==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSPORT PROTEIN 24-SEP-09 3K02 . COMPND 2 MOLECULE: ACARBOSE/MALTOSE BINDING PROTEIN GACH; . SOURCE 2 ORGANISM_SCIENTIFIC: STREPTOMYCES GLAUCESCENS; . AUTHOR A.VAHEDI-FARIDI,A.LICHT,H.BULUT,E.SCHNEIDER . 388 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16015.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 284 73.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 23 5.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 36 9.3 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.3 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 . 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 . 21 5.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 53 13.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 129 33.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 9 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 2 1 2 0 0 1 2 1 2 1 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 2 1 0 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 PARALLEL BRIDGES PER LADDER . 2 3 0 2 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 ANTIPARALLEL BRIDGES PER LADDER . 2 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 17 A E 0 0 238 0, 0.0 2,-0.5 0, 0.0 286,-0.1 0.000 360.0 360.0 360.0 100.8 25.0 -7.8 0.6 2 18 A L + 0 0 36 284,-0.1 31,-0.4 285,-0.1 2,-0.3 -0.975 360.0 140.7-118.5 133.4 21.3 -7.8 0.8 3 19 A S + 0 0 70 -2,-0.5 31,-0.3 2,-0.1 284,-0.2 -0.967 28.0 47.5-154.9 166.2 18.9 -9.0 -1.9 4 20 A G E S-a 34 0A 30 29,-2.3 31,-2.4 -2,-0.3 2,-0.3 -0.364 83.3 -24.0 100.2-169.9 15.7 -10.9 -2.5 5 21 A T E -a 35 0A 52 29,-0.2 2,-0.4 278,-0.1 31,-0.2 -0.591 39.6-177.9 -87.4 136.7 12.2 -10.9 -1.1 6 22 A V E -a 36 0A 0 29,-2.4 31,-2.6 -2,-0.3 2,-0.6 -0.932 12.9-161.6-127.6 105.0 11.2 -9.8 2.4 7 23 A T E -a 37 0A 28 -2,-0.4 56,-2.5 29,-0.2 55,-1.5 -0.807 8.2-165.1 -86.9 124.5 7.5 -10.4 3.0 8 24 A F E -ab 38 63A 0 29,-2.6 31,-2.6 -2,-0.6 2,-0.7 -0.956 9.6-156.0-117.8 119.3 6.2 -8.3 5.9 9 25 A W E -ab 39 64A 16 54,-2.5 56,-2.6 -2,-0.5 2,-0.4 -0.878 15.9-171.0 -94.8 115.6 2.8 -9.0 7.6 10 26 A D E -a 40 0A 0 29,-3.0 31,-2.9 -2,-0.7 7,-0.0 -0.897 18.2-169.4-107.3 133.0 1.6 -5.8 9.3 11 27 A T + 0 0 6 -2,-0.4 32,-0.5 29,-0.2 -1,-0.1 0.378 42.1 133.3 -98.2 0.6 -1.5 -5.8 11.6 12 28 A S - 0 0 2 30,-0.1 -2,-0.1 4,-0.1 29,-0.1 -0.122 56.4-107.0 -58.6 155.6 -1.8 -2.0 11.9 13 29 A N >> - 0 0 35 225,-0.1 4,-2.3 29,-0.1 3,-0.8 0.002 35.7 -84.4 -82.5-176.8 -5.3 -0.5 11.4 14 30 A E T 34 S+ 0 0 139 1,-0.3 4,-0.4 2,-0.2 -1,-0.1 0.810 128.5 44.8 -59.5 -33.1 -6.9 1.5 8.6 15 31 A A T 34 S+ 0 0 29 223,-0.2 -1,-0.3 1,-0.2 4,-0.2 0.695 120.0 41.2 -81.5 -22.6 -5.5 4.8 9.9 16 32 A E T <> S+ 0 0 10 -3,-0.8 4,-2.0 1,-0.1 3,-0.4 0.704 93.1 80.4 -95.5 -27.1 -2.0 3.4 10.5 17 33 A K H X S+ 0 0 84 -4,-2.3 4,-2.5 1,-0.2 5,-0.2 0.749 85.8 55.4 -68.8 -29.0 -1.4 1.2 7.4 18 34 A