==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=22-MAY-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ISOMERASE 05-MAY-11 3RUD . COMPND 2 MOLECULE: WBGU; . SOURCE 2 ORGANISM_SCIENTIFIC: PLESIOMONAS SHIGELLOIDES; . AUTHOR V.S.BHATT,W GUAN,P.G.WANG . 1344 8 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 54328.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 993 73.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 178 13.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 12 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 . 108 8.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 132 9.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 486 36.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 21 1.6 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 4 6 6 3 1 4 12 8 0 0 4 0 0 0 4 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 7 4 4 8 16 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 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 ANTIPARALLEL BRIDGES PER LADDER . 9 3 0 0 0 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 Y 0 0 134 0, 0.0 2,-0.9 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 130.6 -16.9 28.8 -23.6 2 2 A M > + 0 0 45 1,-0.2 4,-2.6 2,-0.1 5,-0.2 -0.743 360.0 174.9-105.1 81.3 -15.3 29.7 -20.3 3 3 A S H > S+ 0 0 1 -2,-0.9 4,-2.2 1,-0.2 -1,-0.2 0.884 70.5 41.5 -64.8 -49.9 -18.4 31.2 -18.8 4 4 A R H > S+ 0 0 24 310,-0.4 4,-2.7 382,-0.2 -1,-0.2 0.936 117.3 50.5 -61.9 -42.2 -17.5 32.0 -15.3 5 5 A Y H > S+ 0 0 22 309,-0.3 4,-2.6 1,-0.2 -2,-0.2 0.874 107.4 54.7 -66.4 -40.3 -14.1 33.3 -16.4 6 6 A E H X S+ 0 0 41 -4,-2.6 4,-1.7 1,-0.2 -1,-0.2 0.943 110.8 45.6 -56.5 -50.5 -15.8 35.5 -19.1 7 7 A E H X S+ 0 0 13 -4,-2.2 4,-1.7 2,-0.2 -2,-0.2 0.887 110.7 50.7 -60.8 -48.0 -17.9 37.1 -16.4 8 8 A I H X S+ 0 0 13 -4,-2.7 4,-1.9 1,-0.2 3,-0.3 0.933 109.5 52.8 -56.7 -46.7 -15.1 37.7 -13.9 9 9 A T H X S+ 0 0 15 -4,-2.6 4,-2.5 1,-0.2 -1,-0.2 0.885 105.2 55.4 -60.1 -35.3 -13.0 39.3 -16.7 10 10 A Q H X S+ 0 0 0 -4,-1.7 4,-1.8 1,-0.2 -1,-0.2 0.864 105.9 51.4 -62.1 -39.0 -16.0 41.6 -17.4 11 11 A Q H X S+ 0 0 29 -4,-1.7 4,-2.8 -3,-0.3 -1,-0.2 0.936 110.0 49.5 -61.6 -44.9 -16.0 42.8 -13.9 12 12 A L H < S+ 0 0 2 -4,-1.9 -2,-0.2 1,-0.2 -1,-0.2 0.897 107.6 52.9 -65.3 -44.0 -12.3 43.6 -13.9 13 13 A I H < S+ 0 0 37 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.907 115.3 41.4 -58.1 -43.6 -12.5 45.6 -17.1 14 14 A F H < S+ 0 0 77 -4,-1.8 -2,-0.2 1,-0.3 -1,-0.2 0.889 129.5 27.9 -70.3 -41.0 -15.3 47.7 -15.7 15 15 A S S < S- 0 0 49 -4,-2.8 -1,-0.3 -5,-0.2 -2,-0.1 -0.767 90.0-158.8-123.5 77.3 -13.8 48.1 -12.2 16 16 A P - 0 0 59 0, 0.0 2,-0.2 0, 0.0 -3,-0.1 -0.293 8.6-160.3 -63.4 143.6 -10.0 47.7 -12.9 17 