==== 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 08-MAR-07 2P35 . COMPND 2 MOLECULE: TRANS-ACONITATE 2-METHYLTRANSFERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: AGROBACTERIUM TUMEFACIENS STR.; . AUTHOR C.CHANG,X.XU,H.ZHENG,A.SAVCHENKO,A.M.EDWARDS,A.JOACHIMIAK,MI . 487 6 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 23192.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 338 69.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 44 9.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 56 11.5 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 0.4 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 . 20 4.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 67 13.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 138 28.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 0.8 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 0 1 7 1 4 0 2 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 2 4 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 PARALLEL BRIDGES PER LADDER . 1 0 0 0 1 0 2 0 0 0 0 0 0 2 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 0 0 1 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 5 A A > 0 0 18 0, 0.0 3,-1.0 0, 0.0 4,-0.4 0.000 360.0 360.0 360.0 -13.6 -38.0 61.9 19.6 2 6 A Q G > + 0 0 105 355,-0.4 3,-1.0 1,-0.3 356,-0.1 0.883 360.0 54.3 -64.2 -38.0 -38.1 60.1 16.3 3 7 A Q G 3 S+ 0 0 157 1,-0.2 -1,-0.3 3,-0.0 355,-0.1 0.644 106.1 52.9 -69.9 -17.0 -36.4 63.0 14.4 4 8 A Y G < S+ 0 0 62 -3,-1.0 261,-2.7 262,-0.1 2,-0.2 0.400 78.3 117.6-102.8 4.0 -33.4 63.1 16.8 5 9 A L B < -A 264 0A 25 -3,-1.0 2,-0.4 -4,-0.4 259,-0.2 -0.536 37.6-179.6 -72.4 133.6 -32.4 59.3 16.6 6 10 A K - 0 0 113 257,-2.2 2,-0.4 -2,-0.2 -3,-0.0 -0.918 6.7-165.4-137.2 107.1 -29.0 58.8 15.1 7 11 A F - 0 0 92 -2,-0.4 2,-0.2 257,-0.0 3,-0.0 -0.780 9.5-144.4 -97.5 136.8 -27.7 55.2 14.7 8 12 A E - 0 0 100 -2,-0.4 2,-0.3 1,-0.1 5,-0.1 -0.617 40.8 -80.0 -90.0 157.5 -24.1 54.3 14.1 9 13 A D > - 0 0 61 -2,-0.2 3,-1.4 1,-0.2 -1,-0.1 -0.427 34.8-151.6 -60.0 116.9 -23.0 51.4 11.9 10 14 A E G > S+ 0 0 113 -2,-0.3 3,-1.7 1,-0.3 -1,-0.2 0.798 91.2 68.3 -64.0 -25.7 -23.3 48.2 13.9 11 15 A R G 3 S+ 0 0 199 1,-0.3 -1,-0.3 2,-0.1 4,-0.2 0.748 104.0 42.9 -67.3 -21.3 -20.5 46.6 11.9 12 16 A T G <> S+ 0 0 17 -3,-1.4 4,-2.9 