==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=27-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 30-AUG-00 1E7M . COMPND 2 MOLECULE: GLUCOSE 6-PHOSPHATE 1-DEHYDROGENASE; . SOURCE 2 ORGANISM_SCIENTIFIC: LEUCONOSTOC MESENTEROIDES; . AUTHOR M.J.ADAMS,M.S.COSGROVE,S.GOVER . 485 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 21339.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 366 75.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 40 8.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 48 9.9 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.2 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 . 1 0.2 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 . 44 9.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 58 12.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 143 29.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 13 2.7 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 2 2 1 1 2 0 3 2 3 0 0 1 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 2 0 3 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 PARALLEL BRIDGES PER LADDER . 1 0 0 1 1 2 0 1 1 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 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 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 V 0 0 121 0, 0.0 2,-0.6 0, 0.0 3,-0.0 0.000 360.0 360.0 360.0 177.0 100.0 -5.0 3.6 2 2 A S - 0 0 107 1,-0.1 0, 0.0 0, 0.0 0, 0.0 -0.592 360.0-120.8 -68.6 112.6 101.7 -1.9 5.1 3 3 A E - 0 0 48 -2,-0.6 2,-0.5 1,-0.1 32,-0.2 -0.246 15.4-134.0 -59.5 140.6 103.4 -3.3 8.2 4 4 A I - 0 0 13 30,-2.5 2,-0.8 2,-0.0 32,-0.5 -0.862 11.4-156.7 -98.6 123.8 102.4 -1.9 11.6 5 5 A K + 0 0 93 -2,-0.5 2,-0.3 418,-0.1 34,-0.2 -0.895 38.4 137.2-101.3 104.1 105.4 -1.1 13.8 6 6 A T E -a 39 0A 0 -2,-0.8 34,-1.5 32,-0.7 2,-0.5 -0.989 45.1-147.7-149.9 159.6 104.1 -1.2 17.4 7 7 A L E -ab 40 112A 0 104,-2.3 106,-2.5 -2,-0.3 2,-0.4 -0.967 20.8-165.3-130.2 112.1 104.9 -2.3 20.9 8 8 A V E -ab 41 113A 3 32,-2.5 34,-2.7 -2,-0.5 2,-0.5 -0.849 5.2-162.5-105.1 135.3 101.9 -3.3 23.1 9 9 A T E -ab 42 114A 0 104,-2.4 106,-2.7 -2,-0.4 2,-0.9 -0.962 8.3-153.3-116.9 119.4 102.1 -3.7 26.8 10 10 A F E > -ab 43 115A 0 32,-2.3 34,-1.8 -2,-0.5 3,-1.0 -0.795 1.5-159.8 -99.4 100.6 99.2 -5.7 28.5 11 11 A F E 3 S+ab 44 116A 3 104,-2.4 106,-2.1 -2,-0.9 34,-0.2 -0.670 89.6 26.5 -74.8 122.2 98.6 -4.7 32.1 12 12 A G T > S+ 0 0 13 32,-2.5 3,-1.7 -2,-0.5 6,-0.4 0.778 77.9 160.4 90.6 34.3 96.7 -7.7 33.5 13 13 A G T < S+ 0 0 0 31,-2.4 32,-0.2 -3,-1.0 -2,-0.1 0.646 70.2 54.4 -62.6 -20.0 98.3 -10.0 31.0 14 14 A T T 3 S+ 0 0 25 30,-0.3 -1,-0.3 4,-0.1 31,-0.1 0.472 89.1 112.9 -92.0 -4.2 97.4 -13.1 33.1 15 15 A G S <> S- 0 0 27 -3,-1.7 4,-1.7 102,-0.2 5,-0.2 -0.163 79.6-114.3 -68.2 162.4 93.8 -12.1 33.2 16 16 A D H > S+ 0 0 93 1,-0.2 4,-2.2 2,-0.2 5,-0.3 0.949 114.0 55.4 -61.0 -48.4 90.9 -14.0 31.6 17 17 A L H >>S+ 0 0 33 1,-0.2 4,-2.2 2,-0.2 5,-2.0 0.844 106.9 51.4 -54.3 -39.3 90.1 -11.1 29.2 18 18 A A H 4>S+ 0 0 0 -6,-0.4 5,-2.7 1,-0.2 -1,-0.2 0.984 118.8 33.1 -64.2 -57.9 93.6 -11.1 27.8 19 19 A K H <5S+ 0 0 70 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.628 121.6 52.4 -74.9 -12.6 93.9 -14.8 27.1 20 20 A R H <5S- 0 0 149 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.827 135.8 -14.4 -92.4 -34.6 90.2 -15.0 26.2 21 21 A K T X5S+ 0 0 86 -4,-2.2 4,-2.2 -5,-0.3 -3,-0.2 0.610 123.3 62.6-136.6 -45.9 89.9 -12.2 23.6 22 22 A L H > S+ 0 0 2 0, 0.0 4,-2.4 0, 0.0 -1,-0.2 0.937 109.5 52.5 -60.1 -41.5 93.6 -14.0 19.8 25 25 A S H X S+ 0 0 3 -4,-2.2 4,-1.3 1,-0.2 -2,-0.2 0.861 109.8 47.6 -59.5 -38.1 92.6 -10.6 18.3 26 26 A V H X S+ 0 0 0 -4,-1.8 4,-0.8 2,-0.2 -1,-0.2 0.825 108.6 56.3 -73.8 -28.7 96.3 -9.6 18.2 27 27 A F H >X S+ 0 0 0 -4,-2.0 4,-2.5 1,-0.2 3,-0.9 0.915 102.0 55.1 -67.6 -45.1 97.0 -13.0 16.5 28 28 A N H 3X S+ 0 0 21 -4,-2.4 4,-3.0 1,-0.3 -1,-0.2 0.903 102.5 56.8 -55.6 -40.3 94.6 -12.3 13.8 29 29 A L H 3<>S+ 0 0 0 -4,-1.3 5,-2.6 1,-0.2 6,-1.2 0.807 108.6 47.9 -61.7 -28.3 96.4 -9.1 13.0 30 30 A Y H X<5S+ 0 0 41 -3,-0.9 3,-1.9 -4,-0.8 -2,-0.2 0.932 111.3 48.9 -75.6 -47.7 99.5 -11.3 12.5 31 31 A K H 3<5S+ 0 0 63 -4,-2.5 -2,-0.2 1,-0.3 -3,-0.2 0.884 107.8 54.5 -58.7 -40.9 97.7 -13.8 10.3 32 32 A K T 3<5S- 0 0 84 -4,-3.0 -1,-0.3 -5,-0.2 -2,-0.2 0.421 119.9-114.3 -73.8 0.6 96.3 -10.9 8.2 33 33 A G T < 5S+ 0 0 23 -3,-1.9 -3,-0.2 2,-0.2 -2,-0.1 0.678 84.8 116.1 75.9 19.7 99.9 -9.8 7.7 34 34 A Y S > - 0 0 74 -2,-0.3 4,-1.7 1,-0.1 3,-1.0 -0.669 41.6-100.0 -89.9 154.4 109.3 -17.1 33.5 51 51 A D H 3> S+ 0 0 58 -2,-0.3 4,-3.0 1,-0.2 5,-0.3 0.851 120.4 57.4 -39.7 -51.7 109.1 -16.6 29.7 52 52 A D H 3> S+ 