==== 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 OXIDOREDUCTASE 17-APR-98 2DPG . COMPND 2 MOLECULE: GLUCOSE 6-PHOSPHATE DEHYDROGENASE; . SOURCE 2 ORGANISM_SCIENTIFIC: LEUCONOSTOC MESENTEROIDES; . AUTHOR M.J.ADAMS,C.E.NAYLOR,S.PALUDIN,S.GOVER . 485 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 22022.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 352 72.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 41 8.5 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 . 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 . 44 9.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 50 10.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 136 28.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 14 2.9 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 1 1 2 1 2 0 3 2 3 0 1 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 1 1 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 0 127 0, 0.0 2,-0.2 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 139.1 74.3 68.5 57.8 2 2 A S - 0 0 104 1,-0.1 2,-0.2 33,-0.0 0, 0.0 -0.564 360.0-115.6 -82.7 141.7 75.5 65.0 57.3 3 3 A E - 0 0 44 -2,-0.2 2,-0.5 32,-0.1 32,-0.2 -0.482 16.4-145.0 -77.9 142.1 78.9 64.2 55.8 4 4 A I - 0 0 19 30,-2.9 2,-0.7 -2,-0.2 32,-0.4 -0.917 9.4-154.2-106.9 123.7 79.2 62.3 52.4 5 5 A K + 0 0 99 -2,-0.5 2,-0.3 418,-0.1 34,-0.2 -0.904 37.0 137.0-101.0 115.0 82.3 60.0 52.3 6 6 A T E -a 39 0A 2 32,-0.8 34,-1.6 -2,-0.7 2,-0.5 -0.995 47.7-141.1-157.7 160.4 83.4 59.6 48.7 7 7 A L E -ab 40 112A 0 104,-2.4 106,-2.8 -2,-0.3 2,-0.5 -0.986 23.9-167.9-126.6 115.2 86.2 59.4 46.1 8 8 A V E -ab 41 113A 3 32,-2.2 34,-2.5 -2,-0.5 2,-0.4 -0.912 4.0-162.1-108.4 131.1 85.5 61.1 42.8 9 9 A T E -ab 42 114A 1 104,-2.6 106,-2.6 -2,-0.5 2,-0.6 -0.919 7.6-151.6-110.6 136.6 87.7 60.5 39.8 10 10 A F E > -ab 43 115A 1 32,-2.5 34,-2.3 -2,-0.4 3,-1.0 -0.863 3.3-162.0-115.2 101.0 87.5 63.0 36.9 11 11 A F E 3 S+ab 44 116A 1 104,-2.9 106,-2.2 -2,-0.6 34,-0.2 -0.654 89.6 26.5 -76.5 128.5 88.4 61.7 33.4 12 12 A G T > S+ 0 0 14 32,-1.7 3,-1.9 -2,-0.4 6,-0.4 0.777 80.2 161.4 85.3 31.1 89.1 64.8 31.3 13 13 A G T < + 0 0 0 31,-2.6 32,-0.2 -3,-1.0 -2,-0.1 0.616 69.6 50.4 -60.7 -17.4 90.0 66.7 34.4 14 14 A T T 3 S+ 0 0 24 30,-0.3 -1,-0.3 4,-0.1 31,-0.1 0.466 89.8 115.6 -99.7 -2.5 91.9 69.4 32.5 15 15 A G S <> S- 0 0 27 -3,-1.9 4,-1.8 102,-0.2 5,-0.2 -0.079 79.7-108.6 -65.0 165.7 89.0 70.0 30.2 16 16 A D H > S+ 0 0 120 1,-0.2 4,-2.9 2,-0.2 5,-0.3 0.882 117.9 52.2 -62.4 -41.6 87.0 73.2 29.8 17 17 A L H >>S+ 0 0 46 1,-0.2 4,-2.4 2,-0.2 5,-2.3 0.853 107.2 54.0 -64.2 -36.0 83.8 71.7 31.5 18 18 A A H 4>S+ 0 0 0 -6,-0.4 5,-2.8 3,-0.2 -1,-0.2 0.924 116.5 36.8 -65.0 -44.8 85.9 70.5 34.5 19 19 A K H <5S+ 0 0 88 -4,-1.8 -2,-0.2 3,-0.2 -1,-0.1 0.954 123.7 41.4 -71.4 -50.7 87.3 74.0 35.1 20 20 A R H <5S- 0 0 159 -4,-2.9 -3,-0.2 -5,-0.2 -2,-0.2 0.789 137.0 -2.0 -71.6 -34.2 84.1 75.9 34.2 21 21 A K T X5S+ 0 0 57 -4,-2.4 4,-1.7 -5,-0.3 -3,-0.2 0.715 121.2 57.3-124.8 -54.5 