==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=31-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 08-DEC-10 2Y1C . COMPND 2 MOLECULE: 1-DEOXY-D-XYLULOSE 5-PHOSPHATE REDUCTOISOMERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: MYCOBACTERIUM TUBERCULOSIS; . AUTHOR L.M.HENRIKSSON,A.M.S.LARSSON,T.BERGFORS,C.BJORKELID,T.UNGE, . 751 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 29060.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 551 73.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 70 9.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 46 6.1 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 . 2 0.3 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 . 46 6.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 94 12.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 264 35.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 9 1.2 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 3 2 1 0 3 4 3 5 3 0 2 0 0 2 0 0 1 1 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 2 4 4 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 PARALLEL BRIDGES PER LADDER . 0 2 0 0 6 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 . 1 0 0 0 0 2 0 0 1 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 11 A G 0 0 101 0, 0.0 2,-0.5 0, 0.0 26,-0.0 0.000 360.0 360.0 360.0 38.2 12.5 16.4 31.1 2 12 A R - 0 0 126 27,-0.1 2,-0.3 1,-0.0 27,-0.3 -0.778 360.0-142.3 -89.8 122.5 15.0 19.2 31.7 3 13 A L E -a 29 0A 39 25,-3.6 27,-2.5 -2,-0.5 2,-0.6 -0.669 4.1-134.3 -96.4 136.1 18.0 17.9 33.7 4 14 A R E -a 30 0A 73 -2,-0.3 79,-2.5 25,-0.2 78,-2.5 -0.775 29.0-162.4 -87.8 123.3 19.8 19.8 36.4 5 15 A V E -ab 31 83A 0 25,-3.2 27,-2.9 -2,-0.6 28,-1.0 -0.917 17.8-159.6-118.3 126.9 23.5 19.5 35.9 6 16 A V E -ab 33 84A 1 77,-2.8 79,-3.3 -2,-0.5 2,-0.8 -0.918 16.0-155.9 -96.6 123.1 26.4 20.1 38.3 7 17 A V E -ab 34 85A 0 26,-3.0 28,-1.8 -2,-0.6 3,-0.5 -0.874 8.2-169.3-104.9 104.6 29.6 20.6 36.3 8 18 A L E S+ab 35 86A 0 77,-3.3 79,-2.4 -2,-0.8 28,-0.2 -0.784 76.8 20.7 -90.2 133.1 32.8 19.8 38.3 9 19 A G S > S+ 0 0 9 26,-2.8 3,-0.9 -2,-0.4 6,-0.6 0.911 79.4 167.9 76.7 46.8 36.0 20.9 36.7 10 20 A S T 3 + 0 0 0 25,-1.9 9,-0.2 -3,-0.5 26,-0.1 0.644 61.1 59.3 -72.5 -19.6 34.1 23.4 34.6 11 21 A T T 3 S+ 0 0 25 24,-0.3 -1,-0.2 4,-0.2 25,-0.1 0.576 90.6 81.6 -92.2 -11.8 37.1 25.5 33.3 12 22 A G S <> S- 0 0 38 -3,-0.9 4,-2.5 75,-0.1 5,-0.3 -0.156 100.2 -82.3 -81.4-176.0 39.0 22.6 31.6 13 23 A S H > S+ 0 0 83 1,-0.2 4,-2.0 2,-0.2 5,-0.2 0.908 127.8 41.7 -52.9 -54.8 38.4 21.1 28.1 14 24 A I H > S+ 0 0 33 1,-0.2 4,-2.8 2,-0.2 -1,-0.2 0.924 115.7 51.0 -64.0 -45.0 35.5 18.7 29.1 15 25 A G H > S+ 0 0 0 -6,-0.6 4,-2.3 72,-0.2 -2,-0.2 0.888 110.9 46.3 -60.1 -44.6 33.8 21.3 31.3 16 26 A T H X S+ 0 0 41 -4,-2.5 4,-1.7 2,-0.2 -1,-0.2 0.886 114.3 47.9 -69.2 -40.3 33.8 24.1 28.7 17 27 A Q H X S+ 0 0 34 -4,-2.0 4,-2.7 -5,-0.3 -2,-0.2 0.917 110.8 52.3 -64.3 -43.9 32.5 21.8 26.0 18 28 A A H X S+ 0 0 0 -4,-2.8 4,-2.7 1,-0.2 -2,-0.2 0.923 108.1 50.8 -55.3 -47.1 29.8 20.5 28.4 19 29 A L H X S+ 0 0 20 -4,-2.3 4,-2.8 2,-0.2 -1,-0.2 0.871 110.3 49.8 -60.0 -37.9 28.7 24.1 29.2 20 30 A Q H X S+ 0 0 97 -4,-1.7 4,-2.2 2,-0.2 -2,-0.2 0.925 110.1 50.0 -66.8 -44.6 28.5 24.8 25.4 21 31 A V H X S+ 0 0 4 -4,-2.7 4,-0.8 2,-0.2 -2,-0.2 0.927 113.9 46.1 -55.8 -45.9 26.4 21.6 25.0 22 32 A I H >< S+ 0 0 7 -4,-2.7 3,-0.7 1,-0.2 7,-0.3 0.913 110.0 53.1 -66.6 -42.9 24.1 22.8 27.8 23 33 A A H 3< S+ 0 0 74 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.872 110.2 48.7 -56.8 -39.2 23.9 26.3 26.4 24 34 A D H 3< S+ 0 0 117 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.639 117.1 42.5 -76.0 -16.1 22.8 24.9 23.0 25 35 A N XX + 0 0 35 -4,-0.8 4,-2.4 -3,-0.7 3,-1.1 -0.462 59.6 154.2-131.3 61.2 20.2 22.7 24.6 26 36 A P T 34 S+ 0 0 64 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.744 76.0 60.4 -64.9 -20.8 18.3 24.7 27.4 27 37 A D T 34 S+ 0 0 140 1,-0.1 3,-0.1 -3,-0.1 -2,-0.1 0.770 114.5 34.2 -73.4 -27.4 15.3 22.4 27.0 28 38 A R T <4 S+ 0 0 26 -3,-1.1 -25,-3.6 1,-0.2 2,-0.3 0.809 124.4 29.7 -92.6 -37.9 17.3 19.3 27.9 29 39 A F E < -a 3 0A 1 -4,-2.4 2,-0.4 -7,-0.3 -25,-0.2 -0.932 48.6-171.8-135.0 152.1 19.7 20.8 30.5 30 40 A E E -a 4 0A 69 -27,-2.5 -25,-3.2 -2,-0.3 2,-0.4 -0.988 26.6-130.8-139.9 124.6 20.1 23.5 33.1 31 41 A V E +a 5 0A 24 -2,-0.4 -25,-0.2 -27,-0.2 3,-0.1 -0.658 31.6 166.7 -75.6 127.2 23.4 24.2 34.9 32 42 A V E + 0 0 29 -27,-2.9 2,-0.3 -2,-0.4 -26,-0.2 0.437 61.1 20.4-119.8 -4.2 22.9 24.4 38.7 33 43 A G E -a 6 0A 0 -28,-1.0 -26,-3.0 20,-0.1 2,-0.4 -0.955 53.6-163.5-167.2 144.5 26.5 24.3 39.9 34 44 A L E -ac 7 56A 0 21,-1.7 23,-2.8 -2,-0.3 2,-0.4 -0.993 7.8-176.6-132.9 140.0 30.2 24.9 38.9 35 45 A A E +ac 8 57A 0 -28,-1.8 -26,-2.8 -2,-0.4 -25,-1.9 -0.997 8.6 163.7-139.0 134.1 33.4 23.8 40.5 36 46 A A E - c 0 58A 1 21,-2.2 23,-2.6 -2,-0.4 52,-0.1 -0.968 44.0-111.2-146.4 161.6 37.0 24.5 39.6 37 47 A G - 0 0 44 -2,-0.3 21,-0.1 21,-0.2 -1,-0.0 0.713 50.7-113.8 -67.0 -26.7 40.5 24.4 41.2 38 48 A G S > S+ 0 0 25 -3,-0.0 3,-1.5 20,-0.0 4,-0.2 -0.079 