0 0 124 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.878 107.3 48.1 -50.9 -45.3 108.3 -20.3 29.0 53 53 A E H <> S+ 0 0 104 -3,-1.0 4,-2.2 2,-0.2 -1,-0.2 0.926 114.1 45.9 -62.9 -47.1 105.2 -20.2 31.2 54 54 A F H X S+ 0 0 0 -4,-1.7 4,-2.4 2,-0.2 5,-0.2 0.971 111.6 50.7 -60.3 -55.7 103.9 -17.0 29.7 55 55 A K H X S+ 0 0 42 -4,-3.0 4,-2.1 1,-0.3 -1,-0.2 0.838 110.4 51.1 -52.7 -35.9 104.5 -18.1 26.1 56 56 A Q H X S+ 0 0 75 -4,-1.9 4,-2.5 -5,-0.3 -1,-0.3 0.920 107.3 52.5 -68.3 -43.0 102.7 -21.3 26.9 57 57 A L H X S+ 0 0 32 -4,-2.2 4,-1.9 1,-0.2 -2,-0.2 0.905 110.7 47.9 -57.3 -42.1 99.7 -19.4 28.3 58 58 A V H X S+ 0 0 0 -4,-2.4 4,-2.5 2,-0.2 -1,-0.2 0.907 108.7 54.8 -64.3 -40.9 99.6 -17.4 25.1 59 59 A R H < S+ 0 0 64 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.895 108.8 47.6 -59.9 -41.2 99.8 -20.7 23.2 60 60 A D H >< S+ 0 0 75 -4,-2.5 3,-1.0 1,-0.2 4,-0.3 0.859 109.6 55.5 -68.3 -35.1 96.7 -21.9 25.1 61 61 A S H 3< S+ 0 0 11 -4,-1.9 3,-0.3 1,-0.2 -2,-0.2 0.963 112.6 38.4 -61.3 -54.9 95.0 -18.6 24.3 62 62 A I T >< S+ 0 0 3 -4,-2.5 3,-0.5 1,-0.2 -1,-0.2 0.103 85.8 112.1 -87.1 23.1 95.4 -18.8 20.5 63 63 A K G X S+ 0 0 83 -3,-1.0 3,-2.6 1,-0.2 -1,-0.2 0.991 78.8 41.2 -57.2 -68.9 94.7 -22.6 20.4 64 64 A D G 3 S+ 0 0 158 -4,-0.3 -1,-0.2 -3,-0.3 -2,-0.1 0.500 113.8 57.3 -61.4 -3.6 91.4 -22.6 18.6 65 65 A F G < S+ 0 0 69 -3,-0.5 2,-0.3 -4,-0.1 -1,-0.3 0.309 88.6 96.8-108.4 4.5 92.7 -19.8 16.3 66 66 A T < + 0 0 29 -3,-2.6 3,-0.1 -4,-0.2 -3,-0.0 -0.745 28.5 155.4-101.2 145.2 95.7 -21.8 15.1 67 67 A D S S+ 0 0 140 -2,-0.3 2,-0.7 1,-0.2 -1,-0.2 0.526 79.9 39.4-126.9 -49.1 95.9 -23.9 11.9 68 68 A D >> - 0 0 97 1,-0.2 4,-1.6 2,-0.0 3,-1.5 -0.871 69.9-161.8-111.0 96.6 99.7 -23.9 11.2 69 69 A Q H 3> S+ 0 0 96 -2,-0.7 4,-2.5 1,-0.3 -1,-0.2 0.802 89.5 60.6 -45.9 -35.4 101.4 -24.3 14.6 70 70 A A H 3> S+ 0 0 65 1,-0.2 4,-2.0 2,-0.2 -1,-0.3 0.868 103.0 49.9 -63.8 -37.3 104.6 -23.1 13.0 71 71 A Q H <> S+ 0 0 59 -3,-1.5 4,-1.1 2,-0.2 -1,-0.2 0.915 111.0 49.9 -67.3 -42.4 103.0 -19.7 12.2 72 72 A A H >X S+ 0 0 2 -4,-1.6 4,-2.6 1,-0.2 3,-0.5 0.913 108.9 52.1 -61.7 -43.5 101.7 -19.4 15.7 73 73 A E H 3X S+ 0 0 71 -4,-2.5 4,-1.5 1,-0.3 -1,-0.2 0.916 104.5 55.0 -60.6 -43.9 105.2 -20.2 17.1 74 74 A A H 3< S+ 0 0 37 -4,-2.0 -1,-0.3 1,-0.2 -2,-0.2 0.786 111.7 47.3 -60.0 -26.8 106.8 -17.5 15.0 75 75 A F H X< S+ 0 0 0 -4,-1.1 3,-2.7 -3,-0.5 -2,-0.2 0.928 104.3 56.7 -79.0 -49.8 104.3 -15.1 16.6 76 76 A I H >< S+ 0 0 3 -4,-2.6 3,-2.0 1,-0.3 -2,-0.2 0.756 91.7 74.7 -54.3 -26.1 104.8 -16.3 20.2 77 77 A E T 3< S+ 0 0 92 -4,-1.5 -1,-0.3 1,-0.3 -2,-0.2 0.744 88.0 62.3 -58.8 -23.9 108.5 -15.4 19.7 78 78 A H T < S+ 0 0 7 -3,-2.7 -37,-2.5 -4,-0.1 2,-0.3 0.369 87.3 94.3 -86.4 4.4 107.3 -11.7 20.0 79 79 A F E < +c 41 0A 3 -3,-2.0 2,-0.3 -39,-0.2 -37,-0.2 -0.736 45.5 174.0-102.3 150.7 106.0 -12.0 23.5 80 80 A S E -c 42 0A 18 -39,-1.9 -37,-3.1 -2,-0.3 2,-0.3 -0.969 13.3-149.4-148.2 154.4 107.8 -11.2 26.8 81 81 A Y E -c 43 0A 5 -2,-0.3 2,-0.3 -39,-0.2 -37,-0.2 -0.895 11.4-178.8-128.1 161.0 106.8 -11.1 30.5 82 82 A R E -c 44 0A 66 -39,-0.6 -37,-0.8 -2,-0.3 2,-0.1 -0.880 29.3-126.3-160.3 117.4 107.8 -9.2 33.6 83 83 A A E +c 45 0A 42 -2,-0.3 2,-0.3 -34,-0.2 -37,-0.2 -0.486 45.2 165.4 -64.7 139.4 106.3 -9.7 37.1 84 84 A H - 0 0 9 -39,-2.9 2,-0.5 -2,-0.1 -37,-0.1 -0.966 38.5-146.6-164.3 143.1 105.1 -6.4 38.4 85 85 A D > - 0 0 34 -2,-0.3 3,-1.1 3,-0.2 6,-0.1 -0.953 18.7-146.2-111.2 125.6 102.9 -4.6 41.0 86 86 A V T 3 S+ 0 0 22 -2,-0.5 43,-0.1 1,-0.2 -1,-0.1 0.695 94.2 57.8 -65.4 -23.4 101.3 -1.4 39.7 87 87 A T T 3 S+ 0 0 81 1,-0.1 2,-1.0 4,-0.0 -1,-0.2 0.581 86.1 90.8 -85.1 -7.1 101.4 0.4 43.1 88 88 A D <> - 0 0 76 -3,-1.1 4,-0.9 1,-0.2 -3,-0.2 -0.735 56.1-169.0 -97.0 99.2 105.2 0.1 43.3 89 89 A A T >4 S+ 0 0 31 -2,-1.0 3,-0.9 1,-0.2 4,-0.4 0.864 90.2 47.1 -49.1 -47.4 106.9 3.1 41.6 90 90 A A T >4 S+ 0 0 73 1,-0.2 3,-2.1 2,-0.2 4,-0.4 0.915 101.3 65.1 -64.4 -41.4 110.3 1.5 41.7 91 91 A S T >> S+ 0 0 26 1,-0.3 3,-0.9 2,-0.2 4,-0.8 0.721 89.5 70.7 -54.4 -22.9 109.0 -1.8 40.3 92 92 A Y H S+ 0 0 59 -3,-2.1 4,-1.5 -4,-0.4 -1,-0.2 0.785 94.7 58.1 -60.0 -26.9 111.9 0.4 36.2 94 94 A V H <> S+ 0 0 64 -3,-0.9 4,-1.9 -4,-0.4 -1,-0.2 0.944 107.8 46.0 -65.8 -47.2 111.9 -3.3 35.7 95 95 A L H X S+ 0 0 0 -4,-0.8 4,-2.8 -3,-0.2 5,-0.2 0.873 104.4 60.5 -64.3 -41.2 109.1 -2.9 33.1 96 96 A K H X S+ 0 0 70 -4,-2.3 4,-2.8 1,-0.2 -1,-0.2 0.917 107.8 47.2 -54.1 -41.8 110.9 0.0 31.4 97 97 A E H X S+ 0 0 97 -4,-1.5 4,-2.5 2,-0.2 -2,-0.2 0.939 109.5 51.7 -65.3 -49.4 113.8 -2.4 30.7 98 98 A A H X S+ 0 0 3 -4,-1.9 4,-2.4 1,-0.2 -2,-0.2 0.905 114.3 44.6 -53.8 -44.6 111.5 -5.1 29.4 99 99 A