==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=16-OCT-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 03-SEP-10 3ANL . COMPND 2 MOLECULE: 1-DEOXY-D-XYLULOSE 5-PHOSPHATE REDUCTOISOMERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR K.ENDO,M.KATO,L.DENG,Y.SONG,S.YAJIMA . 798 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 32000.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 591 74.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 78 9.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 38 4.8 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 . 41 5.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 84 10.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 312 39.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 17 2.1 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 4 0 0 0 4 6 0 2 5 3 2 0 0 2 0 2 0 0 0 1 1 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 10 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 . 3 0 0 2 3 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 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 0 A G 0 0 76 0, 0.0 2,-0.5 0, 0.0 27,-0.2 0.000 360.0 360.0 360.0 -72.6 -25.1 45.5 10.8 2 1 A K E -a 28 0A 100 25,-2.5 27,-2.9 93,-0.0 2,-0.5 -0.813 360.0-145.3 -92.2 125.6 -25.8 42.4 12.9 3 2 A Q E -a 29 0A 42 -2,-0.5 92,-2.1 90,-0.3 93,-2.0 -0.787 24.7-168.5 -94.0 129.7 -25.7 43.0 16.7 4 3 A L E -ab 30 96A 0 25,-2.5 27,-2.4 -2,-0.5 28,-1.5 -0.934 29.1-156.8-130.3 149.3 -24.4 40.1 18.7 5 4 A T E -ab 32 97A 0 91,-1.9 93,-2.7 -2,-0.4 2,-0.6 -0.957 17.2-156.2-103.7 130.6 -23.9 38.7 22.2 6 5 A I E > -ab 33 98A 0 26,-2.4 28,-2.6 -2,-0.5 2,-0.6 -0.951 4.7-161.5-107.5 111.7 -21.0 36.2 22.6 7 6 A L E 3 S+ab 34 99A 1 91,-3.3 93,-2.1 -2,-0.6 28,-0.2 -0.868 83.9 16.6 -91.3 120.0 -21.7 33.9 25.5 8 7 A G T > S+ 0 0 9 26,-2.6 3,-1.0 -2,-0.6 6,-0.6 0.867 79.2 167.3 82.1 48.7 -18.3 32.4 26.5 9 8 A S T < + 0 0 0 25,-2.4 9,-0.2 -3,-0.6 26,-0.2 0.723 65.8 56.8 -67.4 -25.7 -16.3 35.0 24.6 10 9 A T T 3 S+ 0 0 26 24,-0.3 -1,-0.2 4,-0.2 25,-0.1 0.609 93.1 82.5 -88.6 -13.7 -12.9 34.2 26.1 11 10 A G S <> S- 0 0 36 -3,-1.0 4,-2.7 89,-0.1 5,-0.3 -0.006 99.6 -82.4 -81.9-170.9 -12.8 30.5 25.1 12 11 A S H > S+ 0 0 86 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.949 128.5 41.3 -64.6 -49.6 -11.8 28.8 21.9 13 12 A I H > S+ 0 0 34 1,-0.2 4,-2.8 2,-0.2 -1,-0.2 0.898 115.0 54.0 -62.3 -41.2 -15.1 29.3 20.0 14 13 A G H > S+ 0 0 0 -6,-0.6 4,-2.1 86,-0.2 -2,-0.2 0.927 109.9 45.3 -58.9 -48.6 -15.5 32.8 21.4 15 14 A C H X S+ 0 0 27 -4,-2.7 4,-2.0 2,-0.2 -2,-0.2 0.904 113.0 50.6 -62.1 -43.1 -12.0 33.9 20.1 16 15 A S H X S+ 0 0 26 -4,-2.2 4,-1.7 -5,-0.3 -2,-0.2 0.940 109.4 51.6 -60.2 -43.1 -12.7 32.3 16.7 17 16 A T H X S+ 0 0 0 -4,-2.8 4,-1.9 1,-0.2 -2,-0.2 0.895 108.0 51.3 -59.3 -43.9 -16.0 34.2 16.5 18 17 A L H X S+ 0 0 2 -4,-2.1 4,-3.0 1,-0.2 -1,-0.2 0.839 104.7 58.4 -64.8 -33.4 -14.3 37.5 17.4 19 18 A D H X S+ 0 0 32 -4,-2.0 4,-2.4 2,-0.2 -1,-0.2 0.907 105.2 48.7 -57.0 -41.8 -11.8 36.7 14.6 20 19 A V H X S+ 0 0 0 -4,-1.7 4,-0.9 2,-0.2 -2,-0.2 0.893 112.2 49.2 -65.3 -38.9 -14.7 36.6 12.1 21 20 A V H >< S+ 0 0 6 -4,-1.9 3,-0.9 2,-0.2 7,-0.2 0.945 108.6 53.2 -61.7 -49.0 -15.9 39.9 13.5 22 21 A R H 3< S+ 0 0 94 -4,-3.0 -2,-0.2 1,-0.3 -1,-0.2 0.904 111.2 46.2 -48.8 -51.6 -12.4 41.3 13.1 23 22 A H H 3< S+ 0 0 77 -4,-2.4 -1,-0.3 1,-0.2 -2,-0.2 0.662 122.9 37.2 -63.4 -21.7 -12.4 40.2 9.4 24 23 A N XX + 0 0 13 -3,-0.9 3,-2.3 -4,-0.9 4,-1.2 -0.277 64.9 155.2-131.8 53.8 -15.9 41.7 9.0 25 24 A P T 34 S+ 0 0 77 0, 0.0 -1,-0.1 0, 0.0 -3,-0.1 0.743 76.3 51.1 -58.4 -28.1 -16.2 45.0 11.0 26 25 A E T 34 S+ 0 0 163 1,-0.2 3,-0.1 -25,-0.1 -5,-0.0 0.548 111.3 48.6 -85.2 -7.9 -19.0 46.5 8.9 27 26 A H T <4 S+ 0 0 102 -3,-2.3 -25,-2.5 1,-0.2 2,-0.4 0.679 113.2 38.2 -99.6 -25.4 -21.2 43.4 9.1 28 27 A F E < -a 2 0A 9 -4,-1.2 2,-0.5 -27,-0.2 -1,-0.2 -0.999 57.0-166.4-136.1 128.8 -21.1 42.6 12.9 29 28 A R E -a 3 0A 97 -27,-2.9 -25,-2.5 -2,-0.4 2,-0.7 -0.975 23.6-132.8-112.5 125.8 -21.2 44.9 16.0 30 29 A V E +a 4 0A 5 -2,-0.5 22,-0.2 19,-0.3 -25,-0.2 -0.710 31.3 168.5 -78.2 112.1 -20.4 43.3 19.4 31 30 A V E + 0 0 0 -27,-2.4 22,-2.0 -2,-0.7 21,-1.0 0.841 64.4 11.8 -85.3 -43.4 -23.0 44.4 21.9 32 31 A A E -ac 5 53A 0 -28,-1.5 -26,-2.4 20,-0.2 2,-0.4 -1.000 54.9-162.5-147.5 136.0 -22.2 42.0 24.9 33 32 A L E -ac 6 54A 0 20,-1.9 22,-2.7 -2,-0.3 2,-0.4 -0.970 13.2-170.3-116.3 136.5 -19.4 39.7 25.9 34 33 A V E +ac 7 55A 3 -28,-2.6 -26,-2.6 -2,-0.4 -25,-2.4 -0.995 15.9 148.1-129.4 133.2 -20.0 37.1 28.6 35 34 A A E - c 0 56A 7 20,-2.7 22,-2.0 -2,-0.4 23,-0.1 -0.786 40.1-123.0-143.6-171.3 -17.4 34.8 30.3 36 35 A G S S- 0 0 31 20,-0.3 22,-1.8 -2,-0.2 -1,-0.2 0.834 82.4 -29.6 -98.7 -78.3 -16.5 33.1 33.5 37 36 A K S S+ 0 0 151 20,-0.1 2,-2.0 19,-0.1 3,-0.2 0.440 92.3 113.2-128.2 -6.1 -13.2 34.0 35.1 38 37 A N > + 0 0 71 1,-0.2 4,-2.3 2,-0.1 5,-0.1 -0.473 30.9 162.2 -80.4 79.6 -10.7 35.0 32.3 39 38 A V H > + 0 0 12 -2,-2.0 4,-2.6 1,-0.2 -1,-0.2 0.903 68.8 55.9 -66.7 -44.4 -10.3 38.7 33.1 40 39 A T H > S+ 0 0 116 2,-0.2 4,-1.6 -3,-0.2 -1,-0.2 0.918 112.5 41.7 -53.8 -51.0 -7.1 39.2 31.1 41 40 A R H > S+ 0 0 106 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.937 112.6 55.1 -62.0 -47.1 -8.7 37.9 27.9 42 41 A M H X S+ 0 0 0 -4,-2.3 4,-2.4 1,-0.2 -2,-0.2 0.863 104.3 54.4 -57.3 -38.7 -11.9 39.8 28.6 43 42 A V H X S+ 0 0 7 -4,-2.6 4,-2.4 2,-0.2 -1,-0.2 0.959 109.6 46.3 -58.4 -53.2 -10.0 43.1 29.0 44 43 A E H X S+ 0 0 115 -4,-1.6 4,-2.6 1,-0.2 5,-0.2 0.913 113.6 48.2 -56.0 -47.0 -8.4 42.8 25.5 45 44 A Q H X S+ 0 0 3 -4,-2.4 4,-2.6 1,-0.2 5,-0.3 0.903 111.3 50.1 -63.2 -41.6 -11.7 41.9 23.9 46 45 A C H X S+ 0 0 1 -4,-2.4 4,-2.2 -5,-0.2 -2,-0.2 0.914 112.3 49.0 -63.2 -37.7 -13.5 44.8 25.5 47 46 A L H < S+ 0 0 59 -4,-2.4 -2,-0.2 2,-0.2 -1,-0.2 0.905 117.1 39.6 -66.0 -43.6 -10.8 47.2 24.4 48 47 A E H < S+ 0 0 96 -4,-2.6 -2,-0.2 -5,-0.2 -1,-0.2 0.885 128.4 29.3 -74.3 -41.7 -10.8 46.0 20.8 49 48 A F H < S- 0 0 31 -4,-2.6 -19,-0.3 -5,-0.2 -2,-0.2 0.597 86.1-144.4-106.2 -10.7 -14.5 45.5 20.3 50 49 A S < - 0 0 83 -4,-2.2 -4,-0.1 -5,-0.3 -3,-0.1 0.900 23.4-167.3 57.0 49.5 -16.1 48.1 22.7 51 50 A P - 0 0 3 0, 0.0 -20,-0.2 0, 0.0 -19,-0.2 -0.362 28.6-127.7 -68.1 154.5 -19.1 46.1 23.7 52 51 A R S S+ 0 0 120 -21,-1.0 25,-2.8 -22,-0.2 2,-0.3 0.876 93.4 21.1 -58.6 -36.8 -21.9 47.9 25.6 53 52 A Y E -cd 32 77A 47 -22,-2.0 -20,-1.9 23,-0.2 2,-0.4 -0.966 57.6-170.4-137.9 148.4 -21.7 45.2 28.3 54 53 A A E -cd 33 78A 0 23,-2.0 25,-2.7 -2,-0.3 2,-0.4 -0.996 14.0-167.9-131.1 133.4 -19.3 42.7 29.6 55 54 A V E -cd 34 79A 0 -22,-2.7 -20,-2.7 -2,-0.4 2,-0.4 -0.971 9.7-167.0-122.7 140.8 -20.3 40.0 32.1 56 55 A M E -cd 35 80A 0 23,-1.6 25,-1.7 -2,-0.4 -20,-0.3 -0.974 17.2-147.1-114.5 137.5 -18.2 37.7 34.2 57 56 A D S S+ 0 0 89 -22,-2.0 2,-0.4 -2,-0.4 25,-0.2 0.880 85.3 74.2 -68.3 -39.9 -20.0 34.9 35.9 58 57 A D S > S- 0 0 53 -22,-1.8 4,-2.4 1,-0.1 5,-0.1 -0.628 77.3-146.4 -78.1 126.5 -17.6 35.0 38.8 59 58 A E H > S+ 0 0 126 -2,-0.4 4,-1.9 2,-0.2 -1,-0.1 0.873 97.6 46.7 -65.3 -40.1 -18.2 38.1 41.1 60 59 A A H > S+ 0 0 72 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.940 112.6 51.3 -68.3 -42.3 -14.6 38.7 42.0 61 60 A S H > S+ 0 0 14 1,-0.2 4,-2.5 2,-0.2 -2,-0.2 0.925 110.9 49.1 -55.0 -45.9 -13.5 38.3 38.3 62 61 A A H X S+ 0 0 4 -4,-2.4 4,-1.8 2,-0.2 -1,-0.2 0.846 109.5 51.0 -66.0 -35.5 -16.2 40.8 37.4 63 62 A K H X S+ 0 0 123 -4,-1.9 4,-1.6 2,-0.2 -2,-0.2 0.965 111.2 48.2 -65.5 -50.7 -15.1 43.3 40.1 64 63 A L H >X S+ 0 0 93 -4,-2.7 4,-2.1 1,-0.2 3,-0.5 0.962 112.2 49.4 -47.6 -57.8 -11.5 43.1 38.9 65 64 A L H 3X S+ 0 0 0 -4,-2.5 4,-2.1 1,-0.2 -1,-0.2 0.837 104.9 59.5 -53.8 -37.7 -12.7 43.6 35.3 66 65 A K H 3X S+ 0 0 99 -4,-1.8 4,-1.3 2,-0.2 -1,-0.2 0.930 111.1 39.3 -59.0 -45.7 -14.8 46.7 36.3 67 66 A T H S+ 0 0 2 -4,-2.1 5,-2.6 -5,-0.2 -1,-0.3 0.779 107.7 54.6 -75.0 -32.5 -11.7 48.8 32.2 70 69 A Q H ><5S+ 0 0 136 -4,-1.3 3,-1.9 -3,-0.4 -2,-0.2 0.978 110.7 47.2 -65.0 -55.6 -12.5 52.1 33.9 71 70 A Q H 3<5S+ 0 0 125 -4,-2.3 -2,-0.2 1,-0.3 -1,-0.1 0.934 107.6 53.5 -43.9 -60.9 -8.8 53.0 34.0 72 71 A Q T 