==== 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 23-JAN-06 2FT0 . COMPND 2 MOLECULE: TDP-FUCOSAMINE ACETYLTRANSFERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR M.N.HUNG,E.RANGARAJAN,C.MUNGER,G.NADEAU,T.SULEA,A.MATTE,MONT . 444 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 20173.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 311 70.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 18 4.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 105 23.6 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 . 4 0.9 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-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 . 1 0.2 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 . 21 4.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 38 8.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 111 25.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 9 2.0 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 1 3 0 2 0 0 3 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 2 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 PARALLEL BRIDGES PER LADDER . 2 2 0 0 6 1 3 0 2 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 2 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 V 0 0 85 0, 0.0 30,-3.2 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 136.4 39.5 60.0 58.4 2 4 A R B +A 30 0A 112 28,-0.3 23,-2.1 23,-0.1 2,-0.3 -0.940 360.0 158.9-122.1 144.8 39.5 57.0 56.2 3 5 A A E -B 24 0B 3 26,-2.4 2,-0.3 -2,-0.4 21,-0.2 -0.982 36.7-119.9-161.9 147.5 36.4 55.3 54.6 4 6 A S E -B 23 0B 28 19,-1.9 19,-2.1 -2,-0.3 2,-0.4 -0.656 24.2-154.1 -84.0 149.5 35.4 53.0 51.8 5 7 A I E +B 22 0B 33 -2,-0.3 17,-0.2 17,-0.2 -2,-0.0 -0.975 18.8 175.7-129.1 117.0 32.9 54.4 49.3 6 8 A E E -B 21 0B 100 15,-2.4 15,-2.9 -2,-0.4 -2,-0.0 -0.952 32.8-105.7-128.5 139.7 30.7 51.9 47.5 7 9 A P E -B 20 0B 61 0, 0.0 2,-1.5 0, 0.0 13,-0.3 -0.334 24.2-128.5 -61.6 141.2 27.8 52.2 45.1 8 10 A L > - 0 0 26 11,-2.0 4,-2.7 1,-0.2 11,-0.2 -0.698 33.9-174.4 -89.1 81.0 24.3 51.5 46.4 9 11 A T H > S+ 0 0 112 -2,-1.5 4,-1.6 1,-0.2 -1,-0.2 0.853 73.8 40.7 -51.0 -52.4 23.7 49.1 43.5 10 12 A W H > S+ 0 0 129 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.925 117.1 47.4 -66.9 -47.3 20.0 48.3 44.2 11 13 A E H > S+ 