S T 3 S+ 0 0 75 2,-0.0 5,-0.1 145,-0.0 2,-0.1 0.652 77.6 111.7 -89.0 -19.0 -38.9 8.5 24.0 204 233 A T < + 0 0 8 -3,-1.7 -57,-0.3 4,-0.1 2,-0.2 -0.336 39.8 161.6 -61.6 133.4 -35.5 8.8 25.8 205 234 A N > - 0 0 63 -60,-0.1 4,-2.4 -59,-0.1 5,-0.2 -0.727 55.8 -76.9-137.2-173.5 -34.8 6.1 28.4 206 235 A G H > S+ 0 0 15 -2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.873 125.1 54.8 -58.6 -39.9 -31.9 4.6 30.3 207 236 A S H > S+ 0 0 96 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.912 112.0 42.2 -60.6 -46.9 -30.7 2.5 27.3 208 237 A I H > S+ 0 0 63 2,-0.2 4,-2.8 1,-0.2 5,-0.2 0.926 113.5 52.3 -67.6 -46.0 -30.6 5.5 24.9 209 238 A A H X S+ 0 0 0 -4,-2.4 4,-2.3 1,-0.2 -2,-0.2 0.929 111.9 46.4 -56.6 -46.7 -28.9 7.8 27.5 210 239 A K H X S+ 0 0 45 -4,-2.5 4,-2.7 2,-0.2 -1,-0.2 0.927 112.9 49.0 -62.6 -45.9 -26.2 5.2 28.2 211 240 A A H X S+ 0 0 56 -4,-2.1 4,-1.2 1,-0.2 -2,-0.2 0.915 111.9 49.0 -60.4 -44.4 -25.6 4.5 24.5 212 241 A E H <>S+ 0 0 57 -4,-2.8 5,-2.4 1,-0.2 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34.6-104.9-145.1 150.9 -20.4 14.4 40.6 242 271 A P - 0 0 26 0, 0.0 -127,-0.1 0, 0.0 75,-0.1 -0.149 52.9 -77.0 -69.2 169.4 -23.5 14.7 42.7 243 272 A W - 0 0 13 -129,-0.3 9,-0.2 73,-0.1 3,-0.1 -0.370 54.9-115.9 -61.2 148.4 -26.8 16.1 41.5 244 273 A P - 0 0 2 0, 0.0 8,-0.4 0, 0.0 -115,-0.2 -0.359 41.3 -83.9 -79.4 169.4 -26.6 19.9 41.2 245 274 A T - 0 0 25 -117,-2.1 6,-0.2 6,-0.2 -115,-0.1 -0.435 53.6-112.9 -69.6 153.1 -28.9 21.9 43.5 246 275 A L > - 0 0 2 4,-3.4 3,-2.7 -117,-0.1 -116,-0.3 -0.315 31.8 -93.2 -82.7 169.4 -32.4 22.3 41.9 247 276 A P T 3 S+ 0 0 62 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.651 125.5 62.9 -59.1 -12.0 -33.9 25.6 40.7 248 277 A N T 3 S- 0 0 58 2,-0.2 3,-0.1 -118,-0.0 -2,-0.0 0.331 119.3-111.4 -92.7 8.2 -35.5 26.0 44.1 249 278 A G S < S+ 0 0 57 -3,-2.7 2,-0.2 1,-0.3 -4,-0.1 0.489 79.2 124.9 77.6 3.2 -32.0 26.1 45.6 250 279 A K - 0 0 125 1,-0.1 -4,-3.4 -92,-0.1 -1,-0.3 -0.579 65.7-106.2 -94.8 158.2 -32.5 22.8 47.4 251 280 A H - 0 0 85 -6,-0.2 -6,-0.2 -2,-0.2 2,-0.1 -0.560 36.3-112.4 -80.8 144.6 -30.3 19.7 47.1 252 281 A A - 0 0 5 -8,-0.4 -97,-0.2 -2,-0.2 -98,-0.1 -0.421 24.1-140.2 -72.0 155.0 -31.6 16.7 45.1 253 282 A T - 0 0 23 -99,-2.2 -96,-0.2 -100,-0.3 72,-0.2 -0.669 