==== 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 ISOMERASE 10-FEB-04 1SB8 . COMPND 2 MOLECULE: WBPP; . SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOMONAS AERUGINOSA; . AUTHOR N.ISHIYAMA,C.CREUZENET,J.S.LAM,A.M.BERGHUIS . 341 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14665.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 248 72.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 45 13.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 3 0.9 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 . 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 . 26 7.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 35 10.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 119 34.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 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 1 0 2 0 2 0 1 2 3 0 1 1 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 1 1 2 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 . 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 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 2 1 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 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 0 248 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-115.1 26.1 -25.4 99.7 2 2 A M - 0 0 97 1,-0.1 5,-0.0 2,-0.0 0, 0.0 -0.712 360.0-111.6 -96.0 145.3 29.5 -24.0 98.7 3 3 A S > - 0 0 24 -2,-0.3 4,-1.9 1,-0.1 5,-0.1 -0.120 31.9-104.1 -66.3 168.7 30.2 -21.7 95.8 4 4 A R H > S+ 0 0 100 314,-0.5 4,-2.8 1,-0.2 5,-0.2 0.884 122.0 53.2 -62.9 -38.8 32.1 -22.7 92.7 5 5 A Y H > S+ 0 0 14 313,-0.5 4,-2.8 2,-0.2 -1,-0.2 0.931 106.9 50.9 -62.9 -45.0 35.1 -20.8 93.9 6 6 A E H > S+ 0 0 86 1,-0.2 4,-0.9 2,-0.2 -1,-0.2 0.897 112.8 47.2 -58.4 -39.9 35.1 -22.6 97.3 7 7 A E H >X S+ 0 0 71 -4,-1.9 4,-1.7 1,-0.2 3,-0.6 0.900 110.3 52.1 -68.2 -41.0 34.9 -25.9 95.4 8 8 A L H 3X S+ 0 0 5 -4,-2.8 4,-2.7 1,-0.2 -2,-0.2 0.890 102.0 60.2 -61.9 -39.8 37.7 -24.8 93.1 9 9 A R H 3< S+ 0 0 98 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.815 108.2 45.9 -57.4 -31.3 39.9 -23.9 96.1 10 10 A