0 0 22 1,-0.2 4,-3.2 2,-0.2 5,-0.4 0.858 107.3 57.9 -66.2 -34.5 19.0 51.8 45.2 12 14 A N H X>S+ 0 0 26 -4,-2.7 5,-1.3 1,-0.2 4,-1.3 0.921 112.5 39.4 -61.8 -44.9 20.7 53.3 42.1 13 15 A A H <5S+ 0 0 90 -4,-1.6 -1,-0.2 -5,-0.2 -2,-0.2 0.887 119.2 48.1 -69.7 -39.8 18.7 51.2 39.8 14 16 A F H <5S+ 0 0 28 -4,-2.4 -2,-0.2 1,-0.2 -3,-0.2 0.908 124.4 27.0 -71.3 -45.1 15.5 51.5 41.8 15 17 A F H <5S- 0 0 30 -4,-3.2 -1,-0.2 -5,-0.2 -3,-0.2 0.609 103.8-121.3 -91.8 -16.7 15.5 55.3 42.3 16 18 A G T <5 + 0 0 67 -4,-1.3 2,-0.3 -5,-0.4 -3,-0.2 0.959 68.6 126.5 69.0 54.2 17.5 56.1 39.1 17 19 A V < - 0 0 48 -5,-1.3 2,-0.5 -6,-0.2 -1,-0.2 -0.840 66.0-124.7-134.2 168.9 20.3 57.9 41.1 18 20 A N + 0 0 81 -2,-0.3 22,-2.7 -3,-0.1 23,-0.9 -0.662 54.2 152.0-116.0 74.4 24.1 57.7 41.4 19 21 A S E - c 0 41B 0 -2,-0.5 -11,-2.0 -11,-0.2 2,-0.3 -0.676 23.8-170.2-110.5 159.9 24.5 57.2 45.1 20 22 A A E -Bc 7 42B 0 21,-1.8 23,-2.6 -13,-0.3 2,-0.4 -0.917 18.5-127.2-140.8 163.8 27.0 55.5 47.3 21 23 A I E -Bc 6 43B 18 -15,-2.9 -15,-2.4 -2,-0.3 2,-0.5 -0.946 18.2-148.2-117.8 138.2 27.4 54.5 51.0 22 24 A V E -Bc 5 44B 3 21,-3.1 23,-0.6 -2,-0.4 2,-0.4 -0.894 11.4-173.6-104.7 129.2 30.4 55.6 53.1 23 25 A R E -B 4 0B 131 -19,-2.1 -19,-1.9 -2,-0.5 2,-0.1 -0.934 20.7-136.2-127.7 114.4 31.8 53.3 55.9 24 26 A I E +B 3 0B 41 -2,-0.4 -21,-0.3 -21,-0.2 2,-0.3 -0.403 42.3 141.2 -68.5 131.7 34.5 54.7 58.1 25 27 A T - 0 0 69 -23,-2.1 3,-0.3 4,-0.2 -23,-0.1 -0.969 57.1-115.3-167.9 157.8 37.4 52.3 58.8 26 28 A S S S+ 0 0 98 -2,-0.3 2,-1.2 1,-0.2 -23,-0.1 0.842 106.0 60.9 -74.4 -33.6 41.2 52.2 59.1 27 29 A E S S+ 0 0 186 -25,-0.1 -1,-0.2 -3,-0.1 -23,-0.0 -0.469 92.4 81.2 -96.4 62.6 41.9 50.0 56.1 28 30 A A S S- 0 0 15 -2,-1.2 -24,-0.2 -3,-0.3 3,-0.1 -0.959 86.4 -79.7-154.7 164.0 40.4 52.3 53.4 29 31 A P - 0 0 91 0, 0.0 -26,-2.4 0, 0.0 -4,-0.2 -0.273 63.3 -79.8 -67.0 156.9 41.4 55.4 51.4 30 32 A L B -A 2 0A 100 -28,-0.3 2,-0.7 1,-0.1 -28,-0.3 -0.254 43.8-121.8 -53.3 140.4 41.3 58.8 53.0 31 33 A L + 0 0 10 -30,-3.2 -1,-0.1 -3,-0.1 -27,-0.1 -0.834 49.6 160.6 -90.7 114.0 37.8 60.3 53.0 32 34 A T > - 0 0 47 -2,-0.7 4,-1.7 1,-0.1 5,-0.2 -0.874 56.7-107.2-132.1 159.9 38.0 63.6 51.1 33 35 A P H > S+ 0 0 78 0, 0.0 4,-1.0 0, 0.0 3,-0.1 0.888 121.5 54.1 -52.5 -40.5 35.8 66.1 49.3 34 36 A D