A H > S+ 0 0 76 -4,-0.4 4,-2.2 2,-0.2 -1,-0.2 0.925 110.7 47.8 -66.7 -42.0 -0.4 3.8 4.8 19 35 A T H > S+ 0 0 25 -3,-0.4 4,-2.6 -4,-0.2 -2,-0.2 0.946 113.8 46.3 -59.1 -51.3 2.4 5.0 7.1 20 36 A Y H X S+ 0 0 1 -4,-2.0 4,-2.6 1,-0.2 5,-0.2 0.885 110.3 52.6 -65.6 -37.8 3.6 1.5 7.9 21 37 A Q H X S+ 0 0 75 -4,-2.5 4,-2.5 2,-0.2 -1,-0.2 0.934 111.2 47.7 -62.1 -43.3 3.6 0.5 4.2 22 38 A A H X S+ 0 0 61 -4,-2.2 4,-1.7 2,-0.2 -2,-0.2 0.917 112.6 48.2 -62.0 -44.4 5.7 3.6 3.4 23 39 A L H X S+ 0 0 11 -4,-2.6 4,-0.5 2,-0.2 -1,-0.2 0.930 111.6 50.7 -61.1 -46.0 8.2 2.9 6.2 24 40 A A H >< S+ 0 0 0 -4,-2.6 3,-1.5 1,-0.2 4,-0.2 0.938 111.6 46.5 -59.1 -45.9 8.5 -0.8 5.1 25 41 A E H >< S+ 0 0 78 -4,-2.5 3,-2.0 1,-0.3 4,-0.2 0.784 96.3 74.4 -72.6 -20.9 9.1 0.1 1.5 26 42 A G H >X S+ 0 0 9 -4,-1.7 3,-1.5 1,-0.3 4,-0.6 0.715 78.1 77.2 -60.6 -21.8 11.7 2.8 2.6 27 43 A F H < + 0 0 55 -4,-1.2 3,-2.0 -5,-0.2 -1,-0.2 -0.641 63.8 169.0-129.9 72.9 18.8 -1.9 -0.2 32 48 A P T 3 S+ 0 0 92 0, 0.0 -1,-0.1 0, 0.0 -4,-0.1 0.643 74.9 61.7 -65.1 -16.3 17.6 -1.6 -3.8 33 49 A K T 3 S+ 0 0 157 -31,-0.4 -29,-2.3 2,-0.0 2,-0.5 0.465 89.0 87.4 -85.5 -5.5 18.1 -5.3 -4.5 34 50 A V E < -a 4 0A 2 -3,-2.0 2,-0.7 -31,-0.3 -29,-0.2 -0.848 68.8-150.7 -93.1 132.1 15.6 -6.2 -1.8 35 51 A D E -a 5 0A 68 -31,-2.4 -29,-2.4 -2,-0.5 2,-0.6 -0.896 9.4-154.9-102.2 109.1 11.9 -6.5 -2.7 36 52 A V E -a 6 0A 5 -2,-0.7 2,-0.8 -31,-0.2 -29,-0.2 -0.729 4.6-163.5 -83.3 119.7 9.7 -5.6 0.2 37 53 A K E -a 7 0A 99 -31,-2.6 -29,-2.6 -2,-0.6 2,-0.4 -0.905 9.9-159.8-107.6 102.1 6.3 -7.2 -0.1 38 54 A Y E -a 8 0A 30 -2,-0.8 2,-0.4 -31,-0.2 -29,-0.2 -0.653 11.6-179.4 -82.3 132.9 4.0 -5.4 2.3 39 55 A V E -a 9 0A 57 -31,-2.6 -29,-3.0 -2,-0.4 2,-0.5 -0.992 18.7-146.5-133.1 129.2 0.8 -7.2 3.4 40 56 A N E -a 10 0A 49 -2,-0.4 -29,-0.2 -31,-0.2 -31,-0.1 -0.838 17.4-173.2 -90.8 127.8 -1.8 -5.9 5.8 41 57 A V - 0 0 5 -31,-2.9 5,-0.1 -2,-0.5 -2,-0.0 -0.989 31.1-110.1-123.2 119.7 -3.4 -8.7 7.8 42 58 A P >> - 0 0 59 0, 0.0 4,-1.5 0, 0.0 3,-1.4 -0.137 25.8-120.8 -49.1 137.1 -6.4 -7.7 10.1 43 59 A F H 3> S+ 0 0 107 -32,-0.5 4,-0.6 1,-0.3 3,-0.5 0.864 110.0 53.2 -44.4 -48.4 -5.6 -7.8 13.8 44 60 A G H 34 S+ 0 0 75 1,-0.2 -1,-0.3 2,-0.1 4,-0.2 0.689 116.7 37.3 -67.3 -22.2 -8.3 -10.4 14.6 45 61 A E H <> S+ 0 0 124 -3,-1.4 4,-2.8 2,-0.1 -1,-0.2 0.592 95.2 85.3 -99.6 -18.3 -7.1 -12.9 11.9 46 62 A A H X S+ 0 0 0 -4,-1.5 4,-2.6 -3,-0.5 5,-0.2 0.851 85.4 50.2 -68.6 -41.1 -3.3 -12.4 12.2 47 63 A N H X S+ 0 0 29 -4,-0.6 4,-2.4 2,-0.2 -1,-0.2 0.967 118.3 40.0 -58.7 -52.9 -2.4 -14.8 15.0 48 64 A A H > S+ 0 0 67 -4,-0.2 4,-2.6 1,-0.2 -2,-0.2 0.883 114.3 54.2 -63.4 -39.8 -4.3 -17.7 13.4 49 65 A K H X S+ 0 0 102 -4,-2.8 4,-2.2 2,-0.2 -1,-0.2 0.923 110.5 46.1 -62.2 -42.0 -3.1 -16.7 9.9 50 66 A F H X S+ 0 0 0 -4,-2.6 4,-2.9 -5,-0.2 5,-0.3 0.943 113.3 47.9 -67.9 -46.2 0.5 -16.8 11.0 51 67 A K H X S+ 0 0 61 -4,-2.4 4,-2.6 -5,-0.2 