==== 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 16-JUL-03 1Q0L . COMPND 2 MOLECULE: 1-DEOXY-D-XYLULOSE 5-PHOSPHATE REDUCTOISOMERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR A.MAC SWEENEY,R.LANGE,A.D'ARCY,A.DOUANGAMATH,J.-P.SURIVET,C. . 398 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17599.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 280 70.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 37 9.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 14 3.5 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 . 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 . 20 5.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 42 10.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 150 37.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 1.5 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 0 2 1 4 0 2 2 1 1 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 1 5 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 . 1 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 ANTIPARALLEL BRIDGES PER LADDER . 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 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 M 0 0 119 0, 0.0 2,-0.3 0, 0.0 27,-0.2 0.000 360.0 360.0 360.0 152.1 29.7 6.5 48.3 2 2 A K E -a 28 0A 72 25,-2.1 27,-1.7 93,-0.0 2,-0.4 -0.911 360.0-146.4-118.2 145.5 30.0 7.8 44.7 3 3 A Q E -a 29 0A 45 -2,-0.3 92,-2.9 90,-0.3 93,-1.9 -0.941 15.0-152.6-119.9 131.5 32.8 7.1 42.3 4 4 A L E -ab 30 96A 0 25,-2.5 27,-2.4 -2,-0.4 28,-1.4 -0.783 20.7-161.0-109.7 140.6 34.2 9.5 39.7 5 5 A T E -ab 32 97A 0 91,-1.9 93,-1.9 -2,-0.3 2,-0.6 -0.985 26.5-155.3 -97.9 126.4 35.9 9.5 36.4 6 6 A I E > -ab 33 98A 0 26,-2.2 28,-1.8 -2,-0.5 3,-0.5 -0.941 2.2-155.8-103.7 117.2 37.4 13.0 36.0 7 7 A L E 3 S+ab 34 99A 0 91,-2.9 93,-1.4 -2,-0.6 28,-0.2 -0.837 84.0 13.5 -89.0 127.9 37.9 14.2 32.5 8 8 A G T > S+ 0 0 9 26,-2.2 3,-1.1 -2,-0.5 6,-0.6 0.926 77.9 169.0 69.3 51.3 40.7 16.8 32.3 9 9 A S T < + 0 0 0 25,-2.0 9,-0.2 -3,-0.5 26,-0.1 0.757 67.9 56.1 -67.8 -26.7 41.9 16.1 35.9 10 10 A T T 3 S+ 0 0 22 24,-0.2 -1,-0.2 4,-0.1 25,-0.1 0.496 91.9 88.5 -88.5 -5.0 45.1 18.2 35.6 11 11 A G S <> S- 0 0 36 -3,-1.1 4,-1.8 89,-0.2 5,-0.2 -0.032 98.4 -87.0 -79.8-170.4 43.3 21.4 34.6 12 12 A S H > S+ 0 0 40 2,-0.2 4,-1.5 1,-0.2 5,-0.1 0.861 127.8 40.2 -70.3 -38.6 41.9 24.1 36.9 13 13 A I H > S+ 0 0 36 87,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.851 113.4 53.9 -79.0 -38.3 38.5 22.5 37.4 14 14 A G H > S+ 0 0 0 -6,-0.6 4,-2.0 86,-0.3 -2,-0.2 0.854 110.9 47.4 -61.2 -36.8 39.9 19.0 37.6 15 15 A C H X S+ 0 0 31 -4,-1.8 4,-1.6 2,-0.2 -2,-0.2 0.887 112.0 49.3 -72.3 -39.9 42.2 20.2 40.4 16 16 A S H X S+ 0 0 20 -4,-1.5 4,-1.3 2,-0.2 -2,-0.2 0.859 111.2 51.3 -63.4 -35.8 39.3 21.9 42.1 17 17 A T H X S+ 0 0 0 -4,-2.4 4,-1.7 1,-0.2 3,-0.4 0.922 107.9 50.5 -68.3 -44.9 37.3 18.7 41.8 18 18 A L H X S+ 0 0 0 -4,-2.0 4,-2.4 1,-0.2 -1,-0.2 0.813 105.7 57.3 -65.9 -29.1 40.0 16.6 43.3 19 19 A D H X S+ 0 0 27 -4,-1.6 4,-1.5 2,-0.2 -1,-0.2 0.853 103.4 52.9 -69.7 -33.4 40.2 19.0 46.2 20 20 A V H < S+ 0 0 0 -4,-1.3 4,-0.4 -3,-0.4 -2,-0.2 0.896 112.3 44.9 -64.8 -40.2 36.5 18.4 46.9 21 21 A V H >< S+ 0 0 6 -4,-1.7 3,-1.0 1,-0.2 7,-0.3 0.893 109.5 56.9 -64.3 -40.6 37.3 14.6 47.0 22 22 A R H 3< S+ 0 0 88 -4,-2.4 -2,-0.2 1,-0.3 -1,-0.2 0.803 109.6 44.6 -61.5 -32.8 40.3 15.5 49.1 23 23 A H T 3< S+ 0 0 82 -4,-1.5 -1,-0.3 1,-0.2 -2,-0.2 0.486 120.6 41.7 -90.1 -8.0 38.0 17.2 51.7 24 24 A N X> + 0 0 15 -3,-1.0 4,-1.8 -4,-0.4 3,-1.2 -0.389 59.9 156.4-139.1 61.1 35.4 14.3 51.5 25 25 A P T 34 S+ 0 0 94 0, 0.0 -1,-0.1 0, 0.0 -3,-0.1 0.775 78.3 52.5 -54.4 -33.1 37.2 10.9 51.5 26 26 A E T 34 S+ 0 0 169 1,-0.2 3,-0.1 -25,-0.0 -5,-0.0 0.630 115.2 40.1 -83.1 -15.9 34.2 9.0 52.8 27 27 A H T <4 S+ 0 0 96 -3,-1.2 -25,-2.1 1,-0.2 2,-0.4 0.679 117.1 41.4 -99.8 -24.9 31.8 10.5 50.2 28 28 A F E < +a 2 0A 7 -4,-1.8 2,-0.4 -7,-0.3 -25,-0.2 -0.978 50.5 179.6-139.2 140.2 33.9 10.3 47.1 29 29 A R E -a 3 0A 158 -27,-1.7 -25,-2.5 -2,-0.4 2,-0.6 -1.000 24.7-134.2-137.1 133.2 36.4 8.0 45.4 30 30 A V E +a 4 0A 9 -2,-0.4 22,-0.3 19,-0.2 -25,-0.2 -0.813 23.2 174.8 -92.8 117.4 38.2 8.6 42.1 31 31 A V E + 0 0 3 -27,-2.4 22,-1.8 -2,-0.6 21,-1.1 0.835 67.9 12.3 -85.5 -39.9 38.2 5.5 39.8 32 32 A A E -ac 5 53A 0 -28,-1.4 -26,-2.2 20,-0.2 2,-0.4 -1.000 56.8-157.9-145.8 142.2 39.8 7.1 36.7 33 33 A L E -ac 6 54A 0 20,-1.6 22,-2.7 -2,-0.3 2,-0.4 -0.943 12.6-171.1-115.9 141.2 41.8 10.2 35.8 34 34 A V E +ac 7 55A 5 -28,-1.8 -26,-2.2 -2,-0.4 -25,-2.0 -0.995 19.0 139.3-137.3 128.6 42.0 11.5 32.2 35 35 A A E - c 0 56A 10 20,-2.4 22,-1.9 -2,-0.4 50,-0.1 -0.713 40.9-121.3-147.4-164.5 44.2 14.3 30.9 36 36 A G S S- 0 0 26 20,-0.3 22,-1.3 -2,-0.2 25,-0.2 0.749 77.6 -24.4-113.1 -80.2 46.4 15.3 28.0 37 37 A K S S+ 0 0 166 20,-0.1 2,-1.4 19,-0.1 19,-0.1 0.477 90.8 110.0-124.8 -10.9 50.1 16.2 28.4 38 38 A N > + 0 0 76 1,-0.2 4,-1.7 2,-0.1 5,-0.1 -0.553 34.7 167.1 -80.6 91.5 50.7 17.4 32.0 39 39 A V H > + 0 0 21 -2,-1.4 4,-2.1 1,-0.2 5,-0.2 0.891 69.7 53.8 -77.2 -41.9 52.7 14.5 33.4 40 40 A T H > S+ 0 0 113 1,-0.2 4,-1.3 2,-0.2 -1,-0.2 0.872 112.6 45.4 -60.1 -39.6 53.9 16.1 36.6 41 41 A R H > S+ 0 0 103 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.888 112.0 50.3 -71.7 -41.0 50.3 17.0 37.6 42 42 A M H X S+ 0 0 0 -4,-1.7 4,-1.7 1,-0.2 -2,-0.2 0.833 109.6 51.0 -68.5 -32.4 48.9 13.6 36.7 43 43 A V H X S+ 0 0 9 -4,-2.1 4,-1.8 2,-0.2 -1,-0.2 0.815 108.0 53.1 -77.6 -29.4 51.6 11.8 38.7 44 44 A E H X S+ 0 0 72 -4,-1.3 4,-1.5 -5,-0.2 -2,-0.2 0.936 113.9 43.2 -60.1 -47.8 50.8 13.9 41.7 45 45 A Q H X S+ 0 0 1 -4,-2.0 4,-1.9 2,-0.2 -2,-0.2 0.740 113.8 49.5 -74.4 -27.4 47.1 13.0 41.4 46 46 A C H X S+ 0 0 0 -4,-1.7 4,-1.3 2,-0.2 -1,-0.2 0.884 112.8 46.1 -80.3 -41.9 47.7 9.3 40.7 47 47 A L H < S+ 0 0 76 -4,-1.8 -2,-0.2 -5,-0.2 -1,-0.2 0.830 118.0 45.5 -66.1 -32.8 50.1 8.8 43.7 48 48 A E H < S+ 0 0 84 -4,-1.5 -2,-0.2 -5,-0.2 -3,-0.2 0.956 126.1 23.4 -76.9 -52.5 47.7 10.8 45.9 49 49 A F H < S- 0 0 40 -4,-1.9 -19,-0.2 -5,-0.1 -2,-0.2 0.462 88.9-140.7 -98.7 -3.8 44.3 9.3 45.1 50 50 A S < - 0 0 53 -4,-1.3 -4,-0.1 -5,-0.1 -3,-0.1 0.911 26.8-166.6 37.6 66.3 45.4 5.9 43.8 51 51 A P - 0 0 0 0, 0.0 -20,-0.2 0, 0.0 -19,-0.2 -0.406 28.2-122.0 -72.2 156.7 42.9 5.7 40.9 52 52 A R S S+ 0 0 69 -21,-1.1 25,-2.0 -22,-0.3 2,-0.3 0.916 91.9 16.2 -60.9 -47.2 42.3 2.4 39.2 53 53 A Y E -cd 32 77A 66 -22,-1.8 -20,-1.6 23,-0.2 2,-0.3 -0.886 58.8-164.0-130.6 159.8 43.2 3.9 35.8 54 54 A A E -cd 33 78A 0 23,-1.9 25,-2.7 -2,-0.3 2,-0.4 -0.975 9.3-165.4-144.6 127.2 44.9 7.0 34.3 55 55 A V E -cd 34 79A 0 -22,-2.7 -20,-2.4 -2,-0.3 2,-0.4 -0.949 6.7-169.9-115.8 133.1 44.7 8.1 30.7 56 56 A M E -cd 35 80A 0 23,-1.5 25,-1.3 -2,-0.4 -20,-0.3 -0.987 19.7-143.8-111.7 135.1 46.9 10.7 29.0 57 57 A D S S+ 0 0 97 -22,-1.9 2,-0.4 -2,-0.4 -21,-0.2 0.907 86.7 63.7 -64.7 -41.5 45.6 11.7 25.5 58 58 A D S >> S- 0 0 58 -22,-1.3 4,-1.2 1,-0.1 3,-0.6 -0.705 81.0-140.3 -91.1 132.9 49.1 12.0 24.1 59 59 A E H 3> S+ 0 0 125 -2,-0.4 4,-1.5 1,-0.2 3,-0.3 0.862 96.9 55.4 -64.5 -42.3 51.0 8.7 23.9 60 60 A A H 3> S+ 0 0 58 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.798 106.6 52.8 -63.1 -29.8 54.5 9.9 24.9 61 61 A S H <> S+ 0 0 11 -3,-0.6 4,-1.8 2,-0.2 -1,-0.2 0.819 104.8 54.8 -74.8 -34.6 53.1 11.4 28.1 62 62 A A H X S+ 0 0 8 -4,-1.2 4,-2.2 -3,-0.3 -2,-0.2 0.829 106.4 53.0 -64.2 -35.2 51.5 8.1 29.1 63 63 A K H X S+ 0 0 136 -4,-1.5 4,-1.6 2,-0.2 -2,-0.2 0.922 109.5 46.6 -66.5 -46.5 54.9 6.5 28.8 64 64 A L H X S+ 0 0 106 -4,-1.5 4,-1.6 1,-0.2 -2,-0.2 0.883 113.0 51.5 -62.2 -38.4 56.5 9.0 31.1 65 65 A L H X S+ 0 0 0 -4,-1.8 4,-2.5 1,-0.2 -2,-0.2 0.922 107.7 49.9 -65.5 -46.7 53.7 8.6 33.5 66 66 A K H X S+ 0 0 63 -4,-2.2 4,-2.5 1,-0.2 -1,-0.2 0.826 106.6 57.5 -63.9 -32.9 53.9 4.8 33.6 67 67 A T H X S+ 0 0 87 -4,-1.6 4,-1.2 2,-0.2 -1,-0.2 0.943 111.7 39.8 -63.5 -49.3 57.6 4.9 34.3 68 68 A M H X S+ 0 0 94 -4,-1.6 4,-1.6 2,-0.2 -2,-0.2 0.920 117.3 49.0 -67.6 -44.6 57.2 7.0 37.4 69 69 A L H X>S+ 0 0 0 -4,-2.5 5,-2.2 1,-0.2 4,-1.6 0.913 111.6 48.3 -62.0 -44.2 54.2 5.1 38.7 70 70 A Q H <5S+ 0 0 128 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.760 108.4 56.3 -72.5 -21.6 55.7 1.7 38.2 71 71 A Q H <5S+ 0 0 165 -4,-1.2 -1,-0.2 -5,-0.2 -2,-0.2 0.882 110.3 