H >4 S+ 0 0 138 1,-0.2 3,-0.7 2,-0.2 -3,-0.0 0.917 105.7 50.4 -63.8 -41.3 37.3 64.7 46.0 35 37 A A H 34 S+ 0 0 34 1,-0.2 -1,-0.2 2,-0.1 -4,-0.1 0.815 113.2 47.8 -63.4 -32.3 36.4 61.1 46.9 36 38 A L H >< S+ 0 0 2 -4,-1.7 3,-0.7 1,-0.2 -1,-0.2 0.626 92.6 85.4 -81.5 -14.6 32.8 62.3 47.6 37 39 A A T << S+ 0 0 64 -4,-1.0 2,-0.8 -3,-0.7 -1,-0.2 0.833 74.3 61.9 -60.2 -45.6 32.5 64.3 44.4 38 40 A P T 3 S+ 0 0 85 0, 0.0 2,-0.4 0, 0.0 -1,-0.2 -0.012 89.7 86.8 -82.5 34.8 31.4 61.8 41.7 39 41 A W < - 0 0 60 -2,-0.8 -20,-0.2 -3,-0.7 3,-0.1 -0.985 64.7-148.6-132.7 145.2 28.1 60.9 43.4 40 42 A S S S+ 0 0 64 -22,-2.7 2,-0.3 -2,-0.4 -21,-0.2 0.688 92.8 6.8 -79.6 -20.5 24.6 62.4 43.3 41 43 A R E -c 19 0B 45 -23,-0.9 -21,-1.8 -5,-0.0 2,-0.4 -0.943 65.4-160.9-160.7 135.4 24.0 61.4 46.9 42 44 A V E -c 20 0B 3 -2,-0.3 180,-2.3 -23,-0.2 2,-0.3 -0.991 10.0-162.6-123.2 136.5 26.2 59.8 49.6 43 45 A Q E -cD 21 221B 0 -23,-2.6 -21,-3.1 -2,-0.4 2,-0.3 -0.833 6.6-175.1-113.8 151.0 24.9 58.0 52.7 44 46 A A E -cD 22 220B 2 176,-2.1 176,-2.8 -2,-0.3 2,-0.5 -0.976 9.1-161.6-142.2 134.6 26.6 57.1 56.0 45 47 A K E + D 0 219B 117 -23,-0.6 2,-0.3 -2,-0.3 174,-0.2 -0.980 21.6 175.7-113.3 122.9 25.2 55.1 58.9 46 48 A I E - D 0 218B 8 172,-2.5 172,-2.7 -2,-0.5 2,-0.1 -0.901 38.1 -97.6-127.2 152.0 27.1 55.6 62.2 47 49 A A E > - D 0 217B 46 -2,-0.3 3,-1.7 170,-0.2 170,-0.3 -0.478 33.4-129.0 -61.0 137.0 26.7 54.4 65.8 48 50 A A T 3 S+ 0 0 10 168,-2.3 373,-0.4 1,-0.3 169,-0.2 0.795 108.2 58.1 -60.5 -27.1 25.0 57.2 67.8 49 51 A S T 3 S+ 0 0 82 167,-0.4 2,-1.6 372,-0.2 -1,-0.3 0.654 83.9 89.5 -74.0 -16.5 27.8 56.9 70.4 50 52 A N <> + 0 0 60 -3,-1.7 4,-1.8 1,-0.2 -1,-0.2 -0.580 42.3 160.3 -90.7 80.7 30.4 57.7 67.8 51 53 A T H > S+ 0 0 37 -2,-1.6 4,-2.5 1,-0.2 -1,-0.2 0.750 71.1 64.7 -72.2 -23.2 30.6 61.5 68.0 52 54 A G H > S+ 0 0 51 2,-0.2 4,-2.0 -3,-0.2 -1,-0.2 0.924 107.2 41.2 -62.8 -45.0 34.1 61.4 66.4 53 55 A E H > S+ 0 0 43 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.871 111.7 57.5 -68.3 -38.3 32.6 60.0 63.2 54 56 A L H X S+ 0 0 4 -4,-1.8 4,-2.5 1,-0.2 -2,-0.2 0.961 111.6 40.9 -56.9 -51.5 29.6 62.3 63.4 55 57 A D H X S+ 0 0 31 -4,-2.5 4,-2.3 1,-0.2 -1,-0.2 0.857 111.2 56.3 -72.3 -30.5 31.8 65.4 63.5 56 58 A A H X S+ 0 0 25 -4,-2.0 4,-0.7 -5,-0.2 -1,-0.2 