5,-0.2 0.884 110.9 52.4 -60.4 -40.8 0.2 -20.2 12.8 52 68 A N H X S+ 0 0 133 -4,-2.6 4,-1.3 2,-0.2 -1,-0.2 0.958 115.5 39.7 -58.5 -50.3 -1.6 -21.7 9.8 53 69 A A H <>S+ 0 0 7 -4,-2.2 5,-2.8 2,-0.2 7,-0.3 0.884 119.1 45.6 -68.4 -41.8 1.1 -20.7 7.4 54 70 A A H ><5S+ 0 0 8 -4,-2.9 3,-0.5 3,-0.2 -1,-0.2 0.888 111.2 52.4 -71.1 -39.1 4.0 -21.4 9.7 55 71 A G H 3<5S+ 0 0 52 -4,-2.6 -1,-0.2 -5,-0.3 -2,-0.2 0.792 120.2 34.8 -67.5 -29.4 2.6 -24.8 10.8 56 72 A G T 3<5S- 0 0 52 -4,-1.3 -1,-0.2 -5,-0.2 -2,-0.2 0.351 104.1-130.4-102.4 0.7 2.3 -25.8 7.1 57 73 A N T < 5 + 0 0 95 -3,-0.5 2,-0.4 -4,-0.3 -3,-0.2 0.929 65.2 128.2 49.7 50.4 5.3 -24.0 6.0 58 74 A S S > - C 0 274A 27 -2,-0.5 3,-1.5 207,-0.2 4,-0.8 -0.243 34.7-106.1 -62.7 151.4 1.7 -8.5 19.5 68 84 A V T >4 S+ 0 0 4 205,-2.1 3,-0.6 1,-0.3 4,-0.5 0.858 120.5 46.8 -51.1 -39.0 3.4 -8.6 22.9 69 85 A A T 3> S+ 0 0 7 204,-0.2 4,-0.9 1,-0.2 280,-0.4 0.665 103.8 63.9 -77.9 -17.7 1.6 -11.8 24.0 70 86 A W H <> S+ 0 0 22 -3,-1.5 4,-3.2 2,-0.2 5,-0.3 0.673 83.4 75.1 -79.7 -19.4 2.2 -13.6 20.7 71 87 A V H S+ 0 0 5 -4,-0.5 4,-2.2 30,-0.2 -1,-0.2 0.869 116.6 57.5 -66.6 -37.8 5.9 -16.5 23.7 73 89 A D H X S+ 0 0 10 -4,-0.9 4,-0.7 272,-0.2 3,-0.3 0.991 116.2 33.0 -47.3 -69.6 2.9 -18.0 21.8 74 90 A F H ><>S+ 0 0 0 -4,-3.2 5,-2.0 1,-0.2 3,-0.7 0.850 117.8 54.0 -62.6 -42.4 4.8 -18.4 18.6 75 91 A A H ><5S+ 0 0 8 -4,-2.9 3,-1.6 -5,-0.3 -1,-0.2 0.876 101.1 58.7 -61.9 -41.2 8.3 -19.0 20.1 76 92 A S H 3<5S+ 0 0 44 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.708 108.8 46.0 -64.4 -22.5 7.1 -22.0 22.2 77 93 A I T <<5S- 0 0 77 -3,-0.7 -1,-0.3 -4,-0.7 -2,-0.2 0.290 119.3-107.5-107.7 8.2 5.9 -23.8 19.1 78 94 A G T < 5S+ 0 0 51 -3,-1.6 -3,-0.2 -4,-0.2 -2,-0.1 0.567 81.2 123.1 88.6 15.5 9.1 -23.1 17.1 79 95 A Y < + 0 0 49 -5,-2.0 201,-2.7 201,-0.1 2,-0.4 0.574 57.1 73.8 -88.1 -11.0 7.8 -20.6 14.6 80 96 A L B S-F 279 0B 6 -6,-0.3 199,-0.2 199,-0.3 31,-0.1 -0.879 75.8-126.4-113.6 136.1 10.3 -17.8 15.4 81 97 A A - 0 0 5 197,-2.9 197,-0.4 -2,-0.4 2,-0.2 -0.559 32.4-117.7 -70.3 130.9 14.0 -17.4 14.6 82 98 A P - 0 0 67 0, 0.0 28,-0.2 0, 0.0 -1,-0.1 -0.519 24.5-161.3 -66.9 143.1 16.1 -16.7 17.6 83 99 A L > + 0 0 0 26,-3.2 3,-2.1 -2,-0.2 6,-0.4 0.569 45.9 120.1-108.6 -11.8 17.7 -13.3 17.2 84 100 A D T 3 S+ 0 0 72 25,-0.5 4,-0.0 1,-0.3 24,-0.0 -0.332 86.3 14.3 -56.1 130.3 20.6 -13.3 19.7 85 101 A G T 3 S+ 0 0 90 1,-0.3 -1,-0.3 4,-0.0 -2,-0.0 0.528 105.2 114.0 79.2 7.4 23.9 -12.8 17.9 86 102 A T S X S- 0 0 26 -3,-2.1 3,-1.3 1,-0.1 -1,-0.3 -0.676 81.9-111.3-104.0 161.7 22.1 -11.6 14.7 87 103 A P T 3 S+ 0 0 81 0, 0.0 -3,-0.1 0, 0.0 -1,-0.1 0.591 105.9 83.5 -65.3 -9.4 22.2 -8.1 13.0 88 104 A A T 3 S+ 0 0 1 -5,-0.2 2,-0.7 1,-0.1 208,-0.1 0.776 81.1 69.2 -62.9 -28.0 18.5 -7.8 14.0 89 105 A L < + 0 0 61 -3,-1.3 2,-0.4 -6,-0.4 3,-0.1 -0.863 61.0 157.1 -98.7 115.7 19.6 -6.6 17.5 90 106 A D S S- 0 0 80 -2,-0.7 -2,-0.0 