==== 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 TRANSFERASE 30-AUG-06 2DXQ . COMPND 2 MOLECULE: ACETYLTRANSFERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: AGROBACTERIUM TUMEFACIENS STR.; . AUTHOR T.A.BINKOWSKI,X.XU,A.EDWARDS,A.SAVCHENKO,A.JOACHIMIAK,MIDWES . 291 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12861.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 199 68.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 6 2.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 71 24.4 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 . 2 0.7 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 . 11 3.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 29 10.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 78 26.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 1.4 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 0 0 3 0 2 0 1 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 PARALLEL BRIDGES PER LADDER . 0 0 0 1 2 2 2 2 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 0 0 0 0 0 0 1 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 4 A D 0 0 194 0, 0.0 56,-0.3 0, 0.0 55,-0.1 0.000 360.0 360.0 360.0 170.9 -1.8 21.2 -3.0 2 5 A A + 0 0 46 1,-0.2 54,-2.9 54,-0.1 2,-0.4 0.783 360.0 30.0 -74.2 -32.2 -0.2 24.6 -3.6 3 6 A I E S+A 55 0A 104 52,-0.2 2,-0.3 53,-0.1 52,-0.2 -0.998 76.3 161.5-130.4 128.9 -0.9 25.9 -0.1 4 7 A S E -A 54 0A 50 50,-2.1 50,-2.7 -2,-0.4 2,-0.3 -0.904 26.7-151.9-141.3 173.0 -1.2 23.7 2.9 5 8 A L E +A 53 0A 53 -2,-0.3 2,-0.3 48,-0.2 48,-0.2 -0.975 34.5 135.1-146.8 127.2 -1.1 23.7 6.7 6 9 A R E -A 52 0A 89 46,-2.1 46,-2.9 -2,-0.3 2,-0.2 -0.970 55.0 -79.6-161.5 168.3 -0.0 20.8 8.8 7 10 A A E -A 51 0A 50 -2,-0.3 44,-0.3 44,-0.2 2,-0.1 -0.540 54.3-109.2 -71.0 146.5 2.0 19.6 11.8 8 11 A A + 0 0 13 42,-3.3 42,-0.2 -2,-0.2 -1,-0.1 -0.409 42.5 174.7 -72.6 155.5 5.7 19.2 11.1 9 12 A G > - 0 0 16 -2,-0.1 3,-2.2 0, 0.0 4,-0.3 -0.787 46.8 -52.0-147.4-169.2 7.3 15.7 10.9 10 13 A P G > S+ 0 0 115 0, 0.0 3,-1.4 0, 0.0 -2,-0.0 0.827 126.9 44.9 -38.9 -64.7 10.6 13.9 10.0 11 14 A G G 3 S+ 0 0 69 1,-0.3 4,-0.3 2,-0.1 -3,-0.0 0.494 97.4 77.2 -65.6 -3.8 11.4 15.4 6.6 12 15 A D G <> + 0 0 20 -3,-2.2 4,-2.4 1,-0.2 -1,-0.3 0.544 64.5 94.8 -86.2 -6.8 10.6 19.0 7.7 13 16 A L H <> S+ 0 0 7 -3,-1.4 4,-2.7 -4,-0.3 5,-0.2 0.894 81.7 49.5 -58.3 -49.2 13.8 19.6 9.6 14 17 A P H > S+ 0 0 58 0, 0.0 4,-1.9 0, 0.0 -1,-0.2 0.935 114.7 46.5 -54.0 -46.0 15.8 21.3 6.8 15 18 A G H > S+ 0 0 16 -4,-0.3 4,-1.7 1,-0.2 -2,-0.2 0.879 112.1 50.1 -63.9 -40.4 12.9 23.7 6.1 16 19 A L H X S+ 0 0 0 -4,-2.4 4,-2.5 2,-0.2 -1,-0.2 0.899 