==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=1-APR-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 03-MAR-10 3M0F . COMPND 2 MOLECULE: UNCHARACTERIZED PROTEIN GST_N; . SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOMONAS FLUORESCENS; . AUTHOR R.AGARWAL,S.K.BURLEY,S.SWAMINATHAN,NEW YORK SGX RESEARCH . 405 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16728.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 283 69.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 8 2.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 16 4.0 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 0.5 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 . 15 3.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 38 9.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 202 49.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 0.5 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 2 0 0 2 0 0 2 0 2 2 0 0 2 0 0 0 0 0 0 0 2 0 0 0 0 2 0 RESIDUES PER ALPHA HELIX . 0 0 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 0 0 0 PARALLEL BRIDGES PER LADDER . 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 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 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 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 3 A L 0 0 24 0, 0.0 26,-2.7 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 141.2 6.9 22.7 11.9 2 4 A K E -aB 27 53A 86 51,-2.2 51,-2.7 24,-0.2 2,-0.6 -0.989 360.0-156.3-130.3 131.0 7.2 23.2 15.7 3 5 A L E -aB 28 52A 0 24,-2.9 26,-2.6 -2,-0.4 2,-0.5 -0.925 13.8-161.4-105.1 119.8 10.3 24.1 17.7 4 6 A I E +aB 29 51A 2 47,-3.5 47,-1.7 -2,-0.6 2,-0.2 -0.899 45.2 62.0-106.7 123.4 10.1 23.1 21.3 5 7 A G S S- 0 0 0 24,-2.0 2,-0.4 -2,-0.5 27,-0.2 -0.778 80.0 -75.1 148.0 167.4 12.4 24.7 23.9 6 8 A M > - 0 0 57 -2,-0.2 3,-1.9 25,-0.2 6,-0.3 -0.776 32.0-133.3 -96.0 139.6 13.4 28.0 25.5 7 9 A L T 3 S+ 0 0 29 -2,-0.4 6,-0.1 1,-0.3 196,-0.1 0.558 100.4 75.2 -68.6 -6.5 15.6 30.4 23.5 8 10 A D T 3 S+ 0 0 70 4,-0.1 -1,-0.3 5,-0.0 194,-0.1 0.614 79.3 86.2 -80.7 -7.6 17.9 30.9 26.4 9 11 A S S <> S- 0 0 26 -3,-1.9 4,-2.6 1,-0.1 5,-0.2 -0.791 77.8-146.0 -87.1 127.6 19.3 27.4 25.5 10 12 A P H > S+ 0 0 3 0, 0.0 4,-2.2 0, 0.0 5,-0.2 0.816 98.8 56.0 -65.8 -26.8 22.0 27.9 22.9 11 13 A Y H > S+ 0 0 56 2,-0.2 4,-1.0 1,-0.2 5,-0.1 0.891 111.0 42.7 -71.2 -39.1 21.0 