17 A K - 0 0 59 -5,-0.0 25,-2.6 25,-0.0 2,-0.6 -0.624 22.5-105.1-119.4 173.8 -7.7 46.7 -10.0 18 18 A T E -a 42 0A 33 -2,-0.2 75,-2.8 73,-0.2 76,-2.2 -0.938 39.9-171.5-104.0 121.9 -4.0 46.9 -9.0 19 19 A W E -ab 43 94A 0 23,-2.7 25,-3.0 -2,-0.6 2,-0.5 -0.868 15.0-149.1-112.3 141.8 -2.4 43.5 -9.3 20 20 A L E -ab 44 95A 0 74,-2.8 76,-2.9 -2,-0.3 2,-0.5 -0.979 12.7-172.0-109.9 129.9 1.2 42.3 -8.2 21 21 A I E > -ab 45 96A 0 23,-2.4 25,-2.5 -2,-0.5 3,-0.6 -0.982 3.9-166.0-115.8 117.9 2.8 39.6 -10.2 22 22 A T E 3 S+ab 46 97A 0 74,-2.0 76,-1.1 -2,-0.5 25,-0.2 -0.797 81.4 32.4 -94.4 152.3 6.0 38.2 -8.8 23 23 A G T > S+ 0 0 10 23,-1.9 3,-2.5 -2,-0.4 6,-0.5 0.644 78.2 150.8 77.3 16.8 7.9 36.2 -11.4 24 24 A V T < + 0 0 0 22,-1.1 9,-0.2 -3,-0.6 23,-0.1 0.683 64.1 51.6 -62.5 -26.9 6.6 38.5 -14.0 25 25 A A T 3 S+ 0 0 0 21,-0.2 28,-2.1 4,-0.1 -1,-0.3 0.398 100.2 85.9 -88.1 3.4 9.5 38.2 -16.4 26 26 A G S <> S- 0 0 14 -3,-2.5 4,-1.9 26,-0.2 5,-0.2 -0.134 98.5 -85.6 -89.9-168.8 9.3 34.4 -16.3 27 27 A F H > S+ 0 0 27 2,-0.2 4,-1.6 3,-0.1 5,-0.1 0.993 122.8 26.3 -62.5 -66.1 7.1 32.0 -18.3 28 28 A I H > S+ 0 0 28 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.915 120.8 58.2 -72.0 -39.1 3.8 32.0 -16.3 29 29 A G H > S+ 0 0 2 -6,-0.5 4,-2.0 1,-0.2 -5,-0.2 0.916 106.9 45.2 -52.9 -49.4 4.4 35.4 -14.9 30 30 A S H X S+ 0 0 0 -4,-1.9 4,-2.6 -7,-0.4 -1,-0.2 0.838 110.6 55.8 -71.8 -28.8 4.7 37.1 -18.3 31 31 A N H X S+ 0 0 2 -4,-1.6 4,-1.8 -5,-0.2 -2,-0.2 0.937 108.6 46.4 -63.5 -44.9 1.6 35.2 -19.5 32 32 A L H X S+ 0 0 0 -4,-2.8 4,-2.4 2,-0.2 5,-0.2 0.858 111.0 54.4 -60.4 -38.1 -0.4 36.6 -16.6 33 33 A L H X S+ 0 0 0 -4,-2.0 4,-2.5 -5,-0.2 5,-0.3 0.961 105.6 52.6 -60.4 -52.1 1.1 40.0 -17.4 34 34 A E H X S+ 0 0 11 -4,-2.6 4,-1.9 1,-0.2 -2,-0.2 0.899 113.8 41.1 -47.2 -55.1 -0.1 39.8 -21.0 35 35 A K H X S+ 0 0 68 -4,-1.8 4,-1.0 2,-0.2 -1,-0.2 0.954 113.6 50.9 -66.7 -50.5 -3.7 39.0 -20.1 36 36 A L H ><>S+ 0 0 0 -4,-2.4 5,-2.4 1,-0.2 3,-0.7 0.901 111.6 47.9 -55.7 -42.7 -4.1 41.4 -17.1 37 37 A L H ><5S+ 0 0 0 -4,-2.5 3,-2.2 1,-0.2 -1,-0.2 0.931 107.8 56.4 -63.2 -42.9 -2.8 44.4 -19.2 38 38 A K H 3<5S+ 0 0 99 -4,-1.9 -1,-0.2 -5,-0.3 -2,-0.2 0.690 104.9 52.5 -57.6 -21.8 -5.2 43.3 -22.0 39 39 A L T <<5S- 0 0 8 -4,-1.0 -1,-0.3 -3,-0.7 -2,-0.2 0.118 120.6-112.6 -96.0 12.2 -8.0 43.7 -19.4 40 40 A N T < 5 + 0 0 48 -3,-2.2 -3,-0.2 1,-0.2 -2,-0.1 0.660 63.7 155.5 64.0 20.1 -6.7 47.2 -18.6 41 41 A Q < - 0 0 0 -5,-2.4 2,-0.5 -25,-0.1 -1,-0.2 -0.391 49.5-117.0 -68.7 152.0 -5.6 46.3 -15.1 42 42 A V E -a 18 0A 54 -25,-2.6 -23,-2.7 -2,-0.1 2,-0.4 -0.838 40.1-166.8 -81.4 124.6 -2.9 48.2 -13.3 43 43 A V E -ac 19 72A 0 28,-2.0 30,-2.5 -2,-0.5 2,-0.5 -0.975 19.2-163.2-121.1 135.4 -0.0 45.8 -12.8 44 44 A I E -ac 20 