98.0 92.9 115.3 -33.4 41.2 28.1 41.5 39 49 A A T 3 S+ 0 0 94 1,-0.3 3,-0.4 2,-0.1 -3,-0.0 0.925 95.0 40.1 -55.2 -47.6 44.1 28.3 39.0 40 50 A H T >> S+ 0 0 75 1,-0.2 4,-2.1 2,-0.1 3,-1.0 -0.142 74.0 136.4 -94.8 38.4 41.6 29.2 36.2 41 51 A L H <> + 0 0 47 -3,-1.5 4,-2.8 1,-0.3 5,-0.3 0.816 68.0 63.1 -53.5 -32.5 39.5 31.5 38.5 42 52 A D H 3> S+ 0 0 98 -3,-0.4 4,-1.2 2,-0.2 -1,-0.3 0.897 106.8 41.7 -57.7 -44.3 39.4 33.9 35.6 43 53 A T H <> S+ 0 0 11 -3,-1.0 4,-2.6 2,-0.2 -2,-0.2 0.911 113.5 53.3 -69.4 -43.9 37.5 31.4 33.5 44 54 A L H X S+ 0 0 0 -4,-2.1 4,-2.2 1,-0.2 -2,-0.2 0.908 110.2 45.9 -61.3 -45.4 35.2 30.3 36.4 45 55 A L H X S+ 0 0 62 -4,-2.8 4,-1.8 2,-0.2 -1,-0.2 0.814 112.4 52.3 -67.8 -29.7 34.2 33.9 37.2 46 56 A R H X S+ 0 0 121 -4,-1.2 4,-1.4 -5,-0.3 -2,-0.2 0.882 109.4 49.8 -68.8 -39.0 33.6 34.4 33.4 47 57 A Q H X S+ 0 0 13 -4,-2.6 4,-2.2 2,-0.2 6,-0.3 0.842 107.4 54.0 -68.1 -35.6 31.4 31.2 33.5 48 58 A R H X S+ 0 0 58 -4,-2.2 4,-2.2 1,-0.2 -2,-0.2 0.956 107.7 51.2 -58.5 -50.7 29.5 32.6 36.5 49 59 A A H < S+ 0 0 83 -4,-1.8 -2,-0.2 1,-0.2 -1,-0.2 0.817 116.9 38.6 -55.0 -38.1 28.7 35.8 34.5 50 60 A Q H < S+ 0 0 149 -4,-1.4 -1,-0.2 1,-0.1 -2,-0.2 0.800 120.6 40.4 -88.7 -33.9 27.4 33.9 31.5 51 61 A T H < S- 0 0 55 -4,-2.2 -2,-0.2 2,-0.2 -3,-0.2 0.757 93.4-133.1 -86.4 -28.1 25.5 31.0 33.1 52 62 A G < + 0 0 56 -4,-2.2 2,-0.3 -5,-0.3 -4,-0.1 0.107 58.7 142.1 90.2 -18.8 23.9 33.0 35.9 53 63 A V + 0 0 14 -6,-0.3 -1,-0.3 1,-0.2 -2,-0.2 -0.390 23.2 169.9 -62.3 114.1 25.0 30.2 38.3 54 64 A T + 0 0 98 -2,-0.3 2,-1.9 -3,-0.1 -1,-0.2 0.624 54.8 97.7 -95.0 -20.4 26.1 31.6 41.6 55 65 A N + 0 0 36 -23,-0.1 -21,-1.7 9,-0.1 2,-0.3 -0.495 61.2 151.6 -71.7 84.2 26.3 28.2 43.2 56 66 A I E -c 34 0A 0 -2,-1.9 10,-1.6 -23,-0.2 2,-0.4 -0.906 35.4-154.8-128.3 145.7 30.0 27.8 42.7 57 67 A A E -cd 35 66A 0 -23,-2.8 -21,-2.2 -2,-0.3 2,-0.8 -0.960 9.7-152.9-120.9 135.7 32.9 26.0 44.4 58 68 A V E cd 36 67A 15 8,-2.4 10,-1.6 -2,-0.4 13,-0.2 -0.874 360.0 360.0-105.0 98.0 36.7 26.8 44.4 59 69 A A 0 0 22 -23,-2.6 10,-0.2 -2,-0.8 11,-0.2 -0.068 360.0 360.0 -71.3 360.0 38.1 23.3 44.9 60 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 61 77 A V 0 0 107 0, 0.0 6,-0.0 0, 0.0 -3,-0.0 0.000 360.0 360.0 360.0 62.5 37.5 34.2 46.6 62 78 A G - 0 0 74 1,-0.1 0, 0.0 0, 0.0 0, 0.0 0.966 360.0 -6.4 -72.4 -89.4 35.1 37.0 47.5 63 79 A D S S+ 0 0 127 3,-0.0 -1,-0.1 2,-0.0 3,-0.0 -0.232 88.2 145.9-105.4 41.7 31.5 35.9 47.7 64 80 A I - 0 0 9 1,-0.1 -9,-0.1 -9,-0.1 -6,-0.1 -0.726 45.8-144.1 -82.7 118.5 32.1 32.4 46.5 