43.1 -71.5 -40.6 58.9 2.9 40.0 72 72 A Q H <5S- 0 0 149 -4,-1.6 -2,-0.2 -3,-0.1 -1,-0.2 0.768 117.1-111.7 -77.5 -26.2 56.9 3.9 43.2 73 73 A G T <5 + 0 0 64 -4,-1.6 -3,-0.2 1,-0.2 -4,-0.1 0.688 54.0 169.3 99.3 26.2 54.8 0.8 43.1 74 74 A S < - 0 0 23 -5,-2.2 -1,-0.2 -6,-0.2 -27,-0.1 -0.393 36.6-142.6 -71.5 146.6 51.4 2.4 42.3 75 75 A R + 0 0 150 -2,-0.1 2,-0.4 2,-0.1 -1,-0.1 0.513 65.5 117.3 -84.6 -7.0 48.5 0.2 41.3 76 76 A T - 0 0 0 -30,-0.1 2,-0.4 -7,-0.1 -23,-0.2 -0.500 56.2-148.1 -68.7 120.2 47.3 2.7 38.7 77 77 A E E -d 53 0A 116 -25,-2.0 -23,-1.9 -2,-0.4 2,-0.4 -0.734 12.4-138.0 -89.2 136.1 47.4 1.3 35.2 78 78 A V E +d 54 0A 26 -2,-0.4 2,-0.2 -25,-0.2 -23,-0.2 -0.813 25.9 169.6-101.4 132.3 48.1 3.8 32.4 79 79 A L E -d 55 0A 74 -25,-2.7 -23,-1.5 -2,-0.4 2,-0.3 -0.711 14.6-149.8-123.0-179.6 46.3 4.0 29.1 80 80 A S E +d 56 0A 50 -2,-0.2 4,-0.3 -25,-0.2 -23,-0.2 -0.988 39.4 41.1-152.8 157.1 46.3 6.5 26.3 81 81 A G S > S- 0 0 22 -25,-1.3 4,-1.4 -2,-0.3 3,-0.2 -0.016 83.7 -68.7 93.1 169.0 44.2 8.0 23.5 82 82 A Q H > S+ 0 0 93 1,-0.2 4,-2.0 2,-0.2 5,-0.1 0.865 125.2 53.1 -65.9 -43.8 40.6 9.2 22.9 83 83 A Q H > S+ 0 0 124 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.844 105.6 56.2 -64.7 -33.5 38.9 5.8 23.0 84 84 A A H > S+ 0 0 12 -4,-0.3 4,-2.0 2,-0.2 -1,-0.2 0.920 106.3 50.6 -61.8 -44.1 40.5 5.1 26.4 85 85 A A H X S+ 0 0 6 -4,-1.4 4,-1.6 1,-0.2 -2,-0.2 0.905 109.8 50.3 -56.9 -44.0 39.0 8.3 27.7 86 86 A C H < S+ 0 0 10 -4,-2.0 4,-0.3 1,-0.2 -1,-0.2 0.860 110.7 49.1 -64.5 -36.9 35.6 7.2 26.4 87 87 A D H >< S+ 0 0 85 -4,-2.1 3,-0.7 1,-0.2 -1,-0.2 0.831 108.0 53.7 -71.6 -33.8 35.9 3.8 28.1 88 88 A M H >< S+ 0 0 8 -4,-2.0 3,-0.8 1,-0.2 -2,-0.2 0.830 106.0 53.6 -69.5 -32.3 36.9 5.4 31.4 89 89 A A T 3< S+ 0 0 0 -4,-1.6 -1,-0.2 1,-0.2 -2,-0.2 0.561 110.5 48.1 -77.7 -9.7 33.8 7.5 31.3 90 90 A A T < S+ 0 0 41 -3,-0.7 -1,-0.2 -4,-0.3 -2,-0.2 0.146 76.1 137.3-116.9 16.2 31.6 4.4 30.8 91 91 A L X - 0 0 33 -3,-0.8 3,-0.8 1,-0.1 -3,-0.1 -0.356 58.8-126.4 -67.5 145.9 33.0 2.1 33.5 92 92 A E T 3 S+ 0 0 166 1,-0.2 -1,-0.1 -2,-0.0 0, 0.0 0.863 107.0 51.7 -64.2 -37.6 30.3 0.2 35.5 93 93 A D T 3 S+ 0 0 75 -91,-0.0 -90,-0.3 -89,-0.0 -1,-0.2 0.660 86.8 103.5 -75.0 -18.6 31.5 1.3 38.9 94 94 A V < + 0 0 2 -3,-0.8 -90,-0.2 1,-0.2 3,-0.1 -0.493 39.9 174.1 -69.7 131.6 31.5 5.0 37.9 95 95 A D + 0 0 69 -92,-2.9 24,-1.8 1,-0.3 2,-0.3 0.732 68.0 27.2-101.0 -38.3 28.6 7.0 39.3 96 96 A Q E -be 4 119A 1 -93,-1.9 -91,-1.9 22,-0.2 2,-0.5 -0.983 59.7-157.3-132.4 140.8 29.6 10.5 38.1 97 97 A V E -be 5 120A 0 22,-2.6 24,-1.7 -2,-0.3 2,-1.0 -0.942 12.0-149.1-120.5 108.8 31.8 11.9 35.3 98 98 A M E -be 6 121A 0 -93,-1.9 -91,-2.9 -2,-0.5 2,-1.3 -0.673 12.3-156.8 -72.6 100.7 33.3 15.4 35.7 99 99 A A E +be 7 122A 0 