1,-0.1 -1,-0.3 0.204 80.5 115.3-107.5 15.8 -18.0 49.0 13.4 13 17 A R H <> S+ 0 0 19 -3,-1.7 4,-2.7 1,-0.2 5,-0.2 0.898 79.1 41.7 -51.3 -52.8 -19.4 48.8 17.0 14 18 A P H > S+ 0 0 16 0, 0.0 4,-2.4 0, 0.0 -1,-0.2 0.910 115.4 50.5 -66.1 -40.8 -16.3 47.2 18.6 15 19 A A H > S+ 0 0 2 2,-0.2 4,-2.5 1,-0.2 -2,-0.2 0.902 113.6 46.3 -59.4 -42.2 -13.9 49.5 16.7 16 20 A R H X S+ 0 0 42 -4,-2.9 4,-2.2 2,-0.2 -1,-0.2 0.909 111.7 50.7 -66.5 -42.3 -15.9 52.5 17.8 17 21 A D H < S+ 0 0 29 -4,-2.7 4,-0.5 -5,-0.2 -2,-0.2 0.879 112.6 47.9 -62.0 -39.6 -16.0 51.2 21.5 18 22 A L H >< S+ 0 0 0 -4,-2.4 3,-1.4 1,-0.2 -2,-0.2 0.945 112.0 48.1 -64.0 -50.3 -12.3 50.8 21.3 19 23 A L H >< S+ 0 0 16 -4,-2.5 3,-2.0 1,-0.3 -2,-0.2 0.833 100.4 65.3 -62.6 -34.5 -11.7 54.3 19.9 20 24 A A T 3< S+ 0 0 65 -4,-2.2 -1,-0.3 1,-0.3 -2,-0.2 0.731 100.8 52.8 -60.7 -22.4 -13.9 55.9 22.4 21 25 A Q T < S+ 0 0 40 -3,-1.4 -1,-0.3 -4,-0.5 -2,-0.2 0.333 79.8 107.3 -97.3 5.0 -11.3 54.8 25.1 22 26 A V < - 0 0 2 -3,-2.0 2,-1.2 -4,-0.1 100,-0.0 -0.782 62.2-152.3 -81.9 113.8 -8.3 56.3 23.3 23 27 A P + 0 0 60 0, 0.0 2,-0.5 0, 0.0 -1,-0.1 -0.245 54.9 114.6 -87.3 48.2 -7.5 59.4 25.4 24 28 A L - 0 0 28 -2,-1.2 3,-0.1 1,-0.2 -2,-0.1 -0.981 43.0-172.8-120.3 125.2 -5.9 61.5 22.7 25 29 A E S S+ 0 0 147 -2,-0.5 2,-0.3 1,-0.2 -1,-0.2 0.854 81.4 25.0 -74.0 -38.9 -7.5 64.7 21.5 26 30 A R - 0 0 174 0, 0.0 2,-0.4 0, 0.0 -1,-0.2 -0.922 63.9-162.4-130.3 152.3 -5.0 65.0 18.6 27 31 A V + 0 0 7 -2,-0.3 3,-0.1 21,-0.3 25,-0.1 -1.000 13.0 172.7-134.7 133.0 -2.9 62.5 16.6 28 32 A L S S+ 0 0 143 -2,-0.4 -1,-0.1 1,-0.1 2,-0.1 0.646 84.3 18.0-110.3 -25.0 0.2 63.4 14.4 29 33 A N S S+ 0 0 22 2,-0.0 61,-1.6 25,-0.0 62,-1.1 -0.549 79.7 158.4-149.6 78.5 1.4 59.9 13.5 30 34 A G E -bc 53 91B 0 22,-3.2 24,-1.7 60,-0.2 2,-0.4 -0.667 22.9-151.7-104.9 156.6 -1.2 57.2 14.1 31 35 A Y E -bc 54 92B 16 60,-1.7 62,-2.8 -2,-0.2 2,-0.8 -0.995 11.0-151.6-131.3 132.6 -1.5 53.7 12.5 32 36 A D E > -bc 55 93B 0 22,-2.4 24,-2.7 -2,-0.4 3,-0.7 -0.904 26.8-152.9 -99.7 105.7 -4.4 51.5 11.8 33 37 A L E 3 S+b 56 0B 0 60,-3.4 62,-0.5 -2,-0.8 24,-0.2 -0.604 77.2 10.0 -89.5 136.9 -2.9 48.0 12.0 34 38 A G T 3 S+ 0 0 0 22,-1.6 -1,-0.3 -2,-0.3 23,-0.2 0.956 82.0 176.6 55.3 52.6 -4.6 45.3 10.0 35 39 A C X > - 0 0 0 21,-1.9 3,-1.7 -3,-0.7 5,-0.5 0.704 7.2-175.1 -62.1 -24.3 -6.6 