==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=9-NOV-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 05-MAR-12 4E13 . COMPND 2 MOLECULE: DIKETOREDUCTASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ACINETOBACTER BAYLYI; . AUTHOR M.LU,M.A.WHITE,Y.HUANG,X.WU,N.LIU,X.CHENG,Y.CHEN . 283 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13913.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 211 74.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 29 10.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 10 3.5 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.4 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 0.4 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 . 17 6.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 26 9.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 112 39.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 9 3.2 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 1 0 0 2 2 0 0 0 2 2 1 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 2 3 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 PARALLEL BRIDGES PER LADDER . 2 0 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 0 ANTIPARALLEL BRIDGES PER LADDER . 0 1 0 0 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 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 0 251 0, 0.0 2,-0.2 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -68.1 13.6 7.6 67.6 2 2 A T - 0 0 122 1,-0.1 3,-0.1 0, 0.0 2,-0.0 -0.498 360.0-147.7 -99.2 164.7 15.0 11.2 67.6 3 3 A G + 0 0 28 1,-0.2 -1,-0.1 -2,-0.2 2,-0.1 0.130 57.1 1.5-105.2-140.0 18.3 12.6 66.7 4 4 A I + 0 0 23 1,-0.2 -1,-0.2 83,-0.1 3,-0.1 -0.234 65.1 133.9 -57.2 121.1 20.5 15.5 67.9 5 5 A T + 0 0 60 1,-0.3 24,-2.7 -3,-0.1 2,-0.6 0.547 59.1 57.1-131.4 -47.9 18.9 17.5 70.7 6 6 A N E -a 29 0A 42 79,-0.2 81,-2.5 22,-0.2 82,-1.9 -0.830 64.4-178.2 -98.2 121.0 21.6 18.1 73.4 7 7 A V E -ab 30 88A 0 22,-2.7 24,-2.4 -2,-0.6 2,-0.5 -0.976 9.6-165.8-122.6 131.2 24.7 19.8 72.1 8 8 A T E -ab 31 89A 2 80,-2.4 82,-2.6 -2,-0.4 2,-0.5 -0.968 7.1-156.1-114.1 132.0 27.7 20.6 74.2 9 9 A V E -ab 32 90A 0 22,-2.5 24,-3.2 -2,-0.5 2,-0.8 -0.932 9.3-143.9-108.8 129.6 30.3 23.1 73.0 10 10 A L E S+ab 33 91A 0 80,-2.9 82,-2.4 -2,-0.5 24,-0.2 -0.816 74.0 19.5 -95.7 109.0 33.8 22.9 74.4 11 11 A G - 0 0 8 22,-3.5 22,-0.2 -2,-0.8 23,-0.1 0.099 59.4-145.8 103.6 136.2 35.2 26.4 74.7 12 12 A T + 0 0 1 4,-0.2 34,-0.1 20,-0.1 -1,-0.1 -0.071 58.0 119.1-127.9 28.9 33.4 29.6 74.9 13 13 A G S > S- 0 0 28 79,-0.4 4,-2.5 4,-0.1 5,-0.4 0.256 86.3 -50.5 -75.4-152.6 35.8 31.8 73.1 14 14 A V H > S+ 0 0 92 1,-0.2 4,-0.9 2,-0.2 5,-0.1 0.911 141.2 21.7 -53.6 -51.8 35.3 33.8 69.9 15 15 A L H > S+ 0 0 37 2,-0.2 4,-2.7 3,-0.1 -1,-0.2 0.793 119.4 60.8 -89.8 -29.4 33.9 30.9 67.9 16 16 A G H > S+ 0 0 2 76,-0.3 4,-2.7 2,-0.2 5,-0.2 0.920 107.3 45.7 -61.0 -44.6 32.8 28.7 70.8 17 17 A S H X S+ 0 0 6 -4,-2.5 4,-2.7 2,-0.2 5,-0.2 0.924 114.4 48.1 -65.9 -44.3 30.4 31.3 72.0 18 18 A Q H X S+ 0 0 9 -4,-0.9 4,-2.4 -5,-0.4 5,-0.3 0.910 113.9 47.2 -62.5 -44.0 29.0 32.1 68.5 19 19 A I H X S+ 0 0 0 -4,-2.7 4,-2.0 2,-0.2 -2,-0.2 0.963 114.7 45.9 -60.6 -52.6 28.5 28.4 67.8 20 20 A A H X S+ 0 0 0 -4,-2.7 4,-2.4 -5,-0.2 -2,-0.2 0.903 115.0 47.6 -55.6 -44.4 26.8 27.7 71.1 21 21 A F H X S+ 0 0 0 -4,-2.7 4,-2.8 1,-0.2 -1,-0.2 0.914 110.2 48.8 -71.6 -43.8 24.6 30.8 70.8 22 22 A Q H X S+ 0 0 9 -4,-2.4 4,-1.2 2,-0.2 -1,-0.2 0.877 113.6 50.1 -58.1 -39.0 23.4 30.1 67.2 23 23 A T H <>S+ 0 0 0 -4,-2.0 5,-1.9 -5,-0.3 -2,-0.2 0.912 112.5 45.0 -69.8 -41.8 22.7 26.6 68.3 24 24 A A H ><5S+ 0 0 12 -4,-2.4 3,-1.8 1,-0.2 -2,-0.2 0.869 108.1 59.0 -66.0 -37.6 20.7 27.7 71.3 25 25 A F H 3<5S+ 0 0 39 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.810 103.2 53.9 -63.7 -27.5 18.9 30.3 69.2 26 26 A H T 3<5S- 0 0 73 -4,-1.2 -1,-0.3 -3,-0.2 -2,-0.2 0.114 125.8 -95.8 -97.9 21.8 17.7 27.5 67.0 27 27 A G T < 5S+ 0 0 69 -3,-1.8 -3,-0.2 1,-0.3 2,-0.1 0.516 76.7 135.7 89.2 4.6 16.1 25.5 69.7 28 28 A F < - 0 0 37 -5,-1.9 2,-0.9 1,-0.1 -1,-0.3 -0.472 63.0-109.7 -79.7 159.5 18.7 22.9 70.7 29 29 A A E -a 6 0A 48 -24,-2.7 -22,-2.7 -2,-0.1 2,-0.4 -0.816 46.1-162.6 -90.6 108.8 19.5 22.2 74.3 30 30 A V E -a 7 0A 5 -2,-0.9 44,-2.8 -24,-0.2 2,-0.5 -0.797 22.0-173.3-107.7 133.7 23.0 23.8 74.8 31 31 A T E -ac 8 74A 10 -24,-2.4 -22,-2.5 -2,-0.4 2,-0.6 -0.988 15.1-152.1-115.9 124.6 25.7 23.3 77.4 32 32 A A E -ac 9 75A 0 42,-3.7 44,-2.1 -2,-0.5 2,-0.4 -0.870 14.1-161.0 -96.4 121.8 28.7 25.6 77.2 33 33 A Y E +ac 10 76A 33 -24,-3.2 -22,-3.5 -2,-0.6 2,-0.3 -0.863 19.8 153.7-106.2 136.7 31.8 24.0 78.6 34 34 A D - 0 0 30 42,-1.8 6,-0.1 -2,-0.4 59,-0.0 -0.929 51.1 -94.3-152.0 