73A 22 -25,-3.0 -23,-2.4 -2,-0.4 2,-0.4 -0.956 20.5-158.7-106.7 131.0 3.1 46.0 -10.6 45 45 A G E -ac 21 74A 0 28,-3.1 30,-2.9 -2,-0.5 2,-0.4 -0.922 12.0-171.4-119.4 138.5 5.7 43.5 -11.6 46 46 A L E +ac 22 75A 3 -25,-2.5 -23,-1.9 -2,-0.4 -22,-1.1 -0.996 19.9 143.5-128.7 129.5 8.6 42.1 -9.6 47 47 A D E - c 0 76A 13 28,-1.4 30,-1.8 -2,-0.4 -2,-0.0 -0.983 36.5-154.8-159.2 150.2 11.4 39.9 -11.0 48 48 A N - 0 0 50 -2,-0.3 30,-0.1 28,-0.2 28,-0.1 0.421 44.3-120.3-108.1 3.3 15.2 39.5 -10.4 49 49 A F S S+ 0 0 51 28,-0.1 5,-0.1 4,-0.1 27,-0.0 0.774 71.5 132.1 60.9 32.1 16.1 38.0 -13.8 50 50 A S S S- 0 0 65 1,-0.1 51,-0.1 3,-0.1 -3,-0.0 0.977 95.9 -10.1 -69.9 -72.1 17.4 34.8 -12.4 51 51 A T S S+ 0 0 61 49,-0.1 2,-0.1 2,-0.0 151,-0.1 0.492 128.6 87.2 -97.5 -8.7 15.5 32.4 -14.7 52 52 A G - 0 0 4 -26,-0.1 2,-0.4 -25,-0.0 -26,-0.2 -0.480 67.6-140.8 -90.8 167.2 13.4 35.2 -16.1 53 53 A H >> - 0 0 48 -28,-2.1 3,-1.4 -2,-0.1 4,-1.1 -0.976 22.7-138.8-137.1 142.4 14.2 37.5 -19.0 54 54 A Q H 3> S+ 0 0 94 -2,-0.4 4,-2.2 1,-0.3 3,-0.5 0.869 106.8 65.0 -54.8 -39.1 13.9 41.1 -20.0 55 55 A Y H 3> S+ 0 0 82 1,-0.2 4,-1.9 2,-0.2 -1,-0.3 0.700 94.1 59.2 -63.1 -21.8 12.9 39.8 -23.5 56 56 A N H <> S+ 0 0 5 -3,-1.4 4,-2.0 -31,-0.2 -1,-0.2 0.910 108.1 46.0 -66.4 -40.7 9.7 38.3 -22.0 57 57 A L H X S+ 0 0 2 -4,-1.1 4,-2.3 -3,-0.5 -2,-0.2 0.935 111.3 51.1 -67.7 -45.4 8.8 41.7 -20.9 58 58 A D H X S+ 0 0 81 -4,-2.2 4,-1.2 1,-0.2 -1,-0.2 0.903 108.3 52.7 -57.9 -45.4 9.6 43.2 -24.4 59 59 A E H >X S+ 0 0 44 -4,-1.9 3,-0.9 1,-0.2 4,-0.7 0.953 108.5 49.9 -56.4 -47.7 7.5 40.6 -26.1 60 60 A V H >X S+ 0 0 0 -4,-2.0 3,-1.6 1,-0.3 4,-0.7 0.907 103.6 60.3 -59.7 -42.6 4.5 41.4 -23.9 61 61 A K H 3< S+ 0 0 114 -4,-2.3 3,-0.4 1,-0.3 -1,-0.3 0.820 105.7 48.2 -50.3 -35.5 5.0 45.2 -24.7 62 62 A T H << S+ 0 0 110 -4,-1.2 -1,-0.3 -3,-0.9 -2,-0.2 0.622 106.8 58.4 -80.3 -13.0 4.4 44.3 -28.4 63 63 A L H << S+ 0 0 72 -3,-1.6 2,-0.3 -4,-0.7 -1,-0.2 0.551 105.3 48.8 -95.3 -7.1 1.3 42.3 -27.6 64 64 A V S < S- 0 0 15 -4,-0.7 -26,-0.1 -3,-0.4 -29,-0.0 -0.880 90.5 -92.3-134.3 159.2 -0.7 45.0 -25.9 65 65 A S > - 0 0 45 -2,-0.3 4,-2.1 1,-0.1 5,-0.1 -0.063 37.3-111.2 -67.4 171.9 -1.6 48.6 -26.6 66 66 A T H > S+ 0 0 105 2,-0.2 4,-1.5 1,-0.2 -1,-0.1 0.856 117.5 53.4 -80.8 -31.4 0.5 51.6 -25.4 67 67 A E H 4 S+ 0 0 113 2,-0.2 4,-0.2 1,-0.2 -1,-0.2 0.877 111.6 48.6 -61.3 -41.0 -2.1 52.8 -22.9 68 68 A Q H >4 S+ 0 0 29 1,-0.2 3,-1.8 2,-0.2 -2,-0.2 0.934 109.4 50.3 -62.9 -48.2 -2.2 49.3 -21.5 69 69 A W H >< S+ 0 0 53 -4,-2.1 3,-1.7 1,-0.3 -1,-0.2 0.836 101.4 65.6 -60.8 -29.3 1.6 49.1 -21.3 70 70 A S T 3< S+ 0 0 89 -4,-1.5 -1,-0.3 1,-0.3 -2,-0.2 0.602 92.2 60.8 -72.4 -11.2 1.6 52.4 -19.5 71 71 A R T < S+ 0 0 94 -3,-1.8 -28,-2.0 -4,-0.2 2,-0.6 