K H X S+ 0 0 77 -4,-1.7 4,-1.4 1,-0.2 3,-0.7 0.917 100.6 64.4 -72.6 -46.5 40.3 -29.0 93.7 12 12 A L H >< S+ 0 0 10 -4,-2.7 3,-0.6 1,-0.2 -1,-0.2 0.861 99.8 49.7 -48.3 -50.3 43.4 -27.0 92.7 13 13 A P H 34 S+ 0 0 43 0, 0.0 -1,-0.2 0, 0.0 -2,-0.1 0.860 109.4 54.6 -60.1 -33.8 45.7 -28.3 95.4 14 14 A A H << S+ 0 0 77 -3,-0.7 -2,-0.2 -4,-0.6 -3,-0.1 0.794 122.9 25.7 -69.3 -30.2 44.8 -31.8 94.5 15 15 A Q S << S- 0 0 135 -4,-1.4 -1,-0.3 -3,-0.6 26,-0.0 -0.656 87.4-153.9-137.8 79.2 45.7 -31.3 90.8 16 16 A P - 0 0 56 0, 0.0 2,-0.2 0, 0.0 25,-0.1 -0.218 12.1-168.4 -56.4 135.4 48.3 -28.5 90.5 17 17 A K - 0 0 60 25,-0.1 25,-2.3 -5,-0.1 2,-0.6 -0.735 26.0-105.3-120.3 170.0 48.5 -26.5 87.3 18 18 A V E -a 42 0A 40 -2,-0.2 75,-2.3 23,-0.2 76,-2.0 -0.881 38.1-172.0-102.7 118.5 51.0 -24.0 85.9 19 19 A W E -ab 43 94A 0 23,-2.9 25,-3.1 -2,-0.6 2,-0.5 -0.838 12.8-153.4-111.9 147.4 49.9 -20.4 86.0 20 20 A L E -ab 44 95A 0 74,-2.7 76,-3.1 -2,-0.3 2,-0.5 -0.973 8.5-171.2-118.2 130.5 51.5 -17.2 84.4 21 21 A I E > -ab 45 96A 0 23,-2.5 25,-2.0 -2,-0.5 3,-0.7 -0.965 5.4-162.4-122.8 113.4 50.9 -13.8 86.0 22 22 A T E 3 S+ab 46 97A 0 74,-1.7 76,-1.2 -2,-0.5 25,-0.2 -0.748 84.9 28.2 -89.9 144.8 52.1 -10.8 84.0 23 23 A G T > S+ 0 0 11 23,-3.0 3,-1.9 -2,-0.3 6,-0.5 0.750 78.9 152.5 75.7 24.1 52.4 -7.7 86.3 24 24 A V T < + 0 0 0 22,-1.0 9,-0.2 -3,-0.7 23,-0.1 0.693 63.3 59.3 -61.6 -20.9 53.0 -10.1 89.2 25 25 A A T 3 S+ 0 0 0 21,-0.2 28,-2.3 4,-0.1 -1,-0.3 0.454 96.8 82.0 -88.4 -0.1 55.0 -7.5 91.1 26 26 A G S <> S- 0 0 14 -3,-1.9 4,-2.2 26,-0.3 5,-0.2 -0.180 98.4 -83.7 -92.5-170.8 52.1 -5.1 91.1 27 27 A F H > S+ 0 0 28 2,-0.2 4,-1.3 1,-0.2 5,-0.1 0.985 123.6 27.8 -57.9 -69.6 49.0 -4.8 93.3 28 28 A I H > S+ 0 0 27 1,-0.2 4,-1.9 2,-0.2 3,-0.2 0.911 122.1 53.7 -64.0 -43.1 46.6 -7.3 91.7 29 29 A G H > S+ 0 0 1 -6,-0.5 4,-2.3 1,-0.2 -5,-0.2 0.909 108.0 48.0 -58.8 -46.0 49.3 -9.5 90.4 30 30 A S H X S+ 0 0 0 -4,-2.2 4,-1.9 -7,-0.3 -1,-0.2 0.788 111.3 51.7 -67.7 -27.3 51.1 -10.0 93.7 31 31 A N H X S+ 0 0 17 -4,-1.3 4,-2.0 -5,-0.2 -1,-0.2 0.837 109.2 49.6 -76.5 -33.4 47.8 -10.8 95.4 