1,-0.1 -4,-0.0 -0.989 70.9 -8.1-139.4 131.2 21.3 -3.2 17.5 91 107 A D S > S+ 0 0 84 -2,-0.4 3,-0.8 1,-0.1 4,-0.2 0.943 75.1 171.4 44.1 60.8 21.5 -0.9 20.5 92 108 A G G > + 0 0 47 1,-0.2 3,-1.8 2,-0.2 -1,-0.1 0.848 65.3 66.9 -65.9 -37.0 19.2 -3.3 22.5 93 109 A S G 3 S+ 0 0 111 1,-0.3 -1,-0.2 221,-0.1 222,-0.1 0.680 84.8 75.1 -61.5 -20.8 19.7 -1.5 25.9 94 110 A D G < S+ 0 0 13 -3,-0.8 221,-3.3 220,-0.1 -1,-0.3 0.770 78.3 93.6 -61.2 -29.9 17.9 1.6 24.4 95 111 A H B < S-G 314 0C 14 -3,-1.8 219,-0.2 219,-0.3 5,-0.1 -0.400 91.2 -98.5 -72.8 141.9 14.5 -0.2 24.7 96 112 A L >> - 0 0 8 217,-2.8 4,-2.1 1,-0.1 3,-1.0 -0.353 34.2-125.0 -49.6 128.7 12.2 0.2 27.8 97 113 A P H 3> S+ 0 0 102 0, 0.0 4,-2.1 0, 0.0 -1,-0.1 0.833 109.8 53.5 -50.0 -41.4 12.8 -2.9 30.0 98 114 A Q H 3> S+ 0 0 35 1,-0.2 4,-0.7 2,-0.2 -2,-0.1 0.775 109.7 50.1 -70.7 -23.1 9.0 -3.8 30.1 99 115 A A H X4 S+ 0 0 3 -3,-1.0 3,-0.6 2,-0.2 4,-0.4 0.895 108.7 52.3 -73.7 -41.6 9.1 -3.7 26.3 100 116 A A H >< S+ 0 0 36 -4,-2.1 3,-1.6 1,-0.2 4,-0.3 0.863 100.1 62.0 -65.4 -35.8 12.2 -6.0 26.4 101 117 A A H >< S+ 0 0 34 -4,-2.1 3,-1.3 1,-0.3 -1,-0.2 0.842 96.9 58.7 -59.0 -35.5 10.6 -8.6 28.6 102 118 A S T << S+ 0 0 2 -4,-0.7 -1,-0.3 -3,-0.6 -30,-0.2 0.616 100.1 58.2 -71.3 -12.6 7.9 -9.3 26.0 103 119 A T T < S+ 0 0 8 -3,-1.6 7,-3.0 -4,-0.4 8,-0.5 0.507 92.7 89.7 -90.2 -7.8 10.6 -10.3 23.5 104 120 A R E < +H 109 0D 103 -3,-1.3 2,-0.3 -4,-0.3 5,-0.2 -0.714 43.7 170.7-103.3 140.1 12.1 -13.0 25.6 105 121 A Y E > S-H 108 0D 44 3,-2.5 3,-1.2 -2,-0.3 240,-0.1 -0.919 72.8 -20.1-147.8 122.3 11.2 -16.7 25.9 106 122 A E T 3 S- 0 0 157 -2,-0.3 3,-0.1 1,-0.2 -2,-0.0 0.875 127.2 -47.5 46.0 49.8 13.2 -19.3 27.8 107 123 A G T 3 S+ 0 0 56 1,-0.2 2,-0.3 0, 0.0 -1,-0.2 0.594 119.0 99.2 77.0 14.5 16.4 -17.2 27.9 108 124 A K E < S-H 105 0D 104 -3,-1.2 -3,-2.5 -25,-0.0 2,-0.5 -0.938 71.2-119.7-131.6 154.7 16.4 -16.3 24.2 109 125 A T E +H 104 0D 18 -2,-0.3 -26,-3.2 -5,-0.2 -25,-0.5 -0.831 31.6 166.3 -97.7 122.2 15.3 -13.2 22.2 110 126 A Y + 0 0 25 -7,-3.0 168,-0.4 -2,-0.5 2,-0.3 0.308 62.1 22.2-117.8 6.1 12.6 -13.8 19.6 111 127 A A - 0 0 1 -8,-0.5 166,-0.2 166,-0.1 -1,-0.1 -0.972 63.1-127.8-161.2 166.6 11.5 -10.3 18.8 112 128 A V E -D 276 0A 6 164,-2.1 164,-2.4 -2,-0.3 -23,-0.0 -0.981 39.8-105.9-120.2 138.6 12.6 -6.6 18.8 113 129 A P E +D 275 0A 5 0, 0.0 162,-0.2 0, 0.0 200,-0.1 -0.348 40.6 167.1 -66.7 145.9 10.3 -4.0 20.3 114 130 A Q E - 0 0 6 160,-2.2 199,-0.6 1,-0.4 2,-0.3 0.653 61.6 -3.4-119.1 -66.3 8.4 -1.7 18.0 115 131 A V E -DE 274 312A 8 159,-2.0 159,-1.7 197,-0.2 -1,-0.4 -0.945 54.7-155.0-131.0 153.3 5.7 0.2 19.9 116 132 A I E +DE 273 311A 3 195,-1.6 195,-0.6 -2,-0.3 2,-0.3 -0.938 23.5 165.1-121.9 148.7 4.4 0.2 23.5 117 133 A D E -D 272 0A 12 155,-1.9 155,-2.5 -2,-0.3 2,-0.3 -0.934 19.0-171.3-152.5 174.9 0.9 1.2 24.6 118 134 A T - 0 0 0 -2,-0.3 2,-0.3 153,-0.2 153,-0.1 -0.910 36.4 -88.8-154.9 