22,-1.6 25,-2.1 -2,-1.0 24,-1.9 -0.685 39.6 140.3 -81.7 90.2 33.4 16.6 32.1 100 100 A A + 0 0 18 -93,-1.4 -86,-0.3 -2,-1.3 2,-0.2 -0.092 17.2 126.7-131.1 33.3 36.2 19.2 32.4 101 101 A I - 0 0 38 5,-0.1 2,-0.4 2,-0.1 5,-0.1 -0.636 62.3-115.1 -79.7 151.5 38.3 18.9 29.3 102 102 A V S S- 0 0 90 -2,-0.2 3,-0.5 22,-0.1 4,-0.1 -0.737 70.6 -2.3 -92.5 138.5 38.7 22.2 27.5 103 103 A G S > S- 0 0 0 -2,-0.4 3,-1.1 1,-0.2 24,-0.3 -0.190 107.9 -48.4 79.9-172.0 37.2 22.8 24.0 104 104 A A G > S+ 0 0 6 1,-0.3 3,-1.6 22,-0.2 4,-0.4 0.529 117.2 85.5 -78.5 -6.8 35.3 20.4 21.7 105 105 A A G 3 S+ 0 0 62 -3,-0.5 3,-0.3 1,-0.3 -1,-0.3 0.783 85.0 58.9 -63.1 -27.1 38.0 17.7 22.3 106 106 A G G <> S+ 0 0 0 -3,-1.1 4,-1.6 1,-0.2 -1,-0.3 0.473 83.0 89.1 -79.6 -3.1 36.0 16.7 25.4 107 107 A L H <> S+ 0 0 1 -3,-1.6 4,-2.1 2,-0.2 5,-0.2 0.955 85.2 45.0 -59.0 -58.2 32.8 16.1 23.3 108 108 A L H > S+ 0 0 47 -4,-0.4 4,-1.3 -3,-0.3 -1,-0.2 0.892 115.0 45.8 -63.0 -47.3 33.3 12.4 22.5 109 109 A P H > S+ 0 0 3 0, 0.0 4,-1.5 0, 0.0 -1,-0.2 0.842 114.3 50.8 -60.9 -34.1 34.4 11.2 26.0 110 110 A T H X S+ 0 0 1 -4,-1.6 4,-1.5 1,-0.2 -2,-0.2 0.816 108.5 51.4 -71.8 -31.4 31.5 13.2 27.5 111 111 A L H X S+ 0 0 9 -4,-2.1 4,-1.8 2,-0.2 -1,-0.2 0.723 105.4 56.6 -76.9 -23.6 29.1 11.6 25.0 112 112 A A H X S+ 0 0 4 -4,-1.3 4,-1.3 2,-0.2 -2,-0.2 0.883 106.7 48.9 -72.1 -41.2 30.4 8.2 26.1 113 113 A A H <>S+ 0 0 0 -4,-1.5 5,-2.3 1,-0.2 -2,-0.2 0.889 111.6 50.6 -60.5 -41.4 29.5 9.1 29.7 114 114 A I H ><5S+ 0 0 0 -4,-1.5 3,-1.0 1,-0.2 30,-0.3 0.855 108.0 51.1 -67.9 -37.0 26.0 10.2 28.5 115 115 A R H 3<5S+ 0 0 170 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.771 107.3 54.6 -71.9 -25.9 25.4 6.9 26.5 116 116 A A T 3<5S- 0 0 45 -4,-1.3 -1,-0.2 -27,-0.1 -2,-0.2 0.337 116.9-116.1 -87.5 4.6 26.4 4.9 29.7 117 117 A G T < 5 + 0 0 25 -3,-1.0 -3,-0.2 1,-0.2 28,-0.1 0.730 58.7 159.4 71.5 25.0 23.7 6.8 31.6 118 118 A K < - 0 0 17 -5,-2.3 2,-0.7 -29,-0.1 27,-0.4 -0.342 51.6-101.4 -77.2 157.4 26.2 8.5 34.0 119 119 A T E -e 96 0A 32 -24,-1.8 -22,-2.6 25,-0.2 2,-0.7 -0.739 41.8-145.7 -74.7 115.5 25.6 11.6 36.1 120 120 A I E -ef 97 146A 0 25,-2.1 27,-2.8 -2,-0.7 2,-1.4 -0.794 13.2-160.4 -94.8 111.2 27.4 14.3 34.1 121 121 A L E -ef 98 147A 0 -24,-1.7 -22,-1.6 -2,-0.7 2,-0.7 -0.743 29.0-151.4 -83.8 91.9 29.0 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25.2 142 142 A S T <5S- 0 0 29 -4,-1.4 -27,-0.1 -5,-0.2 -26,-0.1 -0.248 98.4-103.7 -90.6-178.0 19.8 7.8 27.9 143 143 A K T 5S+ 0 0 207 -29,-0.2 2,-0.2 -28,-0.1 -3,-0.1 0.028 76.4 133.7 -92.1 27.2 19.3 7.5 31.7 144 144 A A < - 0 0 14 -5,-0.8 2,-0.5 -30,-0.3 -25,-0.2 -0.540 44.0-154.7 -97.2 143.5 21.6 10.5 32.3 145 145 A Q - 0 0 46 -27,-0.4 -25,-2.1 -2,-0.2 2,-0.5 -0.957 11.7-144.0-115.6 127.4 21.3 13.6 