107.5 54.0 -64.0 -42.5 12.3 24.5 9.8 17 20 A L H X S+ 0 0 11 -4,-2.7 4,-1.9 -5,-0.2 -2,-0.2 0.911 106.0 53.2 -61.6 -38.9 16.0 25.3 10.3 18 21 A E H X S+ 0 0 103 -4,-1.9 4,-1.5 -5,-0.2 -1,-0.2 0.917 109.7 48.5 -60.3 -41.7 15.8 27.8 7.4 19 22 A L H X S+ 0 0 4 -4,-1.7 4,-2.3 1,-0.2 -2,-0.2 0.920 110.0 50.6 -63.3 -43.6 12.8 29.5 9.1 20 23 A Y H X S+ 0 0 8 -4,-2.5 4,-2.2 1,-0.2 -1,-0.2 0.794 105.9 56.4 -70.6 -23.9 14.6 29.6 12.4 21 24 A Q H < S+ 0 0 49 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.2 0.853 107.9 48.7 -69.9 -34.9 17.6 31.2 10.7 22 25 A V H < S+ 0 0 72 -4,-1.5 -2,-0.2 -3,-0.2 -1,-0.2 0.922 110.1 52.2 -64.0 -46.3 15.3 33.9 9.4 23 26 A L H < S+ 0 0 45 -4,-2.3 -2,-0.2 1,-0.3 -1,-0.2 0.938 127.2 19.7 -53.6 -53.5 13.9 34.3 12.9 24 27 A N >< - 0 0 28 -4,-2.2 3,-2.0 1,-0.1 -1,-0.3 -0.798 67.9-177.8-125.1 84.7 17.4 34.8 14.5 25 28 A P T 3 S+ 0 0 113 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.697 83.6 55.1 -60.0 -19.0 19.9 35.8 11.8 26 29 A S T 3 S+ 0 0 109 2,-0.1 3,-0.1 3,-0.0 -5,-0.1 0.519 84.7 106.3 -91.0 -6.4 22.8 35.8 14.3 27 30 A D S < S- 0 0 23 -3,-2.0 191,-0.0 -6,-0.2 -3,-0.0 -0.428 83.7 -98.8 -67.8 148.8 22.1 32.2 15.5 28 31 A P - 0 0 77 0, 0.0 2,-1.3 0, 0.0 192,-0.3 -0.345 37.9-110.9 -64.0 149.2 24.6 29.5 14.3 29 32 A E - 0 0 146 -3,-0.1 2,-0.1 191,-0.1 -11,-0.1 -0.707 36.2-155.0 -89.8 91.8 23.3 27.5 11.3 30 33 A L - 0 0 27 -2,-1.3 2,-0.1 187,-0.2 -9,-0.1 -0.415 11.4-129.3 -62.9 137.3 22.7 24.1 12.8 31 34 A T > - 0 0 61 -2,-0.1 4,-2.1 1,-0.1 5,-0.2 -0.450 24.7-107.6 -80.5 163.4 22.8 21.3 10.3 32 35 A T H > S+ 0 0 52 1,-0.2 4,-0.8 2,-0.2 -1,-0.1 0.888 123.8 52.2 -55.2 -37.5 20.0 18.7 10.0 33 36 A Q H >4 S+ 0 0 161 1,-0.2 3,-0.8 2,-0.2 4,-0.5 0.939 109.4 46.7 -65.9 -47.5 22.4 16.3 11.6 34 37 A E H 34 S+ 0 0 125 1,-0.2 4,-0.3 2,-0.1 3,-0.2 0.807 117.7 44.5 -61.2 -32.6 23.2 18.6 14.6 35 38 A A H 3X S+ 0 0 0 -4,-2.1 4,-2.5 1,-0.2 -1,-0.2 0.541 88.8 91.2 -91.6 -7.1 19.5 19.3 15.1 36 39 A G H S+ 0 0 81 -4,-0.5 4,-1.9 -3,-0.2 -1,-0.2 0.930 115.5 42.1 -64.6 -49.0 18.3 14.6 18.4 38 41 A V H > S+ 0 0 40 -4,-0.3 4,-2.3 2,-0.2 -2,-0.2 0.917 112.8 54.3 -65.1 -41.5 16.4 17.7 19.7 39 42 A F H X S+ 0 0 8 -4,-2.5 4,-2.5 1,-0.2 -2,-0.2 0.928 108.7 49.1 -57.4 -44.3 13.9 17.6 16.7 40 43 A A H X S+ 0 0 56 -4,-2.4 4,-1.7 1,-0.2 -1,-0.2 0.901 109.8 51.3 -61.2 -41.8 13.2 13.9 17.6 41 44 A A H X S+ 0 0 49 -4,-1.9 4,-0.8 2,-0.2 -1,-0.2 0.853 110.3 50.3 -61.6 -38.1 12.6 14.9 21.3 42 45 A X H >< S+ 0 0 1 -4,-2.3 3,-0.7 2,-0.2 -2,-0.2 0.918 108.9 49.8 -65.5 -44.6 10.3 17.7 20.1 43 46 A L H 3< S+ 0 0 78 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.833 