0.924 113.0 42.4 -59.5 -44.7 34.2 64.0 60.8 57 59 A L H ><>S+ 0 0 0 -4,-2.4 5,-2.3 2,-0.2 3,-0.7 0.889 111.4 53.8 -73.0 -37.4 31.2 63.6 58.5 58 60 A Q H ><5S+ 0 0 29 -4,-2.5 3,-1.7 1,-0.3 -1,-0.2 0.885 103.7 57.4 -65.7 -34.5 29.6 67.0 59.4 59 61 A Q H 3<5S+ 0 0 177 -4,-2.3 -1,-0.3 1,-0.3 -2,-0.2 0.779 105.6 51.7 -61.8 -27.3 33.0 68.6 58.5 60 62 A L T <<5S- 0 0 26 -4,-0.7 -1,-0.3 -3,-0.7 -2,-0.2 0.308 129.2 -97.8 -93.9 8.9 32.5 67.1 55.1 61 63 A G T < 5S+ 0 0 46 -3,-1.7 -3,-0.2 1,-0.3 2,-0.2 0.599 70.7 149.9 90.7 11.8 29.0 68.5 54.8 62 64 A F < - 0 0 6 -5,-2.3 2,-0.3 -8,-0.1 -1,-0.3 -0.503 28.1-156.7 -73.5 147.9 26.9 65.5 55.8 63 65 A S E -E 221 0B 37 158,-2.8 158,-2.3 -2,-0.2 2,-0.2 -0.927 23.5 -98.8-125.5 149.7 23.5 66.3 57.5 64 66 A L E +E 220 0B 0 -2,-0.3 156,-0.3 156,-0.2 3,-0.1 -0.455 35.8 171.3 -64.4 134.3 21.3 64.2 59.8 65 67 A V E - 0 0 1 154,-2.9 2,-0.3 1,-0.4 155,-0.2 0.756 62.5 -39.3-107.0 -49.3 18.4 62.5 58.1 66 68 A E E -E 219 0B 13 153,-1.4 153,-3.1 40,-0.1 -1,-0.4 -0.977 47.4-117.5-170.7 162.8 17.2 60.4 61.0 67 69 A G E -E 218 0B 0 -2,-0.3 130,-2.6 151,-0.2 2,-0.4 -0.778 24.2-156.7-104.8 153.2 18.1 58.2 63.9 68 70 A E E -EF 217 196B 25 149,-2.6 149,-2.2 -2,-0.3 2,-0.4 -0.968 6.5-158.1-130.3 146.2 17.3 54.5 64.4 69 71 A V E -EF 216 195B 7 126,-2.9 126,-2.4 -2,-0.4 2,-0.5 -0.993 9.2-157.8-121.0 129.7 16.9 52.3 67.4 70 72 A D E -EF 215 194B 26 145,-2.8 144,-3.1 -2,-0.4 145,-1.8 -0.936 17.5-178.9-107.8 133.7 17.3 48.5 67.0 71 73 A L E -EF 213 193B 0 122,-2.9 122,-2.3 -2,-0.5 2,-0.3 -0.775 11.7-160.2-126.4 163.0 15.7 46.3 69.7 72 74 A A E -EF 212 192B 13 140,-2.2 140,-2.3 -2,-0.3 120,-0.2 -0.995 3.8-171.9-143.0 151.2 15.4 42.6 70.5 73 75 A L E - F 0 191B 2 118,-2.6 118,-2.9 -2,-0.3 138,-0.1 -0.989 30.6-106.2-136.7 150.6 13.2 40.4 72.5 74 76 A P E - F 0 190B 72 0, 0.0 2,-0.8 0, 0.0 116,-0.2 -0.443 27.3-127.6 -69.0 146.6 13.3 36.8 73.5 75 77 A V + 0 0 14 114,-2.7 3,-0.1 -2,-0.1 106,-0.0 -0.881 58.5 129.3 -95.4 109.9 10.9 34.4 71.8 76 78 A N + 0 0 118 -2,-0.8 2,-1.1 1,-0.1 -1,-0.1 0.336 55.4 25.3-123.6-106.2 9.2 32.6 74.7 77 79 A N S S- 0 0 159 1,-0.0 2,-0.2 2,-0.0 -1,-0.1 -0.580 76.8-178.9 -77.4 93.1 5.5 32.1 75.5 78 80 A V + 0 0 33 -2,-1.1 2,-0.3 102,-0.1 100,-0.1 -0.567 12.3 172.2-103.4 159.6 3.8 32.3 72.1 79 81 