0.267 86.4 95.5 -95.9 7.9 -0.3 50.8 -16.5 72 72 A F E < -c 43 0A 23 -3,-1.7 2,-0.6 -30,-0.2 -28,-0.2 -0.906 53.2-170.9-105.4 116.9 2.6 48.4 -15.9 73 73 A C E -c 44 0A 69 -30,-2.5 -28,-3.1 -2,-0.6 2,-0.5 -0.944 11.5-158.8-104.7 114.0 5.2 49.4 -13.3 74 74 A F E -c 45 0A 59 -2,-0.6 2,-0.5 -30,-0.2 -28,-0.2 -0.811 6.4-168.8 -95.6 136.2 8.2 47.0 -13.4 75 75 A I E -c 46 0A 54 -30,-2.9 -28,-1.4 -2,-0.5 2,-0.7 -0.986 14.5-146.9-128.6 115.9 10.5 46.7 -10.4 76 76 A E E +c 47 0A 129 -2,-0.5 2,-0.3 -30,-0.2 -28,-0.2 -0.754 52.6 113.8 -75.7 115.4 13.7 44.8 -10.6 77 77 A G - 0 0 17 -30,-1.8 2,-0.4 -2,-0.7 -28,-0.1 -0.980 60.2 -99.1-175.0 178.7 14.2 43.3 -7.2 78 78 A D > - 0 0 37 -2,-0.3 3,-1.5 -30,-0.1 7,-0.3 -0.932 11.9-143.5-122.7 132.4 14.3 40.1 -5.2 79 79 A I T 3 S+ 0 0 11 -2,-0.4 45,-0.1 1,-0.2 46,-0.1 0.591 97.7 73.8 -69.3 -9.5 11.6 38.5 -3.1 80 80 A R T 3 S+ 0 0 96 1,-0.1 2,-0.7 44,-0.1 -1,-0.2 0.639 83.7 78.5 -75.2 -12.9 14.4 37.4 -0.5 81 81 A D X> - 0 0 80 -3,-1.5 4,-2.1 1,-0.2 3,-0.8 -0.885 67.8-161.9-101.4 107.4 14.4 41.1 0.5 82 82 A L H 3> S+ 0 0 65 -2,-0.7 4,-2.5 1,-0.2 5,-0.2 0.883 88.5 59.6 -54.0 -46.2 11.5 41.9 2.8 83 83 A T H 3> S+ 0 0 76 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.817 106.6 45.5 -50.5 -40.4 11.9 45.6 2.2 84 84 A T H <> S+ 0 0 18 -3,-0.8 4,-2.6 -6,-0.2 5,-0.2 0.932 109.8 57.1 -75.7 -38.4 11.4 45.3 -1.5 85 85 A C H X S+ 0 0 0 -4,-2.1 4,-1.0 -7,-0.3 -2,-0.2 0.907 109.6 44.1 -51.7 -50.1 8.4 43.0 -0.8 86 86 A E H < S+ 0 0 84 -4,-2.5 4,-0.4 1,-0.2 -1,-0.2 0.856 110.8 54.1 -68.1 -37.5 6.7 45.7 1.2 87 87 A Q H >< S+ 0 0 117 -4,-1.7 3,-1.0 1,-0.2 -1,-0.2 0.898 109.0 48.1 -62.8 -41.5 7.4 48.4 -1.2 88 88 A V H 3< S+ 0 0 3 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.758 104.2 62.7 -72.3 -20.5 5.9 46.5 -4.1 89 89 A M T >< S+ 0 0 2 -4,-1.0 3,-2.4 -5,-0.2 2,-0.3 0.594 70.7 122.0 -75.5 -10.8 2.7 45.7 -2.0 90 90 A K T < S- 0 0 161 -3,-1.0 39,-0.0 -4,-0.4 -3,-0.0 -0.394 89.5 -5.0 -70.5 120.1 1.7 49.3 -1.6 91 91 A G T 3 S+ 0 0 63 -2,-0.3 -1,-0.3 1,-0.3 2,-0.2 0.518 93.6 151.0 77.8 10.0 -1.8 49.8 -3.0 92 92 A V < + 0 0 8 -3,-2.4 -1,-0.3 1,-0.2 -73,-0.2 -0.545 25.0 179.4 -75.5 138.3 -2.1 46.2 -4.3 93 93 A D S S+ 0 0 36 -75,-2.8 42,-1.8 1,-0.3 43,-1.6 0.813 71.3 32.0 -94.6 -50.9 -5.5 44.6 -4.5 94 94 A H E -bd 19 136A 8 -76,-2.2 -74,-2.8 41,-0.2 2,-0.5 -0.942 66.8-156.7-124.2 125.8 -4.6 41.2 -6.0 95 95 A V E -bd 20 137A 0 41,-2.2 43,-2.3 -2,-0.5 2,-0.5 -0.889 8.9-177.8-103.0 128.2 -1.4 39.2 -5.5 96 96 A L E -bd 21 138A 0 -76,-2.9 -74,-2.0 -2,-0.5 2,-0.9 -0.904 13.4-163.5-121.7 98.8 -0.3 36.6 -7.9 97 97 A H E +bd 22 139A 2 41,-2.6 43,-2.5 -2,-0.5 -74,-0.1 -0.751 33.7 139.5 -94.2 103.8 2.9 35.0 -6.6 98 98 A Q + 0 0 21 -76,-1.1 -75,-0.2 -2,-0.9 2,-0.2 