I H X S+ 0 0 0 -4,-2.8 4,-2.6 1,-0.2 -2,-0.2 0.937 114.9 46.3 -66.5 -48.5 109.9 -2.6 27.0 100 100 A E H X S+ 0 0 71 -4,-2.8 4,-1.5 -5,-0.2 -2,-0.2 0.765 112.8 52.5 -68.5 -22.8 113.3 -1.1 25.9 101 101 A E H X S+ 0 0 109 -4,-2.5 4,-3.0 2,-0.2 -2,-0.2 0.973 111.5 43.6 -74.2 -54.6 114.7 -4.6 25.4 102 102 A A H X S+ 0 0 7 -4,-2.4 4,-1.4 1,-0.2 -2,-0.2 0.889 111.3 56.7 -57.0 -41.8 111.9 -5.8 23.2 103 103 A A H X>S+ 0 0 10 -4,-2.6 5,-2.1 1,-0.2 4,-0.7 0.934 111.9 41.8 -55.8 -47.1 112.0 -2.5 21.3 104 104 A D H ><5S+ 0 0 132 -4,-1.5 3,-0.9 1,-0.2 -2,-0.2 0.936 106.9 61.7 -65.9 -47.3 115.7 -3.2 20.6 105 105 A K H 3<5S+ 0 0 127 -4,-3.0 -1,-0.2 1,-0.3 -2,-0.2 0.732 122.8 21.4 -51.7 -29.6 115.2 -6.9 19.8 106 106 A F H 3<5S- 0 0 28 -4,-1.4 -1,-0.3 -3,-0.5 -2,-0.2 0.305 108.0-116.2-123.0 6.0 112.9 -6.0 16.9 107 107 A D T <<5 + 0 0 114 -3,-0.9 2,-0.6 -4,-0.7 -3,-0.2 0.988 45.9 176.1 52.4 69.4 114.0 -2.4 16.2 108 108 A I < - 0 0 10 -5,-2.1 2,-1.7 -6,-0.1 -1,-0.2 -0.933 24.3-147.3-107.9 111.9 110.7 -0.7 17.1 109 109 A D - 0 0 113 -2,-0.6 2,-0.2 -71,-0.1 -104,-0.1 -0.554 56.2 -72.7 -81.5 78.7 111.0 3.1 17.0 110 110 A G S S+ 0 0 3 -2,-1.7 30,-0.2 30,-0.1 -103,-0.1 -0.522 76.0 139.2 74.0-135.4 108.5 4.1 19.7 111 111 A N + 0 0 38 28,-0.5 -104,-2.3 -2,-0.2 2,-0.4 0.975 36.7 179.4 56.2 64.4 104.9 3.6 18.9 112 112 A R E -bd 7 142A 21 29,-2.7 31,-2.7 -106,-0.2 2,-0.4 -0.823 18.8-168.9-106.1 136.7 103.8 2.2 22.3 113 113 A I E -bd 8 143A 1 -106,-2.5 -104,-2.4 -2,-0.4 2,-0.5 -0.948 6.8-158.4-119.8 137.2 100.3 1.1 23.3 114 114 A F E -bd 9 144A 0 29,-2.3 31,-2.3 -2,-0.4 2,-0.8 -0.943 5.0-162.2-122.2 107.1 99.5 0.4 27.0 115 115 A Y E -bd 10 145A 1 -106,-2.7 -104,-2.4 -2,-0.5 2,-1.5 -0.798 4.8-157.0 -93.4 108.3 96.4 -1.8 27.4 116 116 A M E +bd 11 146A 0 29,-1.7 2,-1.2 -2,-0.8 31,-0.9 -0.618 22.4 166.5 -86.8 83.8 95.1 -1.6 31.0 117 117 A S + 0 0 18 -106,-2.1 2,-0.3 -2,-1.5 -102,-0.2 -0.456 48.4 102.7 -91.9 57.2 93.2 -4.8 31.3 118 118 A V S S- 0 0 32 -2,-1.2 29,-0.1 1,-0.1 5,-0.1 -0.834 82.6 -65.6-132.2 171.7 93.1 -4.2 35.1 119 119 A A > - 0 0 49 -2,-0.3 3,-1.9 1,-0.1 4,-0.4 -0.210 47.7-111.9 -59.2 150.5 90.5 -3.0 37.7 120 120 A P G >> S+ 0 0 70 0, 0.0 3,-1.7 0, 0.0 4,-0.5 0.823 112.3 69.8 -50.8 -39.2 89.3 0.6 37.5 121 121 A R G 34 S+ 0 0 199 1,-0.3 4,-0.4 2,-0.1 3,-0.2 0.773 100.1 47.5 -53.5 -29.2 91.1 1.4 40.7 122 122 A F G <> S+ 0 0 57 -3,-1.9 4,-2.6 1,-0.2 5,-0.3 0.503 85.0 90.8 -95.6 -3.3 94.5 1.1 39.0 123 123 A F H <> S+ 0 0 1 -3,-1.7 4,-2.1 -4,-0.4 -1,-0.2 0.941 92.1 40.0 -57.6 -53.8 93.8 3.2 35.9 124 124 A G H X S+ 0 0 10 -4,-0.5 4,-2.8 2,-0.2 -1,-0.2 0.911 116.8 50.5 -63.3 -44.2 95.0 6.5 37.3 125 125 A T H > S+ 0 0 41 -4,-0.4 4,-2.6 2,-0.2 5,-0.3 0.973 110.4 47.0 -57.9 -60.1 97.9 5.0 39.1 126 126 A I H X S+ 0 0 0 -4,-2.6 4,-2.0 1,-0.2 -1,-0.2 0.913 113.6 50.5 -49.5 -47.4 99.3 3.1 36.1 127 127 A A H X S+ 0 0 0 -4,-2.1 4,-1.2 -5,-0.3 3,-0.4 0.950 108.7 51.0 -57.1 -52.1 98.9 6.2 34.0 128 128 A K H >X S+ 0 0 114 -4,-2.8 4,-2.2 1,-0.2 3,-0.5 0.912 112.9 45.5 -51.5 -49.7 100.7 8.4 36.5 129 129 A Y H 3X S+ 0 0 37 -4,-2.6 4,-2.6 1,-0.2 6,-0.3 0.766 100.7 64.6 -69.8 -28.3 103.7 6.0 36.7 130 130 A L H 3<>S+ 0 0 1 -4,-2.0 5,-2.5 -3,-0.4 6,-1.1 0.867 112.8 38.5 -61.0 -34.0 104.1 5.4 32.9 131 131 A K H X<5S+ 0 0 115 -4,-1.2 3,-1.2 -3,-0.5 -2,-0.2 0.926 117.0 49.3 -79.4 -50.4 104.9 9.2 32.8 132 132 A S H 3<5S+ 0 0 67 -4,-2.2 2,-0.4 1,-0.3 -2,-0.2 0.943 112.9 44.7 -55.2 -57.5 107.0 9.3 36.1 133 133 A E T 3<5S- 0 0 54 -4,-2.6 -1,-0.3 -5,-0.1 -2,-0.1 -0.050 114.2-113.0 -83.1 34.9 109.2 6.3 35.3 134 134 A G T < 5 + 0 0 36 -3,-1.2 -3,-0.2 -2,-0.4 -2,-0.1 0.783 69.0 142.7 36.5 49.1 109.8 7.4 31.7 135 135 A L < + 0 0 0 -5,-2.5 2,-0.2 -6,-0.3 -4,-0.2 0.688 40.9 99.5 -85.2 -21.1 108.0 4.5 30.1 136 136 A L S S- 0 0 32 -6,-1.1 6,-0.1 -5,-0.1 2,-0.1 -0.478 87.5-104.4 -70.4 132.5 106.6 6.7 27.4 137 137 A A - 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0 0 3 -4,-2.6 2,-0.3 -25,-0.0 -1,-0.2 -0.912 69.1-123.1-132.1 160.3 98.3 11.9 28.2 169 169 A D > - 0 0 106 -2,-0.3 3,-2.4 1,-0.1 4,-0.3 -0.760 39.5-108.4 -97.2 148.7 96.3 14.2 25.9 170 170 A D G > S+ 0 0 40 -2,-0.3 3,-2.5 1,-0.3 -1,-0.1 0.824 115.4 63.7 -47.7 -43.2 92.7 13.2 25.2 171 171 A N G 3 S+ 0 0 124 1,-0.3 -1,-0.3 3,-0.1 256,-0.1 0.454 101.1 56.0 -64.6 2.4 93.3 12.2 21.6 172 172 A Q G < S+ 0 0 41 -3,-2.4 -28,-2.5 -29,-0.1 2,-0.7 0.421 85.8 93.4-109.3 -7.1 95.6 9.5 23.0 173 173 A L E < -e 144 0A 3 -3,-2.5 2,-0.8 -4,-0.3 -28,-0.2 -0.815 54.5-171.5 -94.2 114.0 93.0 7.9 25.2 174 174 A F E -e 145 0A 6 -30,-3.1 -28,-1.1 -2,-0.7 2,-0.4 -0.849 7.8-161.4-108.4 96.3 91.2 5.0 23.6 175 175 A R E -e 146 0A 11 -2,-0.8 