24.6 21.3 12 14 A V H > S+ 0 0 0 -6,-0.3 4,-2.3 2,-0.2 3,-0.2 0.913 114.8 51.6 -71.7 -42.5 17.4 25.8 20.9 13 15 A R H X S+ 0 0 7 -4,-2.6 4,-2.7 -7,-0.3 5,-0.3 0.879 104.4 54.3 -64.2 -38.6 18.5 29.2 19.7 14 16 A R H X S+ 0 0 6 -4,-2.2 4,-1.7 1,-0.2 -1,-0.2 0.855 111.4 47.2 -65.2 -31.4 20.8 28.0 17.0 15 17 A V H X S+ 0 0 0 -4,-1.0 4,-2.8 -3,-0.2 -2,-0.2 0.919 110.6 51.5 -73.5 -43.6 18.0 26.0 15.6 16 18 A A H X S+ 0 0 2 -4,-2.3 4,-1.9 1,-0.2 -2,-0.2 0.934 114.4 42.5 -58.0 -47.2 15.6 28.9 15.7 17 19 A I H X S+ 0 0 0 -4,-2.7 4,-2.5 1,-0.2 -1,-0.2 0.857 112.9 53.4 -70.2 -31.7 18.0 31.2 13.9 18 20 A S H X S+ 0 0 0 -4,-1.7 4,-2.1 -5,-0.3 -2,-0.2 0.896 107.1 52.9 -67.9 -39.3 18.9 28.4 11.4 19 21 A L H X>S+ 0 0 0 -4,-2.8 5,-2.2 2,-0.2 4,-0.8 0.933 112.9 42.8 -59.6 -48.8 15.2 28.0 10.7 20 22 A K H ><5S+ 0 0 82 -4,-1.9 3,-0.7 1,-0.2 -2,-0.2 0.907 113.7 51.7 -65.6 -41.4 14.8 31.7 9.9 21 23 A S H 3<5S+ 0 0 43 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.820 110.4 49.2 -65.5 -30.6 18.0 31.8 8.0 22 24 A L H 3<5S- 0 0 2 -4,-2.1 -1,-0.2 -5,-0.1 -2,-0.2 0.598 113.9-118.0 -84.2 -11.5 16.8 28.8 5.9 23 25 A G T <<5 + 0 0 42 -4,-0.8 -3,-0.2 -3,-0.7 -2,-0.1 0.660 64.1 143.6 83.6 19.3 13.5 30.4 5.2 24 26 A L < - 0 0 27 -5,-2.2 -1,-0.2 -6,-0.2 -2,-0.1 -0.811 44.5-136.5 -97.1 117.8 11.4 27.7 6.9 25 27 A P + 0 0 113 0, 0.0 2,-0.3 0, 0.0 -5,-0.0 -0.333 34.2 162.8 -69.0 151.7 8.3 29.0 8.7 26 28 A F - 0 0 54 -23,-0.0 2,-0.4 -24,-0.0 -24,-0.2 -0.994 38.3-114.8-163.2 163.9 7.6 27.4 12.2 27 29 A E E -a 2 0A 107 -26,-2.7 -24,-2.9 -2,-0.3 2,-0.6 -0.872 27.2-145.0-104.2 138.4 5.7 27.7 15.5 28 30 A H E -a 3 0A 74 -2,-0.4 2,-0.8 -26,-0.2 -24,-0.2 -0.921 10.9-169.6-108.8 118.9 7.8 28.2 18.6 29 31 A H E -a 4 0A 62 -26,-2.6 -24,-2.0 -2,-0.6 2,-1.3 -0.898 16.1-147.8-107.5 102.8 6.5 26.6 21.8 30 32 A S + 0 0 70 -2,-0.8 2,-0.4 -26,-0.2 -24,-0.2 -0.575 37.3 153.0 -74.0 93.9 8.5 28.0 24.7 31 33 A L - 0 0 22 -2,-1.3 2,-0.4 8,-0.0 -25,-0.2 -0.952 36.4-134.6-124.9 147.2 8.7 25.0 27.1 32 34 A S > - 0 0 18 -2,-0.4 4,-1.1 -27,-0.2 8,-0.3 -0.836 7.0-146.7-104.4 137.2 11.3 24.2 29.7 33 35 A V T 4 S+ 0 0 20 -2,-0.4 -1,-0.1 2,-0.1 8,-0.0 0.604 103.2 34.0 -73.1 -9.6 12.8 20.7 30.2 34 36 A F T >4 S+ 0 0 74 2,-0.1 3,-0.6 3,-0.0 -1,-0.1 0.818 124.2 33.4-110.8 -50.3 13.0 21.6 33.9 35 37 A S T 34 S+ 0 0 97 1,-0.2 -2,-0.1 2,-0.1 3,-0.1 0.552 129.7 33.7 -89.0 -9.9 10.1 23.8 34.9 36 38 