48.1 8.3 36 40 A G T 3 5 - 0 0 0 1,-0.2 30,-0.3 20,-0.2 -1,-0.2 -0.343 68.4 -15.1 58.4-140.6 -8.4 45.7 5.8 37 41 A P T 3 5S- 0 0 35 0, 0.0 -1,-0.2 0, 0.0 32,-0.2 0.281 107.0 -94.7 -80.5 10.9 -10.6 47.7 3.3 38 42 A G T <>5S+ 0 0 0 -3,-1.7 4,-2.2 31,-0.0 -2,-0.1 0.585 88.1 125.4 93.8 12.5 -10.3 50.8 5.5 39 43 A N H >5S+ 0 0 56 -4,-0.4 4,-1.1 2,-0.2 -3,-0.1 0.934 86.4 38.8 -61.3 -50.8 -13.5 50.7 7.6 40 44 A S H > S+ 0 0 0 -6,-0.5 4,-2.7 1,-0.2 5,-0.2 0.899 102.6 54.3 -66.2 -40.0 -9.1 53.4 9.1 42 46 A E H X S+ 0 0 61 -4,-2.2 4,-2.6 1,-0.2 -1,-0.2 0.817 102.6 57.2 -65.6 -32.1 -11.9 55.8 8.2 43 47 A L H X S+ 0 0 29 -4,-1.1 4,-1.4 -3,-0.3 -1,-0.2 0.912 111.2 44.5 -59.0 -42.5 -13.0 55.9 11.9 44 48 A L H X S+ 0 0 0 -4,-1.5 4,-2.9 2,-0.2 5,-0.4 0.929 114.9 45.1 -69.6 -46.4 -9.5 57.1 12.7 45 49 A T H X S+ 0 0 9 -4,-2.7 4,-1.9 1,-0.2 -2,-0.2 0.865 109.6 57.2 -68.4 -35.0 -9.3 59.6 9.9 46 50 A D H < S+ 0 0 120 -4,-2.6 -1,-0.2 -5,-0.2 -2,-0.2 0.902 116.7 36.1 -54.7 -42.5 -12.8 60.9 10.8 47 51 A R H < S+ 0 0 105 -4,-1.4 -2,-0.2 -5,-0.2 -1,-0.2 0.874 135.5 16.4 -80.9 -39.8 -11.6 61.6 14.3 48 52 A Y H < S- 0 0 25 -4,-2.9 -21,-0.3 1,-0.2 -3,-0.2 0.596 112.8 -81.1-119.7 -15.9 -8.0 62.8 13.7 49 53 A G >< - 0 0 21 -4,-1.9 3,-0.9 -5,-0.4 4,-0.2 -0.110 29.3-103.9 119.8 145.2 -7.6 63.8 10.0 50 54 A V T 3 S+ 0 0 65 1,-0.2 3,-0.4 2,-0.1 24,-0.3 0.726 116.6 55.7 -68.6 -21.5 -6.9 61.9 6.7 51 55 A N T 3 S+ 0 0 117 1,-0.2 -1,-0.2 22,-0.1 -2,-0.1 0.546 101.1 54.0 -88.6 -16.4 -3.2 63.1 6.8 52 56 A V S < S+ 0 0 16 -3,-0.9 -22,-3.2 -7,-0.1 2,-0.4 0.297 93.8 77.6-108.2 9.0 -2.1 61.8 10.2 53 57 A I E -b 30 0B 0 -3,-0.4 21,-1.0 -4,-0.2 2,-0.4 -0.937 53.6-167.1-122.1 140.4 -3.1 58.0 9.9 54 58 A T E -bd 31 74B 20 -24,-1.7 -22,-2.4 -2,-0.4 2,-0.4 -0.997 14.7-143.5-125.0 125.1 -1.4 55.2 8.0 55 59 A G E -bd 32 75B 0 19,-2.4 21,-2.9 -2,-0.4 2,-0.4 -0.758 14.7-163.7 -85.6 135.4 -3.1 51.9 7.4 56 60 A I E +bd 33 76B 6 -24,-2.7 -21,-1.9 -2,-0.4 -22,-1.6 -0.971 19.7 151.4-120.6 129.5 -0.9 48.7 7.6 57 61 A D E - d 0 77B 1 19,-1.7 21,-1.1 -2,-0.4 22,-0.1 -0.980 44.2-139.2-152.2 151.9 -1.9 45.3 6.2 58 62 A S S S+ 0 0 39 -2,-0.3 2,-0.6 19,-0.2 19,-0.1 0.467 84.7 86.2 -86.2 -4.3 -0.2 42.2 4.7 59 63 A D > - 0 0 52 1,-0.1 4,-1.9 19,-0.1 3,-0.4 -0.883 60.0-163.4-109.6 115.3 -2.9 41.9 2.0 60 64 A D H > S+ 0 