115.2 45.7 -64.0 -30.0 8.3 15.2 18.0 44 47 A A H 3< S+ 0 0 78 -4,-1.7 -1,-0.2 -5,-0.2 -2,-0.2 0.590 86.5 112.7 -86.0 -13.9 8.1 12.9 21.0 45 48 A Q S X< S- 0 0 35 -4,-0.8 3,-2.0 -3,-0.7 146,-0.0 -0.468 72.8-120.1 -73.3 117.8 7.1 15.6 23.5 46 49 A P T 3 S+ 0 0 61 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.324 94.9 8.8 -55.5 128.7 3.6 15.3 24.8 47 50 A G T 3 S+ 0 0 34 1,-0.2 20,-2.9 19,-0.1 2,-0.5 0.405 100.0 116.4 80.9 2.1 1.5 18.3 24.0 48 51 A L E < + B 0 66A 16 -3,-2.0 2,-0.4 18,-0.2 -1,-0.2 -0.888 34.8 171.3-103.3 129.4 4.0 20.0 21.7 49 52 A T E - B 0 65A 44 16,-2.3 16,-3.2 -2,-0.5 2,-0.6 -0.993 22.0-152.7-136.0 128.7 3.2 20.5 18.0 50 53 A I E - B 0 64A 5 -2,-0.4 -42,-3.3 14,-0.2 2,-0.4 -0.907 20.9-159.6 -94.9 122.3 5.2 22.4 15.5 51 54 A F E -AB 7 63A 10 12,-3.1 12,-1.6 -2,-0.6 2,-0.3 -0.827 7.5-168.9-102.8 144.1 2.9 23.7 12.8 52 55 A V E -AB 6 62A 0 -46,-2.9 -46,-2.1 -2,-0.4 2,-0.4 -0.981 17.3-148.1-127.6 142.4 4.0 24.8 9.3 53 56 A A E -AB 5 61A 1 8,-2.0 7,-3.1 -2,-0.3 8,-1.2 -0.910 28.3-158.3 -97.1 137.9 2.2 26.6 6.4 54 57 A T E -AB 4 59A 5 -50,-2.7 -50,-2.1 -2,-0.4 2,-0.4 -0.916 17.7-163.7-122.4 147.7 3.6 25.4 3.1 55 58 A E E > S-AB 3 58A 35 3,-2.4 3,-2.1 -2,-0.4 -52,-0.2 -0.990 87.7 -14.4-128.3 119.0 3.7 26.9 -0.3 56 59 A N T 3 S- 0 0 127 -54,-2.9 -54,-0.1 -2,-0.4 -53,-0.1 0.877 132.2 -55.2 51.2 37.3 4.5 24.4 -3.2 57 60 A G T 3 S+ 0 0 50 -56,-0.3 -1,-0.3 -55,-0.2 -54,-0.1 0.251 113.4 121.0 82.8 -12.4 5.6 22.1 -0.3 58 61 A K E < -B 55 0A 106 -3,-2.1 -3,-2.4 1,-0.0 2,-0.2 -0.726 69.7-117.7 -85.8 127.5 8.1 24.6 1.2 59 62 A P E +B 54 0A 14 0, 0.0 -5,-0.3 0, 0.0 3,-0.1 -0.479 39.9 167.5 -59.0 126.2 7.6 25.7 4.8 60 63 A V E + 0 0 1 -7,-3.1 27,-0.5 1,-0.4 2,-0.3 0.451 63.3 17.4-121.6 -11.5 6.9 29.4 4.7 61 64 A A E -B 53 0A 0 -8,-1.2 -8,-2.0 25,-0.2 -1,-0.4 -0.972 63.7-175.5-152.8 158.7 5.7 30.0 8.2 62 65 A T E +BC 52 85A 0 23,-1.9 23,-2.0 -2,-0.3 2,-0.3 -0.988 9.9 178.5-152.3 154.6 5.8 28.2 11.5 63 66 A A E -B 51 0A 0 -12,-1.6 -12,-3.1 -2,-0.3 2,-0.5 -0.932 21.8-138.1-151.3 144.7 4.5 28.4 15.1 64 67 A T E -BC 50 82A 1 18,-2.9 18,-2.7 -2,-0.3 2,-0.5 -0.906 13.1-153.9-109.2 129.9 5.0 25.9 18.0 65 68 A L E -BC 49 81A 0 -16,-3.2 -16,-2.3 -2,-0.5 2,-0.5 -0.870 6.0-167.6-102.8 132.9 2.2 25.0 20.3 66 69 A L E -BC 48 80A 13 14,-2.8 14,-2.0 -2,-0.5 2,-0.5 -0.961 3.3-167.3-121.5 110.6 2.9 23.9 23.8 67 70 A I E - C 0 79A 34 -20,-2.9 12,-0.2 -2,-0.5 48,-0.0 -0.877 10.7-162.3-101.3 131.2 -0.2 22.4 25.6 68 71 A V E - C 0 78A 9 10,-3.0 10,-1.6 -2,-0.5 2,-0.1 -0.942 18.4-122.6-123.3 128.2 0.4 21.9 29.4 69 72 A P + 0 0 22 0, 0.0 2,-0.3 0, 0.0 7,-0.1 -0.426 40.3 178.0 -68.5 148.4 -1.5 19.8 31.9 70 73 A N - 0 0 1 5,-0.3 115,-0.1 2,-0.1 117,-0.0 -0.997 37.6-155.3-159.4 141.5 -2.9 21.9 34.8 71 74 A L S > S+ 0 0 6 -2,-0.3 4,-0.8 4,-0.1 3,-0.3 0.594 72.1 87.7 -98.5 -15.8 -5.0 21.6 38.0 72 75 A T H > S+ 0 0 2 1,-0.2 4,-1.4 2,-0.2 3,-0.2 -0.290 80.9 31.1 -77.3 169.1 -6.3 25.2 38.2 73 76 A R H >4 S- 0 0 76 1,-0.3 3,-0.7 2,-0.2 -1,-0.2 0.901 146.2 -40.3 47.9 56.6 -9.5 26.5 36.5 74 77 A A H 34 S- 0 0 53 100,-0.3 -1,-0.3 -3,-0.3 -2,-0.2 0.802 106.6 -67.2 63.7 33.2 -11.3 23.1 36.8 75 78 A A H 3< S+ 0 0 18 -4,-0.8 -5,-0.3 1,-0.2 -1,-0.2 0.818 90.5 156.9 57.9 37.9 -8.1 21.2 35.9 76 79 A R << - 0 0 61 -4,-1.4 -1,-0.2 -3,-0.7 -4,-0.2 -0.732 40.9-117.7 -94.5 139.9 -8.1 22.6 32.3 77 80 A P - 0 0 25 0, 0.0 36,-2.1 0, 0.0 37,-0.5 -0.152 23.6-152.5 -69.0 165.9 -4.8 22.8 30.4 78 81 A Y E -C 68 0A 1 -10,-1.6 -10,-3.0 34,-0.2 2,-0.3 -0.906 9.4-146.6-130.5 170.0 -3.3 26.0 29.2 79 82 A A E -Cd 67 115A 0 35,-1.8 37,-2.7 -2,-0.3 2,-0.3 -0.949 9.7-155.8-138.6 154.3 -1.0 26.7 26.2 80 83 A F E -Cd 66 116A 2 -14,-2.0 -14,-2.8 -2,-0.3 2,-0.4 -0.930 12.9-146.1-117.4 153.8 1.9 28.8 25.0 81 84 A I E +C 65 0A 1 35,-2.2 37,-0.5 -2,-0.3 2,-0.3 -0.983 27.8 173.7-117.9 131.2 2.8 29.6 21.4 82 85 A E E +C 64 0A 13 -18,-2.7 -18,-2.9 -2,-0.4 37,-0.1 -0.857 44.0 24.2-134.8 165.0 6.5 30.0 20.6 83 86 A N E + 0 0 12 -2,-0.3 2,-0.5 1,-0.2 -1,-0.2 0.875 65.4 179.7 47.2 55.1 9.0 30.5 17.8 84 87 A V E + 0 0 18 -21,-0.1 2,-0.4 -3,-0.1 -21,-0.2 -0.725 5.5 172.8 -84.3 127.2 6.6 32.1 15.3 85 88 A V E +C 62 0A 7 -23,-2.0 -23,-1.9 -2,-0.5 2,-0.3 -1.000 15.2 170.0-142.8 142.8 8.3 33.1 12.0 86 89 A T - 0 0 65 -2,-0.4 2,-0.4 -25,-0.2 -25,-0.2 -0.807 35.4 -98.0-131.8 177.5 7.3 34.4 8.7 87 90 A L > - 0 0 22 -27,-0.5 3,-1.6 -2,-0.3 9,-0.1 -0.809 7.3-138.3-109.6 140.6 9.3 35.6 5.7 88 91 A E G > S+ 0 0 90 -2,-0.4 3,-1.6 1,-0.3 -1,-0.1 0.859 112.2 54.8 -31.0 -45.3 10.3 39.2 4.5 89 92 A A G 3 S+ 0 0 72 1,-0.4 -1,-0.3 -3,-0.0 0, 0.0 0.401 110.4 41.7-114.7 -8.9 9.6 37.9 1.2 90 93 A R G X S+ 0 0 84 -3,-1.6 3,-1.7 -30,-0.1 -1,-0.4 0.046 80.3 152.0-122.1 23.9 6.0 36.7 2.1 91 94 A R T < + 0 0 179 -3,-1.6 -3,-0.1 1,-0.3 0, 0.0 -0.298 69.4 11.8 -57.0 129.9 5.0 39.8 4.1 92 95 A G T 3 S+ 0 0 72 1,-0.1 -1,-0.3 -2,-0.0 0, 0.0 0.690 93.9 108.8 74.8 19.8 1.4 40.4 4.1 93 96 A R S < S- 0 0 191 -3,-1.7 -2,-0.1 0, 0.0 -1,-0.1 0.571 83.8-121.5 -99.1 -12.9 0.4 37.1 2.5 94 97 A G S > S+ 0 0 20 -4,-0.3 4,-2.6 3,-0.0 5,-0.2 0.394 73.9 124.3 98.0 -3.2 -1.2 35.8 5.7 95 98 A Y H > S+ 0 0 29 -5,-0.4 4,-2.2 1,-0.2 5,-0.2 0.873 77.6 49.9 -63.3 -41.1 0.9 32.6 6.3 96 99 A G H > S+ 0 0 4 2,-0.2 4,-2.6 1,-0.2 5,-0.3 