3<5S- 0 0 103 -4,-1.8 -1,-0.3 -5,-0.2 -2,-0.2 0.410 119.0-118.3 -62.2 2.9 -8.2 52.0 30.4 73 72 A G T < 5 + 0 0 57 -3,-1.9 2,-0.2 1,-0.2 -3,-0.2 0.650 57.9 157.1 68.4 20.7 -11.0 54.4 29.8 74 73 A S < - 0 0 27 -5,-2.6 -1,-0.2 -6,-0.1 -27,-0.1 -0.560 39.5-147.7 -75.4 141.6 -13.5 51.9 28.2 75 74 A R + 0 0 232 -2,-0.2 2,-0.3 2,-0.1 -1,-0.1 0.167 54.8 130.3 -86.3 13.1 -17.2 52.7 28.4 76 75 A T - 0 0 13 -7,-0.2 2,-0.6 1,-0.1 -23,-0.2 -0.530 58.7-130.5 -72.9 132.1 -18.2 49.0 28.7 77 76 A E E -d 53 0A 80 -25,-2.8 -23,-2.0 -2,-0.3 2,-0.5 -0.721 20.1-144.4 -85.4 119.9 -20.6 48.4 31.5 78 77 A V E +d 54 0A 7 -2,-0.6 2,-0.2 -25,-0.2 -23,-0.2 -0.704 24.0 172.7 -92.6 125.3 -19.4 45.5 33.7 79 78 A L E -d 55 0A 46 -25,-2.7 -23,-1.6 -2,-0.5 2,-0.3 -0.768 14.7-144.2-122.1 169.8 -22.0 43.2 35.2 80 79 A S E +d 56 0A 35 -2,-0.2 4,-0.5 -25,-0.2 -23,-0.2 -0.946 43.1 24.5-137.7 158.2 -21.8 39.9 37.1 81 80 A G S > S- 0 0 22 -25,-1.7 4,-1.5 -2,-0.3 -23,-0.1 0.025 85.2 -65.3 83.2 177.2 -23.5 36.5 37.6 82 81 A Q H > S+ 0 0 71 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.849 123.7 56.7 -77.5 -40.5 -25.9 34.2 35.7 83 82 A Q H > S+ 0 0 134 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.916 109.1 48.6 -55.6 -45.3 -29.0 36.5 35.5 84 83 A A H > S+ 0 0 13 -4,-0.5 4,-1.7 2,-0.2 -1,-0.2 0.885 110.1 52.8 -61.2 -42.5 -26.9 39.2 33.9 85 84 A A H X S+ 0 0 5 -4,-1.5 4,-1.1 1,-0.2 -2,-0.2 0.875 110.8 46.3 -58.9 -42.3 -25.6 36.5 31.4 86 85 A C H X S+ 0 0 18 -4,-2.3 4,-0.8 1,-0.2 -2,-0.2 0.861 108.8 55.4 -69.9 -38.7 -29.1 35.5 30.5 87 86 A D H < S+ 0 0 100 -4,-2.3 3,-0.4 1,-0.2 4,-0.4 0.845 104.3 54.0 -61.6 -35.9 -30.2 39.1 30.1 88 87 A M H >< S+ 0 0 6 -4,-1.7 3,-0.7 1,-0.2 -1,-0.2 0.854 106.0 53.0 -66.2 -35.0 -27.4 39.7 27.5 89 88 A A H 3< S+ 0 0 0 -4,-1.1 -1,-0.2 1,-0.2 -2,-0.2 0.688 114.1 44.1 -70.4 -19.5 -28.7 36.8 25.6 90 89 A A T 3< S+ 0 0 39 -4,-0.8 -1,-0.2 -3,-0.4 -2,-0.2 0.350 77.3 142.7-106.2 4.2 -32.1 38.5 25.6 91 90 A L X - 0 0 28 -3,-0.7 3,-1.2 -4,-0.4 -3,-0.1 -0.171 53.0-132.0 -51.4 133.2 -31.2 42.1 24.8 92 91 A E T 3 S+ 0 0 190 1,-0.2 -1,-0.1 3,-0.0 0, 0.0 0.897 104.2 47.5 -52.1 -47.3 -33.8 43.7 22.5 93 92 A D T 3 S+ 0 0 89 -89,-0.0 2,-0.3 -62,-0.0 -90,-0.3 0.558 89.5 105.3 -77.5 -8.5 -31.3 45.1 20.1 94 93 A V < - 0 0 2 -3,-1.2 -90,-0.2 1,-0.1 3,-0.1 -0.572 42.5-179.1 -79.4 130.2 -29.4 41.8 19.7 95 94 A D + 0 0 65 -92,-2.1 24,-2.0 -2,-0.3 2,-0.4 0.846 66.3 23.3 -88.8 -46.5 -29.8 39.8 16.5 96 95 A Q E -be 4 119A 6 -93,-2.0 -91,-1.9 22,-0.2 2,-0.5 -0.958 59.5-156.3-128.7 144.4 -27.6 36.7 17.1 97 96 A V E -be 5 120A 0 22,-2.8 24,-2.5 -2,-0.4 2,-0.8 -0.982 11.7-146.1-127.5 121.3 -26.2 35.0 20.1 98 97 A M E -be 6 121A 0 -93,-2.7 -91,-3.3 -2,-0.5 2,-1.2 -0.795 14.8-157.2 -79.6 109.1 -23.1 32.9 20.0 99 98 A A E +be 7 122A 0 22,-2.8 25,-2.7 -2,-0.8 24,-1.7 -0.728 40.1 139.0 -95.2 82.3 -23.8 30.2 22.6 100 99 A A + 0 0 20 -93,-2.1 2,-0.2 -2,-1.2 -86,-0.2 0.034 19.3 127.8-118.6 22.1 -20.3 29.1 23.4 101 100 A I - 0 0 31 5,-0.1 2,-0.3 -88,-0.1 5,-0.1 -0.617 57.5-123.9 -75.0 141.1 -20.4 28.6 27.2 102 101 A V - 0 0 133 -2,-0.2 3,-0.4 22,-0.1 4,-0.1 -0.659 60.5 -7.7 -84.3 143.0 -19.0 25.2 28.3 103 102 A G S > S- 0 0 13 -2,-0.3 3,-2.5 1,-0.2 4,-0.3 -0.051 112.6 -31.8 82.1-176.9 -21.0 22.6 30.4 104 103 A A G > S+ 0 0 25 1,-0.3 3,-1.6 2,-0.2 4,-0.4 0.768 126.6 73.2 -50.7 -28.7 -24.3 22.8 32.3 105 104 A A G 3 S+ 0 0 59 -3,-0.4 -1,-0.3 1,-0.2 -2,-0.2 0.706 88.0 62.3 -57.0 -22.4 -23.6 26.6 32.9 106 105 A G G <> S+ 0 0 0 -3,-2.5 4,-2.0 1,-0.1 -1,-0.2 0.654 86.3 80.7 -77.1 -16.1 -24.4 27.2 29.2 107 106 A L H <> S+ 0 0 2 -3,-1.6 4,-3.0 -4,-0.3 5,-0.2 0.948 90.7 39.4 -62.6 -58.1 -28.0 26.0 29.6 108 107 A L H > S+ 0 0 60 -4,-0.4 4,-2.4 1,-0.2 -1,-0.2 0.907 117.6 49.3 -65.0 -41.9 -30.0 29.0 31.1 109 108 A P H > S+ 0 0 2 0, 0.0 4,-1.6 0, 0.0 -1,-0.2 0.928 113.4 46.5 -65.2 -36.1 -28.2 31.6 29.0 110 109 A T H X S+ 0 0 2 -4,-2.0 4,-2.2 1,-0.2 3,-0.3 0.955 113.3 49.1 -65.4 -49.0 -28.8 29.6 25.8 111 110 A L H X S+ 0 0 27 -4,-3.0 4,-2.8 1,-0.2 5,-0.2 0.856 105.3 58.4 -52.9 -39.7 -32.4 29.1 26.8 112 111 A A H X S+ 0 0 22 -4,-2.4 4,-1.0 2,-0.2 -1,-0.2 0.905 107.1 48.4 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72.1-102.3 -59.5 133.6 -5.8 -1.2 17.7 194 193 A P >> - 0 0 73 0, 0.0 3,-1.6 0, 0.0 4,-0.6 -0.391 33.7-125.7 -50.3 134.8 -6.3 -4.9 18.6 195 194 A L G >4 S+ 0 0 74 1,-0.3 3,-1.6 2,-0.2 4,-0.4 0.898 108.6 59.8 -56.5 -40.9 -9.4 -4.9 20.9 196 195 A R G 34 S+ 0 0 217 1,-0.3 3,-0.3 2,-0.1 -1,-0.3 0.720 100.2 57.9 -60.9 -20.8 -7.5 -6.7 23.6 197 196 A D G X4 S+ 0 0 64 -3,-1.6 3,-1.5 1,-0.2 4,-0.3 0.652 82.6 83.7 -83.6 -14.6 -5.0 -3.9 23.8 198 197 A L G X< S+ 0 0 10 -3,-1.6 3,-1.4 -4,-0.6 155,-0.3 0.851 80.9 63.1 -56.4 -39.0 -7.6 -1.2 24.5 199 198 A A G 3 S+ 0 0 30 -4,-0.4 154,-0.4 -3,-0.3 -1,-0.3 0.723 105.1 46.7 -61.6 -22.9 -7.6 -1.9 28.3 200 199 A T G < S+ 0 0 89 -3,-1.5 -1,-0.3 -4,-0.1 -2,-0.2 0.379 80.1 125.2-104.7 4.1 -3.9 -0.9 28.6 201 200 A M < - 0 0 29 -3,-1.4 152,-0.6 -4,-0.3 153,-0.1 -0.400 53.0-136.3 -65.3 138.9 -4.0 2.4 26.6 202 201 A T > - 0 0 58 -2,-0.1 4,-2.4 1,-0.1 5,-0.2 -0.512 21.6-108.2 -93.6 161.1 -2.7 5.4 28.4 203 202 A P H > S+ 0 0 9 0, 0.0 4,-2.1 0, 0.0 5,-0.2 0.941 121.0 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E H X S+ 0 0 117 -4,-1.6 4,-1.5 1,-0.2 -2,-0.2 0.900 112.2 48.7 -62.6 -37.6 -43.2 1.0 -26.8 446 44 B Q H X S+ 0 0 11 -4,-2.3 4,-2.9 1,-0.2 5,-0.3 0.917 111.1 49.9 -69.0 -42.0 -42.9 4.4 -25.2 447 45 B C H X S+ 0 0 1 -4,-2.8 4,-1.3 1,-0.2 -1,-0.2 0.877 111.0 50.0 -60.8 -38.6 -46.2 5.6 -26.7 448 46 B L H < S+ 0 0 65 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.784 118.3 38.9 -75.7 -25.6 -47.9 2.4 -25.5 449 47 B E H < S+ 0 0 96 -4,-1.5 -2,-0.2 -5,-0.2 -3,-0.2 0.897 125.0 31.8 -83.1 -47.7 -46.6 2.9 -22.0 450 48 B F H < S- 0 0 21 -4,-2.9 -19,-0.4 -5,-0.2 -3,-0.2 0.488 87.1-141.6-101.8 -3.7 -46.8 6.6 -21.4 451 49 B S < - 0 0 74 -4,-1.3 -4,-0.1 -5,-0.3 -3,-0.1 0.840 27.1-169.8 51.6 50.1 -49.9 7.5 -23.5 452 50 B P - 0 0 4 0, 0.0 -20,-0.2 0, 0.0 -19,-0.2 -0.287 30.0-130.5 -70.3 158.9 -48.6 10.8 -24.8 453 51 B R S S+ 0 0 122 -21,-1.6 25,-2.2 -22,-0.2 2,-0.3 0.875 92.5 22.5 -67.7 -35.9 -50.9 13.3 -26.7 454 52 B Y E -st 433 478D 48 -22,-2.0 -20,-1.7 23,-0.2 2,-0.4 -0.958 57.5-167.7-135.5 147.5 -48.2 13.5 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-64.0 -46.6 -45.3 7.2 -41.3 465 63 B L H X S+ 0 0 92 -4,-2.3 4,-2.3 1,-0.2 -2,-0.2 0.869 111.4 53.6 -59.4 -43.2 -44.2 3.7 -40.0 466 64 B L H X S+ 0 0 0 -4,-2.2 4,-2.8 2,-0.2 5,-0.2 0.905 105.9 53.2 -59.4 -46.9 -44.9 4.8 -36.4 467 65 B K H X S+ 0 0 99 -4,-2.1 4,-2.0 1,-0.2 -2,-0.2 0.923 110.2 47.4 -55.3 -45.8 -48.4 5.9 -37.3 468 66 B T H X S+ 0 0 66 -4,-1.7 4,-2.4 1,-0.2 -1,-0.2 0.887 113.6 47.5 -67.7 -37.6 -49.2 2.5 -38.9 469 67 B M H X S+ 0 0 52 -4,-2.3 4,-1.8 2,-0.2 -2,-0.2 0.923 111.3 49.0 -69.8 -42.4 -47.8 0.6 -35.9 470 68 B L H <>S+ 0 0 2 -4,-2.8 5,-2.8 2,-0.2 4,-0.4 0.882 113.5 49.6 -62.6 -36.6 -49.7 2.7 -33.3 471 69 B Q H ><5S+ 0 0 115 -4,-2.0 3,-1.3 -5,-0.2 -2,-0.2 0.937 108.7 49.5 -66.5 -50.7 -52.9 2.2 -35.3 472 70 B Q H 3<5S+ 0 0 148 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.801 114.3 48.6 -51.9 -37.0 -52.4 -1.6 -35.6 473 71 B Q T 3<5S- 0 0 107 -4,-1.8 -1,-0.3 -5,-0.1 -2,-0.2 0.452 117.0-114.3 -89.5 -3.0 -51.9 -1.5 -31.7 474 72 B G T < 5 + 0 0 61 -3,-1.3 2,-0.3 -4,-0.4 -3,-0.2 0.585 64.0 146.4 85.1 11.4 -55.0 0.7 -31.1 475 73 B S < - 0 0 20 -5,-2.8 -1,-0.3 -6,-0.2 -2,-0.1 -0.645 39.0-160.2 -86.6 138.2 -53.2 3.8 -29.8 476 74 B R + 0 0 201 -2,-0.3 -1,-0.1 2,-0.1 -5,-0.1 0.210 43.3 137.7 -97.5 6.9 -54.7 7.2 -30.6 477 75 B T - 0 0 17 -7,-0.1 2,-0.5 1,-0.1 -23,-0.2 -0.342 59.5-119.1 -47.1 129.3 -51.4 9.1 -30.0 478 76 B E E -t 454 0D 78 -25,-2.2 -23,-2.5 -26,-0.2 2,-0.5 -0.713 24.6-145.0 -82.1 125.4 -51.1 11.7 -32.7 479 77 B V E +t 455 0D 13 -2,-0.5 2,-0.3 -25,-0.2 -23,-0.2 -0.772 22.2 174.1 -94.9 125.5 -48.0 11.2 -34.9 480 78 B L E -t 456 0D 46 -25,-2.7 -23,-1.8 -2,-0.5 2,-0.3 -0.750 12.9-148.4-117.4 168.3 -46.2 14.3 -36.3 481 79 B S E +t 457 0D 53 -2,-0.3 4,-0.5 -25,-0.2 -23,-0.2 -0.982 41.3 21.9-138.9 156.8 -43.0 14.7 -38.3 