0 94 -2,-0.6 4,-1.9 1,-0.2 -1,-0.1 0.818 91.4 55.9 -60.7 -38.7 -2.4 43.9 -1.2 61 65 A D H > S+ 0 0 119 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.835 108.6 49.4 -65.3 -34.7 -6.1 43.5 -2.3 62 66 A X H > S+ 0 0 57 -3,-0.4 4,-2.5 2,-0.2 -2,-0.2 0.923 108.7 51.2 -67.7 -46.2 -7.1 45.0 1.0 63 67 A L H X S+ 0 0 13 -4,-1.9 4,-2.9 1,-0.2 -2,-0.2 0.863 106.6 54.7 -62.1 -38.9 -4.8 48.0 0.8 64 68 A E H X S+ 0 0 122 -4,-1.9 4,-2.2 2,-0.2 -1,-0.2 0.907 110.0 47.0 -59.3 -45.2 -6.0 48.8 -2.8 65 69 A K H X S+ 0 0 130 -4,-1.4 4,-2.2 2,-0.2 -2,-0.2 0.941 114.5 46.4 -62.0 -48.7 -9.6 49.0 -1.4 66 70 A A H X S+ 0 0 0 -4,-2.5 4,-2.1 -30,-0.3 -2,-0.2 0.899 112.1 51.1 -60.7 -44.1 -8.6 51.1 1.5 67 71 A A H < S+ 0 0 37 -4,-2.9 -1,-0.2 2,-0.2 -2,-0.2 0.870 109.1 51.0 -62.7 -41.5 -6.5 53.5 -0.7 68 72 A D H < S+ 0 0 114 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.929 115.5 42.3 -58.6 -46.7 -9.5 53.9 -3.1 69 73 A R H < S+ 0 0 92 -4,-2.2 -2,-0.2 1,-0.3 -1,-0.2 0.757 126.7 32.3 -76.3 -23.8 -11.8 54.8 -0.2 70 74 A L S >< S+ 0 0 12 -4,-2.1 3,-1.6 -5,-0.2 -1,-0.3 -0.636 70.6 168.1-131.6 76.1 -9.2 57.0 1.5 71 75 A P T 3 S+ 0 0 98 0, 0.0 -1,-0.1 0, 0.0 -4,-0.1 0.517 76.3 49.6 -74.8 -8.7 -7.2 58.5 -1.4 72 76 A N T 3 S+ 0 0 129 2,-0.1 2,-0.3 0, 0.0 -5,-0.1 0.199 96.0 91.9-110.8 13.5 -5.4 61.2 0.8 73 77 A T S < S- 0 0 14 -3,-1.6 2,-0.2 -6,-0.2 -22,-0.1 -0.857 77.4-114.9-114.9 140.7 -4.3 58.7 3.4 74 78 A N E -d 54 0B 101 -21,-1.0 -19,-2.4 -2,-0.3 2,-0.3 -0.477 30.4-174.2 -74.5 143.1 -1.0 56.7 3.6 75 79 A F E -d 55 0B 48 -21,-0.2 2,-0.3 -2,-0.2 -19,-0.2 -0.989 0.9-173.4-140.3 131.4 -1.1 52.8 3.3 76 80 A G E -d 56 0B 25 -21,-2.9 -19,-1.7 -2,-0.3 2,-0.5 -0.956 21.9-128.9-127.3 147.0 1.8 50.4 3.8 77 81 A K E +d 57 0B 130 -2,-0.3 2,-0.3 -21,-0.2 -19,-0.2 -0.787 47.8 132.8 -89.5 125.3 2.3 46.6 3.3 78 82 A A - 0 0 23 -21,-1.1 2,-0.6 -2,-0.5 -19,-0.1 -0.982 54.5-114.8-162.3 159.7 3.8 44.7 6.2 79 83 A D >> - 0 0 82 -2,-0.3 4,-2.1 1,-0.1 3,-1.6 -0.926 22.8-145.0 -99.2 124.2 3.5 41.7 8.4 80 84 A L T 34 S+ 0 0 3 -2,-0.6 -1,-0.1 1,-0.3 21,-0.1 0.613 90.4 81.1 -62.9 -16.1 2.7 42.7 12.0 81 85 A A T 34 S+ 0 0 44 1,-0.2 -1,-0.3 -3,-0.0 20,-0.0 0.863 119.2 5.9 -55.7 -33.3 4.8 39.8 13.3 82 86 A T T <4 S+ 0 0 119 -3,-1.6 -2,-0.2 2,-0.0 -1,-0.2 0.584 98.1 127.0-123.8 -22.3 7.9 42.0 12.7 83 87 