175.6 35.0 25.8 79.7 35 35 A I S S- 0 0 119 -2,-0.3 2,-0.3 43,-0.1 42,-0.1 0.780 90.2 -9.2 -73.8 -33.1 37.8 25.3 82.2 36 36 A N S > S- 0 0 69 40,-0.1 4,-2.0 1,-0.0 3,-0.3 -0.921 76.5 -85.8-154.7 179.8 36.7 27.1 85.4 37 37 A T H > S+ 0 0 84 -2,-0.3 4,-2.4 1,-0.2 5,-0.1 0.785 122.8 55.6 -67.2 -28.2 34.1 29.5 86.8 38 38 A D H > S+ 0 0 114 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.876 108.2 47.7 -70.4 -36.4 36.0 32.5 85.7 39 39 A A H > S+ 0 0 20 -3,-0.3 4,-2.2 2,-0.2 -2,-0.2 0.881 112.5 51.0 -68.3 -35.7 36.0 31.3 82.1 40 40 A L H X S+ 0 0 17 -4,-2.0 4,-2.5 2,-0.2 -2,-0.2 0.892 106.5 53.1 -68.8 -40.6 32.3 30.6 82.5 41 41 A D H X S+ 0 0 101 -4,-2.4 4,-1.8 1,-0.2 -1,-0.2 0.927 111.0 47.0 -57.8 -43.6 31.7 34.1 83.8 42 42 A A H X S+ 0 0 38 -4,-1.8 4,-2.0 1,-0.2 -2,-0.2 0.871 108.7 55.5 -69.0 -35.1 33.4 35.5 80.7 43 43 A A H X S+ 0 0 0 -4,-2.2 4,-2.8 2,-0.2 -1,-0.2 0.934 104.8 53.0 -57.5 -47.2 31.4 33.1 78.5 44 44 A K H X S+ 0 0 107 -4,-2.5 4,-2.4 1,-0.2 -2,-0.2 0.917 106.5 53.2 -58.0 -43.1 28.2 34.5 80.0 45 45 A K H X S+ 0 0 144 -4,-1.8 4,-2.2 1,-0.2 -1,-0.2 0.909 110.0 47.5 -56.9 -44.9 29.4 38.0 79.1 46 46 A R H X S+ 0 0 97 -4,-2.0 4,-3.1 2,-0.2 -1,-0.2 0.923 109.6 52.9 -61.7 -44.9 29.9 37.0 75.5 47 47 A F H X S+ 0 0 0 -4,-2.8 4,-2.7 1,-0.2 -2,-0.2 0.889 109.1 49.5 -59.8 -38.3 26.5 35.3 75.3 48 48 A E H X S+ 0 0 72 -4,-2.4 4,-1.9 -5,-0.2 -1,-0.2 0.895 110.8 50.7 -68.4 -37.9 25.0 38.6 76.5 49 49 A G H X S+ 0 0 37 -4,-2.2 4,-2.3 -5,-0.2 -2,-0.2 0.953 111.7 46.6 -58.0 -51.2 26.9 40.4 73.9 50 50 A L H X S+ 0 0 17 -4,-3.1 4,-3.3 1,-0.2 5,-0.2 0.899 107.5 57.3 -57.5 -44.2 25.7 38.0 71.2 51 51 A A H X S+ 0 0 0 -4,-2.7 4,-2.3 1,-0.2 -1,-0.2 0.918 108.2 47.3 -54.3 -45.3 22.1 38.2 72.4 52 52 A A H X S+ 0 0 45 -4,-1.9 4,-1.3 2,-0.2 -1,-0.2 0.948 112.2 49.7 -62.0 -48.4 22.3 42.0 71.9 53 53 A V H >X S+ 0 0 50 -4,-2.3 4,-2.5 1,-0.2 3,-0.6 0.927 110.2 51.2 -54.2 -49.6 23.8 41.5 68.4 54 54 A Y H 3X S+ 0 0 0 -4,-3.3 4,-2.7 1,-0.2 7,-0.3 0.923 103.7 56.2 -57.4 -46.2 21.1 39.0 67.5 55 55 A E H 3< S+ 0 0 61 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.837 118.5 34.5 -62.4 -24.7 18.2 41.2 68.5 56 56 A K H << S+ 0 0 168 -4,-1.3 -1,-0.2 -3,-0.6 -2,-0.2 0.779 133.4 24.3 -93.0 -28.5 19.5 44.0 66.1 57 57 A E H < S+ 0 0 138 -4,-2.5 2,-0.5 -5,-0.2 -3,-0.2 0.698 102.1 77.5-112.8 -25.3 