==== 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 26-MAY-05 2CUK . COMPND 2 MOLECULE: GLYCERATE DEHYDROGENASE/GLYOXYLATE REDUCTASE; . SOURCE 2 ORGANISM_SCIENTIFIC: THERMUS THERMOPHILUS; . AUTHOR N.K.LOKANATH,N.KUNISHIMA,RIKEN STRUCTURAL GENOMICS/PROTEOMIC . 1244 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 47470.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 894 71.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 196 15.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 8 0.6 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 . 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 . 4 0.3 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 . 114 9.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 140 11.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 328 26.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 28 2.3 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 5 5 6 5 4 3 0 4 0 0 0 4 0 0 4 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 16 4 12 16 4 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 . 4 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 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 0 4 4 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 0 133 0, 0.0 22,-2.6 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 125.5 50.4 -1.0 69.0 2 2 A R E -a 23 0A 48 41,-0.5 43,-2.2 20,-0.2 44,-1.4 -0.880 360.0-157.1-113.4 142.5 50.7 0.6 72.4 3 3 A V E -ab 24 46A 0 20,-3.2 22,-3.1 -2,-0.4 2,-0.5 -0.961 7.6-148.9-119.0 133.7 48.3 2.9 74.1 4 4 A L E -ab 25 47A 1 42,-2.4 44,-2.8 -2,-0.4 2,-0.6 -0.903 9.4-171.7-107.6 124.2 49.2 5.3 77.0 5 5 A V E -ab 26 48A 1 20,-2.9 22,-2.5 -2,-0.5 42,-0.0 -0.966 14.9-151.4-114.0 114.8 46.7 6.2 79.6 6 6 A T S S+ 0 0 0 42,-1.7 2,-0.3 -2,-0.6 -1,-0.1 0.589 75.9 24.0 -63.7 -13.9 48.1 9.0 81.9 7 7 A R S S- 0 0 6 41,-0.4 21,-0.2 42,-0.0 2,-0.2 -0.987 88.7 -94.7-149.6 156.8 46.1 7.9 84.9 8 8 A T - 0 0 30 19,-0.4 751,-0.2 -2,-0.3 -2,-0.0 -0.493 43.8-149.5 -71.6 141.8 44.4 4.8 86.4 9 9 A L - 0 0 20 -2,-0.2 2,-0.2 2,-0.1 5,-0.1 -0.865 11.9-114.3-117.8 150.1 40.7 4.7 85.5 10 10 A P S S+ 0 0 3 0, 0.0 3,-0.4 0, 0.0 280,-0.2 -0.502 79.9 19.1 -79.0 148.3 37.7 3.2 