A S - 0 0 63 98,-0.3 2,-0.6 -2,-0.2 102,-0.2 -0.909 36.9 -86.4-152.1 179.1 0.2 32.0 70.7 80 82 A D - 0 0 121 -2,-0.3 98,-0.1 1,-0.1 97,-0.0 -0.817 23.0-175.2-102.6 114.2 -1.9 32.4 67.6 81 83 A S - 0 0 32 -2,-0.6 -1,-0.1 93,-0.1 97,-0.1 0.586 51.1-111.9 -77.7 -14.4 -3.3 35.9 66.7 82 84 A G + 0 0 51 1,-0.3 59,-0.2 58,-0.1 57,-0.1 0.455 64.1 156.8 90.9 2.7 -5.3 34.4 63.8 83 85 A A - 0 0 26 91,-0.1 2,-0.3 57,-0.1 -1,-0.3 -0.215 28.6-146.8 -57.2 151.3 -3.1 36.3 61.3 84 86 A V E -G 139 0B 63 55,-2.8 55,-3.3 3,-0.0 2,-0.4 -0.848 21.2-100.1-122.0 156.8 -2.9 34.9 57.8 85 87 A V E -G 138 0B 62 -2,-0.3 53,-0.2 53,-0.2 2,-0.1 -0.617 45.5-113.9 -76.1 128.4 -0.1 34.8 55.2 86 88 A A - 0 0 4 51,-3.1 2,-0.2 -2,-0.4 51,-0.2 -0.395 33.3-155.3 -61.9 144.7 -0.5 37.5 52.7 87 89 A Q > - 0 0 112 -2,-0.1 3,-2.2 43,-0.0 4,-0.5 -0.681 33.7 -95.0-118.2 167.8 -1.3 36.4 49.1 88 90 A E G > S+ 0 0 129 1,-0.3 3,-1.6 -2,-0.2 42,-0.1 0.854 122.4 61.3 -52.6 -37.9 -0.8 38.0 45.7 89 91 A T G 3 S+ 0 0 126 1,-0.3 4,-0.3 2,-0.1 -1,-0.3 0.667 99.5 56.6 -64.1 -18.2 -4.3 39.3 45.7 90 92 A D G <> S+ 0 0 19 -3,-2.2 4,-2.5 1,-0.1 -1,-0.3 0.547 82.7 90.9 -86.6 -12.7 -3.4 41.4 48.9 91 93 A I H <> S+ 0 0 6 -3,-1.6 4,-3.0 -4,-0.5 5,-0.3 0.916 81.7 50.3 -55.7 -51.7 -0.5 43.2 47.1 92 94 A P H > S+ 0 0 89 0, 0.0 4,-2.1 0, 0.0 -1,-0.2 0.935 115.2 44.0 -54.4 -46.0 -2.4 46.2 45.8 93 95 A A H > S+ 0 0 49 -4,-0.3 4,-2.5 1,-0.2 -2,-0.2 0.906 114.9 48.6 -65.7 -41.9 -4.0 47.0 49.2 94 96 A L H X S+ 0 0 0 -4,-2.5 4,-3.0 2,-0.2 5,-0.3 0.904 109.7 51.6 -66.5 -40.4 -0.7 46.4 51.1 95 97 A R H X S+ 0 0 74 -4,-3.0 4,-2.5 -5,-0.2 5,-0.2 0.930 111.2 49.1 -60.1 -45.7 1.3 48.6 48.7 96 98 A Q H X S+ 0 0 141 -4,-2.1 4,-1.5 -5,-0.3 -2,-0.2 0.931 114.6 44.5 -58.0 -47.3 -1.3 51.4 49.2 97 99 A L H X S+ 0 0 71 -4,-2.5 4,-2.7 1,-0.2 -2,-0.2 0.928 115.5 46.0 -64.4 -46.2 -1.1 51.0 53.0 98 100 A A H X S+ 0 0 0 -4,-3.0 4,-1.9 1,-0.2 -2,-0.2 0.891 107.8 55.8 -70.2 -38.9 2.7 50.8 53.2 99 101 A S H < S+ 0 0 30 -4,-2.5 -1,-0.2 -5,-0.3 -2,-0.2 0.911 116.2 39.2 -58.3 -39.8 3.3 53.7 50.9 100 102 A A H >< S+ 0 0 70 -4,-1.5 3,-1.1 -5,-0.2 -2,-0.2 0.913 114.5 50.6 -75.5 -44.8 1.1 55.9 53.2 101 103 A A H 3< S+ 0 0 60 -4,-2.7 3,-0.3 1,-0.3 -2,-0.2 0.808 114.7 41.2 -67.9 -31.8 2.2 54.6 56.6 102 104 A F T >< S+ 0 0 43 -4,-1.9 3,-0.7 -5,-0.2 -1,-0.3 -0.020 76.0 125.0-110.8 30.7 6.0 54.9 56.1 103 105 A A T < + 0 0 44 -3,-1.1 2,-0.9 1,-0.3 -1,-0.2 0.839 64.5 58.4 -59.4 -44.0 6.0 58.3 54.3 104 106 A Q T 3 S+ 0 0 101 -3,-0.3 -1,-0.3 4,-0.1 170,-0.0 -0.163 81.6 134.1 -89.4 45.0 8.5 60.2 56.5 105 107 A S S X S- 0 0 1 -2,-0.9 3,-1.5 -3,-0.7 12,-0.1 -0.070 78.4 -86.1 -82.1-176.3 11.3 57.7 56.0 106 108 A R T 3 S+ 0 0 35 1,-0.3 -1,-0.1 11,-0.1 -2,-0.1 0.406 126.0 64.0 -75.0 3.5 14.9 58.4 55.2 107 109 A F T 3 S+ 0 0 1 -4,-0.1 10,-0.5 4,-0.1 -1,-0.3 0.139 79.6 127.0-108.0 16.9 13.9 58.5 51.6 108 110 A R X> - 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0 0 22 -12,-2.5 2,-0.3 -2,-0.5 -1,-0.2 0.919 67.7 -0.2 -84.0 -71.0 19.7 63.9 87.4 388 167 B L E + 0 0 11 -13,-0.1 -13,-2.7 -41,-0.1 -1,-0.4 -0.924 62.4 178.2-122.8 148.8 23.0 61.9 87.3 389 168 B L E +S 374 0D 27 -2,-0.3 2,-0.3 -15,-0.2 -15,-0.2 -0.951 11.5 154.6-151.4 126.9 23.6 58.2 87.7 390 169 B A E +S 373 0D 20 -17,-2.3 -17,-2.3 -2,-0.3 2,-0.1 -0.980 11.5 120.6-157.4 140.7 26.9 56.2 87.5 391 170 B G > - 0 0 26 -2,-0.3 3,-2.4 -19,-0.2 4,-0.3 -0.142 50.6-122.4 159.5 101.8 28.5 53.1 88.8 392 171 B R T 3 S+ 0 0 252 1,-0.3 -2,-0.0 2,-0.2 0, 0.0 -0.322 101.6 2.9 -53.2 126.9 29.8 50.1 86.8 393 172 B G T 3 S+ 0 0 73 1,-0.1 -1,-0.3 -2,-0.0 4,-0.2 0.465 115.6 87.6 72.7 2.7 28.0 47.0 87.9 394 173 B A <> + 0 0 0 -3,-2.4 4,-2.5 -23,-0.2 5,-0.2 0.242 50.2 108.7-113.2 8.9 25.8 49.0 90.3 395 174 B G H > S+ 0 0 14 -4,-0.3 4,-2.5 1,-0.2 5,-0.2 0.909 79.1 46.4 -57.2 -50.0 23.0 49.9 87.8 396 175 B A H > S+ 0 0 52 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.928 115.1 47.7 -59.2 -45.9 20.3 47.6 89.2 397 176 B E H > S+ 0 0 63 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.872 110.8 51.2 -63.6 -37.6 21.1 48.8 92.8 398 177 B L H X S+ 0 0 0 -4,-2.5 4,-2.4 2,-0.2 -1,-0.2 0.885 109.5 49.7 -71.2 -38.3 21.1 52.5 91.8 399 178 B M H X S+ 0 0 1 -4,-2.5 4,-2.7 -5,-0.2 5,-0.2 0.916 111.2 49.5 -62.0 -41.2 17.7 52.1 90.0 400 179 B Q H X S+ 0 0 62 -4,-2.3 4,-2.7 -5,-0.2 -2,-0.2 0.936 110.8 51.4 -62.1 -42.9 16.4 50.5 93.2 401 180 B T H X S+ 0 0 4 -4,-2.5 4,-2.0 1,-0.2 -2,-0.2 0.911 111.9 45.3 -56.8 -48.2 17.8 53.3 95.2 402 181 B A H X S+ 0 0 0 -4,-2.4 4,-2.2 2,-0.2 -1,-0.2 0.901 113.3 49.3 -68.6 -40.5 16.2 56.0 