482 80 B G S > S- 0 0 21 -25,-1.6 4,-1.6 -2,-0.3 -23,-0.1 -0.086 85.8 -60.6 86.9-178.1 -40.1 17.0 -38.8 483 81 B Q H > S+ 0 0 90 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.837 123.2 55.4 -81.2 -36.0 -38.4 19.8 -37.1 484 82 B Q H > S+ 0 0 128 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.926 108.7 51.2 -62.2 -43.4 -41.2 22.4 -36.8 485 83 B A H > S+ 0 0 11 -4,-0.5 4,-2.0 2,-0.2 -2,-0.2 0.902 107.7 52.5 -56.3 -45.7 -43.3 19.7 -35.0 486 84 B A H X S+ 0 0 5 -4,-1.6 4,-1.5 1,-0.2 -1,-0.2 0.919 111.4 47.0 -56.3 -47.2 -40.4 19.0 -32.6 487 85 B C H X S+ 0 0 15 -4,-2.3 4,-0.9 1,-0.2 -2,-0.2 0.880 108.7 55.3 -61.1 -39.3 -40.2 22.8 -31.8 488 86 B D H < S+ 0 0 75 -4,-2.4 3,-0.3 1,-0.2 4,-0.2 0.863 106.5 50.4 -64.5 -38.1 -44.0 22.9 -31.4 489 87 B M H >< S+ 0 0 7 -4,-2.0 3,-0.8 1,-0.2 -1,-0.2 0.844 108.3 52.8 -65.3 -36.2 -43.9 20.2 -28.7 490 88 B A H 3< S+ 0 0 0 -4,-1.5 -1,-0.2 1,-0.2 -2,-0.2 0.708 114.8 42.8 -70.7 -19.8 -41.2 22.0 -26.9 491 89 B A T 3< S+ 0 0 40 -4,-0.9 -1,-0.2 -3,-0.3 -2,-0.2 0.289 77.2 143.9-109.8 4.3 -43.4 25.1 -26.9 492 90 B L X - 0 0 38 -3,-0.8 3,-1.7 -4,-0.2 -3,-0.1 -0.255 52.9-131.4 -54.7 125.3 -46.8 23.6 -26.0 493 91 B E T 3 S+ 0 0 178 1,-0.3 -1,-0.1 3,-0.0 0, 0.0 0.833 102.8 46.8 -45.0 -43.4 -48.7 26.0 -23.8 494 92 B D T 3 S+ 0 0 117 2,-0.0 -1,-0.3 -62,-0.0 -90,-0.3 0.541 88.0 103.0 -84.7 -6.6 -49.7 23.3 -21.2 495 93 B V < - 0 0 4 -3,-1.7 -90,-0.2 1,-0.1 3,-0.1 -0.574 45.4-173.0 -78.5 143.6 -46.2 21.7 -20.8 496 94 B D + 0 0 69 -92,-2.5 24,-2.0 1,-0.3 2,-0.4 0.799 67.6 27.9 -94.2 -40.8 -44.1 22.6 -17.7 497 95 B Q E -ru 405 520D 5 -93,-1.9 -91,-2.5 22,-0.2 2,-0.5 -0.964 57.0-158.8-134.2 142.9 -40.8 20.9 -18.4 498 96 B V E -ru 406 521D 0 22,-2.5 24,-2.6 -2,-0.4 2,-0.9 -0.982 13.5-147.1-125.5 116.4 -38.9 20.0 -21.5 499 97 B M E -ru 407 522D 1 -93,-2.6 -91,-2.9 -2,-0.5 2,-1.4 -0.777 16.2-155.6 -77.7 103.8 -36.2 17.2 -21.3 500 98 B A E +ru 408 523D 0 22,-2.8 24,-1.7 -2,-0.9 -91,-0.1 -0.656 41.7 137.4 -86.5 84.8 -33.8 18.6 -23.9 501 99 B A + 0 0 17 -93,-1.9 2,-0.2 -2,-1.4 -86,-0.2 0.108 17.1 128.8-122.3 21.9 -32.0 15.3 -24.8 502 100 B I - 0 0 28 5,-0.1 2,-0.3 -3,-0.1 5,-0.1 -0.615 58.0-124.5 -69.4 139.2 -31.6 15.4 -28.7 503 101 B V - 0 0 129 -2,-0.2 3,-0.4 22,-0.1 4,-0.1 -0.637 62.0 -4.8 -83.7 142.1 -28.0 14.7 -29.6 504 102 B G S > S- 0 0 13 -2,-0.3 3,-2.1 1,-0.2 4,-0.2 -0.119 113.2 -32.9 80.5-170.6 -25.9 17.1 -31.8 505 103 B A G > S+ 0 0 33 1,-0.3 3,-1.5 2,-0.2 4,-0.5 0.717 125.5 74.4 -57.6 -28.9 -26.8 20.4 -33.7 506 104 B A G 3 S+ 0 0 60 -3,-0.4 -1,-0.3 1,-0.2 -2,-0.2 0.669 88.3 60.5 -58.3 -21.9 -30.3 19.0 -34.3 507 105 B G G <> S+ 0 0 0 -3,-2.1 4,-2.0 1,-0.1 -1,-0.2 0.627 86.9 81.0 -81.1 -9.9 -31.1 19.6 -30.6 508 106 B L H <> S+ 0 0 2 -3,-1.5 4,-2.8 -4,-0.2 5,-0.2 0.944 91.8 38.8 -67.2 -56.5 -30.5 23.4 -30.9 509 107 B L H > S+ 0 0 61 -4,-0.5 4,-2.4 2,-0.2 5,-0.2 0.942 117.6 48.6 -67.4 -44.4 -33.8 24.7 -32.5 510 108 B P H > S+ 0 0 5 0, 0.0 4,-1.3 0, 0.0 -1,-0.2 0.932 113.4 49.4 -60.0 -38.1 -36.1 22.5 -30.4 511 109 B T H X S+ 0 0 1 -4,-2.0 4,-1.9 1,-0.2 3,-0.3 0.931 110.5 49.3 -62.4 -45.9 -34.1 23.5 -27.3 512 110 B L H X S+ 0 0 15 -4,-2.8 4,-3.3 1,-0.2 5,-0.2 0.864 104.4 59.8 -59.2 -38.5 -34.4 27.2 -28.2 513 111 B A H X S+ 0 0 20 -4,-2.4 4,-1.2 1,-0.2 -1,-0.2 0.875 107.4 46.5 -57.2 -37.0 -38.2 26.9 -28.8 514 112 B A H <>S+ 0 0 0 -4,-1.3 5,-2.4 -3,-0.3 4,-0.2 0.895 112.4 49.1 -73.5 -42.1 -38.5 25.7 -25.2 515 113 B I H ><5S+ 0 0 2 -4,-1.9 3,-1.9 1,-0.2 30,-0.3 0.945 110.9 50.4 -60.2 -48.2 -36.4 28.6 -23.9 516 114 B R H 3<5S+ 0 0 169 -4,-3.3 -1,-0.2 1,-0.3 -2,-0.2 0.779 107.6 54.6 -62.3 -28.0 -38.4 31.1 -26.0 517 115 B A T 3<5S- 0 0 43 -4,-1.2 -1,-0.3 -5,-0.2 -2,-0.2 0.435 114.8-118.4 -86.1 1.3 -41.6 29.6 -24.5 518 116 B G T < 5 + 0 0 34 -3,-1.9 -3,-0.2 -4,-0.2 28,-0.2 0.744 58.7 159.1 73.0 24.9 -40.3 30.2 -20.9 519 117 B K < - 0 0 22 -5,-2.4 27,-0.9 26,-0.1 2,-0.6 -0.253 52.9 -99.9 -75.2 163.8 -40.3 26.5 -20.1 520 118 B T E -uv 497 546D 39 -24,-2.0 -22,-2.5 25,-0.2 2,-0.6 -0.798 44.9-150.8 -76.3 123.0 -38.4 24.7 -17.4 521 119 B I E -uv 498 547D 0 25,-3.3 27,-2.8 -2,-0.6 2,-1.1 -0.918 16.5-160.2-108.2 113.7 -35.5 23.2 -19.4 522 120 B L E -uv 499 548D 0 -24,-2.6 -22,-2.8 -2,-0.6 2,-0.8 -0.818 30.7-149.1 -87.1 96.5 -34.0 19.9 -18.2 523 121 B L E +uv 500 549D 12 25,-1.7 27,-2.5 -2,-1.1 28,-0.7 -0.637 46.0 138.7 -88.8 111.3 -30.8 20.5 -20.2 524 122 B A + 0 0 29 -24,-1.7 2,-0.4 -2,-0.8 -1,-0.1 -0.195 40.9 103.0-137.6 37.2 -29.0 17.5 -21.5 525 123 B N - 0 0 3 1,-0.1 4,-0.5 -24,-0.1 3,-0.3 -0.996 56.9-154.5-119.6 123.5 -28.0 18.5 -25.1 526 124 B K S >> S+ 0 0 48 -2,-0.4 4,-2.1 1,-0.2 3,-0.6 0.851 86.6 59.0 -67.5 -41.9 -24.3 19.5 -25.3 527 125 B E H 3>>S+ 0 0 10 1,-0.2 4,-2.3 2,-0.2 5,-1.5 0.766 87.2 77.5 -66.0 -28.5 -24.4 21.8 -28.3 528 126 B S H 3>5S+ 0 0 0 -3,-0.3 4,-0.6 1,-0.2 8,-0.3 0.929 116.0 13.6 -47.9 -53.2 -26.9 24.2 -26.6 529 127 B L H <>5S+ 0 0 1 -3,-0.6 4,-0.8 -4,-0.5 -1,-0.2 0.723 124.4 59.8-100.0 -25.1 -24.2 25.8 -24.4 530 128 B V H <5S+ 0 0 0 -4,-2.1 -3,-0.2 2,-0.1 -2,-0.2 0.904 128.9 13.0 -68.1 -38.7 -21.0 24.5 -26.1 531 129 B T H <5S+ 0 0 2 -4,-2.3 203,-0.2 -5,-0.2 3,-0.2 0.799 141.6 30.3-104.6 -36.4 -22.0 26.2 -29.3 532 130 B C H X S+ 0 0 60 -3,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.955 117.7 42.5 -65.4 -49.1 -24.2 33.3 -25.5 535 133 B L H > S+ 0 0 27 1,-0.2 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