A W < + 0 0 37 -4,-2.1 -5,-0.1 1,-0.0 -3,-0.0 -0.015 26.3 174.9 -50.9 139.4 6.7 45.5 11.6 84 88 A K - 0 0 136 4,-0.0 4,-0.1 30,-0.0 27,-0.0 -0.981 37.3-104.4-136.1 146.9 7.8 48.7 13.3 85 89 A P - 0 0 5 0, 0.0 4,-0.1 0, 0.0 3,-0.0 -0.366 23.7-126.7 -64.6 150.3 6.8 52.3 12.2 86 90 A A S S+ 0 0 112 1,-0.1 2,-0.3 2,-0.1 3,-0.0 0.631 98.3 26.8 -73.4 -16.6 9.6 54.2 10.5 87 91 A Q S S- 0 0 131 27,-0.1 -1,-0.1 -58,-0.0 27,-0.0 -0.984 107.3 -79.5-138.8 151.1 9.0 57.0 13.0 88 92 A K - 0 0 104 -2,-0.3 2,-0.3 27,-0.1 27,-0.2 -0.125 49.6-137.1 -47.1 138.9 7.6 56.9 16.6 89 93 A A E - e 0 115B 0 25,-3.0 27,-2.3 1,-0.1 -59,-0.2 -0.740 20.0-161.7-101.4 146.8 3.8 56.7 16.7 90 94 A D E S+ 0 0 13 -61,-1.6 30,-2.1 -2,-0.3 2,-0.3 0.545 87.6 30.2 -98.1 -8.7 1.4 58.5 19.0 91 95 A L E -ce 30 120B 0 -62,-1.1 -60,-1.7 28,-0.2 2,-0.5 -0.954 54.9-178.2-149.1 127.6 -1.3 56.0 18.2 92 96 A L E -ce 31 121B 0 28,-3.1 30,-2.8 -2,-0.3 2,-0.5 -0.947 20.3-179.2-121.7 102.9 -1.1 52.3 17.4 93 97 A Y E +ce 32 122B 0 -62,-2.8 -60,-3.4 -2,-0.5 2,-0.4 -0.899 8.2 174.6-112.2 128.8 -4.7 51.2 16.8 94 98 A A E - e 0 123B 0 28,-3.1 30,-2.2 -2,-0.5 2,-0.7 -0.823 6.3-174.3-140.6 98.8 -5.5 47.6 15.9 95 99 A N E S- e 0 124B 9 -62,-0.5 30,-0.1 -2,-0.4 -55,-0.1 -0.854 73.3 -21.3 -99.6 118.3 -9.1 46.4 15.6 96 100 A A S S+ 0 0 12 28,-2.5 -1,-0.2 -2,-0.7 29,-0.2 0.819 109.8 96.2 56.8 42.8 -9.6 42.6 15.1 97 101 A V > + 0 0 0 27,-0.5 3,-2.5 -3,-0.2 4,-0.2 0.668 61.3 70.8-116.1 -42.0 -6.1 41.8 13.7 98 102 A F G > S+ 0 0 0 1,-0.3 3,-1.2 26,-0.3 6,-0.2 0.669 82.5 72.3 -66.4 -17.8 -4.0 40.5 16.5 99 103 A Q G 3 S+ 0 0 55 1,-0.2 -1,-0.3 25,-0.2 26,-0.1 0.692 99.2 52.2 -59.0 -19.6 -5.8 37.2 16.9 100 104 A W G < S+ 0 0 157 -3,-2.5 -1,-0.2 2,-0.1 -2,-0.2 0.481 91.5 89.3 -97.1 -5.4 -4.1 36.2 13.6 101 105 A V S X S- 0 0 8 -3,-1.2 3,-0.8 -4,-0.2 6,-0.1 -0.860 82.4-119.6-100.8 118.5 -0.6 37.1 14.7 102 106 A P T 3 S+ 0 0 95 0, 0.0 5,-0.2 0, 0.0 -2,-0.1 -0.236 95.4 2.2 -50.7 139.1 1.5 34.3 16.4 103 107 A D T 3> S+ 0 0 108 1,-0.1 4,-1.5 3,-0.1 3,-0.4 0.902 80.9 176.3 44.1 54.3 2.5 35.2 20.0 104 108 A H H <> + 0 0 22 -3,-0.8 4,-2.9 1,-0.2 5,-0.2 0.817 69.4 61.7 -60.0 -33.2 0.6 38.5 19.8 105 109 A L H > S+ 0 0 30 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.911 104.2 47.7 -64.4 -42.5 1.3 39.5 23.4 106 110 A A H > S+ 0 0 