32 32 A L H X S+ 0 0 0 -4,-1.9 4,-3.0 2,-0.2 5,-0.2 0.903 110.3 52.5 -68.7 -39.9 47.1 -13.4 92.7 33 33 A L H X S+ 0 0 0 -4,-2.3 4,-2.8 2,-0.2 5,-0.3 0.928 108.2 49.6 -59.8 -48.4 50.5 -14.8 93.3 34 34 A E H X S+ 0 0 29 -4,-1.9 4,-1.9 2,-0.2 -1,-0.2 0.936 114.3 45.4 -57.4 -48.4 49.9 -15.1 97.1 35 35 A T H X S+ 0 0 13 -4,-2.0 4,-0.9 2,-0.2 -2,-0.2 0.961 115.0 45.6 -60.9 -54.2 46.6 -16.9 96.5 36 36 A L H ><>S+ 0 0 0 -4,-3.0 5,-2.1 1,-0.2 3,-0.7 0.895 112.4 50.1 -60.1 -42.9 47.9 -19.3 93.8 37 37 A L H ><5S+ 0 0 0 -4,-2.8 3,-1.5 1,-0.2 -1,-0.2 0.890 108.8 53.2 -64.2 -36.3 51.1 -20.2 95.8 38 38 A K H 3<5S+ 0 0 91 -4,-1.9 -1,-0.2 -5,-0.3 -2,-0.2 0.686 103.9 56.9 -70.5 -17.5 48.9 -20.9 98.9 39 39 A L T <<5S- 0 0 7 -4,-0.9 -1,-0.3 -3,-0.7 -2,-0.2 0.126 121.0-111.6 -97.5 18.5 46.8 -23.3 96.7 40 40 A D T < 5 + 0 0 70 -3,-1.5 -3,-0.2 1,-0.2 2,-0.2 0.760 67.5 148.9 56.5 34.7 50.0 -25.2 95.9 41 41 A Q < - 0 0 0 -5,-2.1 2,-0.4 -25,-0.1 -1,-0.2 -0.493 51.6-114.1 -92.7 162.7 50.1 -24.1 92.3 42 42 A K E -a 18 0A 86 -25,-2.3 -23,-2.9 -2,-0.2 2,-0.4 -0.825 39.1-167.3 -94.7 136.4 53.1 -23.6 90.1 43 43 A V E -ac 19 72A 3 28,-3.2 30,-2.9 -2,-0.4 2,-0.4 -0.988 20.0-166.6-135.3 136.4 53.5 -20.0 89.1 44 44 A V E -ac 20 73A 15 -25,-3.1 -23,-2.5 -2,-0.4 2,-0.3 -0.936 18.6-160.8-112.4 137.2 55.6 -18.1 86.5 45 45 A G E -ac 21 74A 0 28,-3.0 30,-2.3 -2,-0.4 2,-0.4 -0.930 10.1-168.9-123.4 148.8 55.7 -14.3 86.9 46 46 A L E +ac 22 75A 1 -25,-2.0 -23,-3.0 -2,-0.3 -22,-1.0 -0.997 22.4 142.7-136.2 128.3 56.6 -11.5 84.4 47 47 A D E - c 0 76A 13 28,-1.7 30,-1.3 -2,-0.4 31,-0.1 -0.963 38.1-157.8-164.7 147.7 57.2 -7.9 85.4 48 48 A N - 0 0 58 -2,-0.3 30,-0.1 28,-0.2 28,-0.1 0.359 45.4-121.7-108.5 1.5 59.5 -4.9 84.5 49 49 A F + 0 0 49 28,-0.1 5,-0.1 4,-0.1 29,-0.1 0.772 65.8 141.2 62.6 27.6 58.9 -3.0 87.7 50 50 A A S S- 0 0 59 1,-0.1 -1,-0.1 3,-0.1 51,-0.0 0.936 95.2 -11.8 -63.5 -45.5 57.6 -0.0 85.8 51 51 A T S S+ 0 0 61 49,-0.1 -1,-0.1 2,-0.0 151,-0.1 0.402 124.8 89.0-130.9 -10.1 55.0 0.6 88.6 52 52 A G - 0 0 5 -26,-0.1 2,-0.3 3,-0.0 -26,-0.3 -0.257 66.3-134.0 -83.0 177.0 55.4 -2.7 