0.451 30.4 120.3-112.8 -12.7 4.8 33.1 -9.2 99 99 A A + 0 0 16 -53,-0.1 2,-0.3 22,-0.1 -76,-0.1 -0.397 37.9 113.2 -67.4 125.0 8.4 34.0 -8.3 100 100 A A - 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0 0 30 -3,-1.4 -1,-0.3 -174,-0.1 -3,-0.1 -0.788 64.1-108.5 -81.1 128.1 -30.5 38.9 -6.5 540 202 B D - 0 0 47 -2,-0.5 7,-0.6 1,-0.1 11,-0.2 -0.391 33.7-175.6 -67.8 117.4 -26.7 39.0 -6.3 541 203 B P + 0 0 7 0, 0.0 -1,-0.1 0, 0.0 5,-0.1 0.667 63.2 79.1 -79.4 -20.2 -25.3 41.7 -3.9 542 204 B N + 0 0 82 3,-0.1 3,-0.2 12,-0.0 4,-0.1 -0.264 68.4 44.3 -91.1 164.9 -21.7 40.9 -4.9 543 205 B G S > S- 0 0 40 1,-0.2 3,-1.4 2,-0.1 -535,-0.0 0.166 90.5 -70.5 89.5 156.3 -19.6 41.9 -7.9 544 206 B A T 3 S+ 0 0 32 1,-0.2 -1,-0.2 -536,-0.1 -536,-0.0 0.676 127.6 46.1 -63.4 -18.7 -18.8 44.9 -10.1 545 207 B Y T 3 S+ 0 0 26 -3,-0.2 -1,-0.2 -102,-0.0 -2,-0.1 0.291 75.2 144.8-112.4 11.4 -22.3 44.9 -11.6 546 208 B A < - 0 0 12 -3,-1.4 2,-0.1 -4,-0.1 -3,-0.1 -0.102 52.4-110.1 -48.8 143.4 -24.7 44.4 -8.6 547 209 B A > - 0 0 38 -7,-0.6 4,-2.5 1,-0.1 5,-0.2 -0.407 31.3-103.2 -76.6 157.8 -28.0 46.2 -8.8 548 210 B V H > S+ 0 0 37 1,-0.2 4,-2.5 2,-0.2 5,-0.3 0.829 112.5 51.2 -57.4 -38.1 -28.7 49.2 -6.5 549 211 B I H > S+ 0 0 2 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.974 116.1 35.5 -72.0 -54.0 -30.9 47.4 -4.0 550 212 B P H > S+ 0 0 0 0, 0.0 4,-2.6 0, 0.0 -1,-0.2 0.914 118.0 55.6 -65.4 -35.8 -28.8 44.4 -3.1 551 213 B K H X S+ 0 0 78 -4,-2.5 4,-2.0 1,-0.2 -2,-0.2 0.955 112.3 40.5 -54.0 -54.3 -25.6 46.5 -3.4 552 214 B W H X S+ 0 0 11 -4,-2.5 4,-2.2 -5,-0.2 -1,-0.2 0.841 113.7 54.4 -67.0 -34.1 -26.8 49.1 -0.9 553 215 B T H X S+ 0 0 0 -4,-2.0 4,-2.2 -5,-0.3 -1,-0.2 0.938 109.0 48.2 -65.2 -46.1 -28.3 46.5 1.4 554 216 B A H X S+ 0 0 13 -4,-2.6 4,-1.9 1,-0.2 6,-0.2 0.899 112.1 49.1 -56.4 -47.6 -24.9 44.7 1.5 555 217 B A H X>S+ 0 0 15 -4,-2.0 5,-1.5 2,-0.2 4,-0.7 0.815 108.4 52.4 -66.9 -36.3 -23.0 47.9 2.2 556 218 B M H <5S+ 0 0 42 -4,-2.2 3,-0.5 3,-0.2 -1,-0.2 0.928 110.7 48.8 -66.9 -42.9 -25.4 49.0 5.1 557 219 B L H <5S+ 0 0 44 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.888 112.8 46.1 -60.0 -41.6 -24.9 45.7 6.7 558 220 B K H <5S- 0 0 161 -4,-1.9 -1,-0.2 -5,-0.1 -2,-0.2 0.592 113.4-119.0 -77.6 -10.8 -21.1 45.9 6.4 559 221 B G T <5 + 0 0 64 -4,-0.7 -3,-0.2 -3,-0.5 -4,-0.1 0.462 67.3 145.7 83.3 4.0 -21.3 49.4 7.7 560 222 B D < - 0 0 102 -5,-1.5 -1,-0.2 -6,-0.2 -2,-0.0 -0.070 55.3 -75.1 -75.1 170.2 -19.7 50.5 4.4 561 223 B D - 0 0 92 -3,-0.1 2,-0.6 1,-0.1 -1,-0.2 -0.292 34.8-144.5 -62.6 144.2 -20.1 53.6 2.2 562 224 B V - 0 0 12 -7,-0.1 66,-1.5 -6,-0.0 2,-0.2 -0.903 20.4-161.6-118.0 97.3 -23.3 54.0 0.1 563 225 B Y E -t 628 0I 91 -2,-0.6 2,-0.4 64,-0.2 66,-0.2 -0.495 6.5-155.4 -79.9 