==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=4-OCT-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 30-MAY-13 4BQH . COMPND 2 MOLECULE: UDP-N-ACETYLGLUCOSAMINE PYROPHOSPHORYLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: TRYPANOSOMA BRUCEI; . AUTHOR W.FANG,O.G.RAIMI,D.M.F.VANAALTEN . 521 5 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 25423.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 352 67.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 33 6.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 56 10.7 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 3 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.4 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 . 31 6.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 59 11.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 155 29.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 1.5 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 1 1 1 1 0 2 3 1 0 2 1 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 1 0 1 3 1 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 . 6 5 0 1 1 1 1 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 . 5 0 1 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 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 P 0 0 184 0, 0.0 3,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -30.7 -26.7 20.9 0.1 2 -2 A L - 0 0 175 1,-0.3 0, 0.0 3,-0.0 0, 0.0 0.261 360.0-127.1 -88.8 12.3 -24.3 18.1 0.8 3 -1 A G - 0 0 63 2,-0.0 -1,-0.3 0, 0.0 2,-0.2 -0.170 50.7 -14.8 76.5-164.8 -25.2 18.1 4.5 4 0 A S - 0 0 130 -3,-0.1 2,-0.3 1,-0.0 0, 0.0 -0.452 56.5-153.8 -86.4 144.6 -23.1 18.4 7.6 5 1 A M - 0 0 87 -2,-0.2 -2,-0.0 1,-0.0 -1,-0.0 -0.866 23.1-107.5-112.9 147.1 -19.3 17.9 7.6 6 2 A S > - 0 0 62 -2,-0.3 4,-2.2 1,-0.1 5,-0.2 -0.329 32.6-111.6 -66.4 154.0 -17.1 16.8 10.5 7 3 A D H > S+ 0 0 93 1,-0.2 4,-2.4 2,-0.2 5,-0.1 0.897 120.0 52.2 -48.3 -45.6 -14.8 19.5 12.0 8 4 A R H > S+ 0 0 76 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.898 107.5 49.6 -64.3 -42.6 -11.8 17.6 10.6 9 5 A D H > S+ 0 0 79 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.869 109.9 52.0 -65.5 -35.7 -13.2 17.6 7.0 10 6 A V H X S+ 0 0 51 -4,-2.2 4,-2.9 2,-0.2 -2,-0.2 0.938 110.4 48.9 -62.9 -45.8 -13.9 21.3 7.3 11 7 A C H X S+ 0 0 0 -4,-2.4 4,-1.9 1,-0.2 -2,-0.2 0.918 109.4 52.1 -58.7 -44.5 -10.3 21.9 8.4 12 8 A I H X S+ 0 0 26 -4,-2.6 4,-1.0 2,-0.2 -1,-0.2 0.904 110.5 