A T T 3X S+ 0 0 36 -4,-1.1 4,-2.2 1,-0.1 5,-0.2 -0.304 75.1 149.5-136.5 48.5 7.5 22.3 32.6 37 39 A F H <> S+ 0 0 62 -3,-0.6 4,-3.1 1,-0.2 5,-0.2 0.870 70.2 47.5 -50.1 -50.9 8.7 18.7 32.6 38 40 A E H > S+ 0 0 128 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.887 112.0 49.8 -63.3 -41.2 5.3 17.1 32.1 39 41 A Q H > S+ 0 0 122 2,-0.2 4,-0.5 1,-0.2 -1,-0.2 0.882 115.6 43.2 -65.2 -38.9 4.4 19.4 29.2 40 42 A F H >X S+ 0 0 0 -4,-2.2 4,-2.7 -8,-0.3 3,-1.5 0.928 111.1 54.5 -71.5 -45.3 7.7 18.8 27.5 41 43 A K H 3< S+ 0 0 95 -4,-3.1 -2,-0.2 1,-0.3 -1,-0.2 0.818 99.2 63.8 -56.5 -32.7 7.6 15.0 28.2 42 44 A A H 3< S+ 0 0 87 -4,-1.7 -1,-0.3 -5,-0.2 -2,-0.2 0.774 112.6 34.5 -64.7 -26.3 4.1 14.9 26.5 43 45 A I H << S+ 0 0 54 -3,-1.5 -2,-0.2 -4,-0.5 -1,-0.2 0.865 139.4 10.8 -93.9 -45.7 5.7 16.0 23.2 44 46 A N >< - 0 0 0 -4,-2.7 3,-1.9 1,-0.1 -1,-0.3 -0.917 64.1-159.0-137.2 106.1 9.1 14.1 23.6 45 47 A P T 3 S+ 0 0 42 0, 0.0 293,-0.2 0, 0.0 294,-0.1 0.662 92.1 63.6 -60.8 -16.6 9.4 11.6 26.4 46 48 A V T 3 S- 0 0 0 292,-0.2 293,-0.1 -6,-0.1 -5,-0.1 0.717 98.8-143.5 -77.5 -20.5 13.2 11.8 26.4 47 49 A V < + 0 0 1 -3,-1.9 2,-0.4 -7,-0.2 -6,-0.1 0.968 42.5 148.4 55.2 64.4 12.8 15.5 27.4 48 50 A K - 0 0 49 -8,-0.1 -1,-0.2 -4,-0.1 -2,-0.1 -0.989 41.1-111.1-127.3 134.6 15.6 17.0 25.4 49 51 A A S S+ 0 0 27 -2,-0.4 14,-0.1 12,-0.1 -37,-0.1 -0.935 92.1 43.9-117.6 138.3 15.6 20.6 24.0 50 52 A P S S+ 0 0 2 0, 0.0 12,-0.7 0, 0.0 2,-0.4 0.488 72.7 172.4 -76.6 153.7 15.5 21.6 21.2 51 53 A T E -BC 4 61A 0 -47,-1.7 -47,-3.5 10,-0.2 2,-0.5 -0.986 16.1-155.7-126.3 136.3 12.8 19.1 20.0 52 54 A L E -BC 3 60A 0 8,-2.6 8,-2.6 -2,-0.4 2,-0.6 -0.973 2.7-156.9-117.5 127.8 11.4 19.6 16.5 53 55 A V E -BC 2 59A 24 -51,-2.7 -51,-2.2 -2,-0.5 6,-0.2 -0.919 21.3-144.5-102.6 119.1 8.0 18.3 15.6 54 56 A C > - 0 0 5 4,-3.0 3,-2.0 -2,-0.6 -51,-0.0 -0.205 29.3 -93.2 -78.9 172.7 7.8 17.8 11.8 55 57 A E T 3 S+ 0 0 153 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.834 127.9 47.6 -53.4 -38.1 4.7 18.4 9.5 56 58 A G T 3 S- 0 0 63 2,-0.1 -1,-0.3 1,-0.0 -2,-0.0 0.443 124.8-102.2 -85.1 -0.3 3.8 14.7 9.8 57 59 A G < + 0 0 42 -3,-2.0 -2,-0.1 1,-0.3 2,-0.1 0.402 69.6 151.5 96.5 -3.5 4.2 14.8 13.6 58 60 A E - 0 0 81 -5,-0.1 -4,-3.0 1,-0.1 2,-0.5 -0.372 39.7-134.1 -63.8 140.5 7.6 13.0 13.7 59 61 A V E -C 53 0A 23 -6,-0.2 2,-0.3 -2,-0.1 -6,-0.2 -0.859 24.8-178.9-104.1 126.1 9.7 14.0 16.7 60 