87.3 11 11 A G S S- 0 0 42 1,-0.2 3,-0.2 -2,-0.2 -2,-0.1 -0.243 94.6 -81.6 86.2-179.1 35.9 0.2 85.8 12 12 A K S > S+ 0 0 157 1,-0.1 3,-1.6 2,-0.1 4,-0.4 0.019 79.7 124.3-115.4 27.7 37.1 -2.2 83.1 13 13 A A T > S+ 0 0 20 -3,-0.4 3,-1.3 1,-0.3 4,-0.4 0.834 72.0 62.3 -55.2 -33.2 36.5 -0.1 80.0 14 14 A L T >> S+ 0 0 13 1,-0.3 4,-1.6 -3,-0.2 3,-1.3 0.787 83.5 76.8 -64.5 -27.9 40.2 -0.5 79.1 15 15 A D H <> S+ 0 0 49 -3,-1.6 4,-2.8 1,-0.3 -1,-0.3 0.787 85.0 64.9 -53.7 -28.6 39.8 -4.3 78.9 16 16 A R H <> S+ 0 0 99 -3,-1.3 4,-0.7 -4,-0.4 -1,-0.3 0.910 101.9 47.9 -61.8 -41.2 38.2 -3.7 75.5 17 17 A L H X4>S+ 0 0 0 -3,-1.3 5,-1.9 -4,-0.4 3,-0.7 0.902 112.0 49.0 -64.4 -44.7 41.5 -2.4 74.2 18 18 A R H ><5S+ 0 0 113 -4,-1.6 3,-1.9 1,-0.2 -2,-0.2 0.892 105.9 57.6 -61.5 -40.6 43.4 -5.4 75.7 19 19 A E H 3<5S+ 0 0 154 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.734 101.7 58.2 -57.8 -24.5 40.8 -7.7 74.0 20 20 A R T <<5S- 0 0 147 -4,-0.7 -1,-0.3 -3,-0.7 -2,-0.2 0.283 123.3-104.0 -93.9 11.5 41.8 -6.1 70.7 21 21 A G T < 5S+ 0 0 69 -3,-1.9 2,-0.2 1,-0.3 -3,-0.2 0.494 75.4 142.9 81.8 2.2 45.5 -7.1 71.1 22 22 A L < - 0 0 20 -5,-1.9 2,-0.7 -6,-0.2 -1,-0.3 -0.521 52.8-125.7 -77.8 142.5 46.5 -3.5 72.1 23 23 A E E -a 2 0A 136 -22,-2.6 -20,-3.2 -2,-0.2 2,-0.6 -0.791 26.0-156.0 -90.7 116.8 49.1 -3.0 74.7 24 24 A V E -a 3 0A 31 -2,-0.7 2,-0.7 -22,-0.2 -20,-0.2 -0.836 9.7-168.7-101.6 117.7 47.8 -0.8 77.4 25 25 A E E -a 4 0A 51 -22,-3.1 -20,-2.9 -2,-0.6 2,-0.6 -0.894 7.8-171.0-103.5 114.8 50.2 1.2 79.6 26 26 A V E -a 5 0A 37 -2,-0.7 2,-0.4 -22,-0.2 -20,-0.2 -0.916 15.7-139.5-112.7 120.2 48.5 2.7 82.6 27 27 A H - 0 0 8 -22,-2.5 -19,-0.4 -2,-0.6 2,-0.3 -0.613 17.8-148.1 -80.5 123.9 50.4 5.2 84.7 28 28 A R + 0 0 205 -2,-0.4 3,-0.2 -21,-0.2 2,-0.1 -0.633 49.7 41.7 -91.8 148.3 49.8 4.9 88.5 29 29 A G S S- 0 0 42 -2,-0.3 -21,-0.3 1,-0.1 -2,-0.0 -0.409 87.0 -78.7 114.6 174.0 49.8 7.7 91.0 30 30 A L S S+ 0 0 55 -2,-0.1 2,-0.3 -23,-0.1 -1,-0.1 0.650 105.3 50.6 -87.9 -19.7 48.7 11.3 91.5 31 31 A F - 0 0 121 -3,-0.2 724,-0.0 724,-0.1 -1,-0.0 -0.914 49.0-176.0-126.8 151.9 51.4 12.9 89.4 32 32 A L - 0 0 18 -2,-0.3 5,-0.1 20,-0.2 -3,-0.0 -0.734 24.5-144.4-144.0 87.3 53.0 12.5 85.9 33 33 A P >> - 0 0 