90.5 53 53 A H >> - 0 0 48 -28,-2.3 3,-1.2 1,-0.1 4,-1.0 -0.995 19.4-139.1-143.0 142.9 57.8 -3.3 93.4 54 54 A Q H 3> S+ 0 0 88 -2,-0.3 4,-2.6 1,-0.3 3,-0.5 0.853 106.5 67.0 -61.8 -33.2 60.3 -6.0 94.5 55 55 A R H 3> S+ 0 0 83 1,-0.3 4,-2.2 2,-0.2 -1,-0.3 0.808 95.0 56.4 -58.5 -29.8 58.9 -5.3 98.0 56 56 A N H <> S+ 0 0 5 -3,-1.2 4,-2.0 -31,-0.3 -1,-0.3 0.884 108.6 45.5 -69.3 -37.6 55.6 -6.8 96.8 57 57 A L H X S+ 0 0 3 -4,-1.0 4,-2.1 -3,-0.5 -2,-0.2 0.874 113.0 50.9 -71.5 -36.6 57.4 -10.0 95.9 58 58 A D H X S+ 0 0 77 -4,-2.6 4,-1.7 2,-0.2 -2,-0.2 0.880 108.7 52.2 -67.6 -36.6 59.2 -10.0 99.2 59 59 A E H X S+ 0 0 41 -4,-2.2 4,-0.9 -5,-0.2 -2,-0.2 0.933 108.1 50.2 -65.1 -45.6 55.9 -9.5 101.0 60 60 A V H >X S+ 0 0 0 -4,-2.0 4,-1.3 1,-0.2 3,-1.1 0.920 109.0 52.2 -58.8 -43.6 54.4 -12.5 99.3 61 61 A R H 3< S+ 0 0 140 -4,-2.1 3,-0.3 1,-0.3 -1,-0.2 0.877 107.3 52.7 -61.2 -34.8 57.4 -14.7 100.2 62 62 A S H 3< S+ 0 0 89 -4,-1.7 -1,-0.3 1,-0.2 -2,-0.2 0.674 112.3 47.3 -73.7 -15.1 57.0 -13.6 103.8 63 63 A L H << S+ 0 0 69 -3,-1.1 2,-0.2 -4,-0.9 -2,-0.2 0.605 106.4 59.8-101.4 -15.1 53.4 -14.7 103.6 64 64 A V S < S- 0 0 16 -4,-1.3 -26,-0.1 -3,-0.3 -30,-0.0 -0.727 90.7 -91.8-112.5 164.4 53.7 -18.1 102.0 65 65 A S > - 0 0 52 -2,-0.2 4,-2.2 1,-0.1 5,-0.2 -0.257 35.0-112.7 -69.5 161.3 55.6 -21.3 103.1 66 66 A E H > S+ 0 0 169 1,-0.2 4,-1.1 2,-0.2 -1,-0.1 0.851 119.0 51.7 -62.0 -36.4 59.1 -21.9 101.9 67 67 A K H >4 S+ 0 0 155 2,-0.2 3,-0.5 1,-0.2 4,-0.3 0.942 109.0 49.2 -66.2 -48.3 57.9 -24.9 99.8 68 68 A Q H >4 S+ 0 0 30 1,-0.2 3,-1.8 2,-0.2 -2,-0.2 0.889 106.4 55.9 -59.7 -41.1 55.2 -22.8 98.1 69 69 A W H >< S+ 0 0 65 -4,-2.2 3,-1.5 1,-0.3 -1,-0.2 0.815 98.5 62.6 -62.8 -28.9 57.6 -20.0 97.3 70 70 A S T << S+ 0 0 84 -4,-1.1 -1,-0.3 -3,-0.5 -2,-0.2 0.592 91.8 66.6 -72.4 -9.0 59.8 -22.6 95.5 71 71 A N T < S+ 0 0 38 -3,-1.8 -28,-3.2 -4,-0.3 2,-0.5 0.240 87.0 92.8 -92.6 12.9 56.9 -23.1 93.1 72 72 A F E < -c 43 0A 25 -3,-1.5 2,-0.5 -30,-0.2 -28,-0.2 -0.927 52.7-173.1-113.9 126.9 57.4 -19.6 91.8 73 73 A K E -c 44 0A 127 -30,-2.9 -28,-3.0 -2,-0.5 2,-0.4 -0.974 