81.4 73.8 35.8 22 22 A L H > S+ 0 0 5 0, 0.0 4,-1.6 0, 0.0 -1,-0.2 0.852 109.1 55.5 -63.9 -30.7 83.0 75.0 41.2 25 25 A S H X S+ 0 0 5 -4,-1.7 4,-1.3 2,-0.2 -2,-0.2 0.921 109.6 42.5 -67.7 -44.7 80.1 72.7 41.7 26 26 A V H X S+ 0 0 1 -4,-1.7 4,-0.9 1,-0.2 -1,-0.2 0.751 109.0 60.6 -73.6 -22.7 81.9 70.3 44.1 27 27 A F H >X S+ 0 0 0 -4,-1.6 4,-2.8 -5,-0.2 3,-0.5 0.894 101.4 54.0 -69.0 -36.2 83.3 73.4 45.8 28 28 A N H 3X S+ 0 0 27 -4,-1.6 4,-2.3 1,-0.3 -2,-0.2 0.901 103.7 54.5 -63.2 -40.6 79.7 74.4 46.5 29 29 A L H 3<>S+ 0 0 0 -4,-1.3 5,-2.1 1,-0.2 6,-1.5 0.773 110.6 47.4 -64.5 -23.9 79.1 71.1 48.2 30 30 A Y H X<5S+ 0 0 42 -4,-0.9 3,-1.4 -3,-0.5 -2,-0.2 0.908 108.9 53.0 -81.0 -43.3 82.1 71.8 50.3 31 31 A K H 3<5S+ 0 0 68 -4,-2.8 -2,-0.2 1,-0.3 -3,-0.2 0.846 110.6 48.0 -59.6 -33.7 80.9 75.3 51.1 32 32 A K T 3<5S- 0 0 92 -4,-2.3 -1,-0.3 -5,-0.2 -2,-0.2 0.550 117.7-116.1 -83.6 -9.2 77.6 73.8 52.2 33 33 A G T < 5S+ 0 0 19 -3,-1.4 -3,-0.2 2,-0.2 -2,-0.1 0.601 81.8 119.3 87.1 11.8 79.4 71.2 54.4 34 34 A Y S - 0 0 80 -2,-0.3 4,-1.8 32,-0.1 5,-0.2 -0.526 39.6 -89.2-101.1 178.4 102.1 66.8 39.0 51 51 A D H > S+ 0 0 62 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.909 124.7 51.9 -56.1 -45.2 99.8 67.3 42.0 52 52 A D H > S+ 0 0 115 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.885 110.0 48.6 -59.7 -41.9 100.9 70.9 42.7 53 53 A E H > S+ 0 0 97 2,-0.2 4,-1.3 1,-0.2 -1,-0.2 0.835 113.2 47.4 -69.1 -32.2 100.2 72.0 39.1 54 54 A F H X S+ 0 0 0 -4,-1.8 4,-2.4 2,-0.2 -2,-0.2 0.891 109.0 53.8 -75.3 -38.3 96.8 70.4 39.2 55 55 A K H X S+ 0 0 21 -4,-2.8 4,-2.2 1,-0.2 -2,-0.2 0.874 108.7 50.8 -61.6 -35.5 96.1 72.0 42.5 56 56 A Q H X S+ 0 0 79 -4,-1.8 4,-2.3 2,-0.2 -1,-0.2 0.849 107.1 53.7 -70.1 -33.8 96.9 75.3 40.9 57 57 A L H X S+ 0 0 22 -4,-1.3 4,-1.4 2,-0.2 -2,-0.2 0.915 112.0 43.8 -68.2 -40.1 94.6 74.4 38.0 58 58 A V H X S+ 0 0 0 -4,-2.4 4,-2.3 2,-0.2 -2,-0.2 0.871 110.3 57.8 -72.1 -34.0 91.7 73.8 40.5 59 59 A R H X S+ 0 0 60 -4,-2.2 4,-0.7 1,-0.2 -2,-0.2 0.956 108.1 43.9 -60.7 -52.4 92.7 77.0 42.4 60 60 A D H < S+ 0 0 86 -4,-2.3 3,-0.4 1,-0.2 4,-0.4 0.851 111.9 57.2 -61.7 -33.9 92.3 79.3 39.4 61 61 A S H < S+ 0 0 17 -4,-1.4 3,-0.5 1,-0.2 -1,-0.2 0.923 113.4 35.5 -64.0 -47.5 89.1 77.5 38.6 62 62 A I H >< S+ 0 0 1 -4,-2.3 3,-1.6 1,-0.2 -1,-0.2 0.390 89.8 100.4 -91.5 6.9 87.4 78.2 42.0 63 63 A K G >< S+ 0 0 118 -4,-0.7 3,-1.0 -3,-0.4 -1,-0.2 0.827 79.0 52.5 -60.6 -37.1 88.9 81.6 42.4 64 64 A D G 3 S+ 0 0 147 -3,-0.5 -1,-0.3 -4,-0.4 -2,-0.1 0.398 111.9 48.6 -81.3 3.5 85.8 83.5 41.2 65 65 A F G < S+ 0 0 80 -3,-1.6 2,-0.5 2,-0.0 -1,-0.2 0.138 88.7 108.6-124.9 15.6 83.8 81.5 43.8 66 66 A T < + 0 0 48 -3,-1.0 3,-0.1 1,-0.2 -3,-0.0 -0.844 22.7 155.1-106.2 127.1 86.0 82.1 46.8 67 67 A D S S+ 0 0 154 -2,-0.5 2,-0.6 1,-0.3 -1,-0.2 0.716 75.7 48.8-105.4 -47.5 85.2 84.3 49.8 68 68 A D > - 0 0 81 1,-0.2 4,-1.8 2,-0.0 -1,-0.3 -0.884 65.8-161.4-101.3 118.0 87.4 82.6 52.4 69 69 A Q H > S+ 0 0 166 -2,-0.6 4,-2.3 1,-0.2 5,-0.2 0.891 93.7 51.1 -64.1 -41.6 91.0 81.9 51.3 70 70 A A H > S+ 0 0 70 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.830 108.5 51.5 -65.7 -34.3 91.5 79.3 54.0 71 71 A Q H > S+ 0 0 56 2,-0.2 4,-1.4 1,-0.2 -1,-0.2 0.889 109.4 50.8 -70.4 -38.7 88.3 77.4 53.0 72 72 A A H X S+ 0 0 6 -4,-1.8 4,-2.6 1,-0.2 3,-0.4 0.961 112.1 45.9 -62.7 -50.8 89.4 77.3 49.4 73 73 A E H X S+ 0 0 77 -4,-2.3 4,-1.5 1,-0.2 -1,-0.2 0.800 108.0 56.3 -63.1 -33.8 92.9 75.9 50.3 74 74 A A H < S+ 0 0 41 -4,-1.6 -1,-0.2 2,-0.2 -2,-0.2 0.844 111.8 44.7 -67.8 -33.4 91.4 73.3 52.6 75 75 A F H >< S+ 0 0 0 -4,-1.4 3,-2.8 -3,-0.4 -2,-0.2 0.964 108.5 55.4 -73.2 -51.9 89.3 72.1 49.8 76 76 A I H >< S+ 0 0 1 -4,-2.6 3,-2.0 1,-0.3 -2,-0.2 0.778 94.6 70.1 -52.7 -31.1 92.2 72.1 47.2 77 77 A E T 3< S+ 0 0 98 -4,-1.5 -1,-0.3 1,-0.3 -2,-0.2 0.624 88.3 64.9 -64.7 -12.7 94.2 69.9 49.6 78 78 A H T < S+ 0 0 18 -3,-2.8 -37,-2.8 -4,-0.1 2,-0.3 0.406 88.0 94.1 -91.4 4.3 91.8 67.1 48.7 79 79 A F E < +c 41 0A 4 -3,-2.0 2,-0.3 -39,-0.2 -37,-0.2 -0.713 43.1 165.3-102.1 150.9 92.9 67.0 45.1 80 80 A S E -c 42 0A 22 -39,-1.6 -37,-2.8 -2,-0.3 2,-0.3 -0.921 17.7-146.4-150.8 166.2 95.5 64.9 43.3 81 81 A Y E -c 43 0A 3 -2,-0.3 2,-0.3 -39,-0.2 -37,-0.2 -0.990 10.6-173.2-143.5 152.1 96.3 64.2 39.6 82 82 A R E -c 44 0A 55 -39,-1.6 -37,-0.7 -2,-0.3 2,-0.2 -0.962 26.1-128.8-148.6 121.7 97.7 61.4 37.5 83 83 A A E +c 45 0A 39 -2,-0.3 2,-0.3 -34,-0.3 -37,-0.2 -0.526 43.6 164.0 -68.3 136.7 98.6 61.5 33.8 84 84 A H - 0 0 8 -39,-2.9 2,-0.7 -2,-0.2 -37,-0.1 -0.960 38.9-138.0-162.8 141.1 96.8 58.7 32.0 85 85 A D > - 0 0 64 -2,-0.3 3,-1.8 3,-0.2 6,-0.2 -0.883 12.2-155.8-103.0 116.7 95.8 57.4 28.6 86 86 A V T 3 S+ 0 0 21 -2,-0.7 -1,-0.1 1,-0.3 43,-0.1 0.702 94.1 55.9 -64.0 -20.7 92.3 55.9 28.5 87 87 A T T 3 S+ 0 0 80 1,-0.1 2,-0.7 -3,-0.0 -1,-0.3 0.492 92.4 82.0 -89.7 -4.5 93.2 53.8 25.5 88 88 A D <> - 0 0 77 -3,-1.8 4,-0.6 1,-0.2 3,-0.3 -0.893 60.6-166.9-106.3 108.8 96.2 52.2 27.2 89 89 A A T >4 S+ 0 0 27 -2,-0.7 3,-2.0 1,-0.2 4,-0.4 0.945 88.3 54.2 -57.1 -52.3 95.1 49.3 29.5 90 90 A A T >4 S+ 0 0 70 1,-0.3 3,-1.6 2,-0.2 4,-0.3 0.825 98.8 65.6 -53.5 -33.2 98.4 49.1 31.3 91 91 A S T >> S+ 0 0 18 -3,-0.3 3,-1.6 1,-0.3 4,-1.0 0.759 84.3 72.6 -63.1 -26.9 98.2 52.8 32.1 92 92 A Y H S+ 0 0 57 -3,-1.6 4,-1.5 -4,-0.4 -1,-0.3 0.798 97.9 51.3 -67.5 -27.5 97.5 50.6 36.9 94 94 A V H <> S+ 0 0 60 -3,-1.6 4,-1.6 -4,-0.3 -1,-0.2 0.845 111.7 45.6 -77.4 -33.9 98.9 54.1 37.6 95 95 A L H X S+ 0 0 0 -4,-1.0 4,-2.1 2,-0.2 -2,-0.2 0.857 107.9 58.0 -75.5 -36.6 95.5 55.6 38.1 96 96 A K H X S+ 0 0 71 -4,-2.6 4,-2.4 1,-0.2 5,-0.2 0.944 107.3 49.2 -56.6 -45.5 94.5 52.7 40.3 97 97 A E H X S+ 0 0 103 -4,-1.5 4,-2.0 1,-0.2 -2,-0.2 0.884 108.7 50.3 -62.7 -44.6 97.5 53.6 42.5 98 98 A A H X S+ 0 0 3 -4,-1.6 4,-1.3 1,-0.2 -1,-0.2 0.857 112.0 50.6 -64.3 -32.4 96.6 57.3 42.7 99 99 A I H X S+ 0 0 2 -4,-2.1 4,-2.1 2,-0.2 -2,-0.2 0.925 109.7 47.1 -71.4 -47.2 93.1 56.3 43.7 100 100 A E H X S+ 0 0 82 -4,-2.4 4,-1.7 1,-0.2 -2,-0.2 0.857 111.5 51.7 -65.2 -35.0 94.1 53.9 46.5 101 101 A E H X S+ 0 0 106 -4,-2.0 4,-2.8 2,-0.2 -1,-0.2 0.856 109.0 51.3 -70.6 -31.0 96.5 56.4 47.9 102 102 A A H X S+ 0 0 7 -4,-1.3 4,-2.0 2,-0.2 -2,-0.2 0.909 109.5 50.0 -70.6 -39.8 93.7 59.0 48.0 103 103 A A H <>S+ 0 0 11 -4,-2.1 5,-2.4 2,-0.2 4,-0.4 0.821 114.2 45.7 -68.0 -30.8 91.5 56.6 49.8 104 104 A D H ><5S+ 0 0 134 -4,-1.7 3,-0.7 3,-0.2 -2,-0.2 0.938 110.0 51.9 -77.5 -47.5 94.3 55.9 52.4 105 105 A K H 3<5S+ 0 0 131 -4,-2.8 -2,-0.2 1,-0.2 -3,-0.2 0.873 124.5 28.0 -57.9 -39.1 95.2 59.6 52.9 106 106 A F T 3<5S- 0 0 37 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.310 107.2-119.3-107.1 7.7 91.6 60.6 53.6 107 107 A D T < 5 + 0 0 117 -3,-0.7 2,-0.5 -4,-0.4 -3,-0.2 0.967 50.2 164.1 53.2 63.2 90.3 57.3 55.0 108 108 A I < - 0 0 10 -5,-2.4 2,-0.9 -6,-0.1 -1,-0.2 -0.952 27.0-153.5-112.0 126.0 87.6 56.5 52.4 109 109 A D - 0 0 122 -2,-0.5 2,-0.2 28,-0.0 -104,-0.1 -0.849 59.4 -57.3-104.4 98.0 86.3 53.0 52.3 110 110 A G S S+ 0 0 8 -2,-0.9 30,-0.3 1,-0.1 -103,-0.1 -0.526 80.3 132.1 73.4-133.6 85.0 52.3 48.8 111 111 A N + 0 0 36 28,-0.9 -104,-2.4 -2,-0.2 2,-0.4 0.918 38.6 178.5 48.2 64.8 82.3 54.8 47.6 112 112 A R E -bd 7 142A 28 29,-2.8 31,-2.4 -106,-0.2 2,-0.5 -0.791 20.0-169.3-105.3 137.3 83.7 55.7 44.2 113 113 A I E -bd 8 143A 0 -106,-2.8 -104,-2.6 -2,-0.4 2,-0.5 -0.990 8.3-159.5-122.9 124.3 82.2 58.0 41.6 114 114 A F E -bd 9 144A 0 29,-2.9 31,-3.1 -2,-0.5 2,-0.6 -0.935 3.6-163.5-109.6 123.1 83.7 58.0 38.1 115 115 A Y E -bd 10 145A 0 -106,-2.6 -104,-2.9 -2,-0.5 2,-1.1 -0.918 5.4-160.4-109.7 119.0 83.1 61.0 35.9 116 116 A M E +bd 11 146A 0 29,-2.1 2,-0.9 -2,-0.6 31,-0.8 -0.722 21.3 163.8-100.1 86.2 83.7 60.7 32.1 117 117 A S + 0 0 21 -106,-2.2 2,-0.2 -2,-1.1 -102,-0.2 -0.461 48.7 99.5 -96.7 56.5 84.1 64.3 30.9 118 118 A V S S- 0 0 39 -2,-0.9 29,-0.1 1,-0.1 5,-0.1 -0.705 85.6 -54.3-130.2-177.5 85.7 63.1 27.7 119 119 A A > - 0 0 32 -2,-0.2 3,-2.5 1,-0.1 4,-0.5 -0.408 51.8-120.1 -64.2 134.3 84.8 62.4 24.0 120 120 A P G > S+ 0 0 70 0, 0.0 3,-1.1 0, 0.0 4,-0.4 0.745 106.9 71.8 -46.4 -29.4 81.8 60.0 23.8 121 121 A R G 3 S+ 0 0 197 1,-0.2 4,-0.2 2,-0.1 -2,-0.1 0.620 97.4 49.1 -67.4 -12.3 83.9 57.5 21.8 122 122 A F G <> S+ 0 0 47 -3,-2.5 4,-2.4 2,-0.1 5,-0.3 0.576 84.4 96.1 -99.8 -13.8 85.9 56.5 25.0 123 123 A F H <> S+ 0 0 0 -3,-1.1 4,-1.6 -4,-0.5 -2,-0.1 0.863 90.3 34.5 -43.5 -56.9 82.8 56.0 27.2 124 124 A G H > S+ 0 0 5 -4,-0.4 4,-2.4 1,-0.2 -1,-0.2 0.836 114.6 58.5 -72.6 -32.0 82.5 52.3 26.9 125 125 A T H > S+ 0 0 54 -4,-0.2 4,-1.7 2,-0.2 -2,-0.2 0.885 107.7 46.0 -64.1 -41.4 86.2 51.6 26.7 126 126 A I H X S+ 0 0 0 -4,-2.4 4,-2.3 2,-0.2 -1,-0.2 0.934 111.2 53.2 -66.8 -47.7 86.8 53.3 30.1 127 127 A A H X S+ 0 0 0 -4,-1.6 4,-1.3 -5,-0.3 -2,-0.2 0.932 109.6 47.3 -53.2 -51.2 83.9 51.4 31.6 128 128 A K H X S+ 0 0 97 -4,-2.4 4,-2.2 1,-0.2 -1,-0.2 0.870 113.8 48.4 -61.5 -36.1 85.3 48.0 30.5 129 129 A Y H X S+ 0 0 69 -4,-1.7 4,-2.6 1,-0.2 6,-0.2 0.803 100.9 63.1 -76.0 -28.4 88.8 48.9 31.7 130 130 