149.7 -22.4 55.7 -3.1 564 226 B I E -t 629 0I 2 64,-1.3 66,-2.5 -2,-0.2 2,-1.4 -0.985 18.4-130.9-127.3 118.4 -25.0 57.4 -5.4 565 227 B N E S-t 630 0I 34 -2,-0.4 68,-0.5 64,-0.2 2,-0.3 -0.522 78.1 -25.5 -71.4 91.6 -24.2 57.8 -9.2 566 228 B G S S- 0 0 7 64,-1.9 64,-0.3 -2,-1.4 -2,-0.1 -0.808 118.6 -24.8 103.9-147.3 -25.0 61.5 -9.8 567 229 B D S S- 0 0 65 -2,-0.3 -1,-0.1 62,-0.1 -2,-0.1 0.353 78.3-115.6 -90.2 0.7 -27.4 63.8 -7.7 568 230 B G S S+ 0 0 1 -3,-0.2 42,-2.2 1,-0.1 41,-0.4 0.464 93.0 103.1 80.8 2.2 -29.7 61.0 -6.4 569 231 B E + 0 0 91 40,-0.2 -1,-0.1 39,-0.2 -3,-0.1 0.572 43.6 118.4 -92.0 -12.3 -32.7 62.4 -8.3 570 232 B T - 0 0 3 -5,-0.1 39,-2.0 38,-0.1 2,-0.3 -0.317 57.1-150.0 -52.1 135.5 -32.4 59.6 -10.9 571 233 B S E +U 608 0J 0 67,-1.5 69,-0.4 37,-0.2 2,-0.3 -0.892 19.7 179.5-125.1 154.3 -35.8 57.7 -10.5 572 234 B R E -U 607 0J 25 35,-2.2 35,-2.6 -2,-0.3 2,-0.7 -0.937 34.0-123.5-149.8 161.2 -37.0 54.2 -11.0 573 235 B D - 0 0 0 -2,-0.3 2,-0.2 33,-0.2 33,-0.1 -0.797 35.8-158.3-110.4 80.6 -40.0 51.8 -10.8 574 236 B F - 0 0 10 -2,-0.7 2,-0.5 28,-0.1 -40,-0.2 -0.466 8.5-166.0 -71.9 128.7 -38.7 49.2 -8.5 575 237 B C E -s 534 0H 0 -42,-2.1 -40,-1.1 -43,-0.7 83,-0.1 -0.955 16.0-131.0-130.2 114.8 -40.7 46.0 -9.0 576 238 B Y E >> -s 535 0H 3 81,-0.6 3,-1.5 -2,-0.5 4,-0.7 -0.293 28.0-114.0 -65.7 143.8 -40.5 43.1 -6.5 577 239 B I H >> S+ 0 0 0 -42,-2.2 4,-2.7 1,-0.3 3,-0.8 0.754 109.0 68.7 -52.2 -38.6 -39.9 39.6 -8.1 578 240 B D H 3> S+ 0 0 56 1,-0.3 4,-2.4 2,-0.2 -1,-0.3 0.857 98.9 52.7 -54.2 -38.1 -43.3 38.1 -7.2 579 241 B N H <> S+ 0 0 0 -3,-1.5 4,-1.9 2,-0.2 -1,-0.3 0.847 110.7 47.8 -58.0 -41.3 -44.9 40.6 -9.7 580 242 B V H < S+ 0 0 1 -4,-2.6 3,-1.2 1,-0.2 -2,-0.2 0.913 104.9 56.3 -61.4 -40.3 -47.9 35.3 -20.4 588 250 B A H 3< S+ 0 0 1 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.791 119.0 31.3 -61.9 -32.8 -47.3 31.6 -20.7 589 251 B L T 3< S+ 0 0 46 -4,-1.1 -1,-0.3 -3,-0.4 -2,-0.2 0.208 90.0 140.8-111.8 15.9 -51.0 30.8 -20.7 590 252 B A < - 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0 0 2 38,-0.1 39,-2.1 69,-0.1 2,-0.3 -0.308 56.6-153.6 -44.2 131.5 -17.0 -15.3 -43.6 1247 233 D S E -Pq12841315T 1 67,-2.1 69,-0.7 37,-0.2 2,-0.3 -0.886 19.0-175.0-127.2 152.2 -16.0 -11.6 -43.4 1248 234 D R E -P 1283 0T 28 35,-2.5 35,-2.4 -2,-0.3 2,-1.0 -0.942 32.5-121.4-138.5 159.6 -17.2 -8.2 -44.7 1249 235 D D - 0 0 1 -2,-0.3 2,-0.2 33,-0.2 33,-0.2 -0.751 38.6-157.4-101.0 81.3 -16.2 -4.5 -44.8 1250 236 D F - 0 0 10 -2,-1.0 2,-0.5 28,-0.1 -40,-0.2 -0.491 5.6-158.3 -70.4 131.4 -19.2 -3.1 -43.0 1251 237 D C E -n 1210 0R 0 -42,-2.7 -40,-2.3 -43,-0.5 83,-0.1 -0.933 12.0-133.6-123.9 107.7 -19.7 0.6 -43.7 1252 238 D Y E >> -n 1211 0R 4 81,-0.6 3,-1.6 -2,-0.5 4,-0.8 -0.332 