62 A L E -C 52 0A 1 -8,-2.6 -8,-2.6 -2,-0.5 2,-0.3 -0.922 2.0-175.2-122.8 148.9 13.4 14.9 16.3 61 63 A M E +C 51 0A 5 -2,-0.3 -10,-0.2 235,-0.2 4,-0.1 -0.828 43.2 66.4-134.9 173.1 16.0 15.9 18.8 62 64 A D S > S- 0 0 58 -12,-0.7 4,-2.5 -2,-0.3 3,-0.4 0.788 70.6-121.2 77.1 112.3 19.7 17.1 18.9 63 65 A S H > S+ 0 0 7 1,-0.2 4,-2.0 2,-0.2 5,-0.1 0.814 109.5 50.4 -52.3 -38.7 20.3 20.5 17.4 64 66 A S H > S+ 0 0 17 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.895 112.9 45.3 -70.5 -38.0 22.8 19.2 14.7 65 67 A L H > S+ 0 0 14 -3,-0.4 4,-2.2 2,-0.2 -2,-0.2 0.871 112.0 52.9 -71.4 -35.7 20.5 16.4 13.5 66 68 A I H X S+ 0 0 0 -4,-2.5 4,-2.7 1,-0.2 -2,-0.2 0.920 110.2 48.0 -63.9 -42.3 17.5 18.8 13.5 67 69 A I H X S+ 0 0 11 -4,-2.0 4,-2.9 -5,-0.2 -1,-0.2 0.857 107.3 55.6 -68.5 -32.7 19.6 21.2 11.3 68 70 A D H X S+ 0 0 36 -4,-1.8 4,-1.9 2,-0.2 -1,-0.2 0.930 110.3 46.7 -63.7 -43.0 20.6 18.4 9.0 69 71 A Y H X S+ 0 0 16 -4,-2.2 4,-2.5 1,-0.2 -2,-0.2 0.940 113.1 48.2 -63.2 -47.0 16.9 17.7 8.5 70 72 A L H X S+ 0 0 0 -4,-2.7 4,-2.6 1,-0.2 -2,-0.2 0.884 108.9 53.5 -61.7 -39.2 16.1 21.4 8.0 71 73 A E H X S+ 0 0 31 -4,-2.9 4,-1.7 1,-0.2 -1,-0.2 0.891 111.0 47.5 -61.8 -39.1 19.0 21.7 5.5 72 74 A T H < S+ 0 0 34 -4,-1.9 -2,-0.2 2,-0.2 -1,-0.2 0.906 112.3 48.6 -68.1 -42.6 17.5 18.8 3.6 73 75 A L H < S+ 0 0 62 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.883 113.6 47.5 -64.4 -39.0 14.0 20.2 3.6 74 76 A A H < S- 0 0 22 -4,-2.6 -1,-0.2 -5,-0.2 -2,-0.2 0.772 108.4-127.5 -74.7 -29.7 15.3 23.6 2.5 75 77 A G >< - 0 0 19 -4,-1.7 3,-1.9 -5,-0.2 4,-0.3 0.081 29.1 -74.5 95.6 152.0 17.5 22.3 -0.4 76 78 A P G > S+ 0 0 126 0, 0.0 3,-1.2 0, 0.0 -1,-0.1 0.766 122.1 69.7 -53.0 -31.2 21.1 22.9 -1.3 77 79 A Q G 3 S+ 0 0 182 1,-0.3 -2,-0.1 -3,-0.1 -3,-0.0 0.764 105.2 40.9 -60.6 -25.3 20.5 26.5 -2.5 78 80 A R G < S+ 0 0 131 -3,-1.9 -1,-0.3 -7,-0.2 -3,-0.1 0.386 83.2 143.0-105.8 4.0 19.8 27.6 1.0 79 81 A S < - 0 0 36 -3,-1.2 4,-0.1 -4,-0.3 -8,-0.0 -0.059 42.7-155.9 -49.6 139.3 22.5 25.7 2.8 80 82 A L S S+ 0 0 14 75,-0.1 76,-2.5 2,-0.1 77,-0.4 0.320 76.9 79.1 -96.0 6.4 24.2 27.5 5.8 81 83 A M S S- 0 0 23 74,-0.2 7,-0.1 75,-0.1 -2,-0.1 -0.926 81.1-125.2-119.3 137.8 27.2 25.2 5.1 82 84 A P - 0 0 44 0, 0.0 -2,-0.1 0, 0.0 9,-0.0 -0.417 15.6-154.3 -72.4 158.7 29.9 25.5 2.5 83 85 A T + 0 0 113 -2,-0.1 2,-0.1 -4,-0.1 6,-0.0 0.715 62.3 98.1-107.4 -27.1 30.3 22.4 0.3 84 