20.8-173.2-122.0 77.6 -32.5 13.7 47.2 254 283 A P - 0 0 3 0, 0.0 71,-2.3 0, 0.0 2,-0.1 -0.192 31.9 -98.9 -64.9 162.6 -31.5 10.4 45.4 255 284 A F E -l 325 0F 5 -105,-0.6 2,-0.5 69,-0.2 -141,-0.5 -0.463 25.8-133.6 -78.5 154.3 -32.4 7.1 46.9 256 285 A L E -l 326 0F 8 69,-2.1 71,-1.9 -2,-0.1 2,-0.4 -0.953 25.6-165.8-107.6 125.5 -29.9 5.1 48.9 257 286 A G E - D 0 112A 1 -145,-3.0 -145,-3.5 -2,-0.5 2,-0.5 -0.923 9.6-154.9-115.6 140.5 -29.9 1.5 47.7 258 287 A V E - D 0 111A 0 -2,-0.4 -193,-2.5 -147,-0.2 2,-0.5 -0.973 11.9-143.9-114.9 123.2 -28.4 -1.4 49.6 259 288 A I E -CD 64 110A 2 -149,-2.7 -150,-3.2 -2,-0.5 -149,-1.3 -0.762 29.5-170.1 -87.5 129.1 -27.3 -4.5 47.6 260 289 A T E -CD 63 108A 0 -197,-2.6 -197,-2.3 -2,-0.5 -198,-0.9 -0.692 25.2-150.4-122.0 170.2 -27.9 -7.7 49.5 261 290 A A E +CD 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68.7 55.3 -62.2 -35.1 -28.8 -23.6 54.9 271 300 A A H > S+ 0 0 90 -3,-0.2 4,-1.4 1,-0.2 -1,-0.2 0.950 114.9 40.6 -62.7 -45.9 -25.8 -24.0 57.2 272 301 A A H > S+ 0 0 25 1,-0.2 4,-2.2 2,-0.2 -2,-0.2 0.895 111.2 59.0 -66.7 -40.9 -23.6 -24.4 54.1 273 302 A D H X S+ 0 0 0 -4,-2.8 4,-2.5 1,-0.2 -2,-0.2 0.906 106.5 46.5 -54.3 -46.4 -25.5 -21.6 52.3 274 303 A W H X S+ 0 0 17 -4,-2.4 4,-2.5 2,-0.2 -1,-0.2 0.840 108.3 55.6 -67.9 -33.2 -24.7 -19.1 55.0 275 304 A S H X S+ 0 0 37 -4,-1.4 4,-1.4 2,-0.2 -1,-0.2 0.898 110.6 46.5 -63.8 -40.0 -21.0 -20.1 55.1 276 305 A L H X S+ 0 0 0 -4,-2.2 4,-2.3 2,-0.2 -2,-0.2 0.924 109.8 52.9 -66.8 -45.4 -21.0 -19.4 51.3 277 306 A V H X S+ 0 0 0 -4,-2.5 4,-1.2 1,-0.2 -2,-0.2 0.908 106.2 54.1 -56.5 -43.0 -22.8 -16.0 51.8 278 307 A Q H < S+ 0 0 92 -4,-2.5 4,-0.3 1,-0.2 3,-0.3 0.878 109.0 48.6 -61.3 -36.6 -20.2 -15.0 54.4 279 308 A A H >< S+ 0 0 28 -4,-1.4 3,-0.7 1,-0.2 -1,-0.2 0.897 112.3 48.3 -69.4 -40.2 -17.4 -15.7 51.9 280 309 A L H 3< S+ 0 0 1 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.610 119.3 38.7 -75.4 -12.5 -19.2 -13.7 49.1 281 310 A T T 3< S+ 0 0 12 -4,-1.2 -1,-0.2 -3,-0.3 -2,-0.2 0.210 87.3 122.4-124.5 16.4 -19.9 -10.7 51.4 282 311 A S S <> S- 0 0 45 -3,-0.7 4,-2.8 -4,-0.3 5,-0.2 -0.144 78.0-101.4 -74.4 171.9 -16.7 -10.5 53.5 283 312 A A H > S+ 0 0 36 1,-0.2 4,-1.6 2,-0.2 5,-0.1 0.907 125.7 51.5 -60.0 -41.8 -14.3 -7.5 53.7 284 313 A Q H > S+ 0 0 121 