93.0 403 182 B L H X S+ 0 0 12 -4,-2.7 4,-2.8 2,-0.2 -2,-0.2 0.915 110.2 51.0 -66.7 -40.1 12.8 54.2 92.9 404 183 B N H X S+ 0 0 45 -4,-2.7 4,-2.6 -102,-0.2 -1,-0.2 0.909 109.0 51.9 -61.4 -41.5 12.8 53.8 96.7 405 184 B W H X S+ 0 0 7 -4,-2.0 4,-0.8 -5,-0.2 -2,-0.2 0.917 112.4 45.4 -60.7 -44.6 13.6 57.5 97.1 406 185 B A H ><>S+ 0 0 0 -4,-2.2 5,-2.3 2,-0.2 3,-0.6 0.912 112.0 51.5 -64.8 -44.3 10.6 58.4 94.9 407 186 B Y H ><5S+ 0 0 109 -4,-2.8 3,-2.1 1,-0.2 -2,-0.2 0.927 105.7 55.2 -57.9 -47.5 8.3 55.9 96.7 408 187 B A H 3<5S+ 0 0 69 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.732 108.5 50.0 -58.7 -26.4 9.2 57.4 100.0 409 188 B R T <<5S- 0 0 79 -4,-0.8 -1,-0.3 -3,-0.6 -2,-0.2 0.157 119.8-107.8-101.9 16.2 8.2 60.8 98.7 410 189 B G T < 5 + 0 0 59 -3,-2.1 2,-0.2 1,-0.2 -3,-0.2 0.699 66.2 150.8 70.1 24.3 4.8 59.6 97.4 411 190 B K < - 0 0 17 -5,-2.3 -1,-0.2 -6,-0.1 -28,-0.2 -0.612 35.4-165.1 -86.8 148.1 5.7 59.8 93.7 412 191 B T S S+ 0 0 77 -30,-2.2 -114,-2.3 -2,-0.2 2,-0.4 0.578 74.6 46.7 -95.5 -19.2 4.1 57.5 91.0 413 192 B T E -Pt 297 383D 29 -31,-2.0 -29,-2.4 -116,-0.2 2,-0.5 -0.986 57.7-163.6-139.0 130.8 6.6 58.2 88.3 414 193 B L E -Pt 296 384D 0 -118,-2.5 -118,-2.7 -2,-0.4 2,-0.3 -0.982 18.1-159.5-116.6 123.2 10.4 58.4 88.1 415 194 B R E +Pt 295 385D 50 -31,-2.9 -29,-2.5 -2,-0.5 2,-0.3 -0.744 14.6 170.5-104.2 145.0 11.8 60.1 85.0 416 195 B V E -P 294 0D 2 -122,-2.3 -122,-3.1 -2,-0.3 2,-0.3 -0.939 13.2-160.0-153.7 134.1 15.2 59.8 83.5 417 196 B A E +P 293 0D 47 -31,-0.5 2,-0.3 -2,-0.3 -124,-0.2 -0.818 13.5 174.8-110.4 154.1 16.8 60.9 80.3 418 197 B T E -P 292 0D 11 -126,-2.5 -126,-2.9 -2,-0.3 2,-0.1 -0.977 37.3 -87.0-149.9 161.6 19.9 59.7 78.6 419 198 B Q E > -P 291 0D 57 -2,-0.3 3,-1.7 -128,-0.2 -128,-0.3 -0.462 36.3-122.4 -66.4 143.5 21.9 60.1 75.4 420 199 B M T 3 S+ 0 0 1 -130,-2.3 -371,-0.2 1,-0.3 -372,-0.1 0.816 112.2 55.2 -50.8 -37.2 20.8 58.0 72.4 421 200 B G T 3 S+ 0 0 15 -373,-0.4 2,-1.9 -131,-0.3 -1,-0.3 0.569 82.0 93.3 -76.5 -11.1 24.3 56.5 72.2 422 201 B N <> + 0 0 62 -3,-1.7 4,-2.5 1,-0.2 3,-0.2 -0.498 44.0 161.3 -88.2 70.9 24.3 55.4 75.8 423 202 B T H > S+ 0 0 43 -2,-1.9 4,-3.0 1,-0.2 5,-0.2 0.857 70.6 59.2 -60.1 -37.4 23.0 51.8 75.2 424 203 B A H > S+ 0 0 70 -3,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.926 