176.3 -1.8 1.3 27.3 119 135 A L + 0 0 2 151,-0.5 141,-0.5 -2,-0.3 2,-0.3 -0.721 43.7 172.1 -93.3 150.4 -5.4 2.3 27.6 120 136 A A E -I 235 0E 0 115,-2.2 115,-2.4 -2,-0.3 2,-0.8 -0.939 38.5 -95.7-148.4 164.8 -6.6 5.8 28.6 121 137 A L E -IJ 234 258E 0 137,-2.7 137,-2.0 -2,-0.3 2,-0.3 -0.818 36.8-163.2 -88.6 107.9 -9.7 7.9 28.8 122 138 A F E -IJ 233 257E 0 111,-2.8 111,-2.0 -2,-0.8 2,-0.3 -0.737 13.4-174.6 -84.9 144.2 -10.3 10.0 25.7 123 139 A Y E -IJ 232 256E 40 133,-2.4 133,-3.1 -2,-0.3 2,-0.8 -0.980 32.7-119.8-144.8 154.9 -12.8 12.8 25.9 124 140 A N E > - J 0 255E 2 107,-2.4 4,-2.1 -2,-0.3 5,-0.2 -0.830 25.0-160.6 -94.1 107.8 -14.5 15.4 23.9 125 141 A K H > S+ 0 0 87 129,-2.3 4,-2.4 -2,-0.8 5,-0.2 0.901 87.2 50.5 -59.2 -46.6 -13.4 18.7 25.4 126 142 A E H > S+ 0 0 104 128,-0.3 4,-2.5 1,-0.2 -1,-0.2 0.867 110.9 49.7 -63.9 -37.0 -16.2 20.8 24.0 127 143 A L H > S+ 0 0 24 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.920 110.9 48.1 -66.7 -44.9 -18.9 18.4 25.3 128 144 A L H X>S+ 0 0 5 -4,-2.1 5,-2.4 2,-0.2 4,-0.5 0.939 113.6 48.5 -61.7 -40.7 -17.5 18.3 28.8 129 145 A T H ><5S+ 0 0 111 -4,-2.4 3,-1.2 1,-0.2 -2,-0.2 0.931 111.8 48.8 -64.3 -45.4 -17.3 22.1 28.8 130 146 A K H 3<5S+ 0 0 130 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.843 111.5 50.1 -64.1 -32.4 -20.9 22.4 27.5 131 147 A A H 3<5S- 0 0 0 -4,-2.2 -1,-0.3 -5,-0.1 -2,-0.2 0.535 110.5-126.7 -76.6 -10.0 -22.0 20.0 30.2 132 148 A G T <<5 + 0 0 58 -3,-1.2 2,-0.3 -4,-0.5 -3,-0.2 0.805 64.7 131.0 65.5 32.3 -20.1 22.0 32.8 133 149 A V < - 0 0 24 -5,-2.4 2,-0.3 -6,-0.2 -1,-0.2 -0.820 54.2-127.8-118.6 156.5 -18.2 19.0 34.0 134 150 A E - 0 0 163 -2,-0.3 11,-0.1 -3,-0.1 3,-0.0 -0.664 45.8 -86.3 -91.0 153.3 -14.5 18.1 34.8 135 151 A V - 0 0 47 -2,-0.3 2,-0.2 1,-0.1 -1,-0.1 -0.404 57.2-114.5 -56.8 125.9 -12.8 15.1 33.3 136 152 A P - 0 0 6 0, 0.0 -1,-0.1 0, 0.0 6,-0.1 -0.506 26.5-167.6 -74.6 136.6 -13.7 12.3 35.8 137 153 A G S S+ 0 0 55 -2,-0.2 125,-2.9 124,-0.1 2,-0.3 0.651 72.3 27.1 -90.3 -19.1 -10.9 10.7 37.9 138 154 A S B > S-m 262 0F 29 123,-0.3 4,-1.4 1,-0.1 125,-0.2 -0.894 83.6-105.6-135.6 167.7 -12.9 7.8 39.2 139 155 A V H > S+ 0 0 18 123,-2.5 4,-2.7 -2,-0.3 3,-0.4 0.918 123.1 53.3 -59.0 -43.9 -15.9 5.6 38.3 140 156 A A H > S+ 0 0 66 1,-0.2 4,-1.9 122,-0.2 -1,-0.2 0.929 111.1 45.7 -55.4 -47.4 -17.9 7.4 40.9 141 157 A E H > S+ 0 0 114 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.665 110.4 54.9 -69.3 -23.7 -16.9 10.8 39.3 142 158 A L H X S+ 0 0 3 -4,-1.4 4,-2.9 -3,-0.4 -2,-0.2 0.878 105.7 51.6 -75.6 -42.5 -17.7 9.3 35.8 143 159 A K H X S+ 0 0 72 -4,-2.7 4,-1.8 2,-0.2 -2,-0.2 0.952 112.2 45.6 -59.2 -49.0 -21.2 8.4 36.9 144 160 A T H X S+ 0 0 87 -4,-1.9 4,-1.7 1,-0.2 -1,-0.2 0.928 114.9 48.1 -59.5 -43.7 -21.9 11.9 38.2 145 161 A A H X S+ 0 0 6 -4,-1.4 4,-2.5 1,-0.2 -1,-0.2 0.908 108.2 54.3 -64.6 -41.3 -20.4 13.5 35.0 146 162 A A H X S+ 0 0 1 -4,-2.9 4,-2.4 1,-0.2 -1,-0.2 0.864 106.0 52.7 -62.4 -37.7 -22.4 11.2 32.7 147 163 A A H X S+ 0 0 59 -4,-1.8 4,-2.7 2,-0.2 -1,-0.2 0.912 111.3 45.9 -64.9 -43.9 -25.7 12.2 34.3 148 164 A E H X S+ 0 0 66 -4,-1.7 4,-2.3 2,-0.2 5,-0.3 0.877 110.9 53.8 -66.1 -39.3 -24.9 15.9 33.8 149 165 A I H X>S+ 0 0 0 -4,-2.5 4,-2.5 2,-0.2 5,-0.9 0.931 112.7 42.8 -61.4 -45.6 -23.8 15.3 30.2 150 166 A T H X5S+ 0 0 65 -4,-2.4 4,-1.3 3,-0.2 -2,-0.2 0.954 115.5 49.7 -65.3 -45.5 -27.1 13.5 29.4 151 167 A E H <5S+ 0 0 150 -4,-2.7 -2,-0.2 1,-0.2 -1,-0.2 0.840 123.9 28.1 -61.0 -37.3 -29.1 16.2 31.2 152 168 A K H <5S+ 0 0 120 -4,-2.3 -1,-0.2 -5,-0.1 -2,-0.2 0.708 137.2 18.3-101.5 -25.3 -27.4 19.2 29.5 153 169 A T H <5S- 0 0 48 -4,-2.5 -3,-0.2 -5,-0.3 -2,-0.2 0.559 87.0-125.7-125.6 -17.9 -26.3 17.9 26.1 154 170 A G S < - 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0 0 7 -6,-0.6 -1,-0.2 -9,-0.1 -2,-0.1 -0.572 50.4-104.2 -77.9 149.3 2.4 5.8 18.5 311 327 A L E -E 116 0A 1 -195,-0.6 -195,-1.6 -2,-0.2 -1,-0.1 -0.607 28.7-128.8 -85.9 125.8 4.8 5.4 21.4 312 328 A P E -E 115 0A 1 0, 0.0 -197,-0.2 0, 0.0 -198,-0.1 -0.268 2.0-149.7 -62.7 152.0 8.5 4.5 20.8 313 329 A T S S+ 0 0 0 -199,-0.6 -217,-2.8 -200,-0.1 2,-0.5 0.670 75.6 90.0 -93.5 -18.4 10.1 1.6 22.6 314 330 A R B >> -G 95 0C 6 -219,-0.2 3,-1.0 -200,-0.2 4,-0.7 -0.666 67.2-151.2 -85.0 122.8 13.5 3.3 22.5 315 331 A T G >4 S+ 0 0 64 -221,-3.3 3,-1.4 -2,-0.5 4,-0.5 0.900 95.5 61.0 -57.0 -44.2 14.4 5.7 25.4 316 332 A S G >4 S+ 0 0 48 1,-0.3 3,-1.2 2,-0.2 4,-0.3 0.773 95.2 62.1 -53.6 -31.9 16.6 7.8 23.1 317 333 A V G X4 S+ 0 0 0 -3,-1.0 3,-1.0 1,-0.3 6,-0.3 0.791 94.3 61.3 -72.7 -27.0 13.7 8.7 20.9 318 334 A Y G << S+ 0 0 21 -3,-1.4 -1,-0.3 -4,-0.7 -2,-0.2 0.681 98.6 58.8 -68.7 -16.8 11.9 10.4 23.8 319 335 A E G < S+ 0 0 160 -3,-1.2 -1,-0.2 -4,-0.5 -2,-0.2 0.505 78.8 102.4 -91.8 -8.1 14.9 12.8 23.9 320 336 A V S X> S- 0 0 39 -3,-1.0 4,-3.3 -4,-0.3 3,-1.7 -0.684 78.8-132.7 -74.4 120.9 14.3 13.9 20.3 321 337 A P H 3> S+ 0 0 89 0, 0.0 4,-2.1 0, 0.0 -1,-0.1 0.846 105.0 58.0 -47.1 -40.7 12.6 17.3 20.6 322 338 A S H 34 S+ 0 0 53 1,-0.2 -4,-0.1 2,-0.2 -5,-0.0 0.815 117.8 32.4 -58.8 -33.3 10.0 16.3 18.0 323 339 A V H X4 S+ 0 0 0 -3,-1.7 3,-1.6 -6,-0.3 -1,-0.2 0.887 116.9 55.1 -87.3 -45.0 9.0 13.3 20.2 324 340 A A H 3< S+ 0 0 39 -4,-3.3 -2,-0.2 1,-0.3 -1,-0.1 0.724 111.3 46.5 -62.2 -26.5 9.7 15.0 23.6 325 341 A D T 3< S+ 0 0 111 -4,-2.1 2,-0.4 -5,-0.3 -1,-0.3 0.347 82.7 115.7 -98.5 4.5 7.4 17.9 22.7 326 342 A N <> - 0 0 32 -3,-1.6 4,-3.0 1,-0.1 5,-0.1 -0.648 55.8-151.1 -77.7 124.8 4.4 15.8 21.4 327 343 A E H > S+ 0 0 137 -2,-0.4 4,-1.6 2,-0.3 5,-0.2 0.831 94.7 48.8 -73.1 -37.2 1.3 16.2 23.6 328 344 A M H > S+ 0 0 27 2,-0.2 4,-2.9 1,-0.2 -1,-0.2 0.941 118.0 44.5 -63.9 -44.0 -0.3 12.8 23.0 329 345 A V H > S+ 0 0 4 2,-0.2 4,-2.6 1,-0.2 -2,-0.3 0.890 106.3 59.6 -61.4 -42.8 3.1 11.4 23.8 330 346 A K H < S+ 0 