76 0, 0.0 4,-1.9 0, 0.0 3,-1.0 -0.220 22.5-120.0 -52.9 139.2 56.0 14.8 85.3 34 34 A K H 3> S+ 0 0 85 1,-0.3 4,-2.4 2,-0.2 5,-0.2 0.811 114.7 61.6 -52.0 -30.6 56.2 16.1 81.8 35 35 A A H 3> S+ 0 0 77 1,-0.2 4,-1.3 2,-0.2 -1,-0.3 0.912 107.0 42.3 -63.5 -42.9 59.6 14.4 81.6 36 36 A E H <> S+ 0 0 64 -3,-1.0 4,-1.9 2,-0.2 -1,-0.2 0.781 111.1 56.1 -74.9 -27.7 58.1 11.0 82.3 37 37 A L H X S+ 0 0 3 -4,-1.9 4,-2.2 2,-0.2 5,-0.2 0.937 106.2 50.4 -67.7 -45.6 55.2 11.7 79.9 38 38 A L H X S+ 0 0 17 -4,-2.4 4,-1.1 1,-0.2 -2,-0.2 0.860 111.6 48.9 -59.0 -37.7 57.6 12.4 77.1 39 39 A K H < S+ 0 0 138 -4,-1.3 -1,-0.2 1,-0.2 -2,-0.2 0.881 116.8 40.3 -69.4 -40.7 59.4 9.1 77.8 40 40 A R H < S+ 0 0 51 -4,-1.9 -2,-0.2 1,-0.2 -1,-0.2 0.659 110.1 59.2 -79.0 -27.6 56.2 7.0 77.9 41 41 A V H >< S+ 0 0 0 -4,-2.2 3,-2.0 -5,-0.2 2,-0.2 0.817 78.6 97.7 -79.5 -30.6 54.5 8.7 74.9 42 42 A E T 3< S+ 0 0 76 -4,-1.1 21,-0.2 1,-0.3 3,-0.1 -0.409 93.8 17.2 -62.2 125.7 57.2 8.0 72.3 43 43 A G T 3 S+ 0 0 50 1,-0.3 -41,-0.5 21,-0.2 2,-0.3 0.256 94.4 128.5 96.9 -11.9 56.2 4.9 70.3 44 44 A A < - 0 0 0 -3,-2.0 -1,-0.3 1,-0.1 -41,-0.2 -0.593 42.6-166.1 -82.4 137.2 52.5 5.1 71.4 45 45 A V S S+ 0 0 16 -43,-2.2 22,-2.5 -2,-0.3 23,-1.1 0.698 76.9 34.9 -91.6 -22.6 49.8 5.0 68.7 46 46 A G E -bc 3 68A 0 -44,-1.4 -42,-2.4 21,-0.2 2,-0.4 -0.973 64.1-167.6-134.9 148.9 47.0 6.1 71.1 47 47 A L E -bc 4 69A 0 21,-1.9 23,-2.5 -2,-0.3 -42,-0.2 -0.996 10.5-172.5-140.5 133.7 46.8 8.4 74.1 48 48 A I E +b 5 0A 1 -44,-2.8 -42,-1.7 -2,-0.4 -41,-0.4 -0.877 25.4 173.7-124.2 95.0 44.2 9.0 76.8 49 49 A P - 0 0 0 0, 0.0 23,-2.3 0, 0.0 2,-0.2 -0.347 20.8-135.6 -94.6 177.9 45.2 12.0 78.9 50 50 A T > - 0 0 1 21,-0.2 3,-1.9 -2,-0.1 23,-0.1 -0.707 38.6 -91.4-124.2 175.1 43.4 14.0 81.7 51 51 A V T 3 S+ 0 0 53 21,-0.4 22,-0.1 1,-0.3 20,-0.0 0.673 123.3 64.0 -63.3 -16.1 43.0 17.7 82.4 52 52 A E T 3 S+ 0 0 85 704,-0.1 2,-0.5 2,-0.1 -1,-0.3 0.454 88.2 82.8 -87.0 -2.4 46.3 17.5 84.4 53 53 A D S < S- 0 0 4 -3,-1.9 2,-0.9 2,-0.0 25,-0.0 -0.919 72.3-143.0-109.9 122.1 48.4 16.5 81.4 54 54 A R - 0 0 147 -2,-0.5 2,-1.1 1,-0.1 25,-0.2 -0.688 15.8-169.3 -82.2 104.4 49.7 19.2 79.1 55 55 A I B +f 79 0B 0 23,-2.3 25,-2.2 -2,-0.9 2,-0.1 -0.695 25.9 153.6 -99.1 