60 -3,-0.4 4,-1.9 2,-0.2 -1,-0.2 0.895 112.0 52.2 -58.6 -41.0 5.1 39.5 22.8 107 111 A V H X S+ 0 0 17 -4,-1.5 4,-2.2 1,-0.2 -2,-0.2 0.929 108.6 50.2 -62.2 -47.9 4.4 41.6 19.6 108 112 A L H X S+ 0 0 0 -4,-2.9 4,-1.6 2,-0.2 -1,-0.2 0.902 108.7 50.7 -55.4 -48.3 2.3 44.1 21.6 109 113 A S H < S+ 0 0 26 -4,-2.2 4,-0.5 1,-0.2 -1,-0.2 0.912 112.4 47.2 -61.4 -39.8 4.9 44.7 24.3 110 114 A Q H >< S+ 0 0 128 -4,-1.9 3,-1.1 1,-0.2 4,-0.3 0.857 106.8 58.0 -66.4 -38.6 7.6 45.3 21.6 111 115 A L H >< S+ 0 0 7 -4,-2.2 3,-2.0 1,-0.2 -1,-0.2 0.840 92.6 68.1 -63.5 -30.7 5.3 47.7 19.8 112 116 A X G >< S+ 0 0 0 -4,-1.6 3,-1.4 1,-0.3 -1,-0.2 0.803 91.0 63.6 -54.1 -31.9 5.0 49.8 23.0 113 117 A D G < S+ 0 0 68 -3,-1.1 -1,-0.3 -4,-0.5 -2,-0.2 0.695 97.1 57.5 -66.1 -19.7 8.7 50.7 22.4 114 118 A Q G < S+ 0 0 27 -3,-2.0 -25,-3.0 -4,-0.3 2,-0.4 0.342 89.8 92.4 -95.4 3.4 7.6 52.4 19.1 115 119 A L E < S-e 89 0B 2 -3,-1.4 -25,-0.2 -27,-0.2 2,-0.1 -0.789 74.7-128.3 -93.9 140.8 5.2 54.7 20.9 116 120 A E E > - 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0 0 27 -4,-1.5 3,-1.4 -3,-0.3 4,-0.3 0.157 17.7 -88.8 96.7 147.8 -12.4 18.1 1.4 206 216 A E G > S+ 0 0 192 1,-0.3 3,-1.1 2,-0.2 4,-0.4 0.810 123.9 60.2 -55.2 -39.4 -14.6 19.4 -1.4 207 217 A E G 3 S+ 0 0 182 1,-0.2 -1,-0.3 2,-0.1 4,-0.2 0.730 111.1 41.2 -64.6 -23.6 -16.4 16.0 -1.7 208 218 A N G <> S+ 0 0 44 -3,-1.4 4,-2.9 -7,-0.2 -1,-0.2 0.344 84.7 100.9-106.0 5.3 -17.5 16.4 1.9 209 219 A R H <> S+ 0 0 107 -3,-1.1 4,-2.8 -4,-0.3 5,-0.2 0.928 84.0 44.8 -58.6 -51.7 -18.5 20.1 1.9 210 220 A E H > S+ 0 0 175 -4,-0.4 4,-2.0 1,-0.2 -1,-0.2 0.876 117.1 45.0 -61.6 -42.0 -22.2 19.6 1.6 211 221 A A H > S+ 0 0 47 -4,-0.2 4,-2.2 2,-0.2 5,-0.2 0.885 113.6 49.8 -70.6 -42.9 -22.4 16.9 4.2 212 222 A F H X S+ 0 0 0 -4,-2.9 4,-2.8 2,-0.2 -2,-0.2 0.960 113.2 46.4 -56.6 -54.5 -20.1 18.8 6.6 213 223 A L H X S+ 0 0 25 -4,-2.8 4,-2.2 -5,-0.2 -2,-0.2 0.868 110.8 53.2 -59.7 -39.9 -22.2 22.0 6.2 214 224 A A H X S+ 0 0 37 -4,-2.0 4,-2.0 -5,-0.2 -1,-0.2 0.929 113.2 42.4 -60.2 -48.5 -25.5 20.0 6.7 215 225 A D H X S+ 0 0 36 -4,-2.2 4,-2.0 1,-0.2 -2,-0.2 0.903 113.4 53.1 -64.7 -42.6 -24.4 18.4 9.9 216 226 A Y H X S+ 0 0 0 -4,-2.8 4,-2.0 -5,-0.2 -2,-0.2 0.884 108.3 50.5 -58.8 -40.6 -22.9 21.7 11.1 217 227 A T H X S+ 0 0 34 -4,-2.2 4,-2.8 2,-0.2 -1,-0.2 0.897 107.4 