86 A A S > S- 0 0 53 1,-0.1 4,-3.3 4,-0.1 5,-0.3 -0.405 81.4-120.9 -61.7 135.6 34.0 22.6 -0.8 85 87 A L H > S+ 0 0 73 2,-0.2 4,-2.9 1,-0.2 5,-0.2 0.886 107.0 45.1 -47.8 -54.2 36.1 20.4 1.5 86 88 A P H > S+ 0 0 87 0, 0.0 4,-2.3 0, 0.0 -1,-0.2 0.970 119.3 41.7 -56.6 -55.5 38.5 23.0 2.8 87 89 A Q H > S+ 0 0 102 1,-0.2 4,-2.1 2,-0.2 -2,-0.2 0.871 116.9 47.3 -59.5 -42.9 35.8 25.6 3.5 88 90 A R H X S+ 0 0 36 -4,-3.3 4,-2.8 2,-0.2 -1,-0.2 0.902 109.7 54.4 -68.3 -39.1 33.4 23.0 4.9 89 91 A L H X S+ 0 0 13 -4,-2.9 4,-2.0 -5,-0.3 -2,-0.2 0.937 109.6 47.2 -58.0 -47.9 36.1 21.5 7.1 90 92 A R H X S+ 0 0 32 -4,-2.3 4,-2.3 1,-0.2 -1,-0.2 0.906 111.4 51.3 -60.3 -43.7 36.8 24.9 8.6 91 93 A E H X S+ 0 0 26 -4,-2.1 4,-2.6 1,-0.2 5,-0.2 0.928 109.0 50.5 -60.1 -46.1 33.1 25.5 9.2 92 94 A L H X S+ 0 0 1 -4,-2.8 4,-2.4 1,-0.2 173,-0.2 0.863 109.0 52.0 -60.9 -37.5 32.8 22.2 10.9 93 95 A R H X S+ 0 0 21 -4,-2.0 4,-2.6 2,-0.2 -1,-0.2 0.940 110.7 47.2 -65.5 -46.0 35.7 23.0 13.2 94 96 A L H X S+ 0 0 1 -4,-2.3 4,-2.6 1,-0.2 -2,-0.2 0.920 113.8 47.2 -61.8 -44.5 34.2 26.4 14.2 95 97 A V H X S+ 0 0 2 -4,-2.6 4,-2.8 1,-0.2 -1,-0.2 0.901 111.4 52.6 -64.0 -38.9 30.8 24.8 14.9 96 98 A G H X S+ 0 0 2 -4,-2.4 4,-1.8 -5,-0.2 -2,-0.2 0.930 111.4 45.1 -62.4 -45.3 32.5 22.0 16.9 97 99 A L H X S+ 0 0 0 -4,-2.6 4,-2.1 2,-0.2 -2,-0.2 0.914 113.8 50.0 -64.3 -42.8 34.4 24.5 19.0 98 100 A A H X S+ 0 0 0 -4,-2.6 4,-1.9 1,-0.2 -2,-0.2 0.899 111.1 48.6 -63.9 -40.8 31.2 26.6 19.5 99 101 A L H X S+ 0 0 10 -4,-2.8 4,-2.8 2,-0.2 -1,-0.2 0.835 109.1 53.9 -68.9 -30.3 29.2 23.6 20.5 100 102 A A H X S+ 0 0 4 -4,-1.8 4,-2.7 2,-0.2 5,-0.2 0.893 107.5 50.3 -68.9 -39.1 31.9 22.6 22.9 101 103 A A H X S+ 0 0 0 -4,-2.1 4,-2.2 2,-0.2 -2,-0.2 0.900 111.6 49.7 -64.9 -37.6 31.7 26.0 24.5 102 104 A C H X S+ 0 0 3 -4,-1.9 4,-2.7 2,-0.2 -2,-0.2 0.960 110.5 49.1 -63.7 -50.1 28.0 25.5 24.7 103 105 A E H X S+ 0 0 61 -4,-2.8 4,-2.3 1,-0.2 -2,-0.2 0.926 113.9 45.0 -55.7 -49.2 28.3 22.1 26.3 104 106 A K H X S+ 0 0 4 -4,-2.7 4,-1.7 2,-0.2 -1,-0.2 0.871 112.0 51.5 -65.8 -37.4 30.8 23.3 28.9 105 107 A S H X S+ 0 0 0 -4,-2.2 4,-2.2 -5,-0.2 -1,-0.2 0.923 112.3 47.4 -64.0 -43.2 28.8 26.4 29.8 106 108 A V H X S+ 0 0 20 -4,-2.7 4,-2.9 1,-0.2 -2,-0.2 0.888 108.2 54.7 -64.9 -39.9 25.7 24.2 30.3 107 109 A Q H X S+ 0 0 39 -4,-2.3 4,-2.2 -5,-0.2 -1,-0.2 0.855 108.8 48.7 -63.3 -34.1 27.7 21.8 32.4 108 110 A I H X S+ 0 0 0 -4,-1.7 4,-2.1 2,-0.2 5,-0.2 0.944 111.8 49.1 -69.0 -48.2 28.7 24.6 34.7 109 111 A V H X S+ 0 0 18 -4,-2.2 4,-2.0 1,-0.2 5,-0.3 0.925 113.5 47.0 -55.7 -47.6 25.1 25.9 34.9 110 112 A Y H X S+ 0 0 68 -4,-2.9 4,-2.5 1,-0.2 5,-0.2 0.902 109.6 52.3 -62.3 -44.5 23.9 22.4 35.7 111 113 A E H < S+ 0 0 7 -4,-2.2 4,-0.3 1,-0.2 -1,-0.2 0.883 117.1 39.8 -60.8 -39.1 26.5 21.7 38.4 112 114 A R H < S+ 0 0 85 -4,-2.1 -1,-0.2 -5,-0.1 -2,-0.2 0.738 126.8 29.7 -83.8 -26.0 25.7 24.9 40.2 113 115 A N H < S+ 0 0 123 -4,-2.0 -3,-0.2 -5,-0.2 -2,-0.2 0.652 111.3 56.4-111.5 -16.7 21.9 24.9 39.9 114 116 A L S < S+ 0 0 53 -4,-2.5 -3,-0.1 -5,-0.3 -2,-0.1 0.423 109.4 37.1 -98.1 2.6 20.6 21.3 39.7 115 117 A R S S- 0 0 22 -4,-0.3 5,-0.1 -5,-0.2 -1,-0.1 -0.992 90.5 -91.3-149.8 153.4 22.2 20.2 43.0 116 118 A P > - 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0 0 1 4,-3.0 3,-1.7 -2,-0.7 -51,-0.0 -0.201 28.3 -95.4 -77.1 170.9 42.6 15.5 9.2 259 57 B E T 3 S+ 0 0 157 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.882 126.4 48.8 -51.4 -44.9 45.2 15.0 6.6 260 58 B G T 3 S- 0 0 62 1,-0.1 -1,-0.3 2,-0.0 -2,-0.0 0.529 124.9-101.4 -76.0 -6.8 46.2 18.7 6.6 261 59 B G S < S+ 0 0 44 -3,-1.7 -2,-0.1 1,-0.3 -1,-0.1 0.305 70.8 149.3 105.0 -8.4 46.4 18.7 10.4 262 60 B E - 0 0 80 -5,-0.1 -4,-3.0 1,-0.1 2,-0.5 -0.293 40.2-136.0 -60.4 142.3 43.0 20.3 11.1 263 61 B V E -F 257 0B 21 -6,-0.2 2,-0.4 -8,-0.0 -6,-0.2 -0.904 23.2-177.8-108.9 123.1 41.4 19.2 14.4 264 62 B L E -F 256 0B 0 -8,-2.8 -8,-2.8 -2,-0.5 2,-0.3 -0.919 1.5-173.4-119.9 146.0 37.6 18.4 14.5 265 63 B M E +F 255 0B 6 -2,-0.4 -10,-0.2 -173,-0.2 4,-0.1 -0.809 44.2 64.8-130.9 172.6 35.4 17.4 17.4 266 64 B D S >> S- 0 0 58 -12,-0.7 4,-2.7 -2,-0.3 3,-0.6 0.812 71.0-121.5 76.5 110.8 31.8 16.2 18.0 267 65 B S H 3> S+ 0 0 7 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.821 109.6 50.9 -48.6 -42.4 31.0 12.8 16.5 268 66 B S H 3> S+ 0 0 18 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.883 112.7 45.0 -67.2 -39.2 28.1 14.1 14.3 269 67 B L H <> S+ 0 0 14 -3,-0.6 4,-2.2 2,-0.2 -2,-0.2 0.904 112.9 52.1 -70.4 -39.3 30.2 16.9 12.8 270 68 B I H X S+ 0 0 0 -4,-2.7 4,-2.6 1,-0.2 -2,-0.2 0.936 110.4 47.7 -60.8 -46.0 33.1 14.5 12.3 271 69 B I H X S+ 0 0 10 -4,-2.6 4,-3.0 -5,-0.2 -1,-0.2 0.872 107.8 56.1 -64.5 -33.2 30.8 12.0 10.5 272 70 B D H X S+ 0 0 39 -4,-1.8 4,-1.9 2,-0.2 -1,-0.2 0.934 109.4 46.7 -61.9 -45.1 29.4 