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.907 110.3 48.6 -61.2 -43.4 -12.0 -9.2 51.3 285 314 A A H > S+ 0 0 1 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.941 108.8 52.4 -62.1 -48.5 -14.8 -9.8 48.9 286 315 A Q H X S+ 0 0 1 -4,-2.8 4,-1.4 1,-0.2 -1,-0.2 0.815 105.7 55.2 -60.6 -30.1 -16.0 -6.2 49.1 287 316 A Q H X S+ 0 0 91 -4,-1.6 4,-1.7 -5,-0.2 -1,-0.2 0.909 108.9 48.3 -67.3 -41.6 -12.5 -5.0 48.3 288 317 A M H X S+ 0 0 39 -4,-1.6 4,-0.6 1,-0.2 -2,-0.2 0.911 108.6 52.6 -64.7 -43.7 -12.6 -7.1 45.1 289 318 A Y H X S+ 0 0 8 -4,-2.4 6,-0.9 1,-0.2 4,-0.6 0.811 109.1 51.5 -62.4 -30.6 -16.0 -5.8 44.0 290 319 A F H X S+ 0 0 18 -4,-1.4 4,-1.7 -5,-0.2 -1,-0.2 0.881 90.0 82.5 -73.1 -38.7 -14.7 -2.3 44.4 291 320 A R H < S+ 0 0 116 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.780 109.6 7.6 -33.4 -58.6 -11.6 -2.9 42.2 292 321 A D H < S+ 0 0 62 -4,-0.6 -1,-0.2 -3,-0.2 -2,-0.1 0.905 135.3 37.1 -98.9 -53.1 -13.2 -2.4 38.8 293 322 A S H < S- 0 0 3 -4,-0.6 -65,-0.3 -65,-0.1 -2,-0.2 0.654 95.2-129.0 -76.3 -16.0 -16.7 -1.2 39.0 294 323 A Q < + 0 0 33 -4,-1.7 2,-0.3 -5,-0.3 -4,-0.2 0.790 39.4 178.5 70.2 29.3 -16.0 1.1 42.0 295 324 A Q - 0 0 4 -6,-0.9 -1,-0.2 -70,-0.1 -183,-0.1 -0.495 31.7-120.3 -64.4 123.8 -18.9 -0.5 43.9 296 325 A I - 0 0 3 -185,-0.5 -185,-2.1 -2,-0.3 -1,-0.1 -0.524 28.2-122.6 -71.3 123.0 -19.0 1.2 47.3 297 326 A P B -E 110 0A 1 0, 0.0 -187,-0.3 0, 0.0 -1,-0.1 -0.320 4.5-143.5 -67.0 148.8 -18.6 -1.4 50.1 298 327 A A S S+ 0 0 0 -189,-1.5 -207,-0.5 -39,-0.1 2,-0.3 0.805 79.0 89.7 -78.1 -33.2 -21.3 -1.7 52.8 299 328 A L S >> S- 0 0 12 -190,-0.4 4,-1.7 1,-0.1 3,-0.5 -0.519 72.4-145.8 -68.9 126.3 -18.7 -2.4 55.5 300 329 A L H 3> S+ 0 0 40 -211,-2.5 4,-1.2 -2,-0.3 -1,-0.1 0.845 96.2 59.4 -61.0 -35.3 -17.5 0.8 57.1 301 330 A S H 34 S+ 0 0 80 -212,-0.4 -1,-0.2 1,-0.2 4,-0.2 0.848 107.8 44.2 -65.2 -33.8 -14.0 -0.6 57.6 302 331 A V H X4 S+ 0 0 9 -3,-0.5 3,-1.5 1,-0.2 6,-0.3 0.835 106.3 60.6 -80.3 -29.3 -13.5 -1.1 53.9 303 332 A Q H 3< S+ 0 0 23 -4,-1.7 -1,-0.2 1,-0.3 -2,-0.2 0.811 100.4 58.7 -63.0 -27.8 -15.0 2.3 53.1 304 333 A R T 3< S+ 0 0 163 -4,-1.2 -1,-0.3 -5,-0.2 -2,-0.2 0.545 78.4 114.0 -79.6 -8.3 -12.1 3.7 55.1 305 334 A S S <> S- 0 0 42 -3,-1.5 4,-2.6 -4,-0.2 3,-0.4 -0.341 76.1-122.4 -62.9 146.9 -9.4 2.1 52.9 306 335 A S H > S+ 0 0 101 1,-0.2 4,-2.0 2,-0.2 -1,-0.1 0.864 110.1 58.7 -59.7 -38.5 -7.3 4.7 51.1 307 336 A A H 4 S+ 0 0 56 1,-0.2 4,-0.3 2,-0.2 -1,-0.2 0.898 112.6 40.1 -59.2 -40.0 -8.2 3.3 47.7 308 337 A V H >4 S+ 0 0 2 -3,-0.4 3,-1.4 -6,-0.3 6,-0.3 0.920 111.3 55.9 -74.9 -45.5 -11.9 3.8 48.4 309 338 A Q H 3< S+ 0 0 100 -4,-2.6 -2,-0.2 1,-0.3 -1,-0.2 0.816 110.5 46.6 -56.9 -31.8 -11.5 7.2 50.1 310 339 A S T 3< S+ 0 0 97 -4,-2.0 -1,-0.3 -5,-0.2 -2,-0.2 0.472 87.4 108.7 -92.6 -1.8 -9.7 8.6 47.0 311 340 A S <> - 0 0 5 -3,-1.4 4,-2.0 -4,-0.3 5,-0.1 -0.470 69.9-132.4 -78.6 145.9 -12.1 7.3 44.3 312 341 A P H > S+ 0 0 59 0, 0.0 4,-2.0 0, 0.0 5,-0.2 0.869 107.2 56.5 -62.9 -34.5 -14.3 9.7 42.4 313 342 A T H > S+ 0 0 8 1,-0.2 4,-1.9 2,-0.2 5,-0.1 0.919 108.3 45.6 -63.5 -44.5 -17.3 7.5 43.0 314 343 A F H > S+ 0 0 12 -6,-0.3 4,-3.0 1,-0.2 5,-0.2 0.874 108.5 57.4 -68.2 -35.8 -16.9 7.5 46.8 315 344 A K H X S+ 0 0 116 -4,-2.0 4,-1.4 2,-0.2 -1,-0.2 0.930 109.3 44.2 -61.0 -44.8 -16.4 11.3 46.8 316 345 A A H X S+ 0 0 1 -4,-2.0 4,-1.3 2,-0.2 -1,-0.2 0.921 113.7 53.4 -64.6 -41.0 -19.8 11.9 45.1 317 346 A F H >X S+ 0 0 12 -4,-1.9 4,-2.1 1,-0.2 3,-0.6 0.942 108.0 47.8 -57.4 -52.1 -21.3 9.3 47.5 318 347 A V H 3< S+ 0 0 71 -4,-3.0 4,-0.4 1,-0.2 -1,-0.2 0.787 110.9 52.0 -64.1 -27.4 -20.0 11.0 50.6 319 348 A E H 3< S+ 0 0 77 -4,-1.4 -1,-0.2 -5,-0.2 -2,-0.2 0.739 118.4 35.8 -81.2 -22.4 -21.3 14.4 49.5 320 349 A Q H XX S+ 0 0 9 -4,-1.3 3,-2.0 -3,-0.6 4,-1.1 0.608 91.7 93.2-102.5 -16.9 -24.8 13.1 48.7 321 350 A L G >< S+ 0 0 65 -4,-2.1 3,-1.0 1,-0.3 -2,-0.1 0.862 82.4 51.5 -47.8 -49.4 -25.2 10.6 51.6 322 351 A R G 34 S+ 0 0 194 -4,-0.4 -1,-0.3 1,-0.3 -2,-0.1 0.642 114.4 45.7 -68.2 -9.9 -26.8 12.9 54.1 323 352 A Y G <4 S+ 0 0 73 -3,-2.0 -1,-0.3 2,-0.0 -2,-0.2 0.530 91.1 106.0-104.3 -11.5 -29.4 13.9 51.5 324 353 A A << - 0 0 15 -4,-1.1 -69,-0.2 -3,-1.0 -71,-0.1 -0.392 60.1-145.1 -72.4 146.8 -30.1 10.4 50.3 325 354 A V E -l 255 0F 49 -71,-2.3 -69,-2.1 -72,-0.2 2,-0.1 -0.952 18.0-123.6-114.8 121.0 -33.3 8.6 51.2 326 355 A P E -l 256 0F 48 0, 0.0 -69,-0.2 0, 0.0 3,-0.1 -0.393 34.1-109.2 -63.7 134.8 -33.3 4.8 51.8 327 356 A M - 0 0 10 -71,-1.9 -69,-0.1 1,-0.1 2,-0.1 -0.352 36.7-106.3 -61.7 141.2 -35.8 3.1 49.5 328 357 A P - 0 0 13 0, 0.0 -259,-0.1 0, 0.0 -1,-0.1 -0.423 26.9-161.7 -66.1 145.7 -38.8 1.7 51.5 329 358 A N + 0 0 22 -230,-0.1 -260,-0.3 -261,-0.1 -259,-0.1 0.325 49.6 116.6-112.3 8.3 -38.5 -2.1 51.8 330 359 A I S > S- 0 0 36 -261,-0.1 3,-2.1 1,-0.1 4,-0.3 -0.410 79.4-109.2 -75.1 153.8 -42.2 -2.8 52.6 331 360 A P T > S+ 0 0 15 0, 0.0 3,-1.9 0, 0.0 4,-0.4 0.834 113.9 66.7 -48.9 -40.0 -44.3 -4.9 50.2 332 361 A Q T >> S+ 0 0 45 1,-0.3 4,-0.9 2,-0.2 3,-0.9 0.700 81.7 76.7 -59.3 -20.9 -46.3 -1.8 49.1 333 362 A M H <> S+ 0 0 0 -3,-2.1 4,-1.7 1,-0.3 3,-0.4 0.813 87.0 61.1 -62.0 -27.0 -43.2 -0.3 47.5 334 363 A Q H <> S+ 0 0 26 -3,-1.9 4,-2.0 -4,-0.3 -1,-0.3 0.847 96.3 58.8 -68.2 -31.4 -43.7 -2.7 44.6 335 364 A A H <> S+ 0 0 0 -3,-0.9 4,-0.7 -4,-0.4 -1,-0.2 0.821 104.8 53.2 -64.8 -29.0 -47.1 -1.2 43.9 336 365 A V H >X S+ 0 0 0 -4,-0.9 3,-1.0 -3,-0.4 4,-0.7 0.945 106.8 48.3 -70.5 -49.8 -45.2 2.1 43.5 337 366 A W H >< S+ 0 0 40 -4,-1.7 3,-0.5 1,-0.2 -2,-0.2 0.865 112.3 51.5 -59.3 -36.5 -42.8 0.8 40.9 338 367 A Q H 3< S+ 0 0 129 -4,-2.0 3,-0.3 1,-0.2 -1,-0.2 0.645 109.5 47.2 -77.9 -14.7 -45.6 -0.8 38.9 339 368 A A H X< S+ 0 0 8 -3,-1.0 3,-1.5 -4,-0.7 -1,-0.2 0.429 86.2 98.0-101.3 -2.2 -47.7 2.4 38.8 340 369 A M T X< + 0 0 41 -4,-0.7 3,-2.1 -3,-0.5 4,-0.4 0.671 56.8 83.3 -58.0 -25.4 -44.6 4.3 37.7 341 370 A S T >> S+ 0 0 80 1,-0.3 3,-1.4 -3,-0.3 4,-0.7 0.751 74.9 74.9 -55.0 -24.7 -45.5 4.2 34.0 342 371 A I H X> S+ 0 0 22 -3,-1.5 4,-1.6 1,-0.3 3,-0.6 0.801 81.8 69.1 -59.7 -29.0 -47.8 7.2 34.5 343 372 A L H <> S+ 0 0 1 -3,-2.1 4,-2.3 1,-0.3 -1,-0.3 0.825 92.8 57.5 -60.2 -31.3 -44.6 9.4 34.7 344 373 A Q H <> S+ 0 0 97 -3,-1.4 4,-2.1 -4,-0.4 -1,-0.3 0.852 103.5 53.1 -68.9 -31.6 -44.1 8.8 31.0 345 374 A N H S+ 0 0 60 -4,-0.7 5,-2.4 -3,-0.6 6,-1.1 0.878 109.6 48.2 -69.0 -37.3 -47.5 10.2 30.3 346 375 A I H ><5S+ 0 0 2 -4,-1.6 3,-0.7 3,-0.2 -2,-0.2 0.924 113.5 47.0 -67.7 -43.4 -46.6 13.4 32.2 347 376 A I H 3<5S+ 0 0 3 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.845 112.8 49.3 -66.2 -35.9 -43.3 13.7 30.4 348 377 A A H 3<5S- 0 0 19 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.516 112.8-119.4 -82.1 -6.6 -45.0 13.1 27.1 349 378 A G T <<5S+ 0 0 41 -3,-0.7 -3,-0.2 -4,-0.5 -4,-0.1 0.718 76.3 128.5 76.2 19.9 -47.6 15.7 27.8 350 379 A K S - 0 0 55 -2,-0.3 