256,-0.4 256,-0.5 2,-0.2 -0.637 21.9-119.3 -79.4 129.4 88.2 4.0 25.7 176 176 A I + 0 0 7 -30,-2.2 2,-0.3 -2,-0.4 -26,-0.1 -0.472 37.2 169.9 -72.0 131.2 86.9 0.5 25.0 177 177 A N > - 0 0 11 -2,-0.2 4,-1.1 1,-0.1 3,-0.2 -0.893 21.0-157.5-146.2 111.7 83.3 0.3 23.8 178 178 A H T >4 S+ 0 0 48 -2,-0.3 3,-0.8 1,-0.2 -1,-0.1 0.935 89.8 40.8 -51.8 -63.6 81.8 -2.9 22.4 179 179 A Y G >4 S+ 0 0 20 1,-0.2 3,-1.1 2,-0.2 6,-0.2 0.739 107.8 62.3 -65.1 -23.1 78.8 -1.7 20.3 180 180 A L G 34 S+ 0 0 1 1,-0.3 -1,-0.2 -3,-0.2 -2,-0.2 0.839 103.6 50.2 -72.3 -31.1 80.7 1.3 18.9 181 181 A G G << S+ 0 0 4 -4,-1.1 2,-0.5 -3,-0.8 -1,-0.3 -0.025 84.8 120.2 -96.4 30.0 83.2 -1.1 17.2 182 182 A K X> - 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0 0 5 0, 0.0 3,-2.1 0, 0.0 4,-0.7 -0.531 55.6-113.4 -82.1 154.2 56.3 -2.7 30.6 468 468 A E H >> S+ 0 0 132 1,-0.3 4,-2.1 2,-0.2 3,-0.9 0.888 114.3 69.5 -50.7 -43.3 53.1 -1.1 29.1 469 469 A A H 3> S+ 0 0 22 1,-0.3 4,-1.5 2,-0.2 -1,-0.3 0.751 90.6 62.8 -48.0 -29.2 54.5 2.3 30.2 470 470 A S H <> S+ 0 0 3 -3,-2.1 4,-1.1 2,-0.2 3,-0.3 0.958 106.1 42.2 -62.5 -51.1 57.1 1.8 27.5 471 471 A D H <>S+ 0 0 0 -4,-1.1 3,-2.6 -3,-0.4 5,-2.1 0.877 108.8 65.3 -78.2 -40.3 55.8 6.7 22.6 475 475 A A H ><5S+ 0 0 62 -4,-2.5 3,-2.0 1,-0.3 -1,-0.2 0.822 90.7 69.9 -52.2 -30.6 52.0 6.8 22.2 476 476 A A T 3<5S+ 0 0 82 -4,-1.5 -1,-0.3 1,-0.3 -2,-0.2 0.692 106.7 35.8 -60.8 -24.9 52.2 10.2 23.9 477 477 A N T < 5S- 0 0 60 -3,-2.6 -1,-0.3 -4,-0.1 -2,-0.2 0.135 127.2-101.0-110.2 11.7 53.8 11.7 20.8 478 478 A G T < 5S+ 0 0 55 -3,-2.0 -3,-0.3 1,-0.2 2,-0.2 0.886 84.6 123.3 69.1 41.5 51.7 9.4 18.6 479 479 A D < - 0 0 12 -5,-2.1 2,-0.3 -8,-0.2 -1,-0.2 -0.717 41.6-161.3-126.3 175.6 54.5 7.0 18.0 480 480 A A - 0 0 52 -2,-0.2 2,-0.3 -6,-0.1 -9,-0.1 -0.989 33.0 -93.2-157.7 152.6 55.1 3.2 18.5 481 481 A W - 0 0 3 -2,-0.3 -10,-0.0 1,-0.2 -270,-0.0 -0.535 27.7-154.2 -69.7 128.4 58.1 0.8 18.7 482 482 A V S S+ 0 0 43 -2,-0.3 2,-0.5 -134,-0.1 -1,-0.2 0.977 80.8 67.0 -68.1 -56.3 58.8 -0.6 15.3 483 483 A F + 0 0 23 1,-0.2 -1,-0.1 -137,-0.0 -2,-0.1 -0.529 60.0 175.5 -68.4 118.6 60.4 -3.8 16.6 484 484 A K 0 0 129 -2,-0.5 -1,-0.2 1,-0.1 -143,-0.1 0.555 360.0 360.0-101.7 -10.5 57.6 -5.8 18.3 485 485 A G 0 0 84 -20,-0.0 -1,-0.1 -145,-0.0 -21,-0.0 -0.800 360.0 360.0 119.3 360.0 59.5 -9.0 19.2