65 81 A P S S+ 0 0 70 0, 0.0 2,-0.4 0, 0.0 -8,-0.2 0.790 84.9 32.4 -53.7 -35.6 29.6 30.0 48.4 66 82 A Y E +d 57 0A 32 -10,-1.6 -8,-2.4 -3,-0.0 2,-0.3 -0.991 68.2 153.2-130.9 126.8 32.2 27.2 48.6 67 83 A H E +d 58 0A 98 -2,-0.4 2,-0.3 -10,-0.2 -8,-0.2 -0.990 32.5 56.5-148.0 149.0 36.0 27.4 48.9 68 84 A G S > S- 0 0 38 -10,-1.6 3,-0.7 -2,-0.3 4,-0.2 -0.814 94.2 -46.4 127.3-168.2 38.7 25.2 50.3 69 85 A S T 3 S+ 0 0 113 -2,-0.3 3,-0.2 1,-0.2 -1,-0.1 0.856 135.5 31.2 -71.4 -36.9 40.1 21.7 49.9 70 86 A D T 3> S+ 0 0 55 -3,-0.2 4,-2.4 -11,-0.2 -1,-0.2 0.010 82.8 119.3-111.9 25.4 36.7 19.8 50.0 71 87 A A H <> S+ 0 0 0 -3,-0.7 4,-2.2 -13,-0.2 -1,-0.2 0.830 74.3 50.5 -63.8 -38.5 34.6 22.6 48.4 72 88 A A H > S+ 0 0 3 -3,-0.2 4,-2.0 -4,-0.2 -1,-0.2 0.908 110.8 49.6 -66.0 -43.8 33.6 20.5 45.4 73 89 A T H > S+ 0 0 7 2,-0.2 4,-2.1 1,-0.2 -2,-0.2 0.927 112.2 48.4 -58.3 -47.2 32.5 17.7 47.6 74 90 A R H X S+ 0 0 76 -4,-2.4 4,-1.3 1,-0.2 -2,-0.2 0.891 108.5 54.0 -60.8 -42.9 30.5 20.1 49.8 75 91 A L H X S+ 0 0 0 -4,-2.2 4,-0.5 1,-0.2 -1,-0.2 0.894 109.4 48.5 -56.4 -44.4 28.9 21.7 46.6 76 92 A V H >< S+ 0 0 4 -4,-2.0 3,-0.9 1,-0.2 -2,-0.2 0.926 108.9 52.4 -64.2 -47.0 27.7 18.2 45.5 77 93 A E H 3< S+ 0 0 115 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.760 116.8 38.5 -59.5 -28.9 26.2 17.3 48.9 78 94 A Q H 3< S+ 0 0 126 -4,-1.3 2,-0.5 -3,-0.2 -1,-0.2 0.334 98.0 85.8-112.4 6.1 24.1 20.5 49.1 79 95 A T S << S- 0 0 26 -3,-0.9 2,-0.5 -4,-0.5 -73,-0.1 -0.942 71.0-133.2-114.9 124.0 22.9 21.0 45.5 80 96 A E + 0 0 139 -2,-0.5 2,-0.3 -48,-0.1 -3,-0.1 -0.640 47.0 148.8 -70.1 119.2 19.8 19.3 44.1 81 97 A A - 0 0 18 -2,-0.5 -76,-0.2 -5,-0.1 3,-0.1 -0.962 48.6-150.8-148.8 161.8 20.8 17.9 40.7 82 98 A D S S+ 0 0 54 -78,-2.5 24,-2.6 1,-0.3 2,-0.4 0.682 89.4 33.6-102.3 -31.5 20.0 15.0 38.4 83 99 A V E -be 5 106A 1 -79,-2.5 -77,-2.8 22,-0.2 2,-0.6 -0.992 60.2-163.6-132.2 131.7 23.4 14.8 36.8 84 100 A V E -be 6 107A 2 22,-3.1 24,-2.4 -2,-0.4 2,-0.7 -0.974 9.6-160.0-110.5 115.6 26.9 15.3 38.2 85 101 A L E -be 7 108A 0 -79,-3.3 -77,-3.3 -2,-0.6 2,-1.0 -0.872 6.1-163.1 -93.3 111.3 29.5 15.8 35.6 86 102 A N E +be 8 109A 0 22,-2.2 25,-2.5 -2,-0.7 24,-2.0 -0.765 29.6 150.6-101.7 89.9 32.9 15.1 37.2 87 103 A A + 0 0 15 -79,-2.4 -72,-0.2 -2,-1.0 -73,-0.2 -0.062 29.7 131.4-107.2 27.4 35.6 16.5 35.0 88 104 A L - 0 0 9 5,-0.1 2,-0.4 2,-0.1 24,-0.2 -0.420 55.3-122.4 -71.6 157.7 38.0 17.2 37.8 89 105 A V > - 0 0 120 22,-0.1 3,-0.9 -2,-0.1 4,-0.1 -0.857 56.5 -28.5-110.5 139.6 41.6 16.0 37.4 90 106 A G G > S- 0 0 29 -2,-0.4 3,-2.0 1,-0.2 4,-0.3 -0.148 120.7 -6.2 64.2-150.2 43.5 13.7 39.6 91 107 A A G >> S+ 0 0 66 1,-0.3 3,-1.2 2,-0.2 4,-0.5 0.726 121.3 74.2 -50.9 -31.2 43.0 13.3 43.4 92 108 A L G <4 S+ 0 0 87 -3,-0.9 -1,-0.3 1,-0.2 -2,-0.2 0.741 91.5 55.6 -54.6 -30.4 40.4 16.1 43.4 93 109 A G G <> S+ 0 0 0 -3,-2.0 4,-1.9 1,-0.1 -1,-0.2 0.656 87.9 76.4 -83.8 -16.3 37.7 14.0 41.7 94 110 A L H <> S+ 0 0 5 -3,-1.2 4,-2.2 -4,-0.3 5,-0.2 0.939 96.2 40.4 -67.9 -55.0 37.5 11.1 44.1 95 111 A R H X S+ 0 0 100 -4,-0.5 4,-2.8 1,-0.2 5,-0.2 0.908 115.7 51.6 -63.6 -42.1 35.6 12.4 47.1 96 112 A P H > S+ 0 0 2 0, 0.0 4,-2.3 0, 0.0 -1,-0.2 0.892 108.1 53.7 -61.7 -35.5 33.1 14.4 44.9 97 113 A T H X S+ 0 0 0 -4,-1.9 4,-2.6 2,-0.2 -2,-0.2 0.975 111.7 43.8 -56.0 -55.5 32.5 11.1 42.9 98 114 A L H X S+ 0 0 32 -4,-2.2 4,-2.0 1,-0.2 -1,-0.2 0.900 115.0 49.6 -58.0 -43.2 31.6 9.3 46.1 99 115 A A H X S+ 0 0 10 -4,-2.8 4,-1.2 2,-0.2 -1,-0.2 0.823 110.3 50.7 -63.0 -36.2 29.5 12.2 47.3 100 116 A A H X>S+ 0 0 0 -4,-2.3 5,-0.7 -5,-0.2 4,-0.7 0.908 108.9 50.6 -68.9 -42.9 27.7 12.3 43.9 101 117 A L H ><5S+ 0 0 6 -4,-2.6 3,-1.0 1,-0.2 -2,-0.2 0.894 106.4 56.0 -62.2 -39.9 27.0 8.6 44.0 102 118 A K H 3<5S+ 0 0 192 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.839 100.8 58.5 -60.3 -36.1 25.5 9.1 47.6 103 119 A T H 3<5S- 0 0 67 -4,-1.2 -1,-0.2 -3,-0.2 -2,-0.2 0.719 108.3-125.6 -63.9 -24.0 23.1 11.7 46.2 104 120 A G T <<5 + 0 0 36 -3,-1.0 -3,-0.1 -4,-0.7 -2,-0.1 0.329 64.2 136.8 89.9 -7.9 21.6 9.2 43.8 105 121 A A < - 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0 0 129 -2,-0.4 3,-2.1 -26,-0.1 4,-0.4 -0.680 51.1 -84.2 -80.1 147.8 24.0 1.4 41.8 128 144 A P T 3 S+ 0 0 130 0, 0.0 -1,-0.1 0, 0.0 -5,-0.0 -0.337 117.4 19.1 -57.9 133.4 24.3 -0.3 38.4 129 145 A G T 3 S+ 0 0 59 2,-0.2 -3,-0.0 -3,-0.0 -23,-0.0 0.256 94.7 105.6 91.0 -10.6 23.7 2.2 35.6 130 146 A Q < + 0 0 5 -3,-2.1 -23,-2.8 -24,-0.1 2,-0.6 0.841 67.8 65.8 -72.0 -37.6 24.4 5.3 37.8 131 147 A I E -f 107 0A 24 -4,-0.4 -23,-0.2 -25,-0.2 -2,-0.2 -0.800 64.3-174.0 -88.5 120.6 27.9 6.0 36.3 132 148 A V E -f 108 0A 7 -25,-3.2 -23,-2.0 -2,-0.6 2,-0.1 -0.983 23.9-127.8-115.5 121.9 27.9 7.0 32.7 133 149 A P E -f 109 0A 10 0, 0.0 -23,-0.2 0, 0.0 -25,-0.0 -0.379 18.2-168.5 -75.1 145.6 31.4 7.4 31.2 134 150 A V + 0 0 1 -25,-2.5 -24,-0.2 -2,-0.1 124,-0.1 0.684 54.4 105.4-101.1 -26.7 32.4 10.5 29.4 135 151 A D S > S- 0 0 31 -26,-0.6 4,-2.7 1,-0.1 5,-0.2 -0.257 77.9-121.7 -61.1 143.3 35.7 9.3 27.7 136 152 A S H > S+ 0 0 22 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.902 