20.9 41.8 63.3 58 58 A V S >< S- 0 0 26 -4,-2.7 3,-2.0 -5,-0.3 4,-0.3 -0.800 76.3-114.3-109.2 129.9 19.2 38.4 63.2 59 59 A A T 3 S+ 0 0 94 -2,-0.5 -2,-0.1 1,-0.3 -1,-0.1 -0.230 100.6 11.7 -52.4 131.3 15.8 37.5 61.8 60 60 A G T 3 S+ 0 0 66 -5,-0.1 -1,-0.3 1,-0.1 -5,-0.1 0.477 97.4 104.3 83.7 2.6 13.4 36.3 64.5 61 61 A A < > + 0 0 0 -3,-2.0 5,-2.0 -7,-0.3 6,-0.3 0.581 55.5 100.7 -94.6 -10.5 15.6 37.4 67.4 62 62 A A T > 5 + 0 0 47 -4,-0.3 3,-1.5 3,-0.2 -6,-0.1 -0.089 66.3 35.7 -70.4 169.6 13.6 40.4 68.4 63 63 A D T 3 5S- 0 0 171 1,-0.3 -1,-0.2 2,-0.1 -8,-0.0 0.880 136.2 -45.4 57.9 46.1 11.1 40.8 71.3 64 64 A G T 3>5S+ 0 0 40 -3,-0.2 4,-2.3 1,-0.1 -1,-0.3 0.321 108.1 114.6 88.2 -9.8 12.8 38.6 73.8 65 65 A A H <>5S+ 0 0 38 -3,-1.5 4,-1.7 1,-0.2 -3,-0.2 0.902 81.3 45.1 -63.7 -40.4 13.6 35.7 71.5 66 66 A A H > S+ 0 0 80 -6,-0.3 4,-3.1 2,-0.2 -2,-0.2 0.881 107.2 53.5 -63.7 -36.6 17.2 36.7 75.6 68 68 A K H X S+ 0 0 171 -4,-2.3 4,-1.2 2,-0.2 -1,-0.2 0.908 108.9 48.4 -66.3 -40.2 15.2 33.5 75.9 69 69 A A H < S+ 0 0 12 -4,-1.7 4,-0.5 2,-0.2 3,-0.4 0.930 112.1 50.6 -62.0 -44.8 17.9 31.6 74.0 70 70 A L H >< S+ 0 0 24 -4,-2.3 3,-1.7 1,-0.2 -2,-0.2 0.959 109.0 50.5 -55.5 -54.8 20.5 33.2 76.3 71 71 A G H 3< S+ 0 0 68 -4,-3.1 -1,-0.2 1,-0.3 -2,-0.2 0.724 104.9 58.4 -59.3 -23.0 18.6 32.2 79.4 72 72 A G T 3< S+ 0 0 54 -4,-1.2 -1,-0.3 -3,-0.4 2,-0.2 0.563 80.5 106.3 -87.0 -7.2 18.3 28.6 78.3 73 73 A I < - 0 0 11 -3,-1.7 2,-0.4 -4,-0.5 -42,-0.2 -0.474 59.6-144.0 -75.9 138.9 22.0 27.9 78.0 74 74 A R E -c 31 0A 120 -44,-2.8 -42,-3.7 -2,-0.2 2,-0.4 -0.841 7.4-149.4-104.7 144.0 23.7 25.7 80.6 75 75 A Y E +c 32 0A 69 -2,-0.4 2,-0.3 -44,-0.2 -42,-0.2 -0.874 19.5 171.6-109.1 141.5 27.3 26.3 81.8 76 76 A S E -c 33 0A 15 -44,-2.1 -42,-1.8 -2,-0.4 -40,-0.1 -0.991 28.3-176.7-150.1 141.0 29.6 23.6 83.1 77 77 A D S S+ 0 0 68 -2,-0.3 2,-0.5 -44,-0.2 3,-0.1 0.060 73.4 84.8-120.1 22.0 33.3 23.3 84.0 78 78 A D > - 0 0 79 1,-0.1 4,-2.5 -42,-0.1 3,-0.2 -0.932 64.5-160.7-124.4 101.6 33.1 19.6 84.6 79 79 A L H > S+ 0 0 12 -2,-0.5 4,-1.8 1,-0.2 -1,-0.1 0.844 89.3 55.8 -54.6 -40.8 33.6 17.8 81.3 80 80 A A H 4 S+ 0 0 35 1,-0.2 4,-0.4 2,-0.2 3,-0.4 0.951 114.6 38.5 -57.3 -52.7 32.0 14.5 82.5 81 81 A Q H >4 S+ 0 0 92 -3,-0.2 3,-0.6 1,-0.2 4,-0.3 0.823 111.8 61.4 -64.5 -32.8 28.8 16.4 83.6 82 82 A A H 3< S+ 0 0 3 