A L H <>S+ 0 0 0 -4,-2.3 5,-2.6 -3,-0.2 6,-0.9 0.902 112.2 39.6 -61.6 -36.9 87.5 50.1 35.1 131 131 A K H ><5S+ 0 0 117 -4,-1.3 3,-1.7 3,-0.2 -2,-0.2 0.986 119.6 41.1 -75.2 -60.7 86.3 46.5 35.6 132 132 A S H 3<5S+ 0 0 72 -4,-2.2 -2,-0.2 1,-0.3 -3,-0.2 0.847 118.0 46.9 -59.0 -39.6 89.2 44.5 34.1 133 133 A E T 3<5S- 0 0 68 -4,-2.6 -1,-0.3 -5,-0.2 -2,-0.2 0.332 112.3-120.9 -87.5 8.7 91.9 46.7 35.5 134 134 A G T < 5 + 0 0 33 -3,-1.7 -3,-0.2 1,-0.1 -4,-0.1 0.849 66.0 138.5 57.5 46.1 90.3 46.6 39.0 135 135 A L < + 0 0 2 -5,-2.6 2,-0.2 -6,-0.2 -4,-0.2 0.461 44.5 104.8 -94.4 -1.4 89.6 50.3 39.7 136 136 A L S S- 0 0 29 -6,-0.9 2,-0.1 -5,-0.2 6,-0.1 -0.547 77.0-112.7 -80.6 142.5 86.2 49.4 41.1 137 137 A A - 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0 0 18 -31,-0.8 -30,-0.0 -2,-0.4 30,-0.0 -0.322 44.3 -47.4 -82.4 163.7 78.2 62.8 29.7 148 148 A K S S+ 0 0 107 2,-0.1 -1,-0.1 -2,-0.1 2,-0.1 -0.479 102.5 46.8 -73.5 149.4 76.0 63.6 26.8 149 149 A P - 0 0 53 0, 0.0 2,-1.3 0, 0.0 -2,-0.1 0.583 53.6-164.3-101.5 159.5 75.2 62.2 24.4 150 150 A F S S- 0 0 19 1,-0.1 7,-0.1 -4,-0.1 3,-0.1 -0.674 71.6 -43.8 -95.8 76.8 74.2 58.6 25.1 151 151 A G - 0 0 14 -2,-1.3 3,-0.1 5,-0.1 -1,-0.1 -0.117 49.8-115.2 89.4 171.6 74.4 57.3 21.5 152 152 A T S S+ 0 0 89 1,-0.3 2,-0.3 -3,-0.1 -1,-0.1 0.188 95.9 6.7-128.7 8.4 73.2 58.7 18.2 153 153 A S S > S- 0 0 27 -3,-0.1 4,-1.8 1,-0.1 -1,-0.3 -0.926 90.6 -89.2-172.7 175.7 70.7 56.0 17.5 154 154 A Y H > S+ 0 0 68 286,-0.3 4,-2.6 -2,-0.3 5,-0.2 0.885 123.6 55.2 -69.7 -36.6 69.2 53.0 19.3 155 155 A D H > S+ 0 0 117 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.971 110.2 41.9 -59.1 -57.3 72.0 50.8 18.0 156 156 A T H > S+ 0 0 55 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.904 117.5 48.5 -59.4 -39.9 74.9 52.9 19.2 157 157 A A H X S+ 0 0 0 -4,-1.8 4,-2.8 1,-0.2 -1,-0.2 0.871 110.6 50.8 -69.1 -34.7 73.2 53.5 22.5 158 158 A A H X S+ 0 0 29 -4,-2.6 4,-2.2 2,-0.2 -1,-0.2 0.871 111.3 48.6 -69.7 -35.5 72.4 49.8 22.9 159 159 A E H X S+ 0 0 133 -4,-2.4 4,-1.7 2,-0.2 -2,-0.2 0.913 112.2 49.1 -69.7 -41.3 76.1 49.0 22.2 160 160 A L H X S+ 0 0 20 -4,-2.5 4,-2.5 2,-0.2 3,-0.3 0.939 110.6 49.2 -63.5 -48.3 77.1 51.6 24.8 161 161 A Q H X S+ 0 0 4 -4,-2.8 4,-2.6 1,-0.2 -1,-0.2 0.934 108.7 54.9 -56.8 -44.4 74.7 50.3 27.4 162 162 A N H < S+ 0 0 110 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.842 110.3 45.6 -58.4 -37.8 76.1 46.8 26.7 163 163 A D H >< S+ 0 0 35 -4,-1.7 3,-1.3 -3,-0.3 -1,-0.2 0.893 112.1 50.7 -72.6 -42.7 79.7 48.0 27.4 164 164 A L H >X S+ 0 0 0 -4,-2.5 4,-2.5 1,-0.3 3,-2.0 0.877 100.4 63.1 -65.3 -35.6 78.7 49.8 30.5 165 165 A E T 3< S+ 0 0 99 -4,-2.6 -1,-0.3 1,-0.3 -2,-0.2 0.492 85.5 77.5 -70.4 0.3 76.9 46.8 32.0 166 166 A N T <4 S+ 0 0 88 -3,-1.3 -1,-0.3 -5,-0.2 -2,-0.2 0.694 116.5 12.7 -78.5 -22.8 80.2 45.0 32.0 167 167 A A T <4 S+ 0 0 17 -3,-2.0 2,-0.3 -4,-0.2 -2,-0.2 0.598 130.7 35.5-124.1 -30.2 81.2 47.0 35.1 168 168 A F < - 0 0 4 -4,-2.5 2,-0.3 -25,-0.0 -1,-0.2 -0.802 68.2-123.7-127.1 