109.3 48.9 -55.7 -46.8 35.3 8.7 24.0 137 153 A E H > S+ 0 0 22 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.919 114.7 43.9 -60.3 -48.7 36.4 5.0 24.1 138 154 A H H > S+ 0 0 2 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.861 111.9 53.1 -66.9 -36.8 34.0 4.2 27.0 139 155 A S H X S+ 0 0 4 -4,-2.7 4,-2.0 2,-0.2 -2,-0.2 0.938 111.0 47.8 -59.2 -47.7 31.1 6.1 25.4 140 156 A A H X S+ 0 0 0 -4,-2.5 4,-2.7 -5,-0.2 -2,-0.2 0.920 111.3 49.6 -59.4 -49.6 31.7 4.1 22.2 141 157 A L H X S+ 0 0 0 -4,-2.5 4,-2.3 1,-0.2 -1,-0.2 0.930 109.2 52.5 -55.7 -46.4 31.8 0.8 24.1 142 158 A A H < S+ 0 0 12 -4,-2.5 4,-0.4 1,-0.2 -1,-0.2 0.864 112.6 45.7 -56.0 -41.6 28.5 1.7 25.9 143 159 A Q H >< S+ 0 0 2 -4,-2.0 3,-1.1 1,-0.2 -1,-0.2 0.904 113.0 48.8 -68.4 -43.8 26.9 2.4 22.6 144 160 A C H >< S+ 0 0 0 -4,-2.7 3,-2.0 1,-0.3 -2,-0.2 0.772 98.5 67.5 -71.5 -27.4 28.2 -0.7 20.9 145 161 A L G >< S+ 0 0 38 -4,-2.3 3,-1.5 1,-0.3 -1,-0.3 0.701 82.9 74.9 -64.8 -19.7 27.0 -2.9 23.8 146 162 A R G < S+ 0 0 60 -3,-1.1 -1,-0.3 -4,-0.4 -2,-0.2 0.616 78.2 81.4 -62.3 -10.9 23.5 -2.0 22.7 147 163 A G G < S- 0 0 3 -3,-2.0 2,-0.3 -4,-0.1 -1,-0.2 0.485 107.4 -17.4 -76.4 -5.1 24.3 -4.6 20.0 148 164 A G S < S- 0 0 21 -3,-1.5 495,-0.1 378,-0.1 -1,-0.0 -0.979 79.1 -70.6-174.3-177.0 23.5 -7.6 22.2 149 165 A T > - 0 0 65 -2,-0.3 3,-1.8 1,-0.1 4,-0.5 -0.535 53.8-104.0 -85.8 160.7 23.0 -9.0 25.6 150 166 A P G > S+ 0 0 105 0, 0.0 3,-1.3 0, 0.0 -1,-0.1 0.848 120.6 60.7 -56.0 -35.3 26.0 -9.4 28.0 151 167 A D G 3 S+ 0 0 123 1,-0.3 87,-0.0 86,-0.0 0, 0.0 0.609 101.3 56.3 -65.9 -14.0 26.2 -13.2 27.4 152 168 A E G < S+ 0 0 10 -3,-1.8 86,-2.7 85,-0.1 2,-0.4 0.563 80.2 108.1 -95.6 -12.1 26.8 -12.4 23.7 153 169 A V E < +G 237 0B 5 -3,-1.3 84,-0.2 -4,-0.5 3,-0.1 -0.549 34.7 168.1 -69.1 120.7 29.9 -10.1 24.3 154 170 A A E - 0 0 29 82,-2.6 2,-0.3 -2,-0.4 83,-0.2 0.868 64.2 -2.4 -90.0 -62.0 33.0 -11.9 23.1 155 171 A K E -G 236 0B 83 81,-1.7 81,-2.7 66,-0.0 2,-0.5 -0.972 53.2-141.4-134.1 145.5 35.6 -9.0 23.2 156 172 A L E -Gh 235 221B 0 64,-2.8 66,-3.4 -2,-0.3 2,-0.6 -0.921 23.6-160.5 -99.3 133.1 35.7 -5.3 23.9 157 173 A V E -Gh 234 222B 2 77,-3.4 77,-3.0 -2,-0.5 2,-0.3 -0.905 3.6-164.7-122.9 104.5 38.1 -3.6 21.5 158 174 A L E -Gh 233 223B 0 64,-2.9 66,-2.5 -2,-0.6 2,-0.3 -0.681 14.7-138.4 -82.2 138.0 39.4 -0.2 22.5 159 175 A T E - 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0 0 10 1,-0.1 -13,-0.1 -15,-0.1 -15,-0.1 -0.843 63.1-151.1-102.5 116.5 6.7 -35.9 -2.2 445 81 B P S S+ 0 0 75 0, 0.0 2,-0.4 0, 0.0 -14,-0.2 