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.826 116.2 27.7 -67.9 -32.4 29.0 18.6 80.5 83 83 A V T >< S+ 0 0 0 -4,-1.8 3,-1.4 -3,-0.4 -1,-0.2 0.256 85.0 114.1-113.7 11.6 28.7 15.7 77.9 84 84 A K T < S+ 0 0 125 -3,-0.6 -1,-0.1 -4,-0.4 -2,-0.1 0.804 96.0 17.1 -59.4 -35.2 26.8 13.2 80.0 85 85 A D T 3 S+ 0 0 92 -4,-0.3 -1,-0.3 -3,-0.2 -79,-0.2 0.054 94.4 146.4-122.8 26.4 23.7 13.3 77.8 86 86 A A < - 0 0 2 -3,-1.4 -79,-0.2 1,-0.2 3,-0.1 -0.444 30.7-177.2 -72.8 129.2 25.3 14.9 74.7 87 87 A D S S+ 0 0 24 -81,-2.5 29,-2.2 1,-0.3 2,-0.4 0.776 81.2 16.7 -84.3 -37.0 24.1 14.0 71.2 88 88 A L E -bd 7 116A 0 -82,-1.9 -80,-2.4 27,-0.2 2,-0.5 -1.000 64.2-160.8-139.9 137.1 26.7 16.2 69.7 89 89 A V E -bd 8 117A 1 27,-2.7 29,-2.4 -2,-0.4 2,-0.6 -0.979 6.2-162.1-118.5 126.0 29.9 17.8 70.9 90 90 A I E -bd 9 118A 0 -82,-2.6 -80,-2.9 -2,-0.5 2,-0.6 -0.937 11.3-152.3-108.6 120.8 31.4 20.8 69.1 91 91 A E E +bd 10 119A 1 27,-3.3 29,-2.6 -2,-0.6 30,-0.2 -0.827 30.3 156.2-102.2 116.6 35.0 21.4 70.0 92 92 A A + 0 0 19 -82,-2.4 -79,-0.4 -2,-0.6 -76,-0.3 -0.404 24.5 145.3-131.9 54.4 36.4 24.9 69.7 93 93 A V - 0 0 16 1,-0.2 27,-0.1 -82,-0.1 3,-0.1 -0.432 63.5 -61.6 -82.7 167.8 39.3 24.7 72.2 94 94 A P - 0 0 82 0, 0.0 2,-1.8 0, 0.0 -1,-0.2 -0.051 58.9 -98.9 -50.4 151.3 42.5 26.7 71.4 95 95 A E S S+ 0 0 81 -3,-0.1 2,-0.3 4,-0.1 -3,-0.0 -0.576 79.7 126.4 -78.4 88.0 44.4 25.8 68.3 96 96 A S > - 0 0 45 -2,-1.8 4,-2.6 1,-0.1 5,-0.3 -0.906 55.3-149.2-152.6 111.7 46.9 23.6 70.0 97 97 A L H > S+ 0 0 73 -2,-0.3 4,-1.7 1,-0.2 5,-0.1 0.860 102.7 46.5 -50.3 -41.5 47.7 20.0 69.1 98 98 A D H > S+ 0 0 105 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.913 112.8 47.8 -70.4 -43.0 48.6 19.2 72.7 99 99 A L H > S+ 0 0 66 1,-0.2 4,-1.7 2,-0.2 -2,-0.2 0.827 115.3 44.8 -72.5 -31.7 45.5 20.9 74.2 100 100 A K H X S+ 0 0 2 -4,-2.6 4,-2.6 2,-0.2 -1,-0.2 0.799 110.2 55.7 -78.4 -31.5 43.2 19.2 71.7 101 101 A R H X S+ 0 0 79 -4,-1.7 4,-2.0 -5,-0.3 5,-0.2 0.960 109.1 46.9 -61.3 -52.9 44.9 15.8 72.2 102 102 A D H X S+ 0 0 71 -4,-2.4 4,-1.7 1,-0.2 5,-0.2 0.943 112.9 51.0 -51.5 -54.9 44.3 16.1 76.0 103 103 A I H X S+ 0 0 16 -4,-1.7 4,-2.6 1,-0.2 -2,-0.2 0.911 110.0 46.0 -49.7 -56.5 40.6 17.1 75.3 104 104 A Y H X S+ 0 0 0 -4,-2.6 4,-3.4 2,-0.2 5,-0.2 0.865 107.5 54.7 -65.8 -39.7 39.7 14.2 73.0 105 105 A T H X S+ 0 0 60 -4,-2.0 