0.931 111.2 48.8 -58.0 -48.1 1.9 33.7 9.8 97 100 A R H > S+ 0 0 90 1,-0.2 4,-2.7 2,-0.2 5,-0.3 0.916 110.1 53.1 -59.3 -41.3 -1.7 34.5 10.7 98 101 A T H X S+ 0 0 70 -4,-2.6 4,-2.2 1,-0.2 -1,-0.2 0.945 113.2 41.8 -59.5 -48.9 -2.8 31.1 9.3 99 102 A V H X S+ 0 0 0 -4,-2.2 4,-2.1 2,-0.2 -1,-0.2 0.894 117.2 45.7 -71.3 -37.6 -0.3 29.1 11.4 100 103 A V H X S+ 0 0 0 -4,-2.6 4,-2.5 2,-0.2 -2,-0.2 0.947 114.2 48.4 -69.8 -46.4 -0.8 31.1 14.7 101 104 A R H X S+ 0 0 105 -4,-2.7 4,-2.8 -5,-0.3 -2,-0.2 0.904 110.8 52.1 -62.0 -37.3 -4.6 31.0 14.4 102 105 A H H X S+ 0 0 55 -4,-2.2 4,-2.7 -5,-0.3 -1,-0.2 0.922 108.8 50.0 -63.2 -43.4 -4.4 27.3 13.7 103 106 A A H X S+ 0 0 0 -4,-2.1 4,-2.3 2,-0.2 -2,-0.2 0.920 111.3 48.9 -62.0 -42.3 -2.3 26.8 16.8 104 107 A I H X S+ 0 0 6 -4,-2.5 4,-2.5 2,-0.2 5,-0.2 0.951 112.7 47.7 -58.8 -48.9 -4.8 28.8 18.9 105 108 A E H X S+ 0 0 113 -4,-2.8 4,-2.4 1,-0.2 -2,-0.2 0.892 110.3 52.1 -64.4 -36.8 -7.7 26.8 17.5 106 109 A T H X S+ 0 0 46 -4,-2.7 4,-1.1 2,-0.2 -1,-0.2 0.903 109.6 49.6 -65.1 -41.9 -5.9 23.5 18.2 107 110 A A H ><>S+ 0 0 0 -4,-2.3 5,-2.3 2,-0.2 3,-0.6 0.932 111.8 47.4 -61.3 -48.8 -5.3 24.6 21.8 108 111 A F H ><5S+ 0 0 38 -4,-2.5 3,-1.8 1,-0.2 -2,-0.2 0.887 107.8 56.2 -63.5 -36.3 -8.9 25.5 22.3 109 112 A G H 3<5S+ 0 0 73 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.772 103.5 55.4 -62.5 -26.0 -10.0 22.2 20.7 110 113 A A T <<5S- 0 0 44 -4,-1.1 -1,-0.3 -3,-0.6 -2,-0.2 0.261 126.3-106.0 -89.2 9.4 -7.8 20.5 23.4 111 114 A N T < 5 + 0 0 84 -3,-1.8 2,-0.2 1,-0.2 -3,-0.2 0.674 60.6 164.8 71.4 26.1 -9.9 22.4 26.1 112 115 A C < - 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I 0 211A 39 16,-2.6 16,-3.1 -2,-0.5 2,-0.8 -0.996 20.7-152.9-132.5 129.2 8.3 20.0 37.7 196 53 B I E - I 0 210A 5 -2,-0.4 -42,-3.1 14,-0.2 2,-0.3 -0.908 23.3-158.0 -94.2 111.8 6.0 21.2 40.4 197 54 B F E -HI 153 209A 10 12,-2.8 12,-1.6 -2,-0.8 2,-0.4 -0.725 9.9-171.8 -90.2 141.7 8.3 22.6 43.1 198 55 B V E -HI 152 208A 0 -46,-2.9 -46,-2.2 -2,-0.3 2,-0.5 -0.978 19.1-146.7-129.0 143.4 7.1 22.9 46.6 199 56 B A E -HI 151 207A 2 8,-2.1 7,-2.9 -2,-0.4 8,-1.1 -0.951 26.7-157.2 -98.2 131.4 8.7 24.5 49.7 200 57 B T E -HI 150 205A 7 -50,-2.7 -50,-1.1 -2,-0.5 2,-0.5 -0.873 14.8-159.5-113.3 145.9 7.7 22.5 52.8 201 58 B E E > S- I 0 204A 21 3,-2.4 3,-1.8 -2,-0.4 -2,-0.0 -0.981 85.2 -24.2-122.8 112.6 7.5 23.7 56.4 202 59 B N T 3 S- 0 0 162 -2,-0.5 -1,-0.1 1,-0.3 0, 0.0 0.902 131.5 -45.7 45.3 49.0 7.6 20.7 58.7 203 60 B G T 3 S+ 0 0 56 1,-0.2 -1,-0.3 -53,-0.0 0, 0.0 -0.015 115.2 111.1 94.4 -30.1 6.2 18.5 55.9 204 61 B K E < S-I 201 0A 100 -3,-1.8 -3,-2.4 1,-0.1 2,-0.4 -0.661 71.3-120.9 -87.3 128.9 3.4 20.8 54.7 205 62 B P E +I 200 0A 13 0, 0.0 -5,-0.3 0, 0.0 3,-0.1 -0.539 38.6 166.4 -65.1 122.0 3.6 22.4 51.2 206 63 B V E + 0 0 1 -7,-2.9 27,-2.5 -2,-0.4 2,-0.3 0.463 62.4 19.6-115.2 -8.9 3.5 26.2 51.9 207 64 B A E -IJ 199 232A 0 -8,-1.1 -8,-2.1 25,-0.2 2,-0.3 -0.980 63.5-174.4-158.5 154.1 4.6 27.5 48.5 208 65 B T E +IJ 198 231A 0 23,-2.3 23,-1.8 -2,-0.3 2,-0.3 -0.992 11.6 178.1-151.2 152.8 4.8 26.3 45.0 209 66 B A E -I 197 0A 0 -12,-1.6 -12,-2.8 -2,-0.3 2,-0.5 -0.929 23.5-137.0-150.2 142.8 6.0 27.2 41.5 210 67 B T E -IJ 196 228A 1 18,-3.1 18,-2.5 -2,-0.3 2,-0.5 -0.878 14.0-156.5-103.8 129.7 5.8 25.0 38.3 211 68 B L E -IJ 195 227A 0 -16,-3.1 -16,-2.6 -2,-0.5 2,-0.5 -0.904 5.4-168.2-104.2 131.7 8.8 24.8 36.0 212 69 B L E -IJ 194 226A 13 14,-2.9 14,-2.1 -2,-0.5 2,-0.5 -0.961 2.5-167.0-117.8 113.6 8.3 23.9 32.3 213 70 B I E - J 0 225A 37 -20,-2.5 12,-0.2 -2,-0.5 48,-0.0 -0.884 12.9-161.1-101.1 128.5 11.5 23.1 30.4 214 71 B V E - J 0 224A 11 10,-3.4 10,-1.6 -2,-0.5 -21,-0.1 -0.915 16.7-124.6-119.9 128.6 10.9 23.0 26.6 215 72 B P + 0 0 24 0, 0.0 2,-0.3 0, 0.0 7,-0.1 -0.408 40.4 176.9 -69.8 151.7 13.0 21.4 23.9 216 73 B N - 0 0 1 5,-0.3 -177,-0.1 2,-0.1 -178,-0.1 -0.997 38.4-152.4-162.0 145.6 14.0 23.9 21.2 217 74 B L S > S+ 0 0 4 -2,-0.3 4,-0.8 4,-0.1 3,-0.3 0.626 72.0 85.7-102.0 -18.1 15.9 24.4 18.0 218 75 B T H > S+ 0 0 2 1,-0.2 4,-1.0 2,-0.2 3,-0.4 -0.279 81.4 35.7 -76.0 171.8 16.7 28.1 18.0 219 76 B R H >4 S- 0 0 72 1,-0.3 3,-1.0 2,-0.2 -1,-0.2 0.906 144.9 -47.3 50.0 51.8 19.8 29.5 19.9 220 77 B A H 34 S- 0 0 49 -192,-0.3 -1,-0.3 -3,-0.3 -2,-0.2 0.797 104.4 -64.0 62.2 32.6 22.0 26.5 19.0 221 78 B A H 3< S+ 0 0 19 -4,-0.8 -5,-0.3 -3,-0.4 -1,-0.2 0.783 89.8 157.4 58.6 34.0 19.1 24.2 20.1 222 79 B R << - 0 0 48 -4,-1.0 -1,-0.2 -3,-1.0 -4,-0.1 -0.670 40.6-118.6 -81.6 141.0 19.3 25.3 23.7 223 80 B P - 0 0 26 0, 0.0 36,-2.0 0, 0.0 37,-0.4 -0.212 23.9-154.6 -73.5 166.5 16.1 24.7 25.7 224 81 B Y E -J 214 0A 0 -10,-1.6 -10,-3.4 34,-0.2 2,-0.3 -0.893 8.1-143.5-132.5 170.0 14.0 27.5 27.3 225 82 B A E -Jk 213 261A 0 35,-1.8 37,-2.6 -2,-0.3 2,-0.3 -0.946 8.4-155.3-137.5 154.9 11.7 27.5 30.3 226 83 B F E -Jk 212 262A 1 -14,-2.1 -14,-2.9 -2,-0.3 2,-0.4 -0.930 12.2-148.1-119.2 152.1 8.4 29.0 31.6 227 84 B I E +J 211 0A 4 35,-1.9 37,-0.4 -2,-0.3 2,-0.3 -0.981 25.6 172.4-118.0 134.6 7.4 29.4 35.2 228 85 B E E +J 210 0A 17 -18,-2.5 -18,-3.1 -2,-0.4 37,-0.0 -0.908 44.3 23.9-136.7 162.7 3.7 29.1 36.1 229 86 B N E - 0 0 11 -2,-0.3 2,-0.6 -20,-0.2 -1,-0.2 0.895 64.4-179.8 50.6 59.7 1.3 28.9 39.1 230 87 B V E + 0 0 26 -21,-0.2 2,-0.3 -3,-0.1 -21,-0.2 -0.809 13.0 