0.751 83.1 28.0 -58.0 -32.4 4.0 -34.4 0.1 446 82 B Y E +t 431 0D 22 -16,-1.1 -14,-2.8 2,-0.0 2,-0.3 -0.994 68.6 150.6-134.2 130.5 3.7 -31.1 -1.8 447 83 B H E +t 432 0D 86 -2,-0.4 2,-0.2 -16,-0.2 -12,-0.2 -0.982 27.0 74.2-154.9 149.5 4.3 -30.4 -5.5 448 84 B G S > S- 0 0 17 -14,-1.9 3,-2.4 -16,-0.8 4,-0.3 -0.568 89.3 -50.1 125.8 169.1 3.0 -28.0 -8.1 449 85 B S T 3 S+ 0 0 79 1,-0.3 3,-0.1 -2,-0.2 -1,-0.1 0.685 135.0 20.8 -48.2 -39.5 3.2 -24.3 -9.0 450 86 B D T >> S+ 0 0 53 1,-0.1 4,-1.4 -3,-0.1 3,-0.6 -0.120 84.0 126.2-120.0 25.5 2.5 -22.7 -5.5 451 87 B A H <> + 0 0 0 -3,-2.4 4,-2.4 -19,-0.2 -18,-0.2 0.805 67.5 60.6 -61.5 -32.0 3.4 -25.8 -3.4 452 88 B A H 3> S+ 0 0 3 -19,-0.4 4,-2.2 -4,-0.3 -1,-0.2 0.892 103.0 53.4 -62.1 -37.8 5.9 -23.9 -1.3 453 89 B T H <> S+ 0 0 4 -3,-0.6 4,-2.8 2,-0.2 -1,-0.2 0.915 107.7 49.8 -60.4 -44.0 3.1 -21.6 -0.2 454 90 B R H X S+ 0 0 87 -4,-1.4 4,-1.9 2,-0.2 -2,-0.2 0.913 108.0 53.1 -64.2 -41.2 1.0 -24.7 0.9 455 91 B L H X S+ 0 0 0 -4,-2.4 4,-0.8 2,-0.2 -1,-0.2 0.936 111.8 46.2 -57.1 -45.0 3.9 -26.0 2.9 456 92 B V H >< S+ 0 0 2 -4,-2.2 3,-0.8 1,-0.2 -2,-0.2 0.939 112.1 50.6 -62.6 -46.9 4.2 -22.7 4.7 457 93 B E H 3< S+ 0 0 116 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.801 118.3 38.4 -59.7 -31.4 0.4 -22.5 5.3 458 94 B Q H 3< S+ 0 0 127 -4,-1.9 2,-0.6 -5,-0.2 -1,-0.2 0.383 97.8 85.5-106.7 2.0 0.3 -26.0 6.7 459 95 B T S << S- 0 0 19 -3,-0.8 2,-0.3 -4,-0.8 -79,-0.1 -0.922 71.9-133.1-115.4 117.5 3.5 -26.3 8.8 460 96 B E + 0 0 152 -2,-0.6 2,-0.3 -54,-0.1 -2,-0.1 -0.523 46.3 154.7 -65.7 123.1 3.7 -25.1 12.4 461 97 B A - 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0 0 7 -5,-0.8 -1,-0.3 1,-0.1 2,-0.2 -0.300 66.1 -95.9 -66.6 155.6 5.9 -16.7 12.2 486 122 B R E -u 463 0D 36 -24,-2.4 -22,-3.0 -3,-0.1 2,-0.7 -0.540 36.9-140.0 -64.6 134.8 9.1 -14.6 11.9 487 123 B L E -uv 464 511D 0 23,-2.7 25,-3.1 -2,-0.2 2,-1.0 -0.916 10.0-162.1-104.5 109.8 10.1 -14.2 8.3 488 124 B A E -uv 465 512D 0 -24,-2.6 -22,-2.4 -2,-0.7 2,-0.6 -0.808 26.6-155.1 -84.2 100.1 13.8 -14.5 7.7 489 125 B L E +uv 466 513D 9 23,-2.2 25,-2.3 -2,-1.0 26,-0.5 -0.734 41.6 146.6 -96.6 118.0 13.7 -12.9 4.2 490 126 B A + 0 0 26 -24,-2.5 2,-0.2 -2,-0.6 -23,-0.2 0.712 49.2 97.5-106.8 -34.8 16.3 -13.5 1.6 491 127 B N > - 0 0 5 -25,-2.0 4,-0.6 1,-0.2 3,-0.4 -0.339 56.9-161.5 -59.5 113.9 14.1 -13.3 -1.5 492 128 B K H >> S+ 0 0 47 -2,-0.2 4,-2.7 1,-0.2 3,-0.6 0.846 82.8 66.6 -71.4 -33.3 14.5 -9.7 -3.0 493 129 B E H 3>>S+ 0 0 31 1,-0.2 4,-2.2 2,-0.2 5,-2.1 0.840 88.1 69.1 -57.2 -34.6 11.3 -9.9 -5.1 494 130 B S H 34>S+ 0 0 0 -3,-0.4 5,-0.6 3,-0.2 8,-0.3 0.914 116.9 20.3 -49.7 -51.5 9.1 -10.0 -2.0 495 131 B L H 4X S+ 0 0 28 184,-0.3 4,-2.9 1,-0.3 -1,-0.3 0.762 122.8 64.5 -66.4 -22.2 3.3 -2.6 0.4 501 137 B L H <> S+ 0 0 11 -3,-1.9 4,-0.8 2,-0.2 -1,-0.3 0.924 109.0 39.9 -56.8 -46.7 1.5 -5.9 -0.2 502 138 B V H X> S+ 0 0 0 -3,-0.9 3,-0.7 -8,-0.3 4,-0.7 0.941 117.1 48.2 -71.6 -46.3 4.2 -7.5 1.9 503 139 B L H >< S+ 0 0 66 -4,-2.3 3,-0.9 1,-0.2 -2,-0.2 0.878 105.7 59.4 -61.7 -39.1 4.3 -4.7 4.5 504 140 B R H 3< S+ 0 0 140 -4,-2.9 -1,-0.2 1,-0.2 -2,-0.2 0.809 108.4 46.0 -53.4 -34.5 0.5 -4.7 4.8 505 141 B A H << S+ 0 0 28 -4,-0.8 2,-0.3 -3,-0.7 -1,-0.2 0.572 100.7 83.2 -89.9 -14.0 0.7 -8.4 5.9 506 142 B A << - 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m 0 604B 5 73,-0.6 2,-0.3 -2,-0.4 66,-0.2 -0.627 18.4-167.2 -82.2 151.3 28.0 0.1 1.9 540 176 B A E - m 0 605B 3 64,-2.0 66,-3.3 -2,-0.2 69,-0.1 -0.998 27.2-141.5-136.6 138.0 28.7 -1.0 -1.7 541 177 B S - 0 0 52 -2,-0.3 -1,-0.1 64,-0.2 5,-0.1 0.803 41.1-129.2 -62.2 -27.7 31.7 -2.8 -3.1 542 178 B G - 0 0 4 35,-0.1 3,-0.4 64,-0.1 -1,-0.1 0.264 38.2-117.8 92.0 -9.3 31.3 -0.6 -6.2 543 179 B G > - 0 0 19 1,-0.2 3,-1.4 2,-0.1 35,-0.2 -0.015 49.5 -49.1 67.8-176.3 31.4 -3.7 -8.5 544 180 B P T 3 S+ 0 0 66 0, 0.0 -1,-0.2 0, 0.0 34,-0.1 0.700 136.4 54.5 -63.5 -21.5 34.0 -4.4 -11.3 545 181 B F T > S+ 0 0 2 -3,-0.4 3,-2.3 33,-0.2 2,-0.2 0.118 71.2 146.4-104.1 20.8 33.7 -0.9 -12.7 546 182 B R T < S+ 0 0 99 -3,-1.4 3,-0.1 1,-0.3 -3,-0.1 -0.400 77.2 10.8 -56.0 120.7 34.3 1.1 -9.6 547 183 B G T 3 S+ 0 0 71 1,-0.3 -1,-0.3 -2,-0.2 2,-0.2 0.515 95.1 136.0 85.4 5.8 36.1 4.3 -10.6 548 184 B W < - 0 0 82 -3,-2.3 -1,-0.3 1,-0.1 2,-0.1 -0.597 51.3-124.7 -82.6 148.9 35.5 3.8 -14.4 549 185 B S > - 0 0 48 -2,-0.2 4,-1.3 -3,-0.1 5,-0.1 -0.436 23.6-109.4 -86.0 164.9 34.4 6.8 -16.4 550 186 B A H > S+ 0 0 65 1,-0.2 4,-0.9 2,-0.2 3,-0.2 0.895 121.7 53.4 -59.3 -40.9 31.3 6.9 -18.6 551 187 B A H >4 S+ 0 0 73 1,-0.2 3,-0.8 2,-0.2 4,-0.4 0.920 107.5 49.9 -60.1 -46.6 33.5 6.8 -21.7 552 188 B D H 34 S+ 0 0 98 1,-0.2 3,-0.3 2,-0.1 -1,-0.2 0.774 112.5 49.9 -59.7 -29.3 35.4 3.7 -20.4 553 189 B L H >< S+ 0 0 7 -4,-1.3 3,-1.2 -3,-0.2 155,-0.3 0.614 84.2 90.5 -88.9 -14.4 32.0 2.0 -19.8 554 190 B E T << S+ 0 0 107 -4,-0.9 154,-0.4 -3,-0.8 -1,-0.2 0.865 100.4 23.8 -52.3 -44.7 30.4 2.7 -23.2 555 191 B H T 3 S+ 0 0 145 -4,-0.4 -1,-0.3 -3,-0.3 -2,-0.1 0.077 83.1 140.6-118.9 24.4 31.6 -0.5 -24.9 556 192 B V < - 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