85.2 49.5 17.8 75.6 56 56 A D > - 0 0 37 -2,-1.1 4,-2.0 23,-0.2 5,-0.1 -0.297 61.7 -81.6-100.5-173.6 51.5 20.3 73.5 57 57 A A H > S+ 0 0 28 1,-0.2 4,-3.2 2,-0.2 5,-0.3 0.883 125.5 57.9 -57.4 -41.7 53.4 20.1 70.2 58 58 A E H > S+ 0 0 94 1,-0.2 4,-2.8 2,-0.2 -1,-0.2 0.939 107.2 46.5 -55.7 -50.5 56.5 18.8 72.0 59 59 A V H > S+ 0 0 0 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.900 113.8 50.0 -58.8 -41.9 54.6 15.8 73.4 60 60 A M H < S+ 0 0 5 -4,-2.0 6,-0.3 2,-0.2 -2,-0.2 0.921 112.2 45.3 -64.0 -45.9 53.1 15.2 69.9 61 61 A D H < S+ 0 0 89 -4,-3.2 3,-0.4 1,-0.2 -2,-0.2 0.902 111.2 54.0 -64.5 -40.0 56.5 15.4 68.2 62 62 A R H < S+ 0 0 97 -4,-2.8 2,-1.4 -5,-0.3 -1,-0.2 0.844 100.4 64.4 -61.2 -34.3 58.0 13.1 70.8 63 63 A A S >< S- 0 0 2 -4,-1.7 3,-2.3 -21,-0.2 2,-0.6 -0.444 79.4-169.7 -90.1 61.0 55.2 10.6 70.1 64 64 A K T 3 S+ 0 0 148 -2,-1.4 -21,-0.2 -3,-0.4 -3,-0.1 -0.348 75.9 23.1 -55.4 102.9 56.3 9.9 66.5 65 65 A G T 3 S+ 0 0 59 -2,-0.6 2,-0.3 1,-0.3 -1,-0.3 0.498 79.6 155.1 116.1 7.7 53.3 8.0 65.2 66 66 A L < + 0 0 11 -3,-2.3 -1,-0.3 -6,-0.3 -21,-0.2 -0.519 14.4 177.6 -69.4 128.9 50.5 9.1 67.5 67 67 A K + 0 0 79 -22,-2.5 23,-2.6 1,-0.3 2,-0.3 0.742 58.9 18.8-103.8 -31.4 47.2 8.7 65.7 68 68 A V E -cd 46 90A 0 -23,-1.1 -21,-1.9 21,-0.2 2,-0.6 -0.997 45.9-158.4-149.8 142.6 44.6 9.8 68.3 69 69 A I E -cd 47 91A 0 21,-2.9 23,-2.4 -2,-0.3 2,-1.1 -0.919 18.4-170.4-116.5 97.4 44.3 11.7 71.5 70 70 A A E - d 0 92A 0 -23,-2.5 23,-0.2 -2,-0.6 2,-0.1 -0.779 18.7-143.6 -93.8 95.6 41.1 10.5 73.2 71 71 A C - 0 0 0 21,-2.3 2,-1.4 -2,-1.1 -21,-0.2 -0.328 10.2-142.6 -63.8 134.7 40.6 12.9 76.1 72 72 A Y S S+ 0 0 0 -23,-2.3 -21,-0.4 21,-0.1 2,-0.3 -0.597 81.9 51.6 -94.0 67.9 39.2 11.6 79.4 73 73 A S S S- 0 0 8 -2,-1.4 21,-2.3 216,-0.1 -2,-0.1 -0.923 81.9-117.7 175.0 166.5 37.2 14.9 79.8 74 74 A V S S+ 0 0 64 -2,-0.3 2,-0.1 19,-0.2 -1,-0.1 0.828 96.0 69.3 -89.3 -39.3 34.8 17.2 78.0 75 75 A G - 0 0 28 19,-0.1 19,-0.1 1,-0.1 3,-0.0 -0.449 55.8-176.1 -78.4 154.0 37.1 20.2 78.0 76 76 A V > + 0 0 23 -2,-0.1 3,-1.8 17,-0.1 5,-0.2 0.071 43.4 120.4-138.3 25.4 40.2 20.2 75.9 77 77 A D T 3 S+ 0 0 111 1,-0.3 -1,-0.0 3,-0.1 4,-0.0 0.634 72.6 64.2 -67.1 -12.9 42.0 23.4 76.7 78 78 A H T 3 S+ 0 