149.0 -92.8 121.2 3.4 30.6 41.7 231 88 B V E -J 208 0A 10 -23,-1.8 -23,-2.3 -2,-0.6 2,-0.4 -0.989 29.0-162.7-154.4 146.8 1.7 30.9 45.1 232 89 B T E -J 207 0A 17 -2,-0.3 -25,-0.2 -25,-0.2 5,-0.1 -0.973 40.4 -98.8-122.7 140.4 2.5 31.0 48.8 233 90 B L > - 0 0 15 -27,-2.5 3,-1.8 -2,-0.4 4,-0.5 -0.356 36.8-120.3 -54.8 138.4 -0.1 30.4 51.7 234 91 B E G > S+ 0 0 134 1,-0.3 3,-1.6 2,-0.2 -1,-0.1 0.877 109.8 55.0 -51.6 -48.2 -1.2 33.8 53.0 235 92 B A G 3 S+ 0 0 70 1,-0.3 -1,-0.3 3,-0.0 -2,-0.1 0.652 110.7 47.6 -64.3 -14.1 -0.0 33.2 56.6 236 93 B R G X S+ 0 0 81 -3,-1.8 3,-0.9 -30,-0.2 5,-0.4 0.410 82.1 120.8-108.4 0.3 3.5 32.4 55.3 237 94 B R T < + 0 0 134 -3,-1.6 -3,-0.0 -4,-0.5 -4,-0.0 -0.301 66.3 34.5 -69.4 148.4 4.0 35.4 52.9 238 95 B G T 3 S+ 0 0 87 -2,-0.0 -1,-0.2 1,-0.0 -3,-0.0 0.559 89.9 97.8 86.5 7.7 7.0 37.8 53.5 239 96 B R S < S- 0 0 144 -3,-0.9 -2,-0.1 0, 0.0 -3,-0.0 0.355 101.1-107.1-105.6 2.1 9.2 35.0 54.8 240 97 B G S > S+ 0 0 20 -4,-0.1 4,-2.8 3,-0.0 5,-0.2 0.439 84.3 123.8 88.7 1.3 11.0 34.5 51.5 241 98 B Y H > S+ 0 0 15 -5,-0.4 4,-2.4 2,-0.2 5,-0.2 0.914 77.1 44.4 -59.4 -48.5 9.3 31.1 50.7 242 99 B G H > S+ 0 0 7 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.919 114.7 48.1 -63.6 -45.8 7.9 32.4 47.3 243 100 B R H > S+ 0 0 104 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.925 112.2 51.4 -59.7 -43.2 11.2 34.0 46.4 244 101 B T H X S+ 0 0 70 -4,-2.8 4,-2.3 1,-0.2 -2,-0.2 0.910 111.5 45.0 -62.3 -45.2 13.1 30.8 47.3 245 102 B V H X S+ 0 0 0 -4,-2.4 4,-2.1 2,-0.2 -1,-0.2 0.904 115.0 47.9 -67.5 -41.4 10.8 28.5 45.3 246 103 B V H X S+ 0 0 0 -4,-2.4 4,-2.6 2,-0.2 -2,-0.2 0.945 113.3 47.7 -62.8 -47.9 10.9 30.8 42.2 247 104 B R H X S+ 0 0 78 -4,-2.8 4,-2.6 1,-0.2 -2,-0.2 0.879 110.0 53.0 -61.7 -37.8 14.7 31.2 42.5 248 105 B H H X S+ 0 0 52 -4,-2.3 4,-2.3 -5,-0.2 -1,-0.2 0.914 109.2 49.4 -61.8 -43.8 15.1 27.4 42.8 249 106 B A H X S+ 0 0 0 -4,-2.1 4,-2.4 2,-0.2 -2,-0.2 0.921 111.6 48.9 -60.1 -47.3 13.0 26.9 39.6 250 107 B I H X S+ 0 0 0 -4,-2.6 4,-2.7 1,-0.2 5,-0.2 0.934 112.4 48.1 -57.2 -47.5 15.2 29.5 37.7 251 108 B E H X S+ 0 0 108 -4,-2.6 4,-2.2 1,-0.2 -1,-0.2 0.858 109.8 52.2 -65.1 -37.4 18.4 27.7 38.9 252 109 B T H X S+ 0 0 48 -4,-2.3 4,-1.0 2,-0.2 -1,-0.2 0.925 111.4 47.6 -61.2 -46.6 17.0 24.3 37.9 253 110 B A H ><>S+ 0 0 0 -4,-2.4 5,-2.1 1,-0.2 3,-0.8 0.931 112.4 47.4 -61.1 -48.0 16.3 25.7 34.4 254 111 B F H ><5S+ 0 0 38 -4,-2.7 3,-1.7 1,-0.3 -1,-0.2 0.851 107.1 58.2 -64.2 -34.7 19.7 27.3 34.1 255 112 B G H 3<5S+ 0 0 72 -4,-2.2 -1,-0.3 1,-0.3 -2,-0.2 0.731 102.5 54.2 -62.6 -27.1 21.3 24.0 35.3 256 113 B A T <<5S- 0 0 46 -4,-1.0 -1,-0.3 -3,-0.8 -2,-0.2 0.218 125.7-107.5 -88.5 12.1 19.5 22.3 32.3 257 114 B N T < 5 + 0 0 85 -3,-1.7 -3,-0.2 1,-0.2 -2,-0.1 0.664 59.1 166.1 68.0 22.6 21.2 24.9 30.1 258 115 B C < - 0 0 0 -5,-2.1 -34,-0.2 1,-0.1 -1,-0.2 -0.453 30.5-151.0 -61.3 137.9 18.1 26.9 29.4 259 116 B Y S S+ 0 0 8 -36,-2.0 -113,-1.8 1,-0.2 2,-0.3 0.658 76.3 14.4 -87.1 -17.2 19.1 30.2 27.8 260 117 B K E -G 145 0A 10 -37,-0.4 -35,-1.8 -115,-0.2 2,-0.4 -0.990 57.2-153.6-152.7 153.1 16.0 32.0 29.2 261 118 B V E -Gk 144 225A 0 -117,-2.6 -117,-2.4 -2,-0.3 2,-0.3 -0.999 25.9-172.1-128.5 127.3 13.3 31.6 31.7 262 119 B X E +Gk 143 226A 0 -37,-2.6 -35,-1.9 -2,-0.4 2,-0.3 -0.831 11.1 179.0-119.6 156.2 10.0 33.4 31.1 263 120 B L E -G 142 0A 4 -121,-2.4 -121,-2.7 -2,-0.3 2,-0.4 -0.985 16.5-145.1-152.9 152.9 6.8 34.1 32.8 264 121 B L E +G 141 0A 16 -37,-0.4 2,-0.3 -2,-0.3 -123,-0.2 -0.944 24.5 171.3-115.0 136.3 3.5 36.0 32.2 265 122 B T E -G 140 0A 26 -125,-2.3 -125,-3.0 -2,-0.4 22,-0.1 -0.870 40.3 -69.8-136.9 173.2 1.7 37.7 34.9 266 123 B G E -G 139 0A 25 -2,-0.3 3,-0.5 -127,-0.2 -127,-0.2 -0.231 56.0-109.7 -60.6 149.7 -1.3 40.1 35.4 267 124 B R S S+ 0 0 130 -129,-0.7 -1,-0.1 1,-0.2 -129,-0.0 -0.445 89.9 15.1 -80.4 155.4 -0.8 43.7 34.1 268 125 B H S S+ 0 0 154 1,-0.2 -1,-0.2 -2,-0.1 -2,-0.0 0.834 79.4 138.3 57.0 42.1 -0.5 46.7 36.4 269 126 B D > - 0 0 66 -3,-0.5 4,-2.6 1,-0.2 5,-0.2 -0.875 30.9-173.3-119.8 95.0 0.1 44.8 39.6 270 127 B P H > S+ 0 0 108 0, 0.0 4,-2.2 0, 0.0 5,-0.2 0.858 81.4 49.1 -61.9 -39.6 2.9 46.7 41.5 271 128 B A H > S+ 0 0 75 2,-0.2 4,-2.1 1,-0.2 5,-0.1 0.939 114.7 45.0 -65.5 -46.5 3.4 44.1 44.3 272 129 B V H > S+ 0 0 44 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.922 114.1 48.2 -64.3 -43.0 3.6 41.2 41.9 273 130 B H H X S+ 0 0 39 -4,-2.6 4,-2.4 1,-0.2 -1,-0.2 0.902 111.2 50.2 -67.2 -37.2 6.0 43.0 39.4 274 131 B A H X S+ 0 0 59 -4,-2.2 4,-2.3 -5,-0.2 -1,-0.2 0.903 109.0 54.0 -64.8 -38.2 8.3 44.2 42.3 275 132 B F H X S+ 0 0 49 -4,-2.1 4,-0.9 2,-0.2 -2,-0.2 0.953 110.3 45.1 -59.4 -52.1 8.3 40.6 43.5 276 133 B Y H ><>S+ 0 0 20 -4,-2.4 5,-2.2 1,-0.2 3,-0.7 0.891 111.1 52.3 -63.4 -37.9 9.5 39.2 40.1 277 134 B E H ><5S+ 0 0 146 -4,-2.4 3,-1.7 1,-0.2 -1,-0.2 0.916 106.0 56.1 -60.0 -38.6 12.0 42.0 39.7 278 135 B S H 3<5S+ 0 0 59 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.702 103.3 54.6 -67.7 -20.9 13.3 40.9 43.2 279 136 B C T <<5S- 0 0 2 -4,-0.9 -1,-0.3 -3,-0.7 -2,-0.2 0.457 129.9 -96.3 -86.7 -5.2 13.8 37.4 41.8 280 137 B G T < 5S+ 0 0 36 -3,-1.7 -3,-0.2 -4,-0.3 2,-0.2 0.447 75.5 144.4 104.0 4.3 15.9 38.7 38.9 281 138 B F < - 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