34.5 146 146 A L E -f 120 0A 5 -2,-0.5 -25,-0.2 -27,-0.2 22,-0.1 -0.787 14.8-176.1 -89.9 126.2 23.1 16.8 33.7 147 147 A L E -f 121 0A 3 -27,-2.8 -25,-1.3 -2,-0.5 7,-0.1 -0.945 26.1-131.5-119.8 105.9 24.4 18.8 36.7 148 148 A P E -f 122 0A 3 0, 0.0 -25,-0.2 0, 0.0 135,-0.1 -0.357 24.5-179.2 -62.6 133.0 25.9 22.1 35.5 149 149 A V + 0 0 0 -27,-3.0 -26,-0.2 -50,-0.1 5,-0.1 0.740 47.4 108.4-101.0 -37.4 29.3 22.9 37.1 150 150 A D S > S- 0 0 6 -28,-1.0 4,-2.6 1,-0.1 5,-0.4 -0.202 81.1-118.4 -44.1 129.2 30.1 26.3 35.4 151 151 A S H > S+ 0 0 9 1,-0.2 4,-1.7 2,-0.2 -1,-0.1 0.817 110.8 43.0 -37.6 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168.1 12.6 25.0 41.0 162 162 A Q H 3> S+ 0 0 129 1,-0.3 4,-2.3 2,-0.2 5,-0.2 0.801 116.6 60.4 -65.8 -37.6 12.7 21.2 41.2 163 163 A P H 34 S+ 0 0 68 0, 0.0 4,-0.3 0, 0.0 -1,-0.3 0.845 112.4 42.2 -56.1 -34.5 10.6 20.4 38.1 164 164 A I H X4 S+ 0 0 2 -3,-0.9 3,-0.9 2,-0.2 -2,-0.2 0.901 113.0 52.4 -73.5 -46.2 13.2 22.2 36.1 165 165 A Q H 3< S+ 0 0 25 -4,-2.0 3,-0.4 1,-0.2 -3,-0.2 0.812 113.8 44.0 -58.8 -32.5 16.1 20.7 38.0 166 166 A H T 3< S+ 0 0 83 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.458 123.4 34.9 -97.0 -6.3 14.7 17.2 37.4 167 167 A N S X> S- 0 0 94 -3,-0.9 4,-1.5 -4,-0.3 3,-1.2 -0.478 83.5-173.1-141.8 66.6 13.9 17.8 33.7 168 168 A L T 34 S+ 0 0 8 -3,-0.4 71,-0.2 1,-0.2 -22,-0.1 -0.483 70.0 4.4 -75.3 120.3 16.8 20.1 32.6 169 169 A G T 34 S+ 0 0 4 -2,-0.3 -1,-0.2 2,-0.1 70,-0.2 0.256 126.5 63.0 93.3 -10.9 16.4 21.4 29.1 170 170 A Y T <4 S+ 0 0 79 -3,-1.2 -2,-0.2 -6,-0.2 2,-0.2 0.515 80.2 92.4-120.5 -12.6 13.0 19.8 28.5 171 171 A A S < S- 0 0 17 -4,-1.5 2,-0.4 -7,-0.2 -2,-0.1 -0.483 78.8-111.1 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115.8 49.3 -71.5 -38.8 27.6 28.8 12.5 332 332 A T H X S+ 0 0 1 -4,-1.6 4,-2.5 -8,-0.4 5,-0.2 0.908 112.9 46.4 -65.3 -46.2 27.8 28.1 16.3 333 333 A T H X S+ 0 0 0 -4,-2.5 4,-1.8 1,-0.2 -2,-0.2 0.886 114.8 48.4 -62.1 -40.5 30.0 25.1 15.8 334 334 A A H X S+ 0 0 1 -4,-2.0 4,-2.5 -5,-0.2 -2,-0.2 0.889 111.0 50.8 -68.0 -39.0 32.1 27.1 13.4 335 335 A L H X S+ 0 0 2 -4,-2.5 4,-2.9 2,-0.2 5,-0.2 0.965 110.7 46.7 -65.2 -53.6 32.4 30.0 15.8 336 336 A N H X S+ 0 0 0 -4,-2.5 4,-1.8 2,-0.2 -1,-0.2 0.879 113.6 49.4 -54.9 -42.1 33.4 27.9 18.8 337 337 A A H X S+ 0 0 0 -4,-1.8 4,-1.7 -5,-0.2 -1,-0.2 0.934 112.9 47.2 -63.4 -47.0 36.0 26.1 16.6 338 338 A A H X S+ 0 0 0 -4,-2.5 4,-2.4 1,-0.2 -2,-0.2 0.880 109.9 52.7 -59.9 -41.7 37.3 29.4 15.3 339 339 A N H X S+ 0 0 0 -4,-2.9 4,-2.2 1,-0.2 5,-0.2 0.849 106.1 54.4 -67.9 -33.1 37.5 30.9 18.8 340 340 A E H X S+ 0 0 29 -4,-1.8 4,-1.6 -5,-0.2 -1,-0.2 0.923 112.2 44.1 -62.0 -43.7 39.5 27.9 20.0 341 341 A I H X S+ 0 0 23 -4,-1.7 4,-2.0 2,-0.2 -2,-0.2 0.883 115.5 45.7 -70.4 -41.3 42.1 28.5 17.3 342 342 A T H X S+ 0 0 0 -4,-2.4 4,-2.5 2,-0.2 -1,-0.2 0.854 111.2 51.5 -75.2 -36.7 42.3 32.3 17.7 343 343 A V H X S+ 0 0 0 -4,-2.2 4,-2.2 2,-0.2 -1,-0.2 0.898 111.8 48.7 -64.5 -40.3 42.6 32.2 21.5 344 344 A A H X S+ 0 0 55 -4,-1.6 4,-1.6 -5,-0.2 -2,-0.2 0.913 111.7 49.8 -61.5 -42.4 45.4 29.6 21.0 345 345 A A H <>S+ 0 0 3 -4,-2.0 5,-2.6 1,-0.2 6,-0.7 0.891 110.1 50.5 -64.8 -39.0 47.0 32.0 18.4 346 346 A F H ><5S+ 0 0 3 -4,-2.5 3,-1.4 1,-0.2 -1,-0.2 0.912 110.6 48.1 -65.4 -43.1 46.7 34.9 20.8 347 347 A L H 3<5S+ 0 0 43 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.786 108.9 54.0 -70.0 -27.7 48.3 33.0 23.7 348 348 A A T 3<5S- 0 0 63 -4,-1.6 -1,-0.3 -5,-0.2 -2,-0.2 0.310 117.2-116.4 -87.5 7.1 51.1 31.9 21.4 349 349 A Q T < 5S+ 0 0 156 -3,-1.4 -3,-0.2 2,-0.2 -2,-0.1 0.881 81.9 121.3 58.3 44.5 51.7 35.6 20.5 350 350 A Q S > - 0 0 157 -2,-0.3 3,-0.6 44,-0.1 4,-0.5 -0.313 37.6-103.9 -82.0 169.1 46.7 40.6 19.1 353 353 A F T >4 S+ 0 0 8 -152,-0.5 3,-1.1 -154,-0.4 4,-0.4 0.900 121.9 46.7 -60.8 -45.6 43.9 40.4 21.6 354 354 A T T 3> S+ 0 0 57 1,-0.3 4,-1.1 2,-0.2 3,-0.3 0.608 97.1 73.6 -76.4 -13.8 41.4 42.3 19.4 355 355 A D H <> S+ 0 0 27 -3,-0.6 4,-2.5 1,-0.2 5,-0.3 0.705 82.8 72.2 -67.9 -22.5 42.4 40.1 16.5 356 356 A I H S+ 0 0 11 -4,-0.4 4,-1.6 -3,-0.3 -1,-0.2 0.805 115.8 52.2 -77.1 -30.4 37.1 38.9 17.4 358 358 A A H X S+ 0 0 52 -4,-1.1 4,-1.8 2,-0.2 -2,-0.2 0.956 113.9 41.4 -68.0 -53.0 38.1 40.1 13.9 359 359 A L H X S+ 0 0 8 -4,-2.5 4,-2.6 2,-0.2 -2,-0.2 0.796 110.9 58.0 -65.6 -30.1 39.3 36.6 12.8 360 360 A N H X S+ 0 0 0 -4,-1.5 4,-1.7 -5,-0.3 -1,-0.2 0.940 108.8 45.5 -65.3 -45.3 36.3 34.9 14.5 361 361 A L H X S+ 0 0 109 -4,-1.6 4,-1.4 2,-0.2 -2,-0.2 0.870 112.0 53.7 -60.4 -40.1 33.9 37.1 12.4 362 362 A S H X S+ 0 0 22 -4,-1.8 4,-1.9 1,-0.2 3,-0.5 0.948 105.9 50.4 -63.2 -50.4 36.0 36.3 9.3 363 363 A V H X S+ 0 0 0 -4,-2.6 4,-1.2 1,-0.2 -1,-0.2 0.898 106.6 56.8 -54.8 -43.7 35.9 32.5 9.7 364 364 A L H < S+ 0 0 29 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.862 108.1 46.2 -58.3 -41.0 32.1 32.7 10.1 365 365 A E H < S+ 0 0 159 -4,-1.4 -1,-0.2 -3,-0.5 -2,-0.2 0.896 111.5 50.4 -68.3 -41.8 31.6 34.4 6.7 366 366 A K H < S+ 0 0 107 -4,-1.9 2,-0.5 19,-0.1 -1,-0.2 0.621 94.0 92.6 -75.6 -14.7 34.0 32.1 4.8 367 367 A M < + 0 0 21 -4,-1.2 2,-0.3 -5,-0.2 18,-0.0 -0.707 46.0 169.2 -79.6 125.4 32.1 29.1 6.3 368 368 A D + 0 0 164 -2,-0.5 2,-0.3 -38,-0.0 -3,-0.1 -0.855 23.3 136.2-135.2 104.5 29.3 27.7 4.1 369 369 A M - 0 0 68 -2,-0.3 -39,-0.1 3,-0.0 -38,-0.1 -0.994 50.7-100.1-152.5 150.7 28.1 24.4 5.4 370 370 A R - 0 0 173 -2,-0.3 3,-0.1 1,-0.1 11,-0.1 -0.255 48.7 -90.0 -73.1 155.8 24.9 22.4 6.1 371 371 A E - 0 0 70 1,-0.1 -1,-0.1 2,-0.0 7,-0.1 -0.485 51.4-106.3 -64.3 