0 13 2,-0.1 -23,-2.3 -24,-0.0 2,-0.5 0.373 92.4 75.7 -91.4 3.7 45.0 21.4 77.8 79 79 A V B < S-f 55 0B 8 -3,-1.8 2,-1.5 -25,-0.2 -23,-0.2 -0.969 81.2-131.1-121.5 124.3 45.6 20.1 74.3 80 80 A D > - 0 0 73 -25,-2.2 4,-1.7 -2,-0.5 5,-0.1 -0.576 29.0-175.1 -71.4 94.0 47.1 22.2 71.5 81 81 A L H > S+ 0 0 43 -2,-1.5 4,-2.6 1,-0.2 -1,-0.2 0.885 78.6 50.2 -61.4 -42.7 44.4 21.3 69.0 82 82 A E H > S+ 0 0 97 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.853 107.5 54.8 -66.4 -34.0 46.1 23.1 66.0 83 83 A A H 4 S+ 0 0 4 2,-0.2 4,-0.4 1,-0.2 -1,-0.2 0.905 111.2 45.3 -64.9 -40.2 49.4 21.3 66.8 84 84 A A H ><>S+ 0 0 0 -4,-1.7 5,-2.7 2,-0.2 3,-1.1 0.918 111.8 51.6 -68.1 -44.4 47.5 18.0 66.5 85 85 A R H ><5S+ 0 0 118 -4,-2.6 3,-2.1 1,-0.3 -2,-0.2 0.941 106.6 53.6 -56.6 -50.1 45.7 19.0 63.4 86 86 A E T 3<5S+ 0 0 146 -4,-2.7 -1,-0.3 1,-0.3 -2,-0.2 0.629 112.6 46.4 -61.0 -14.4 49.0 20.1 61.7 87 87 A R T < 5S- 0 0 90 -3,-1.1 -1,-0.3 -4,-0.4 -2,-0.2 0.272 115.0-113.1-112.1 8.6 50.2 16.6 62.5 88 88 A G T < 5 + 0 0 62 -3,-2.1 2,-0.4 1,-0.2 -3,-0.2 0.804 66.4 146.8 65.3 29.9 47.2 14.6 61.4 89 89 A I < - 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0 0 37 -2,-0.7 2,-0.3 1,-0.4 -1,-0.2 0.657 63.2 -21.1-113.5 -28.5 23.8 19.3 123.3 131 131 A A - 0 0 0 769,-0.1 -1,-0.4 524,-0.0 2,-0.2 -0.977 69.5 -83.4-172.7 167.1 20.1 19.6 122.3 132 132 A W - 0 0 10 -2,-0.3 544,-0.1 -3,-0.1 769,-0.1 -0.575 48.2-179.2 -78.2 144.0 17.6 20.6 119.7 133 133 A H > - 0 0 14 -2,-0.2 3,-2.0 3,-0.1 521,-0.1 -0.984 37.4-125.6-151.3 139.7 16.8 24.3 119.7 134 134 A P T 3 S+ 0 0 0 0, 0.0 499,-0.1 0, 0.0 -1,-0.1 0.731 112.6 39.8 -53.4 -25.2 14.5 26.6 117.6 135 135 A E T > S+ 0 0 84 497,-0.2 3,-0.6 498,-0.1 2,-0.5 0.239 85.0 125.1-111.9 14.6 17.4 28.9 116.7 136 136 A L T < S- 0 0 14 -3,-2.0 -3,-0.1 1,-0.2 439,-0.0 -0.635 86.5 -19.3 -82.0 124.5 20.1 26.3 116.1 137 137 A L T 3 S- 0 0 8 -2,-0.5 -1,-0.2 1,-0.2 2,-0.2 0.850 80.1-169.5 50.6 46.1 21.9 26.4 112.7 138 138 A L < + 0 0 8 -3,-0.6 768,-0.2 768,-0.1 -1,-0.2 -0.442 10.2 175.6 -67.2 131.7 19.1 28.4 110.9 139 139 A G B -g 906 0C 2 766,-2.9 768,-2.5 -2,-0.2 2,-0.5 -0.327 35.2 -66.6-118.4-157.0 19.7 28.5 107.2 140 140 A L - 0 0 46 -26,-2.3 2,-0.3 766,-0.2 766,-0.0 -0.876 35.7-136.5-104.5 125.4 17.9 29.7 104.1 141 141 A D - 0 0 15 -2,-0.5 4,-0.1 1,-0.1 584,-0.1 -0.627 14.4-152.4 -73.2 133.7 14.6 28.2 103.0 142 142 A L > + 0 0 1 -2,-0.3 3,-2.1 582,-0.1 -1,-0.1 0.726 56.5 114.4 -82.9 -23.2 14.9 27.9 99.2 143 143 A Q T 3 S+ 0 0 53 1,-0.3 25,-0.2 25,-0.1 24,-0.2 -0.265 89.7 4.9 -55.0 121.9 11.2 28.1 98.3 144 144 A G T 3 S+ 0 0 44 23,-3.0 -1,-0.3 1,-0.3 24,-0.1 0.241 98.5 128.7 89.0 -14.7 10.5 31.3 96.3 145 145 A L < - 0 0 34 -3,-2.1 24,-3.3 1,-0.1 2,-0.5 -0.365 59.0-117.7 -73.5 156.2 14.1 32.3 96.0 146 146 A T E -h 169 0D 14 47,-0.2 49,-2.5 22,-0.2 50,-2.0 -0.844 17.8-158.1-102.8 124.5 15.6 33.1 92.7 147 147 A L E -hi 170 196D 3 22,-3.5 24,-2.4 -2,-0.5 2,-0.6 -0.868 9.1-161.3 -98.4 124.2 18.5 31.1 91.2 148 148 A G E -hi 171 197D 0 48,-3.5 50,-2.5 -2,-0.6 2,-0.4 -0.937 3.5-159.6-110.3 118.8 20.4 33.0 88.6 149 149 A L E -hi 172 198D 0 22,-2.2 24,-2.5 -2,-0.6 2,-0.9 -0.835 7.9-154.1-100.1 131.6 22.5 30.9 86.2 150 150 A V E S+hi 173 199D 0 48,-2.6 50,-2.8 -2,-0.4 24,-0.2 -0.876 80.1 16.9-104.8 98.3 25.4 32.4 84.3 151 151 A G - 0 0 6 22,-3.2 23,-0.2 -2,-0.9 50,-0.1 0.256 68.8-148.8 107.7 125.5 25.7 30.2 81.2 152 152 A M + 0 0 5 24,-0.1 49,-0.1 4,-0.1 -1,-0.1 -0.277 44.0 132.5-124.1 50.2 22.9 27.9 80.1 153 153 A G S > S- 0 0 34 47,-0.6 4,-2.1 4,-0.0 5,-0.2 0.138 81.0 -65.1 -76.8-156.9 24.5 24.9 78.5 154 154 A R H > S+ 0 0 188 2,-0.2 4,-2.2 1,-0.2 5,-0.2 0.905 137.0 48.0 -62.1 -43.5 23.5 21.3 79.4 155 155 A I H > S+ 0 0 43 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.955 111.4 49.9 -63.3 -48.5 24.8 21.5 82.9 156 156 A G H > S+ 0 0 0 44,-0.3 4,-2.3 1,-0.2 -1,-0.2 0.887 112.4 48.1 -56.8 -40.0 23.1 24.9 83.6 157 157 A Q H X S+ 0 0 65 -4,-2.1 4,-1.8 2,-0.2 -1,-0.2 0.862 110.4 51.1 -69.3 -35.9 19.8 23.5 82.2 158 158 A A H X S+ 0 0 7 -4,-2.2 4,-1.6 2,-0.2 -2,-0.2 0.878 110.6 49.9 -68.1 -36.9 20.1 20.3 84.4 159 159 A V H X S+ 0 0 3 -4,-2.6 4,-2.8 1,-0.2 -2,-0.2 0.935 108.2 52.7 -66.6 -44.3 20.7 22.5 87.4 160 160 A A H X S+ 0 0 0 -4,-2.3 4,-2.2 1,-0.2 -1,-0.2 0.880 106.2 53.9 -58.0 -41.1 17.6 24.6 86.6 161 161 A K H X S+ 0 0 120 -4,-1.8 4,-1.0 2,-0.2 -1,-0.2 0.923 111.4 44.6 -61.2 -44.6 15.5 21.5 86.4 162 162 A R H >X S+ 0 0 4 -4,-1.6 