12.7-161.3-118.0 116.5 59.6 -18.7 88.8 74 74 A F E -c 45 0A 61 -2,-0.5 2,-0.5 -30,-0.2 -28,-0.2 -0.830 7.4-169.0-103.6 136.5 60.0 -14.9 88.3 75 75 A I E -c 46 0A 30 -30,-2.3 -28,-1.7 -2,-0.4 2,-1.0 -0.975 16.0-146.5-123.5 116.9 61.1 -13.3 85.1 76 76 A Q E +c 47 0A 139 -2,-0.5 2,-0.3 -30,-0.2 -28,-0.2 -0.753 54.5 122.6 -81.6 108.3 62.1 -9.6 85.0 77 77 A G - 0 0 8 -30,-1.3 2,-0.4 -2,-1.0 -28,-0.1 -0.934 58.8-108.5-156.4 178.9 60.9 -8.8 81.6 78 78 A D > - 0 0 37 -2,-0.3 3,-2.1 -30,-0.1 6,-0.3 -0.961 12.2-143.4-122.8 132.3 58.7 -6.5 79.5 79 79 A I T 3 S+ 0 0 8 -2,-0.4 45,-0.1 1,-0.3 6,-0.1 0.689 101.4 69.7 -67.1 -13.5 55.5 -7.5 77.7 80 80 A R T 3 S+ 0 0 135 1,-0.1 2,-0.7 44,-0.1 -1,-0.3 0.546 87.4 76.5 -78.1 -5.9 56.5 -5.1 74.9 81 81 A N S X> S- 0 0 63 -3,-2.1 4,-1.8 1,-0.1 3,-0.9 -0.914 71.9-157.3-107.3 106.9 59.3 -7.6 74.2 82 82 A L H 3> S+ 0 0 68 -2,-0.7 4,-2.6 1,-0.3 5,-0.2 0.804 92.7 58.5 -53.7 -31.8 57.8 -10.6 72.3 83 83 A D H 3> S+ 0 0 107 2,-0.2 4,-2.2 1,-0.2 -1,-0.3 0.874 104.6 49.4 -67.2 -37.7 60.8 -12.7 73.5 84 84 A D H <> S+ 0 0 36 -3,-0.9 4,-2.1 -6,-0.3 -2,-0.2 0.900 112.2 49.5 -67.1 -39.0 60.0 -12.1 77.1 85 85 A C H X S+ 0 0 0 -4,-1.8 4,-2.3 -7,-0.3 -2,-0.2 0.931 110.0 50.2 -64.2 -47.0 56.4 -13.1 76.5 86 86 A N H X S+ 0 0 61 -4,-2.6 4,-0.9 1,-0.2 -2,-0.2 0.939 112.1 47.5 -57.5 -47.9 57.4 -16.3 74.7 87 87 A N H < S+ 0 0 99 -4,-2.2 3,-0.5 1,-0.2 -1,-0.2 0.885 112.8 48.8 -61.1 -40.6 59.7 -17.3 77.5 88 88 A A H < S+ 0 0 1 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.837 111.1 49.9 -69.1 -34.6 57.0 -16.5 80.2 89 89 A C H >< S+ 0 0 0 -4,-2.3 3,-1.9 -5,-0.1 -1,-0.2 0.558 79.8 123.4 -81.6 -10.3 54.3 -18.5 78.3 90 90 A A T 3< S- 0 0 66 -4,-0.9 43,-0.1 -3,-0.5 42,-0.0 -0.335 89.1 -7.7 -59.3 122.5 56.4 -21.6 77.9 91 91 A G T 3 S+ 0 0 67 41,-0.2 2,-0.3 1,-0.2 -1,-0.3 0.725 97.8 147.3 64.9 24.2 54.7 -24.7 79.4 92 92 A V < - 0 0 6 -3,-1.9 43,-0.2 1,-0.2 -1,-0.2 -0.725 34.9-169.8 -96.0 141.4 51.9 -22.6 81.0 93 93 A D S S+ 0 0 37 -75,-2.3 42,-2.0 -2,-0.3 43,-1.7 0.911 75.2 25.0 -88.8 -55.8 48.4 -23.8 81.4 94 94 A Y E -bd 19 136A 23 -76,-2.0 -74,-2.7 41,-0.2 2,-0.5 -0.945 65.3-156.7-119.9 129.5 46.6 -20.6 82.5 95 95 A V E -bd 20 137A 0 41,-2.4 43,-3.3 -2,-0.5 2,-0.6 -0.886 5.3-171.9-105.8 127.4 47.6 -17.0 81.8 96 96 A L E -bd 21 138A 0 -76,-3.1 -74,-1.7 -2,-0.5 2,-0.9 -0.934 15.2-158.0-115.4 101.3 46.3 -14.2 84.0 97 97 A H E +bd 22 139A 6 41,-3.6 43,-2.2 -2,-0.6 -74,-0.1 -0.733 36.5 142.2 -89.3 105.9 47.4 -11.0 82.2 98 98 A Q + 0 0 25 -76,-1.2 2,-0.3 -2,-0.9 -75,-0.2 0.496 30.2 121.4-115.5 -12.3 47.6 -8.1 84.6 99 99 A A + 0 0 13 -53,-0.1 2,-0.3 -77,-0.1 -76,-0.1 -0.373 41.2 107.1 -60.8 118.5 50.6 -6.3 83.2 100 100 A A S S- 0 0 27 -2,-0.3 2,-0.7 21,-0.0 -49,-0.1 -0.970 70.8 -98.0-175.8 171.2 49.6 -2.7 82.2 101 101 A L - 0 0 13 -2,-0.3 17,-0.1 13,-0.3 6,-0.1 -0.923 44.0-168.4-108.6 107.0 49.9 0.9 83.1 102 102 A G + 0 0 30 -2,-0.7 5,-0.1 4,-0.0 16,-0.0 0.099 38.0 90.9 -77.2-162.7 46.8 2.0 85.0 103 103 A S > - 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0 0 1 -2,-0.3 3,-1.2 40,-0.2 131,-0.0 -0.910 69.0 -4.2 145.0-170.9 43.3 -3.9 99.2 199 199 A R T 3 S+ 0 0 89 -2,-0.3 3,-0.1 1,-0.2 -168,-0.1 -0.206 120.2 20.5 -56.5 139.1 46.7 -4.7 100.5 200 200 A R T 3 S+ 0 0 4 1,-0.3 2,-0.9 -170,-0.0 -1,-0.2 0.600 77.4 139.3 77.0 15.4 49.7 -3.8 98.3 201 201 A Q < - 0 0 30 -3,-1.2 -1,-0.3 -174,-0.1 -3,-0.1 -0.841 66.0-107.4 -90.1 113.0 47.9 -1.2 96.3 202 202 A D - 0 0 43 -2,-0.9 7,-0.5 1,-0.2 11,-0.2 -0.124 34.7-174.5 -45.9 118.3 50.6 1.5 96.0 203 203 A P + 0 0 5 0, 0.0 5,-0.2 0, 0.0 -1,-0.2 0.615 64.9 77.5 -89.8 -14.3 49.9 4.6 98.2 204 204 A N + 0 0 77 3,-0.1 3,-0.2 12,-0.0 9,-0.1 -0.451 67.3 56.4 -92.6 167.2 53.0 6.5 96.8 205 205 A G S > S- 0 0 56 1,-0.1 3,-1.2 -2,-0.1 0, 0.0 0.076 88.8 -86.9 93.6 152.9 53.4 8.2 93.5 206 206 A A T 3 S+ 0 0 99 1,-0.2 -1,-0.1 -100,-0.0 -2,-0.0 0.600 125.0 51.8 -71.0 -11.1 51.4 11.0 91.7 207 207 A Y T 3 S+ 0 0 83 -3,-0.2 -1,-0.2 -102,-0.0 -2,-0.1 0.136 74.9 144.3-114.0 21.3 49.1 8.4 90.3 208 208 A A < - 0 0 18 -3,-1.2 -3,-0.1 -5,-0.2 -7,-0.0 -0.294 55.5-105.4 -61.9 141.4 48.0 6.5 93.4 209 209 A A > - 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