4,-3.2 1,-0.1 5,-0.3 -0.440 33.1-112.9 -78.6 157.8 -50.9 17.6 32.9 353 382 A P H > S+ 0 0 20 0, 0.0 4,-2.0 0, 0.0 5,-0.1 0.862 116.6 55.0 -59.0 -33.4 -48.6 17.3 35.9 354 383 A E H > S+ 0 0 107 2,-0.2 4,-1.3 1,-0.2 -170,-0.0 0.968 115.9 34.6 -62.5 -55.9 -51.6 18.1 38.2 355 384 A Q H > S+ 0 0 89 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.865 115.2 57.3 -68.5 -38.4 -53.8 15.4 36.9 356 385 A G H X S+ 0 0 0 -4,-3.2 4,-2.4 1,-0.2 -1,-0.2 0.899 103.7 53.8 -59.9 -40.3 -50.9 13.0 36.4 357 386 A A H X S+ 0 0 1 -4,-2.0 4,-2.0 -5,-0.3 -1,-0.2 0.910 110.4 47.3 -59.9 -42.3 -50.0 13.3 40.0 358 387 A K H X S+ 0 0 107 -4,-1.3 4,-2.1 1,-0.2 -2,-0.2 0.908 112.3 47.8 -66.7 -44.4 -53.5 12.4 41.0 359 388 A D H X S+ 0 0 47 -4,-2.5 4,-2.2 2,-0.2 -1,-0.2 0.863 109.8 55.2 -64.2 -37.5 -53.7 9.4 38.7 360 389 A F H X S+ 0 0 0 -4,-2.4 4,-1.3 -5,-0.2 -2,-0.2 0.964 110.3 43.2 -61.0 -54.6 -50.3 8.2 39.9 361 390 A V H X S+ 0 0 8 -4,-2.0 4,-2.4 1,-0.2 -1,-0.2 0.874 113.3 52.2 -61.6 -39.1 -51.3 8.1 43.6 362 391 A Q H X S+ 0 0 77 -4,-2.1 4,-2.0 1,-0.2 -1,-0.2 0.900 108.2 50.7 -65.8 -39.4 -54.6 6.5 42.8 363 392 A N H X S+ 0 0 63 -4,-2.2 4,-1.7 1,-0.2 -1,-0.2 0.771 110.9 50.5 -68.9 -24.7 -53.0 3.7 40.8 364 393 A I H X S+ 0 0 0 -4,-1.3 4,-2.4 2,-0.2 -2,-0.2 0.927 109.2 48.9 -76.3 -47.1 -50.6 3.1 43.7 365 394 A Q H X S+ 0 0 100 -4,-2.4 4,-1.8 1,-0.2 -2,-0.2 0.863 112.6 50.0 -60.3 -35.9 -53.4 2.9 46.3 366 395 A K H X S+ 0 0 112 -4,-2.0 4,-2.1 2,-0.2 -1,-0.2 0.943 109.5 49.8 -67.8 -48.2 -55.3 0.5 44.1 367 396 A G H X S+ 0 0 10 -4,-1.7 4,-1.6 1,-0.2 -2,-0.2 0.879 110.6 50.7 -57.7 -39.2 -52.2 -1.7 43.6 368 397 A I H < S+ 0 0 34 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.879 108.1 52.4 -66.0 -39.0 -51.7 -1.8 47.4 369 398 A M H < S+ 0 0 164 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.869 104.6 57.1 -64.5 -36.4 -55.3 -2.8 47.9 370 399 A A H < S+ 0 0 74 -4,-2.1 -1,-0.2 -5,-0.1 -2,-0.2 0.906 98.2 75.1 -60.7 -42.5 -54.8 -5.6 45.4 371 400 A Q S < S+ 0 0 59 -4,-1.6 -39,-0.0 -5,-0.1 -3,-0.0 -0.060 71.9 60.0 -63.2 171.6 -51.9 -6.9 47.6 372 401 A G 0 0 68 0, 0.0 -1,-0.1 0, 0.0 -4,-0.0 0.993 360.0 360.0 68.7 76.9 -52.7 -8.8 50.8 373 402 A S 0 0 178 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.095 360.0 360.0 58.1 360.0 -54.7 -11.8 49.8