126.9 23.3 22.1 9.5 372 372 A P - 0 0 14 0, 0.0 -1,-0.1 0, 0.0 -238,-0.1 -0.320 31.2-174.2 -57.6 132.8 24.7 18.9 11.3 373 373 A Q S S+ 0 0 127 1,-0.1 2,-0.3 -3,-0.1 -2,-0.0 0.487 72.0 15.4-102.9 -11.6 22.2 16.0 11.4 374 374 A C S > S- 0 0 53 1,-0.0 4,-1.4 0, 0.0 3,-0.3 -0.936 88.0 -92.5-151.4 174.3 24.5 13.9 13.6 375 375 A V H > S+ 0 0 44 -2,-0.3 4,-1.8 1,-0.2 5,-0.2 0.846 121.1 58.6 -61.3 -35.9 27.6 14.0 15.8 376 376 A D H > S+ 0 0 117 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.915 105.0 49.9 -60.6 -42.9 29.9 13.2 12.8 377 377 A D H > S+ 0 0 66 -3,-0.3 4,-2.1 1,-0.2 -1,-0.2 0.844 106.1 56.8 -64.2 -34.1 28.6 16.2 11.0 378 378 A V H X S+ 0 0 0 -4,-1.4 4,-1.9 1,-0.2 -1,-0.2 0.895 110.0 44.6 -62.0 -41.7 29.3 18.4 14.1 379 379 A L H X S+ 0 0 52 -4,-1.8 4,-2.1 2,-0.2 -1,-0.2 0.754 109.9 55.4 -74.3 -27.2 32.9 17.2 14.0 380 380 A S H X S+ 0 0 65 -4,-1.6 4,-1.7 2,-0.2 -2,-0.2 0.890 111.0 44.1 -71.5 -39.8 33.2 17.8 10.2 381 381 A V H X S+ 0 0 4 -4,-2.1 4,-1.9 2,-0.2 -2,-0.2 0.883 114.5 50.3 -70.3 -39.6 32.1 21.4 10.6 382 382 A D H X S+ 0 0 14 -4,-1.9 4,-1.1 1,-0.2 -2,-0.2 0.895 112.2 47.1 -62.8 -42.8 34.4 21.8 13.6 383 383 A A H X S+ 0 0 56 -4,-2.1 4,-1.3 1,-0.2 -1,-0.2 0.852 113.4 48.2 -68.3 -36.7 37.3 20.4 11.6 384 384 A N H X S+ 0 0 66 -4,-1.7 4,-1.7 1,-0.2 -2,-0.2 0.827 109.5 50.8 -77.0 -32.9 36.6 22.5 8.6 385 385 A A H X S+ 0 0 0 -4,-1.9 4,-1.9 2,-0.2 -1,-0.2 0.720 107.1 55.5 -78.7 -22.7 36.3 25.8 10.5 386 386 A R H X S+ 0 0 40 -4,-1.1 4,-2.2 2,-0.2 -1,-0.2 0.854 105.4 52.4 -71.5 -38.9 39.6 25.1 12.3 387 387 A E H X S+ 0 0 104 -4,-1.3 4,-1.6 2,-0.2 -2,-0.2 0.936 113.4 43.5 -59.4 -48.4 41.2 24.8 8.8 388 388 A V H X S+ 0 0 27 -4,-1.7 4,-2.0 1,-0.2 -2,-0.2 0.896 111.4 54.1 -65.2 -41.7 39.8 28.1 7.9 389 389 A A H X S+ 0 0 0 -4,-1.9 4,-1.9 1,-0.2 -1,-0.2 0.882 106.8 51.7 -62.5 -39.9 40.7 29.7 11.2 390 390 A R H X S+ 0 0 129 -4,-2.2 4,-1.9 2,-0.2 -1,-0.2 0.877 107.7 52.1 -64.1 -41.8 44.4 28.6 10.9 391 391 A K H X S+ 0 0 133 -4,-1.6 4,-0.9 1,-0.2 -2,-0.2 0.915 111.2 47.0 -60.7 -45.3 44.6 30.2 7.4 392 392 A E H < S+ 0 0 15 -4,-2.0 4,-0.4 2,-0.2 -2,-0.2 0.839 107.3 57.4 -66.1 -36.2 43.2 33.5 8.7 393 393 A V H >< S+ 0 0 5 -4,-1.9 3,-1.5 1,-0.2 -1,-0.2 0.932 106.7 48.2 -58.9 -48.2 45.6 33.4 11.7 394 394 A M H >< S+ 0 0 137 -4,-1.9 3,-1.1 1,-0.3 -1,-0.2 0.727 100.6 66.9 -68.2 -18.8 48.6 33.2 9.3 395 395 A R T 3< S+ 0 0 184 -4,-0.9 -1,-0.3 1,-0.2 -2,-0.2 0.684 110.7 35.6 -77.2 -10.2 47.1 36.2 7.3 396 396 A L T < S+ 0 0 82 -3,-1.5 2,-0.4 -4,-0.4 -1,-0.2 0.047 97.7 114.4-122.4 25.8 47.8 38.4 10.4 397 397 A A < 0 0 38 -3,-1.1 -46,-0.1 1,-0.2 -47,-0.1 -0.780 360.0 360.0-106.6 142.1 51.1 36.7 11.6 398 398 A S 0 0 195 -48,-0.4 -1,-0.2 -2,-0.4 -48,-0.1 0.923 360.0 360.0 -81.8 360.0 54.6 38.3 11.7