110.3 43.1 -57.5 -44.3 24.3 50.6 78.6 425 204 B A H > S+ 0 0 13 -3,-0.2 4,-2.8 2,-0.2 5,-0.2 0.940 113.9 49.8 -66.7 -48.7 22.0 53.2 80.3 426 205 B L H X S+ 0 0 4 -4,-2.5 4,-2.6 1,-0.2 5,-0.2 0.928 111.1 49.7 -53.8 -49.6 19.0 52.6 78.1 427 206 B K H X S+ 0 0 70 -4,-3.0 4,-2.6 1,-0.2 -1,-0.2 0.911 112.2 48.0 -56.1 -46.8 19.3 48.8 78.6 428 207 B R H X S+ 0 0 79 -4,-2.1 4,-1.5 -5,-0.2 -2,-0.2 0.928 111.2 49.5 -63.2 -45.7 19.5 49.3 82.4 429 208 B Y H <>S+ 0 0 15 -4,-2.8 5,-2.5 1,-0.2 3,-0.3 0.932 113.9 45.8 -60.1 -44.3 16.5 51.7 82.5 430 209 B I H ><5S+ 0 0 19 -4,-2.6 3,-1.6 1,-0.2 -2,-0.2 0.915 108.9 55.2 -66.2 -40.9 14.4 49.3 80.5 431 210 B Q H 3<5S+ 0 0 112 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.794 107.4 52.6 -57.5 -31.1 15.5 46.3 82.6 432 211 B S T 3<5S- 0 0 37 -4,-1.5 -1,-0.3 -3,-0.3 -2,-0.2 0.400 133.2 -87.2 -89.6 0.6 14.2 48.3 85.6 433 212 B G T < 5S+ 0 0 43 -3,-1.6 -3,-0.2 1,-0.3 -2,-0.1 0.485 76.6 145.9 111.9 5.1 10.8 48.9 84.1 434 213 B A < - 0 0 2 -5,-2.5 2,-0.3 -6,-0.2 -1,-0.3 -0.369 25.0-169.1 -73.2 151.6 11.2 52.1 82.1 435 214 B N E - O 0 295D 33 -140,-2.2 -140,-2.4 -2,-0.1 2,-0.2 -0.936 33.9 -91.1-131.3 164.1 9.4 52.9 78.9 436 215 B V E + O 0 294D 5 -2,-0.3 -142,-0.3 -142,-0.2 3,-0.1 -0.485 37.7 172.0 -77.3 136.0 10.1 55.7 76.4 437 216 B E E - 0 0 82 -144,-3.3 2,-0.3 1,-0.4 -143,-0.2 0.742 65.4 -10.8-108.9 -42.0 8.2 59.0 76.9 438 217 B S E - O 0 293D 56 -145,-1.8 -145,-2.8 -238,-0.0 -1,-0.4 -0.987 52.4-150.2-154.9 159.7 9.9 61.3 74.3 439 218 B T E + O 0 292D 9 -2,-0.3 -168,-2.0 -147,-0.2 -167,-0.4 -0.986 21.5 174.7-134.9 149.0 12.8 61.6 72.0 440 219 B A E -NO 270 291D 10 -149,-2.4 -149,-2.8 -2,-0.3 2,-0.4 -0.969 25.0-135.3-148.7 156.7 14.7 64.7 70.9 441 220 B Y E -NO 269 290D 5 -172,-2.6 -172,-2.5 -2,-0.3 2,-0.5 -0.976 13.0-149.5-113.4 137.7 17.6 66.1 69.0 442 221 B W E -NO 268 289D 19 -153,-2.9 -154,-2.9 -2,-0.4 -153,-1.2 -0.926 21.1-175.1 -94.6 126.8 19.9 68.9 70.2 443 222 B L E -NO 267 287D 0 -176,-2.9 -176,-2.1 -2,-0.5 2,-0.3 -0.966 3.2-164.5-123.8 137.1 21.2 70.9 67.3 444 223 B Y E NO 266 286D 0 -158,-2.2 -158,-2.8 -2,-0.4 -178,-0.2 -0.892 360.0 360.0-120.9 157.2 23.7 73.8 67.6 445 224 B R 0 0 94 -180,-2.4 -179,-0.1 -2,-0.3 -1,-0.1 0.486 360.0 360.0-125.7 360.0 24.8 76.6 65.3