167.4 78.0 48.6 36.4 169 169 A D > - 0 0 105 -2,-0.3 3,-2.0 -3,-0.1 4,-0.4 -0.680 40.9-103.0-100.8 163.8 74.3 48.0 36.7 170 170 A D G > S+ 0 0 33 1,-0.3 3,-1.6 -2,-0.3 -1,-0.1 0.864 121.2 57.9 -57.8 -36.9 71.8 50.4 35.1 171 171 A N G 3 S+ 0 0 107 1,-0.3 -1,-0.3 3,-0.1 256,-0.0 0.458 101.6 56.7 -74.5 -0.9 71.0 51.9 38.5 172 172 A Q G < S+ 0 0 38 -3,-2.0 -28,-2.5 -29,-0.1 2,-0.5 0.429 90.2 93.1-102.4 -6.3 74.7 52.8 39.0 173 173 A L E < -e 144 0A 0 -3,-1.6 2,-0.6 -4,-0.4 -28,-0.2 -0.795 54.6-171.6 -93.8 125.5 74.7 54.8 35.7 174 174 A F E -e 145 0A 3 -30,-3.2 -28,-1.9 -2,-0.5 2,-0.6 -0.915 7.6-161.0-120.8 101.0 74.0 58.5 36.0 175 175 A R E -e 146 0A 13 -2,-0.6 256,-0.4 256,-0.4 2,-0.3 -0.749 27.0-114.7 -85.4 119.4 73.5 60.1 32.6 176 176 A I + 0 0 11 -30,-2.9 2,-0.6 -2,-0.6 -1,-0.1 -0.304 38.2 178.6 -58.2 113.0 73.9 63.9 32.6 177 177 A D > - 0 0 16 -2,-0.3 4,-1.5 252,-0.2 3,-0.2 -0.907 14.3-167.4-121.9 103.3 70.5 65.4 31.7 178 178 A H T 4 S+ 0 0 51 -2,-0.6 -1,-0.1 1,-0.2 -2,-0.0 0.761 87.4 43.8 -61.2 -30.8 70.6 69.2 31.7 179 179 A Y T >4 S+ 0 0 25 1,-0.1 3,-1.1 2,-0.1 -1,-0.2 0.772 108.2 55.8 -88.3 -26.4 66.8 69.6 31.6 180 180 A L T 34 S+ 0 0 0 1,-0.3 -2,-0.2 -3,-0.2 -1,-0.1 0.830 102.0 59.3 -74.1 -30.6 65.9 67.0 34.2 181 181 A G T 3< S+ 0 0 6 -4,-1.5 2,-0.4 4,-0.1 -1,-0.3 0.196 82.7 115.7 -82.7 14.9 68.2 68.7 36.7 182 182 A K <> - 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0 0 66 -3,-0.8 4,-2.6 -4,-0.4 3,-2.1 -0.903 67.0-158.6-128.4 105.9 47.5 69.0 45.2 196 196 A P H 3> S+ 0 0 98 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.781 91.1 61.9 -48.3 -36.4 44.4 66.8 45.1 197 197 A I H 34 S+ 0 0 133 2,-0.2 4,-0.1 1,-0.2 -5,-0.1 0.723 115.3 31.9 -67.7 -21.8 42.6 69.1 42.7 198 198 A F H X> S+ 0 0 34 -3,-2.1 4,-1.1 -6,-0.3 3,-0.7 0.808 116.0 56.6 -98.4 -41.9 45.2 68.7 40.0 199 199 A D H >< S+ 0 0 26 -4,-2.6 3,-0.6 -7,-0.8 -2,-0.2 0.891 109.2 47.9 -55.7 -43.5 46.2 65.1 40.8 200 200 A A T 3< S+ 0 0 65 -4,-2.5 -1,-0.3 -5,-0.2 -2,-0.1 0.716 115.2 45.2 -72.0 -22.3 42.5 64.1 40.4 201 201 A A T <4 S+ 0 0 12 -3,-0.7 2,-2.6 -5,-0.2 5,-0.4 0.466 78.8 107.2-100.4 -3.6 42.2 65.9 37.0 202 202 A W S << S+ 0 0 2 -4,-1.1 2,-0.3 -3,-0.6 -1,-0.1 -0.318 71.0 68.8 -76.3 63.0 45.6 64.7 35.5 203 203 A N S >> S- 0 0 23 -2,-2.6 4,-2.4 124,-0.0 3,-1.1 -0.914 102.1 -72.3-160.7-176.7 43.9 62.3 33.1 204 204 A K T 34 S+ 0 0 78 122,-1.8 123,-0.1 -2,-0.3 122,-0.1 0.688 117.1 67.1 -62.9 -25.0 41.7 62.1 29.9 205 205 A D T 34 S+ 0 0 97 1,-0.1 -1,-0.2 121,-0.1 -3,-0.1 0.820 119.4 16.7 -69.2 -29.2 38.5 63.2 31.7 206 206 A Y T <4 S+ 0 0 130 -3,-1.1 146,-2.5 -5,-0.4 2,-0.4 0.652 110.0 79.5-116.9 -22.4 39.8 66.8 32.4 207 207 A I E < -F 351 0B 1 -4,-2.4 144,-0.3 144,-0.3 3,-0.1 -0.744 44.3-175.7 -96.5 132.6 42.8 67.3 30.1 208 208 A K E S- 0 0 58 142,-3.6 2,-0.3 -2,-0.4 143,-0.2 0.840 70.8 -29.7 -87.6 -42.7 42.4 68.2 26.4 209 209 A N E -F 350 0B 1 141,-1.7 141,-2.7 121,-0.2 2,-0.4 -0.971 51.4-128.5-169.7 157.7 46.0 68.1 25.5 210 210 A V E -Fg 