0 115 -4,-3.0 -1,-0.2 1,-0.2 -2,-0.2 0.856 115.1 36.6 -58.9 -34.4 3.6 13.7 26.8 331 347 A F H X S+ 0 0 42 -4,-1.6 4,-1.3 -3,-0.1 -2,-0.2 0.903 119.1 46.8 -77.3 -51.3 0.4 12.1 28.3 332 348 A F H X S+ 0 0 0 -4,-2.9 4,-2.8 1,-0.2 5,-0.2 0.826 100.7 63.9 -68.9 -31.1 0.9 8.5 27.2 333 349 A K H X S+ 0 0 41 -4,-2.6 4,-2.6 1,-0.2 -1,-0.2 0.964 106.2 42.6 -62.8 -51.8 4.5 8.0 28.1 334 350 A P H > S+ 0 0 71 0, 0.0 4,-1.6 0, 0.0 -1,-0.2 0.894 114.2 53.4 -58.8 -35.6 4.0 8.4 31.9 335 351 A A H X S+ 0 0 20 -4,-1.3 4,-0.6 1,-0.2 -2,-0.2 0.902 109.3 48.4 -66.1 -40.6 0.9 6.3 31.7 336 352 A V H >< S+ 0 0 1 -4,-2.8 3,-1.1 1,-0.2 -1,-0.2 0.911 104.8 59.0 -62.6 -41.6 2.9 3.6 29.9 337 353 A D H 3< S+ 0 0 87 -4,-2.6 -2,-0.2 1,-0.3 -1,-0.2 0.870 112.5 40.5 -55.1 -35.2 5.5 3.8 32.6 338 354 A K H 3< S+ 0 0 179 -4,-1.6 -1,-0.3 -5,-0.2 -69,-0.2 0.495 89.0 126.0 -86.8 -9.6 2.8 3.0 35.2 339 355 A A << - 0 0 16 -3,-1.1 2,-0.4 -4,-0.6 -68,-0.1 -0.181 66.4-107.5 -61.9 147.1 1.1 0.3 33.1 340 356 A V B -o 270 0H 36 -71,-2.8 -69,-2.0 1,-0.0 -1,-0.1 -0.547 30.2-142.0 -77.9 127.3 0.5 -3.2 34.6 341 357 A E - 0 0 79 -2,-0.4 -69,-0.0 -71,-0.2 -1,-0.0 -0.395 11.8-151.1 -82.3 161.7 2.7 -6.0 33.2 342 358 A R - 0 0 27 -71,-0.1 2,-0.3 -2,-0.1 6,-0.0 -0.826 35.3 -79.6-121.2 165.7 1.4 -9.5 32.7 343 359 A P - 0 0 11 0, 0.0 2,-1.6 0, 0.0 -241,-0.0 -0.564 36.6-140.5 -66.0 128.3 3.2 -12.9 32.7 344 360 A W + 0 0 42 -2,-0.3 2,-0.2 4,-0.1 -275,-0.0 -0.520 53.9 140.4 -88.9 68.0 5.0 -13.3 29.4 345 361 A I > - 0 0 37 -2,-1.6 3,-1.8 -240,-0.1 4,-0.4 -0.678 69.0-105.4-112.6 161.2 4.1 -17.0 29.2 346 362 A A T 3 S+ 0 0 25 1,-0.3 3,-0.3 -2,-0.2 4,-0.1 0.794 121.6 42.2 -54.6 -34.1 3.0 -19.3 26.4 347 363 A E T 3 S+ 0 0 85 1,-0.2 3,-0.3 2,-0.1 -1,-0.3 0.253 84.1 100.1-100.1 10.8 -0.6 -19.3 27.7 348 364 A G S X S+ 0 0 2 -3,-1.8 3,-1.6 1,-0.2 4,-0.2 0.901 78.7 56.0 -61.5 -41.6 -0.8 -15.6 28.4 349 365 A N G > S+ 0 0 51 -280,-0.4 3,-0.9 -4,-0.4 4,-0.3 0.820 102.7 56.7 -59.3 -33.4 -2.7 -14.9 25.2 350 366 A A G 3 S+ 0 0 38 -3,-0.3 -1,-0.3 1,-0.2 -2,-0.2 0.396 83.7 83.3 -82.4 0.6 -5.4 -17.4 26.1 351 367 A L G <> S+ 0 0 2 -3,-1.6 4,-0.7 -4,-0.2 -1,-0.2 0.660 85.9 60.7 -73.3 -15.0 -6.2 -15.6 29.4 352 368 A F H <> S+ 0 0 28 -3,-0.9 4,-2.2 -4,-0.2 -1,-0.2 0.847 87.8 65.7 -85.6 -33.4 -8.4 -13.2 27.5 353 369 A E H > S+ 0 0 96 -4,-0.3 4,-2.0 1,-0.2 5,-0.2 0.902 99.2 52.8 -59.0 -43.9 -11.0 -15.6 26.0 354 370 A P H > S+ 0 0 13 0, 0.0 4,-2.0 0, 0.0 5,-0.2 0.931 110.4 48.9 -59.1 -41.9 -12.5 -16.5 29.4 355 371 A I H X S+ 0 0 0 -4,-0.7 4,-3.0 1,-0.2 5,-0.3 0.911 106.4 57.5 -59.6 -42.7 -12.9 -12.8 30.2 356 372 A R H X S+ 0 0 92 -4,-2.2 4,-2.3 1,-0.2 -1,-0.2 0.941 109.5 43.4 -59.0 -47.1 -14.6 -12.2 26.8 357 373 A L H X S+ 0 0 70 -4,-2.0 4,-2.0 2,-0.2 -1,-0.2 0.915 116.9 44.4 -64.1 -45.4 -17.4 -14.7 27.4 358 374 A Q H X S+ 0 0 29 -4,-2.0 4,-2.0 -5,-0.2 5,-0.2 0.906 112.3 52.3 -70.2 -38.4 -18.1 -13.8 31.0 