27.0-118.0 -53.2 140.2 -21.6 3.1 -41.5 1253 239 D I H >> S+ 0 0 0 -42,-2.5 4,-2.4 1,-0.3 3,-1.3 0.840 109.1 64.7 -51.3 -46.7 -24.1 5.3 -43.5 1254 240 D D H 3> S+ 0 0 56 1,-0.3 4,-2.0 2,-0.2 -1,-0.3 0.809 99.1 54.2 -52.3 -31.4 -22.4 8.5 -42.6 1255 241 D N H <> S+ 0 0 0 -3,-1.6 4,-2.0 2,-0.2 -1,-0.3 0.883 110.1 47.0 -64.9 -39.3 -19.3 7.4 -44.5 1256 242 D V H < S+ 0 0 1 -4,-2.1 3,-1.7 -5,-0.2 -1,-0.2 0.884 105.0 58.3 -69.3 -41.5 -18.3 13.1 -55.4 1264 250 D A H 3< S+ 0 0 2 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.888 117.3 33.9 -54.7 -38.7 -21.1 15.6 -56.2 1265 251 D L T 3< S+ 0 0 56 -4,-2.0 -1,-0.3 -5,-0.1 -2,-0.2 0.127 89.3 136.6-106.5 23.4 -18.6 18.4 -55.9 1266 252 D A < - 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0 0 173 -2,-0.2 -1,-0.2 -66,-0.1 -65,-0.1 -0.380 62.4-101.8 -62.2 142.0 -25.5 -24.1 -44.7 1308 298 D F - 0 0 101 -67,-0.1 -66,-0.2 1,-0.1 -1,-0.1 -0.370 49.1 -99.8 -48.2 138.8 -23.5 -21.3 -46.4 1309 299 D R > - 0 0 123 -68,-0.7 3,-1.4 1,-0.1 2,-0.4 -0.440 47.5 -95.9 -66.3 145.3 -25.7 -19.3 -48.6 1310 300 D S T 3 S+ 0 0 104 1,-0.3 -1,-0.1 -2,-0.1 -3,-0.0 -0.498 105.9 7.0 -70.8 122.7 -25.4 -20.3 -52.3 1311 301 D G T 3 S+ 0 0 72 -2,-0.4 -1,-0.3 1,-0.2 -134,-0.1 0.683 93.0 163.1 82.5 17.4 -23.0 -18.1 -54.3 1312 302 D D < - 0 0 44 -3,-1.4 2,-0.5 1,-0.1 -1,-0.2 -0.324 41.7-116.4 -65.0 148.8 -21.9 -16.3 -51.1 1313 303 D V - 0 0 58 1,-0.2 3,-0.1 -2,-0.0 -1,-0.1 -0.769 18.1-154.2 -84.2 129.5 -18.7 -14.3 -51.0 1314 304 D R S S+ 0 0 100 -2,-0.5 -67,-2.1 1,-0.3 2,-0.4 0.977 74.4 7.4 -69.1 -57.0 -16.1 -15.7 -48.6 1315 305 D H B -q 1247 0T 73 -69,-0.2 2,-0.4 2,-0.0 -1,-0.3 -0.982 62.4-176.5-132.6 141.0 -14.2 -12.5 -47.8 1316 306 D S + 0 0 3 -69,-0.7 2,-0.3 -2,-0.4 -150,-0.1 -0.989 14.9 150.5-141.3 126.7 -14.8 -8.9 -48.7 1317 307 D Q - 0 0 27 -2,-0.4 -149,-3.5 -69,-0.1 2,-0.3 -0.951 29.5-139.4-155.2 133.8 -12.6 -5.9 -47.9 1318 308 D A B -m 1168 0Q 1 -2,-0.3 2,-0.6 -37,-0.3 -149,-0.1 -0.711 7.7-141.3 -94.7 150.7 -12.1 -2.7 -49.8 1319 309 D D - 0 0 43 -151,-2.1 -43,-0.3 -2,-0.3 -149,-0.3 -0.965 23.2-179.2 -99.1 117.1 -8.9 -0.7 -50.5 1320 310 D V > + 0 0 10 -2,-0.6 4,-2.3 1,-0.2 3,-0.2 0.252 47.0 108.3-102.8 16.3 -10.1 2.8 -50.1 1321 311 D T H > S+ 0 0 82 1,-0.2 4,-3.5 2,-0.2 5,-0.2 0.860 75.2 58.3 -66.9 -34.1 -6.9 4.7 -50.8 1322 312 D K H > S+ 0 0 45 -3,-0.3 4,-2.8 1,-0.2 5,-0.5 0.933 110.3 43.6 -57.5 -45.2 -8.1 5.9 -54.2 1323 313 D A H > S+ 0 0 0 -3,-0.2 6,-2.0 2,-0.2 4,-1.4 0.890 115.4 48.5 -60.6 -44.9 -11.0 7.6 -52.4 1324 314 D I H X S+ 0 0 77 -4,-2.3 4,-0.7 4,-0.3 -2,-0.2 0.946 118.8 42.1 -61.1 -43.5 -8.7 8.9 -49.7 1325 315 D D H < S+ 0 0 98 -4,-3.5 -2,-0.2 -5,-0.2 -3,-0.2 0.948 125.3 25.1 -70.6 -58.8 -6.3 10.2 -52.3 1326 316 D L H < S+ 0 0 64 -4,-2.8 -3,-0.2 -5,-0.2 -1,-0.2 0.724 134.8 28.9 -86.2 -26.7 -8.5 11.7 -55.1 1327 317 D L H < S- 0 0 8 -4,-1.4 -3,-0.2 -5,-0.5 -2,-0.2 0.456 100.2-121.2-113.5 -5.7 -11.6 12.7 -53.2 1328 318 D K < + 0 0 91 -4,-0.7 -309,-0.4 -5,-0.4 -310,-0.3 0.773 46.7 178.2 59.9 35.6 -10.1 13.3 -49.7 1329 319 D Y - 0 0 3 -6,-2.0 -1,-0.2 -9,-0.1 -2,-0.1 -0.322 17.8-160.3 -60.3 144.0 -12.4 10.7 -48.1 1330 320 D R - 0 0 107 -75,-0.1 2,-2.3 -314,-0.1 3,-0.2 -0.907 8.6-155.7-131.9 103.0 -12.0 10.0 -44.4 1331 321 D P + 0 0 29 0, 0.0 -76,-0.1 0, 0.0 -2,-0.0 -0.449 35.9 154.0 -74.5 72.2 -13.4 6.7 -43.2 1332 322 D N + 0 0 60 -2,-2.3 2,-0.8 1,-0.1 -53,-0.0 0.693 45.8 71.8 -88.0 -18.0 -13.8 7.9 -39.7 1333 323 D I - 0 0 18 -3,-0.2 -81,-0.6 -81,-0.1 -1,-0.1 -0.836 66.1-166.3-102.3 112.1 -16.6 5.7 -38.4 1334 324 D K > - 0 0 100 -2,-0.8 4,-2.8 -83,-0.1 5,-0.3 -0.337 38.5 -92.9 -83.5 168.0 -15.7 2.1 -37.8 1335 325 D I H > S+ 0 0 15 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.867 122.2 50.8 -49.2 -50.2 -18.0 -0.9 -37.3 1336 326 D R H > S+ 0 0 121 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.957 114.6 42.0 -54.6 -57.2 -18.0 -0.6 -33.4 1337 327 D E H > S+ 0 0 82 1,-0.2 4,-2.2 2,-0.2 -2,-0.2 0.933 114.8 51.8 -55.7 -45.9 -18.8 3.1 -33.4 1338 328 D G H X S+ 0 0 0 -4,-2.8 4,-2.1 1,-0.3 -1,-0.2 0.887 108.2 50.8 -65.1 -38.1 -21.4 2.8 -36.1 1339 329 D L H X S+ 0 0 0 -4,-2.6 4,-1.9 -5,-0.3 -1,-0.3 0.883 109.1 51.7 -69.3 -36.3 -23.1 -0.0 -34.4 1340 330 D R H < S+ 0 0 130 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.880 110.7 48.5 -59.8 -39.4 -23.3 2.1 -31.2 1341 331 D L H < S+ 0 0 79 -4,-2.2 4,-0.5 1,-0.2 -2,-0.2 0.870 115.9 43.4 -74.1 -31.3 -24.8 4.9 -33.2 1342 332 D S H X S+ 0 0 1 -4,-2.1 4,-1.6 -5,-0.2 3,-0.3 0.762 92.3 79.4 -85.3 -29.2 -27.4 2.7 -34.9 1343 333 D M H X S+ 0 0 2 -4,-1.9 4,-2.4 1,-0.2 3,-0.3 0.900 92.0 50.2 -53.6 -44.6 -28.6 0.5 -32.0 1344 334 D P H > S+ 0 0 45 0, 0.0 4,-2.6 0, 0.0 -1,-0.2 0.914 106.3 56.5 -59.4 -40.8 -31.0 3.2 -30.4 1345 335 D W H > S+ 0 0 22 -4,-0.5 4,-2.2 -3,-0.3 -2,-0.2 0.862 109.2 47.2 -57.3 -37.9 -32.7 3.8 -33.8 1346 336 D Y H X S+ 0 0 0 -4,-1.6 4,-2.2 -3,-0.3 -1,-0.2 0.922 108.1 53.6 -71.2 -44.1 -33.5 0.0 -34.0 1347 337 D V H X S+ 0 0 26 -4,-2.4 4,-1.3 1,-0.2 -2,-0.2 0.962 114.5 43.3 -53.2 -52.0 -34.8 -0.1 -30.4 1348 338 D R H >< S+ 0 0 163 -4,-2.6 3,-0.6 1,-0.2 -2,-0.2 0.932 113.5 49.9 -52.2 -56.1 -37.2 2.8 -31.2 1349 339 D F H 3< S+ 0 0 62 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.806 115.0 44.4 -61.7 -30.4 -38.2 1.4 -34.6 1350 340 D L H 3< 0 0 60 -4,-2.2 -1,-0.2 -3,-0.1 -2,-0.2 0.637 360.0 360.0 -94.7 -16.7 -39.0 -2.0 -33.2 1351 341 D K << 0 0 212 -4,-1.3 -3,-0.0 -3,-0.6 -4,-0.0 -0.238 360.0 360.0 -74.1 360.0 -41.0 -1.4 -29.9