52.9 -66.8 -44.8 -26.2 23.5 10.5 218 228 A R H X S+ 0 0 159 -4,-2.0 4,-2.1 1,-0.2 -1,-0.2 0.879 110.3 49.3 -53.2 -43.1 -28.2 20.9 12.5 219 229 A R H X S+ 0 0 71 -4,-2.0 4,-1.8 2,-0.2 -2,-0.2 0.891 110.1 49.5 -67.7 -40.2 -25.7 21.5 15.4 220 230 A I H X S+ 0 0 0 -4,-2.0 4,-1.7 2,-0.2 -2,-0.2 0.928 110.1 51.5 -61.1 -45.5 -26.2 25.2 15.2 221 231 A A H < S+ 0 0 57 -4,-2.8 -2,-0.2 1,-0.2 -1,-0.2 0.890 113.6 45.0 -61.0 -38.9 -30.0 24.8 15.1 222 232 A A H < S+ 0 0 89 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.831 114.8 47.9 -71.0 -31.9 -29.7 22.6 18.3 223 233 A A H < S+ 0 0 45 -4,-1.8 -2,-0.2 1,-0.2 -1,-0.2 0.668 102.9 61.4 -90.0 -18.6 -27.3 24.9 20.1 224 234 A Y S < S- 0 0 11 -4,-1.7 -1,-0.2 -5,-0.1 10,-0.1 -0.856 75.7-151.4-113.7 93.5 -29.0 28.3 19.6 225 235 A P - 0 0 100 0, 0.0 8,-0.3 0, 0.0 -3,-0.1 -0.367 25.0-111.4 -65.3 136.2 -32.5 28.3 21.3 226 236 A P - 0 0 91 0, 0.0 6,-0.2 0, 0.0 5,-0.1 -0.343 23.7-125.3 -67.4 149.6 -35.0 30.7 19.6 227 237 A X > - 0 0 10 4,-3.1 3,-2.4 1,-0.1 174,-0.1 -0.329 43.0 -87.8 -78.2 172.6 -36.2 33.8 21.3 228 238 A A T 3 S+ 0 0 86 1,-0.3 -1,-0.1 172,-0.2 173,-0.0 0.817 132.3 52.0 -57.0 -31.0 -40.0 34.3 21.7 229 239 A D T 3 S- 0 0 87 2,-0.1 -1,-0.3 1,-0.0 3,-0.1 0.432 121.3-108.7 -85.0 1.5 -40.0 36.0 18.2 230 240 A G S < S+ 0 0 42 -3,-2.4 -2,-0.1 1,-0.3 -1,-0.0 0.152 77.2 129.7 94.4 -17.0 -38.2 33.1 16.7 231 241 A R - 0 0 84 -5,-0.1 -4,-3.1 1,-0.1 -1,-0.3 -0.325 54.1-128.7 -65.2 149.8 -34.8 34.9 16.1 232 242 A L E - G 0 182B 13 -50,-2.7 -50,-2.6 -6,-0.2 2,-0.6 -0.575 14.1-132.5 -93.6 165.4 -31.6 33.3 17.4 233 243 A L E - G 0 181B 23 -8,-0.3 2,-0.5 -52,-0.2 167,-0.1 -0.912 17.7-166.0-129.5 104.8 -29.1 35.1 19.6 234 244 A L E - G 0 180B 3 -54,-2.8 -54,-3.4 -2,-0.6 2,-0.3 -0.793 11.4-145.8 -93.0 129.7 -25.5 35.0 18.6 235 245 A R E - G 0 179B 106 -2,-0.5 -56,-0.2 -56,-0.2 -58,-0.0 -0.709 8.7-164.2 -94.8 142.0 -22.9 36.1 21.1 236 246 A F E - G 0 178B 12 -58,-2.8 -58,-2.4 -2,-0.3 2,-0.3 -0.829 6.5-164.5-126.0 93.5 -19.6 37.9 20.2 237 247 A P E + G 0 177B 6 0, 0.0 -110,-2.8 0, 0.0 2,-0.3 -0.631 16.2 179.5 -74.6 131.7 -17.1 37.9 23.1 238 248 A R E -FG 126 176B 44 -62,-2.2 -62,-2.7 -2,-0.3 2,-0.4 -0.998 21.6-142.0-141.1 138.2 -14.3 40.4 22.5 239 249 A L E -FG 125 175B 4 -114,-3.3 -114,-2.7 -2,-0.3 2,-0.4 -0.855 16.3-164.6-103.9 