359 375 A M H X S+ 0 0 2 -4,-3.0 4,-2.4 -5,-0.2 -2,-0.2 0.928 109.3 50.3 -63.8 -42.1 -18.0 -10.0 30.3 360 376 A A H X S+ 0 0 35 -4,-2.3 4,-1.7 -5,-0.3 6,-0.2 0.921 112.7 46.7 -59.6 -46.3 -20.5 -10.4 27.5 361 377 A N H X>S+ 0 0 62 -4,-2.0 6,-1.9 2,-0.2 5,-1.5 0.797 110.4 51.9 -70.0 -27.5 -22.9 -12.4 29.7 362 378 A V H ><5S+ 0 0 1 -4,-2.0 3,-0.9 4,-0.2 -1,-0.2 0.931 109.8 50.1 -69.7 -45.5 -22.6 -10.0 32.6 363 379 A L H 3<5S+ 0 0 22 -4,-2.4 -2,-0.2 1,-0.3 -1,-0.2 0.850 113.1 45.2 -64.2 -32.3 -23.5 -7.1 30.3 364 380 A S H 3<5S- 0 0 70 -4,-1.7 -1,-0.3 -5,-0.2 -2,-0.2 0.534 114.2-115.9 -86.3 -10.4 -26.5 -8.9 28.8 365 381 A G T <<5S+ 0 0 49 -3,-0.9 -3,-0.2 -4,-0.5 -2,-0.1 0.556 85.0 116.2 86.5 8.4 -27.7 -10.0 32.3 366 382 A E S - 0 0 59 -2,-0.4 4,-2.9 1,-0.1 5,-0.2 -0.403 28.2-114.8 -70.1 151.7 -24.2 -12.5 37.7 369 385 A P H > S+ 0 0 22 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.907 118.1 54.2 -48.4 -41.6 -20.9 -10.7 38.6 370 386 A D H > S+ 0 0 98 1,-0.2 4,-2.0 2,-0.2 5,-0.2 0.937 112.2 41.1 -62.4 -50.2 -20.4 -13.4 41.2 371 387 A E H > S+ 0 0 92 2,-0.2 4,-3.1 1,-0.2 5,-0.2 0.899 112.6 56.4 -63.9 -39.3 -20.7 -16.3 38.8 372 388 A A H X S+ 0 0 0 -4,-2.9 4,-2.2 2,-0.2 -2,-0.2 0.927 107.8 47.3 -61.2 -44.0 -18.7 -14.5 36.1 373 389 A A H X S+ 0 0 1 -4,-2.5 4,-2.4 2,-0.2 -1,-0.2 0.952 114.4 46.2 -62.6 -46.5 -15.7 -14.0 38.4 374 390 A A H X S+ 0 0 42 -4,-2.0 4,-2.7 1,-0.2 -2,-0.2 0.894 112.6 51.1 -62.7 -43.8 -15.8 -17.7 39.6 375 391 A N H X S+ 0 0 38 -4,-3.1 4,-2.2 2,-0.2 -1,-0.2 0.877 109.4 50.4 -59.8 -40.4 -16.2 -18.8 35.9 376 392 A T H X S+ 0 0 0 -4,-2.2 4,-2.2 -5,-0.2 -2,-0.2 0.938 111.8 47.3 -64.5 -47.6 -13.2 -16.7 34.9 377 393 A G H X S+ 0 0 0 -4,-2.4 4,-2.2 1,-0.2 -2,-0.2 0.902 110.0 53.6 -57.2 -45.6 -11.1 -18.2 37.7 378 394 A D H X S+ 0 0 95 -4,-2.7 4,-1.5 1,-0.2 -1,-0.2 0.898 108.3 49.9 -57.5 -43.6 -12.2 -21.7 36.8 379 395 A A H X S+ 0 0 28 -4,-2.2 4,-1.8 1,-0.2 -1,-0.2 0.927 109.6 51.4 -64.2 -41.6 -11.1 -21.2 33.2 380 396 A Y H X S+ 0 0 0 -4,-2.2 4,-2.6 1,-0.2 -2,-0.2 0.895 106.5 52.5 -61.0 -42.5 -7.7 -19.9 34.3 381 397 A R H < S+ 0 0 81 -4,-2.2 6,-0.2 1,-0.2 -1,-0.2 0.848 110.0 50.2 -64.7 -31.3 -7.0 -23.0 36.5 382 398 A K H < S+ 0 0 153 -4,-1.5 3,-0.2 -5,-0.2 -1,-0.2 0.843 115.1 43.3 -70.1 -37.2 -7.8 -25.2 33.5 383 399 A L H < S+ 0 0 48 -4,-1.8 2,-0.7 1,-0.2 -2,-0.2 0.823 114.3 50.7 -74.4 -37.1 -5.4 -23.2 31.3 384 400 A L >< - 0 0 5 -4,-2.6 3,-2.2 -5,-0.2 -1,-0.2 -0.760 63.5-179.9-115.0 84.0 -2.6 -22.9 33.8 385 401 A K T 3 S+ 0 0 153 -2,-0.7 -1,-0.2 1,-0.3 -4,-0.1 0.720 82.5 49.9 -59.2 -28.5 -1.9 -26.4 35.1 386 402 A D T 3 S+ 0 0 130 -200,-0.0 2,-0.4 2,-0.0 -1,-0.3 0.138 95.5 91.2-100.0 19.4 0.9 -25.3 37.5 387 403 A Y < 0 0 33 -3,-2.2 -201,-0.2 -6,-0.2 -202,-0.1 -0.888 360.0 360.0-106.1 145.2 -1.2 -22.5 39.0 388 404 A K 0 0 80 -203,-2.1 -202,-0.2 -2,-0.4 -1,-0.1 0.644 360.0 360.0 -98.3 360.0 -3.4 -22.9 42.1