14.9 8.4 273 71 B Y H X S+ 0 0 14 -4,-2.2 4,-2.2 1,-0.2 -2,-0.2 0.925 113.7 48.2 -61.8 -45.4 33.0 15.7 7.3 274 72 B L H X S+ 0 0 0 -4,-2.6 4,-2.7 1,-0.2 -2,-0.2 0.876 107.2 54.6 -64.0 -38.8 33.6 12.0 6.6 275 73 B E H X S+ 0 0 33 -4,-3.0 4,-1.7 1,-0.2 -1,-0.2 0.897 109.7 50.3 -60.2 -39.3 30.4 11.7 4.6 276 74 B T H < S+ 0 0 45 -4,-1.9 -2,-0.2 2,-0.2 -1,-0.2 0.905 111.2 45.8 -65.9 -46.2 31.7 14.6 2.5 277 75 B L H < S+ 0 0 62 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.924 114.1 50.3 -62.1 -45.6 35.1 13.0 1.9 278 76 B A H < S- 0 0 23 -4,-2.7 -2,-0.2 -5,-0.2 -1,-0.2 0.788 105.2-131.7 -66.0 -33.0 33.5 9.7 1.0 279 77 B G >X - 0 0 20 -4,-1.7 3,-1.4 -5,-0.2 4,-0.6 0.045 28.9 -72.0 95.7 155.2 31.0 10.9 -1.5 280 78 B P G >4 S+ 0 0 125 0, 0.0 3,-0.8 0, 0.0 -1,-0.1 0.778 125.0 62.7 -54.3 -33.8 27.2 10.3 -1.9 281 79 B Q G 34 S+ 0 0 158 1,-0.2 -2,-0.1 -3,-0.1 -3,-0.0 0.802 108.4 43.2 -64.3 -28.1 27.7 6.7 -3.2 282 80 B R G <4 S+ 0 0 129 -3,-1.4 -1,-0.2 -4,-0.2 -3,-0.1 0.496 85.3 137.4 -94.7 -6.5 29.2 5.8 0.2 283 81 B S << - 0 0 36 -3,-0.8 4,-0.1 -4,-0.6 -8,-0.0 -0.032 45.2-157.4 -47.7 139.3 26.7 7.6 2.3 284 82 B L S S+ 0 0 14 75,-0.1 76,-2.6 2,-0.1 77,-0.4 0.308 74.6 79.1 -97.0 6.5 25.4 5.9 5.5 285 83 B M S S- 0 0 25 74,-0.2 7,-0.1 75,-0.1 -2,-0.1 -0.909 81.6-120.6-120.4 142.0 22.4 8.2 5.3 286 84 B P - 0 0 38 0, 0.0 -2,-0.1 0, 0.0 73,-0.0 -0.385 16.4-157.2 -71.5 158.9 19.2 8.1 3.2 287 85 B T + 0 0 117 -4,-0.1 2,-0.2 -2,-0.0 5,-0.0 0.710 63.8 94.4-108.1 -33.4 18.6 11.1 1.0 288 86 B A S > S- 0 0 46 1,-0.1 4,-3.2 4,-0.1 5,-0.3 -0.440 82.3-123.3 -63.6 131.0 14.9 11.0 0.5 289 87 B L H > S+ 0 0 64 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.845 105.3 47.9 -43.7 -53.2 13.1 13.2 3.1 290 88 B P H > S+ 0 0 84 0, 0.0 4,-1.9 0, 0.0 -1,-0.2 0.932 118.9 40.6 -58.7 -45.2 10.8 10.6 4.7 291 89 B Q H > S+ 0 0 101 -3,-0.3 4,-2.3 2,-0.2 -2,-0.2 0.861 115.7 49.5 -71.3 -39.0 13.6 8.0 5.0 292 90 B R H X S+ 0 0 52 -4,-3.2 4,-2.8 2,-0.2 -1,-0.2 0.867 108.6 55.1 -69.8 -33.6 16.2 10.6 6.1 293 91 B L H X S+ 0 0 9 -4,-2.7 4,-2.2 -5,-0.3 -2,-0.2 0.956 110.0 45.3 -62.2 -49.4 13.8 11.9 8.7 294 92 B R H X S+ 0 0 39 -4,-1.9 4,-2.5 2,-0.2 -2,-0.2 0.914 112.7 51.1 -60.2 -44.1 13.4 8.4 10.2 295 93 B E H X S+ 0 0 15 -4,-2.3 4,-2.7 1,-0.2 5,-0.2 0.940 111.1 48.0 -59.2 -47.9 17.1 7.8 10.1 296 94 B L H X S+ 0 0 3 -4,-2.8 4,-2.3 1,-0.2 -235,-0.2 0.848 110.5 51.9 -62.6 -35.4 17.8 11.2 11.9 297 95 B R H X S+ 0 0 19 -4,-2.2 4,-1.9 2,-0.2 -1,-0.2 0.927 111.4 47.0 -67.1 -43.1 15.1 10.4 14.5 298 96 B L H X S+ 0 0 0 -4,-2.5 4,-2.2 2,-0.2 -2,-0.2 0.903 113.3 47.8 -64.0 -42.3 16.7 7.0 15.2 299 97 B V H X S+ 0 0 2 -4,-2.7 4,-2.8 1,-0.2 5,-0.2 0.911 110.4 53.0 -65.8 -39.6 20.2 8.5 15.4 300 98 B G H X S+ 0 0 2 -4,-2.3 4,-1.5 1,-0.2 -1,-0.2 0.867 110.4 46.5 -63.2 -36.7 18.9 11.2 17.7 301 99 B L H X S+ 0 0 0 -4,-1.9 4,-2.1 2,-0.2 -1,-0.2 0.893 112.5 50.5 -72.5 -39.4 17.4 8.7 20.1 302 100 B A H X S+ 0 0 0 -4,-2.2 4,-2.2 1,-0.2 -2,-0.2 0.916 111.7 47.3 -63.6 -44.7 20.5 6.6 20.1 303 101 B L H X S+ 0 0 11 -4,-2.8 4,-2.7 2,-0.2 -1,-0.2 0.820 109.1 54.3 -67.7 -30.9 22.7 9.6 20.9 304 102 B A H X S+ 0 0 7 -4,-1.5 4,-2.6 -5,-0.2 5,-0.2 0.908 108.3 49.9 -67.3 -39.9 20.3 10.6 23.6 305 103 B A H X S+ 0 0 0 -4,-2.1 4,-2.3 1,-0.2 -2,-0.2 0.917 111.0 49.3 -63.1 -42.4 20.7 7.1 25.1 306 104 B C H X S+ 0 0 2 -4,-2.2 4,-2.7 2,-0.2 5,-0.2 0.937 110.7 50.6 -60.6 -47.4 24.5 7.6 24.8 307 105 B E H X S+ 0 0 56 -4,-2.7 4,-2.1 1,-0.2 -2,-0.2 0.926 113.2 43.5 -57.4 -49.5 24.3 10.9 26.5 308 106 B K H X S+ 0 0 4 -4,-2.6 4,-1.6 2,-0.2 -1,-0.2 0.841 113.0 52.3 -68.1 -33.3 22.2 9.7 29.5 309 107 B S H X S+ 0 0 0 -4,-2.3 4,-2.2 -5,-0.2 -2,-0.2 0.940 111.3 46.8 -67.0 -45.4 24.3 6.6 29.8 310 108 B V H X S+ 0 0 25 -4,-2.7 4,-3.0 1,-0.2 -2,-0.2 0.876 109.0 55.5 -63.5 -37.0 27.5 8.6 30.0 311 109 B Q H X S+ 0 0 40 -4,-2.1 4,-2.3 -5,-0.2 -1,-0.2 0.860 107.4 48.9 -65.1 -34.6 25.9 11.0 32.5 312 110 B I H X S+ 0 0 1 -4,-1.6 4,-2.2 2,-0.2 -2,-0.2 0.938 112.3 48.7 -69.2 -44.6 25.1 8.1 34.8 313 111 B V H X S+ 0 0 23 -4,-2.2 4,-1.0 1,-0.2 5,-0.3 0.933 112.3 48.3 -59.2 -47.4 28.7 6.9 34.5 314 112 B Y H >X S+ 0 0 57 -4,-3.0 4,-2.6 1,-0.2 3,-0.7 0.919 110.3 50.9 -59.8 -45.9 30.1 10.4 35.2 315 113 B E H 3< S+ 0 0 6 -4,-2.3 4,-0.3 1,-0.2 -1,-0.2 0.895 114.9 44.0 -60.1 -40.3 27.9 10.9 38.2 316 114 B R H 3< S+ 0 0 84 -4,-2.2 -1,-0.2 -5,-0.1 -2,-0.2 0.546 126.9 25.4 -83.3 -10.1 29.0 7.5 39.7 317 115 B N H << S+ 0 0 117 -4,-1.0 -2,-0.2 -3,-0.7 -3,-0.2 0.625 110.7 57.7-128.9 -19.4 32.8 7.8 39.0 318 116 B L S < S+ 0 0 45 -4,-2.6 -3,-0.1 -5,-0.3 -2,-0.1 0.474 110.9 42.2 -93.8 -3.2 34.0 11.5 38.7 319 117 B R S S- 0 0 16 -5,-0.3 -1,-0.1 -4,-0.3 5,-0.1 -0.995 88.4-108.1-140.8 147.7 32.7 12.3 42.2 320 118 B P >> - 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