134.1 -11.2 41.5 24.5 240 250 A F E -FG 124 174B 0 -66,-3.0 -66,-2.1 -2,-0.4 2,-0.4 -0.970 6.7-176.9-122.5 135.2 -10.1 45.1 24.6 241 251 A V E +FG 123 173B 0 -118,-3.0 -118,-2.8 -2,-0.4 2,-0.5 -0.988 3.2 179.9-134.0 125.2 -6.8 46.5 25.7 242 252 A V E +FG 122 172B 8 -70,-3.1 -70,-2.7 -2,-0.4 2,-0.4 -0.972 6.6 179.9-128.1 119.2 -5.8 50.1 25.9 243 253 A A E -FG 121 171B 0 -122,-2.9 -122,-2.9 -2,-0.5 2,-0.6 -0.956 17.4-150.4-121.2 137.5 -2.2 51.2 27.1 244 254 A V E -FG 120 170B 13 -74,-2.6 -75,-2.5 -2,-0.4 -74,-1.0 -0.925 30.1-117.2-107.7 117.9 -0.8 54.7 27.5 245 255 A K E G 0 168B 36 -126,-3.3 -127,-2.4 -2,-0.6 -77,-0.3 -0.283 360.0 360.0 -59.2 132.0 3.0 54.8 27.0 246 256 A K 0 0 160 -79,-2.6 -78,-0.2 -129,-0.2 -1,-0.1 0.862 360.0 360.0 -52.0 360.0 5.1 55.9 30.0 247 !* 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 248 12 B E 0 0 187 0, 0.0 2,-0.3 0, 0.0 5,-0.0 0.000 360.0 360.0 360.0 137.7 -12.0 60.7 35.0 249 13 B D > - 0 0 57 1,-0.1 3,-1.2 2,-0.0 4,-0.4 -0.527 360.0-144.5 -81.8 133.4 -13.3 58.3 37.6 250 14 B E G > S+ 0 0 103 -2,-0.3 3,-0.7 1,-0.2 -1,-0.1 0.771 102.2 66.7 -60.1 -23.8 -13.3 54.6 37.0 251 15 B R G 3 S+ 0 0 163 1,-0.2 4,-0.3 2,-0.1 -1,-0.2 0.772 101.2 45.7 -70.0 -26.3 -16.5 54.6 39.1 252 16 B T G <> S+ 0 0 6 -3,-1.2 4,-2.2 1,-0.1 -1,-0.2 0.473 85.5 97.1 -93.4 -2.9 -18.3 56.6 36.4 253 17 B R H <> S+ 0 0 17 -3,-0.7 4,-2.5 -4,-0.4 5,-0.2 0.900 82.9 47.8 -56.5 -47.3 -17.1 54.4 33.4 254 18 B P H > S+ 0 0 7 0, 0.0 4,-2.3 0, 0.0 -1,-0.2 0.920 112.0 51.3 -60.5 -40.9 -20.2 52.2 33.2 255 19 B A H > S+ 0 0 1 -4,-0.3 4,-2.4 1,-0.2 -2,-0.2 0.902 112.4 45.6 -62.2 -42.3 -22.5 55.2 33.3 256 20 B R H X S+ 0 0 62 -4,-2.2 4,-2.2 2,-0.2 -1,-0.2 0.884 111.8 51.3 -66.5 -43.3 -20.5 56.9 30.4 257 21 B D H X S+ 0 0 27 -4,-2.5 4,-0.5 -5,-0.2 -2,-0.2 0.849 112.0 48.2 -63.6 -37.7 -20.4 53.7 28.4 258 22 B L H >< S+ 0 0 0 -4,-2.3 3,-1.3 -5,-0.2 4,-0.3 0.949 112.2 47.4 -64.4 -51.4 -24.2 53.4 28.8 259 23 B L H >< S+ 0 0 15 -4,-2.4 3,-1.8 1,-0.3 -2,-0.2 0.848 102.1 64.5 -60.5 -36.9 -24.9 57.0 27.8 260 24 B A H 3< S+ 0 0 68 -4,-2.2 -1,-0.3 1,-0.3 -2,-0.2 0.763 101.2 53.2 -58.6 -24.8 -22.6 56.7 24.8 261 25 B Q T << S+ 0 0 38 -3,-1.3 -1,-0.3 -4,-0.5 -2,-0.2 0.455 78.2 109.0 -92.4 -1.8 -25.1 54.1 23.4 262 26 B V < - 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