349 332B 1 121,-1.9 123,-2.5 -2,-0.3 2,-0.4 -0.961 22.6-161.4-116.0 135.9 49.5 68.7 26.9 211 211 A Q E -Fg 348 333B 0 137,-2.7 137,-2.6 -2,-0.4 2,-0.5 -0.969 7.2-170.7-123.0 134.1 52.0 71.0 25.1 212 212 A V E -Fg 347 334B 1 121,-2.2 123,-1.7 -2,-0.4 2,-0.5 -0.980 8.8-173.9-124.6 119.5 55.8 71.1 25.6 213 213 A T E +Fg 346 335B 0 133,-2.8 133,-2.4 -2,-0.5 2,-0.2 -0.946 17.6 174.0-120.7 129.3 57.8 74.0 24.0 214 214 A L E +Fg 345 336B 1 121,-2.1 123,-1.0 -2,-0.5 2,-0.2 -0.643 24.7 170.1-127.5 69.8 61.6 74.4 23.8 215 215 A S E -Fg 344 337B 0 129,-2.2 129,-2.3 -2,-0.2 2,-0.3 -0.604 14.1-165.9 -86.9 146.8 62.0 77.4 21.6 216 216 A E - 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0 0 3 -256,-0.4 -256,-0.4 -2,-0.3 2,-0.1 -0.587 26.3-145.2 -82.7 142.5 66.7 58.6 33.1 432 432 A D > - 0 0 15 -2,-0.2 4,-1.8 -170,-0.1 5,-0.1 -0.319 33.1 -93.6 -93.4-175.6 67.1 54.9 33.2 433 433 A W H > S+ 0 0 48 2,-0.2 4,-3.4 1,-0.2 5,-0.3 0.899 122.0 56.0 -69.3 -38.5 67.8 52.6 30.2 434 434 A N H > S+ 0 0 46 1,-0.2 4,-2.2 2,-0.2 5,-0.3 0.935 109.9 45.8 -59.5 -45.4 64.1 51.8 29.6 435 435 A G H > S+ 0 0 0 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.906 117.2 44.2 -64.1 -41.4 63.3 55.5 29.2 436 436 A V H X S+ 0 0 14 -4,-1.8 4,-2.0 2,-0.2 -2,-0.2 0.884 112.8 50.4 -71.9 -38.7 66.4 56.1 27.0 437 437 A S H X S+ 0 0 8 -4,-3.4 4,-2.4 2,-0.2 -2,-0.2 0.892 112.9 45.5 -68.4 -40.3 65.9 53.0 24.8 438 438 A I H X S+ 0 0 13 -4,-2.2 4,-2.6 -5,-0.3 5,-0.2 0.927 110.0 55.1 -69.4 -40.2 62.2 53.8 24.1 439 439 A A H X S+ 0 0 0 -4,-1.8 4,-2.4 -5,-0.3 -2,-0.2 0.916 112.0 44.7 -57.6 -41.4 63.1 57.4 23.4 440 440 A W H X S+ 0 0 4 -4,-2.0 4,-2.8 2,-0.2 -286,-0.3 0.897 110.1 53.4 -70.0 -41.1 65.6 56.2 20.8 441 441 A K H X S+ 0 0 99 -4,-2.4 4,-1.2 2,-0.2 -2,-0.2 0.877 112.5 46.5 -61.5 -35.7 63.2 53.6 19.3 442 442 A F H X S+ 0 0 1 -4,-2.6 4,-1.3 2,-0.2 -167,-0.3 0.958 116.2 42.2 -69.7 -53.2 60.7 56.5 18.9 443 443 A V H X S+ 0 0 0 -4,-2.4 4,-2.8 1,-0.2 -2,-0.2 0.796 109.0 59.4 -66.1 -30.7 63.2 58.9 17.4 444 444 A D H X S+ 0 0 46 -4,-2.8 4,-2.5 2,-0.2 -1,-0.2 0.896 101.3 55.3 -66.1 -38.7 64.8 56.3 15.2 445 445 A A H X S+ 0 0 21 -4,-1.2 4,-1.2 -3,-0.2 -1,-0.2 0.934 112.4 42.9 -58.8 -45.2 61.5 55.6 13.5 446 446 A I H X S+ 0 0 0 -4,-1.3 4,-1.7 1,-0.2 3,-0.3 0.915 112.9 51.8 -68.9 -42.6 61.3 59.3 12.6 447 447 A S H X S+ 0 0 33 -4,-2.8 4,-2.4 1,-0.2 5,-0.3 0.844 102.8 59.7 -63.9 -34.2 64.9 59.6 11.6 448 448 A A H X S+ 0 0 61 -4,-2.5 4,-1.1 1,-0.2 -1,-0.2 0.896 107.1 47.0 -60.6 -39.3 64.5 56.6 9.2 449 449 A V H <>S+ 0 0 10 -4,-1.2 5,-2.4 -3,-0.3 -1,-0.2 0.877 112.5 50.0 -71.6 -35.6 61.9 58.5 7.3 450 450 A Y H ><5S+ 0 0 15 -4,-1.7 3,-1.1 3,-0.2 -2,-0.2 0.900 109.0 46.4 -73.2 -44.1 63.9 61.7 7.2 451 451 A T H 3<5S+ 0 0 128 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.839 112.8 52.9 -68.6 -27.4 67.2 60.4 5.8 452 452 A A T 3<5S- 0 0 62 -4,-1.1 -1,-0.3 -5,-0.3 -2,-0.2 0.498 110.5-128.6 -82.4 -4.2 65.2 58.4 3.2 453 453 A D T < 5 + 0 0 77 -3,-1.1 -3,-0.2 1,-0.1 -2,-0.1 0.747 64.0 140.1 59.4 30.0 63.5 61.7 2.3 454 454 A K < + 0 0 108 -5,-2.4 -4,-0.2 -6,-0.2 -1,-0.1 0.037 60.1 53.3 -89.1 26.5 60.1 60.1 2.7 455 455 A A S S- 0 0 10 -6,-0.2 -170,-0.0 -5,-0.2 -174,-0.0 -0.969 91.4-100.9-157.1 142.7 58.6 63.2 4.4 456 456 A P - 0 0 77 0, 0.0 2,-0.6 0, 0.0 -170,-0.5 -0.264 23.5-138.7 -68.3 154.2 58.5 66.9 3.4 457 457 A L E -i 286 0B 51 -172,-0.1 -170,-0.2 -4,-0.1 2,-0.1 -0.970 23.2-160.3-112.2 115.6 60.9 69.5 4.8 458 458 A E E -i 287 0B 68 -172,-2.9 -170,-1.9 -2,-0.6 2,-0.3 -0.300 2.5-144.8 -87.4 175.7 59.1 72.8 5.6 459 459 A T E -i 288 0B 97 -172,-0.2 2,-0.3 -2,-0.1 -170,-0.2 -0.938 11.8-168.3-136.5 160.9 60.6 76.3 6.0 460 460 A Y E -i 289 0B 12 -172,-1.1 -170,-2.5 -2,-0.3 2,-0.2 -0.995 31.3 -98.9-152.3 151.4 59.7 79.2 8.2 461 461 A K > - 0 0 136 -2,-0.3 3,-2.0 5,-0.2 2,-0.5 -0.520 47.6-109.7 -70.2 132.3 60.5 82.9 8.6 462 462 A S T 3 S+ 0 0 12 -171,-1.0 -122,-0.2 1,-0.3 -169,-0.1 -0.551 107.6 39.5 -66.7 118.8 63.1 83.4 11.4 463 463 A G T 3 S+ 0 0 44 -124,-2.1 -1,-0.3 1,-0.5 -123,-0.2 0.194 95.5 99.1 125.2 -12.0 61.3 85.0 14.2 464 464 A S S < S- 0 0 38 -3,-2.0 -123,-1.2 -125,-0.4 -1,-0.5 -0.266 85.7-107.3 -93.4-177.4 58.1 83.1 13.9 465 465 A M S S- 0 0 24 1,-0.4 -125,-0.1 -125,-0.2 -3,-0.1 0.179 77.6 -76.2 -96.0 16.7 57.0 80.0 16.0 466 466 A G S S- 0 0 12 -5,-0.3 -1,-0.4 -127,-0.1 -5,-0.2 -0.659 71.6 -34.4 118.9-179.0 57.6 77.7 13.1 467 467 A P >> - 0 0 8 0, 0.0 3,-1.7 0, 0.0 4,-0.6 -0.347 55.8-109.7 -74.6 163.5 55.8 76.7 9.8 468 468 A E H >> S+ 0 0 168 1,-0.3 4,-2.5 2,-0.2 3,-0.7 0.779 114.3 73.7 -64.4 -24.1 52.0 76.6 9.4 469 469 A A H 3> S+ 0 0 22 1,-0.3 4,-1.8 2,-0.2 -1,-0.3 0.831 90.7 59.1 -58.5 -28.8 52.3 72.8 9.2 470 470 A S H <> S+ 0 0 1 -3,-1.7 4,-1.0 1,-0.2 -1,-0.3 0.881 109.0 41.9 -67.6 -38.7 52.9 73.0 12.9 471 471 A D H <>S+ 0 0 0 -4,-1.0 5,-2.4 1,-0.2 3,-2.1 0.899 109.8 62.4 -77.1 -38.1 47.1 70.8 16.2 475 475 A A H ><5S+ 0 0 64 -4,-2.7 3,-1.2 1,-0.3 -1,-0.2 0.802 90.0 72.3 -58.0 -25.8 44.1 72.1 14.3 476 476 A A T 3<5S+ 0 0 73 -4,-1.4 -1,-0.3 1,-0.3 -2,-0.2 0.747 107.7 32.7 -60.7 -27.9 43.5 68.5 13.1 477 477 A N T < 5S- 0 0 79 -3,-2.1 -1,-0.3 -4,-0.2 -2,-0.2 0.275 124.8 -98.2-110.7 7.2 42.3 67.6 16.6 478 478 A G T < 5S+ 0 0 54 -3,-1.2 2,-0.3 -4,-0.4 -3,-0.2 0.804 85.7 122.9 79.9 31.3 40.7 71.0 17.3 479 479 A D < - 0 0 11 -5,-2.4 2,-0.3 -8,-0.1 -1,-0.3 -0.781 38.7-169.4-121.5 166.7 43.7 72.2 19.3 480 480 A A - 0 0 67 -2,-0.3 2,-0.2 -6,-0.1 -9,-0.1 -0.984 35.2 -89.5-153.2 153.6 46.1 75.2 19.1 481 481 A W - 0 0 13 -2,-0.3 -10,-0.0 1,-0.1 -270,-0.0 -0.476 25.8-155.1 -67.5 131.5 49.3 76.3 20.6 482 482 A V S S+ 0 0 32 -2,-0.2 2,-0.8 1,-0.1 -1,-0.1 0.924 82.7 65.6 -72.7 -45.1 48.8 78.4 23.8 483 483 A F + 0 0 20 1,-0.2 -1,-0.1 -137,-0.0 -2,-0.1 -0.701 58.9 176.0 -82.4 107.9 52.2 80.2 23.5 484 484 A K 0 0 183 -2,-0.8 -1,-0.2 1,-0.4 -19,-0.1 0.389 360.0 360.0 -93.4 3.0 52.0 82.3 20.4 485 485 A G 0 0 66 -20,-0.1 -1,-0.4 -21,-0.1 -21,-0.1 -0.505 360.0 360.0 120.0 360.0 55.4 83.9 20.9