3,-0.8 1,-0.2 4,-0.7 0.935 110.3 55.5 -64.4 -45.6 16.5 20.4 89.9 163 163 A A H ><>S+ 0 0 0 -4,-2.8 5,-1.8 1,-0.3 3,-1.4 0.876 100.5 59.0 -54.9 -42.1 16.1 23.9 91.3 164 164 A L H ><5S+ 0 0 63 -4,-2.2 3,-1.5 1,-0.3 -1,-0.3 0.849 99.2 58.7 -58.1 -34.9 12.5 24.1 90.1 165 165 A A H <<5S+ 0 0 13 -4,-1.0 -1,-0.3 -3,-0.8 -2,-0.2 0.702 100.6 55.6 -68.8 -20.7 11.7 21.0 92.2 166 166 A F T <<5S- 0 0 0 -3,-1.4 -1,-0.3 -4,-0.7 -2,-0.2 0.291 125.0-102.6 -92.9 8.9 12.9 22.8 95.4 167 167 A G T < 5S+ 0 0 31 -3,-1.5 -23,-3.0 1,-0.2 -3,-0.2 0.680 74.3 145.3 80.8 17.9 10.4 25.6 94.6 168 168 A M < - 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0 0 0 -23,-2.6 2,-2.1 -2,-0.5 -778,-0.1 -0.849 36.6-108.8-107.9 147.4 19.5 43.1 139.0 1212 276 D P - 0 0 1 0, 0.0 -23,-0.1 0, 0.0 -22,-0.1 -0.309 68.0 -77.0 -74.3 58.1 16.5 41.5 140.9 1213 277 D H S S+ 0 0 50 -2,-2.1 3,-0.2 -24,-0.7 -23,-0.1 0.926 83.7 144.4 47.3 59.1 17.6 42.5 144.5 1214 278 D I > + 0 0 2 1,-0.2 3,-2.2 2,-0.1 -1,-0.1 0.104 19.8 125.9-108.8 18.2 20.3 39.8 144.7 1215 279 D G T 3 S+ 0 0 3 1,-0.3 -174,-0.4 -26,-0.2 -1,-0.2 0.857 83.8 32.6 -44.1 -46.5 22.7 41.9 146.8 1216 280 D S T 3 S+ 0 0 11 -3,-0.2 2,-2.5 1,-0.1 -1,-0.3 0.330 84.7 121.6 -96.2 9.0 23.0 39.3 149.5 1217 281 D A < + 0 0 1 -3,-2.2 -766,-3.1 -180,-0.1 2,-0.5 -0.123 29.5 131.8 -69.2 44.2 22.6 36.3 147.2 1218 282 D G B > -v 451 0I 0 -2,-2.5 4,-3.1 -768,-0.2 5,-0.3 -0.839 58.8-135.9 -92.4 133.1 25.9 34.6 148.1 1219 283 D R H > S+ 0 0 113 -768,-2.6 4,-2.3 -2,-0.5 5,-0.2 0.946 105.4 43.8 -55.7 -49.8 25.2 31.0 148.7 1220 284 D T H > S+ 0 0 91 -769,-0.3 4,-2.3 1,-0.2 -1,-0.2 0.896 114.4 52.2 -61.7 -39.4 27.4 30.9 151.8 1221 285 D T H > S+ 0 0 10 1,-0.2 4,-2.1 2,-0.2 -2,-0.2 0.954 111.2 45.0 -61.1 -51.0 25.9 34.2 152.9 1222 286 D R H X S+ 0 0 2 -4,-3.1 4,-1.4 1,-0.2 -1,-0.2 0.840 113.4 50.5 -65.0 -32.4 22.3 32.9 152.6 1223 287 D E H X S+ 0 0 57 -4,-2.3 4,-1.8 -5,-0.3 -1,-0.2 0.889 109.5 51.1 -71.7 -37.3 23.2 29.6 154.3 1224 288 D R H X S+ 0 0 125 -4,-2.3 4,-2.5 1,-0.2 -2,-0.2 0.877 106.0 55.4 -65.5 -39.0 24.8 31.5 157.2 1225 289 D M H X S+ 0 0 2 -4,-2.1 4,-2.4 1,-0.2 -1,-0.2 0.884 107.3 50.0 -60.2 -39.6 21.7 33.7 157.5 1226 290 D A H X S+ 0 0 2 -4,-1.4 4,-2.5 2,-0.2 -1,-0.2 0.883 109.5 51.9 -66.8 -38.3 19.7 30.5 157.9 1227 291 D E H X S+ 0 0 89 -4,-1.8 4,-2.4 2,-0.2 -2,-0.2 0.912 111.5 45.9 -63.9 -43.6 22.1 29.3 160.6 1228 292 D V H X S+ 0 0 19 -4,-2.5 4,-2.5 2,-0.2 -2,-0.2 0.913 112.9 49.8 -66.3 -43.3 21.8 32.5 162.6 1229 293 D A H X S+ 0 0 0 -4,-2.4 4,-2.6 2,-0.2 -2,-0.2 0.931 112.8 46.8 -61.7 -46.8 18.0 32.6 162.3 1230 294 D V H X S+ 0 0 1 -4,-2.5 4,-3.2 1,-0.2 5,-0.3 0.929 111.1 52.3 -61.1 -45.1 17.7 28.9 163.5 1231 295 D E H X S+ 0 0 53 -4,-2.4 4,-2.6 -5,-0.2 -2,-0.2 0.930 111.4 46.5 -56.3 -49.1 20.1 29.6 166.3 1232 296 D N H X S+ 0 0 0 -4,-2.5 4,-1.8 2,-0.2 -1,-0.2 0.935 114.7 46.8 -59.5 -48.8 18.1 32.6 167.5 1233 297 D L H X S+ 0 0 0 -4,-2.6 4,-2.3 1,-0.2 5,-0.2 0.961 113.2 47.9 -58.8 -54.3 14.8 30.7 167.2 1234 298 D L H X S+ 0 0 3 -4,-3.2 4,-1.1 1,-0.2 6,-0.2 0.909 106.5 59.2 -52.5 -47.2 16.1 27.6 169.1 1235 299 D A H ><>S+ 0 0 0 -4,-2.6 5,-1.3 -5,-0.3 3,-1.0 0.921 108.3 43.7 -48.8 -53.0 17.6 29.8 171.8 1236 300 D V H ><5S+ 0 0 13 -4,-1.8 3,-1.8 1,-0.3 -1,-0.2 0.927 109.9 55.2 -61.1 -46.2 14.2 31.3 172.7 1237 301 D L H 3<5S+ 0 0 28 -4,-2.3 -1,-0.3 1,-0.3 -2,-0.2 0.651 110.8 48.5 -62.7 -13.0 12.5 27.8 172.5 1238 302 D E T <<5S- 0 0 85 -4,-1.1 -1,-0.3 -3,-1.0 -2,-0.2 0.398 116.3-110.2-106.5 -0.0 15.1 26.7 175.0 1239 303 D G T < 5S+ 0 0 74 -3,-1.8 -3,-0.2 1,-0.3 -2,-0.1 0.240 79.2 129.4 89.5 -15.0 14.7 29.5 177.5 1240 304 D R < - 0 0 92 -5,-1.3 -1,-0.3 -6,-0.2 -2,-0.2 -0.331 69.1-102.9 -70.8 155.3 18.2 30.7 176.5 1241 305 D E - 0 0 127 -3,-0.1 -1,-0.1 1,-0.1 -5,-0.1 -0.663 39.3-119.1 -81.2 130.8 18.7 34.4 175.5 1242 306 D P - 0 0 4 0, 0.0 -10,-0.1 0, 0.0 -1,-0.1 -0.418 11.0-132.7 -71.0 145.6 19.0 34.8 171.7 1243 307 D P S S+ 0 0 76 0, 0.0 -2,-0.0 0, 0.0 -15,-0.0 0.794 99.7 32.9 -68.2 -30.7 22.2 36.2 170.3 1244 308 D N S S+ 0 0 43 -16,-0.2 -215,-1.9 -215,-0.1 2,-0.1 -0.445 78.8 165.1-127.8 62.9 20.5 38.7 168.0 1245 309 D P B -V 1028 0Q 52 0, 0.0 -217,-0.3 0, 0.0 -239,-0.0 -0.476 20.7-179.6 -79.0 148.7 17.3 40.0 169.6 1246 310 D V 0 0 50 -219,-4.0 -218,-0.2 1,-0.5 -220,-0.0 0.577 360.0 360.0-114.7 -28.3 15.5 43.1 168.4 1247 311 D V 0 0 33 -220,-1.7 -220,-1.5 -227,-0.0 -1,-0.5 -0.946 360.0 360.0-156.3 360.0 12.7 42.9 171.0