4,-1.4 2,-0.2 -1,-0.2 0.961 115.4 40.9 -57.9 -49.0 41.2 11.3 75.0 106 106 A K H X S+ 0 0 108 -4,-1.7 4,-2.6 -5,-0.2 -2,-0.2 0.913 115.8 51.1 -61.4 -44.3 39.2 12.4 78.0 107 107 A L H X S+ 0 0 1 -4,-2.6 4,-2.5 1,-0.2 -2,-0.2 0.886 105.1 55.8 -64.6 -41.5 36.1 13.2 75.9 108 108 A G H < S+ 0 0 18 -4,-3.4 -1,-0.2 24,-0.3 -2,-0.2 0.873 114.4 41.0 -56.3 -37.5 36.3 9.7 74.2 109 109 A E H < S+ 0 0 166 -4,-1.4 -2,-0.2 -5,-0.2 -1,-0.2 0.868 120.3 41.1 -77.5 -39.5 36.2 8.2 77.7 110 110 A L H < S+ 0 0 78 -4,-2.6 -2,-0.2 -5,-0.1 -3,-0.2 0.762 95.2 84.3 -87.0 -27.6 33.5 10.5 79.3 111 111 A A S < S- 0 0 5 -4,-2.5 -27,-0.1 -5,-0.2 -31,-0.1 -0.583 85.6-107.1 -83.9 136.6 31.0 10.9 76.5 112 112 A P > - 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0 0 79 -2,-0.3 4,-2.3 -3,-0.1 5,-0.2 -0.354 41.9-102.1 -80.9 161.9 49.4 49.9 44.7 215 215 A P H > S+ 0 0 11 0, 0.0 4,-3.0 0, 0.0 18,-0.3 0.875 119.1 52.9 -48.2 -48.9 46.5 48.5 46.8 216 216 A E H > S+ 0 0 86 1,-0.2 4,-3.2 2,-0.2 5,-0.3 0.922 110.7 47.3 -56.2 -50.3 43.8 50.6 45.2 217 217 A T H > S+ 0 0 52 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.928 113.3 47.5 -56.8 -49.8 44.8 49.6 41.7 218 218 A I H X S+ 0 0 13 -4,-2.3 4,-1.6 1,-0.2 -2,-0.2 0.915 114.6 47.8 -61.1 -43.2 44.9 45.9 42.6 219 219 A D H X S+ 0 0 0 -4,-3.0 4,-2.5 -5,-0.2 -2,-0.2 0.942 111.9 46.6 -65.2 -48.1 41.6 46.2 44.3 220 220 A K H X S+ 0 0 107 -4,-3.2 4,-2.7 1,-0.2 5,-0.3 0.869 109.2 57.0 -64.9 -32.0 39.8 48.1 41.5 221 221 A T H X S+ 0 0 90 -4,-2.3 4,-2.2 -5,-0.3 -1,-0.2 0.898 110.3 44.1 -62.7 -39.7 41.2 45.6 39.0 222 222 A W H X S+ 0 0 89 -4,-1.6 4,-2.3 2,-0.2 6,-0.7 0.929 114.6 47.3 -71.9 -45.4 39.6 42.7 40.9 223 223 A R H X S+ 0 0 83 -4,-2.5 4,-1.9 2,-0.2 -2,-0.2 0.944 119.3 40.0 -62.0 -45.7 36.2 44.4 41.5 224 224 A I H < S+ 0 0 137 -4,-2.7 -1,-0.2 -5,-0.2 -2,-0.2 0.908 118.4 47.4 -69.1 -42.9 35.9 45.5 37.8 225 225 A G H < S+ 0 0 64 -4,-2.2 -1,-0.2 -5,-0.3 -2,-0.2 0.798 130.4 18.2 -73.2 -30.5 37.3 42.3 36.4 226 226 A T H < S- 0 0 76 -4,-2.3 -2,-0.2 -5,-0.2 -1,-0.2 0.520 96.9-121.4-115.5 -11.0 35.3 39.9 38.4 227 227 A G < + 0 0 63 -4,-1.9 -4,-0.2 -5,-0.4 -3,-0.2 0.582 57.1 157.1 76.6 9.0 32.4 42.1 39.6 228 228 A A - 0 0 26 -6,-0.7 -1,-0.2 1,-0.1 -2,-0.1 -0.348 47.3-132.5 -66.2 148.8 33.4 41.2 43.2 229 229 A P S S+ 0 0 114 0, 0.0 2,-0.4 0, 0.0 -1,-0.1 0.795 88.1 34.6 -72.4 -29.3 32.2 43.8 45.9 230 230 A K S S- 0 0 97 -8,-0.1 -2,-0.0 -7,-0.1 -10,-0.0 -0.988 73.9-136.9-134.3 138.4 35.7 43.9 47.6 231 231 A G > - 0 0 0 -2,-0.4 4,-2.1 -3,-0.1 3,-0.3 -0.297 41.1 -90.3 -81.4 171.1 39.3 43.7 46.4 232 232 A P H > S+ 0 0 3 0, 0.0 4,-2.8 0, 0.0 5,-0.1 0.878 124.8 47.4 -50.6 -44.7 42.1 41.7 48.0 233 233 A F H > S+ 0 0 0 -18,-0.3 4,-2.2 2,-0.2 47,-0.3 0.862 108.3 53.4 -75.2 -30.6 43.3 44.5 50.3 234 234 A E H > S+ 0 0 35 -3,-0.3 4,-1.5 2,-0.2 -1,-0.2 0.885 111.0 50.1 -60.8 -37.1 39.8 45.4 51.4 235 235 A I H X S+ 0 0 34 -4,-2.1 4,-3.0 2,-0.2 5,-0.3 0.932 105.3 55.1 -69.0 -43.5 39.6 41.7 52.3 236 236 A F H X S+ 0 0 8 -4,-2.8 4,-2.7 1,-0.2 8,-0.2 0.930 106.9 51.7 -50.6 -47.1 42.9 41.9 54.2 237 237 A D H < S+ 0 0 1 -4,-2.2 37,-2.4 1,-0.2 38,-0.5 0.869 111.1 47.3 -60.0 -36.5 41.5 44.7 56.3 238 238 A I H < S+ 0 0 85 -4,-1.5 -2,-0.2 -3,-0.2 -1,-0.2 0.918 113.0 47.7 -70.2 -45.0 38.4 42.6 57.1 239 239 A V H < S- 0 0 62 -4,-3.0 -2,-0.2 -5,-0.1 4,-0.2 0.872 119.7-115.0 -61.9 -36.2 40.5 39.6 58.0 240 240 A G X - 0 0 16 -4,-2.7 4,-2.4 -5,-0.3 3,-0.3 0.323 8.3-114.4 100.9 125.7 42.7 41.8 60.1 241 241 A L H > S+ 0 0 0 31,-2.6 4,-2.1 1,-0.2 5,-0.1 0.743 113.4 60.3 -69.2 -21.0 46.4 42.6 59.4 242 242 A T H > S+ 0 0 63 30,-0.5 4,-2.5 2,-0.2 -1,-0.2 0.943 109.0 43.2 -67.7 -46.0 47.5 40.8 62.6 243 243 A T H > S+ 0 0 65 -3,-0.3 4,-2.4 1,-0.2 5,-0.3 0.941 113.2 51.8 -61.8 -48.1 46.0 37.6 61.3 244 244 A A H X S+ 0 0 4 -4,-2.4 4,-2.8 1,-0.2 -1,-0.2 0.881 110.1 50.5 -58.2 -38.9 47.4 38.1 57.8 245 245 A Y H X S+ 0 0 68 -4,-2.1 4,-2.3 2,-0.2 -1,-0.2 0.946 107.8 51.9 -64.3 -48.7 50.8 38.7 59.3 246 246 A N H < S+ 0 0 92 -4,-2.5 4,-0.5 1,-0.2 3,-0.2 0.960 116.0 40.5 -51.0 -55.6 50.7 35.5 61.4 247 247 A I H >< S+ 0 0 93 -4,-2.4 3,-1.3 1,-0.2 -1,-0.2 0.912 114.3 51.7 -62.0 -46.2 49.8 33.4 58.3 248 248 A S H >< S+ 0 0 5 -4,-2.8 3,-1.0 -5,-0.3 -1,-0.2 0.834 103.6 60.1 -59.4 -32.8 52.2 35.2 55.9 249 249 A S T 3< S+ 0 0 34 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.591 102.4 51.0 -78.3 -10.9 55.1 34.8 58.3 250 250 A V T < S+ 0 0 109 -3,-1.3 -1,-0.3 -4,-0.5 2,-0.2 -0.078 101.3 73.2-116.4 34.3 54.9 31.0 58.2 251 251 A S S < S- 0 0 33 -3,-1.0 5,-0.3 1,-0.3 -3,-0.0 -0.703 90.3 -38.9-133.0-173.4 54.9 30.4 54.5 252 252 A G > - 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