47.9 -58.4 -42.8 -9.1 19.7 5.5 13 9 A Q H >< S+ 0 0 131 -4,-2.2 3,-0.7 1,-0.2 -2,-0.2 0.933 110.0 52.9 -62.5 -45.9 -11.2 21.9 3.1 14 10 A R H 3< S+ 0 0 61 -4,-2.9 37,-0.3 1,-0.2 -1,-0.2 0.825 114.3 41.8 -59.8 -32.4 -9.8 25.1 4.6 15 11 A L H >< S+ 0 0 0 -4,-1.9 3,-1.5 -5,-0.2 5,-0.4 0.527 86.5 110.1 -95.1 -7.6 -6.2 23.8 4.1 16 12 A T T << S+ 0 0 85 -4,-1.0 -3,-0.0 -3,-0.7 5,-0.0 -0.549 94.3 3.0 -70.2 125.4 -6.6 22.4 0.6 17 13 A G T 3 S+ 0 0 42 -2,-0.3 -1,-0.3 1,-0.1 -2,-0.1 0.614 97.0 120.3 76.3 14.3 -4.8 24.5 -2.0 18 14 A A S < S- 0 0 1 -3,-1.5 -2,-0.1 2,-0.0 37,-0.1 0.340 81.0-118.3 -93.4 6.4 -3.4 26.8 0.8 19 15 A N S S+ 0 0 124 -4,-0.1 3,-0.1 1,-0.1 -3,-0.1 0.789 93.0 100.9 60.2 28.6 0.3 26.3 0.1 20 16 A Q >> + 0 0 2 -5,-0.4 3,-1.7 198,-0.1 4,-1.2 -0.342 38.2 154.4-133.0 50.1 0.6 24.8 3.7 21 17 A D H 3> + 0 0 98 1,-0.3 4,-2.8 2,-0.2 5,-0.1 0.709 62.0 68.2 -63.8 -23.1 0.6 21.1 2.7 22 18 A H H 3> S+ 0 0 60 1,-0.2 4,-1.7 2,-0.2 -1,-0.3 0.844 103.8 46.3 -63.1 -31.2 2.6 20.0 5.8 23 19 A I H <> S+ 0 0 0 -3,-1.7 4,-2.7 2,-0.2 -1,-0.2 0.892 109.9 52.2 -74.0 -42.1 -0.5 20.9 7.9 24 20 A L H X S+ 0 0 20 -4,-1.2 4,-1.9 1,-0.2 5,-0.2 0.936 109.3 52.1 -59.2 -43.6 -2.9 19.2 5.5 25 21 A T H X S+ 0 0 77 -4,-2.8 4,-3.2 2,-0.2 5,-0.3 0.906 108.1 49.7 -56.5 -49.6 -0.7 16.1 5.8 26 22 A A H X S+ 0 0 18 -4,-1.7 4,-1.8 1,-0.2 -2,-0.2 0.947 112.2 48.8 -57.1 -47.5 -0.9 16.2 9.6 27 23 A L H < S+ 0 0 0 -4,-2.7 -2,-0.2 1,-0.2 -1,-0.2 0.807 121.2 34.2 -61.4 -33.7 -4.7 16.5 9.4 28 24 A E H < S+ 0 0 66 -4,-1.9 -2,-0.2 -5,-0.2 -1,-0.2 0.819 135.0 18.8 -91.4 -35.9 -5.1 13.6 6.9 29 25 A H H < S+ 0 0 135 -4,-3.2 -3,-0.2 -5,-0.2 -2,-0.2 0.209 94.5 107.6-128.9 11.0 -2.3 11.2 8.0 30 26 A G S < S- 0 0 7 -4,-1.8 195,-0.0 -5,-0.3 -4,-0.0 -0.246 79.8 -73.7 -78.8 177.5 -1.3 12.1 11.5 31 27 A S > - 0 0 52 1,-0.1 4,-3.3 193,-0.0 5,-0.3 -0.293 47.3-104.6 -65.4 157.9 -2.2 10.1 14.7 32 28 A E H > S+ 0 0 154 1,-0.2 4,-2.3 2,-0.2 5,-0.1 0.905 123.2 44.6 -47.6 -50.4 -5.7 10.1 16.0 33 29 A A H > S+ 0 0 66 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.831 115.2 48.4 -68.7 -32.2 -4.8 12.4 18.9 34 30 A E H > S+ 0 0 38 2,-0.2 4,-2.5 -3,-0.2 5,-0.3 0.925 110.9 49.0 -72.7 -49.3 -2.8 14.7 16.5 35 31 A R H X S+ 0 0 75 -4,-3.3 4,-2.1 1,-0.2 -2,-0.2 0.907 114.7 47.9 -53.8 -45.2 -5.5 14.9 14.0 36 32 A A H X S+ 0 0 47 -4,-2.3 4,-2.5 -5,-0.3 -2,-0.2 0.897 112.6 44.3 -69.1 -42.6 -7.9 15.8 16.7 37 33 A S H X S+ 0 0 52 -4,-2.2 4,-2.5 2,-0.2 -1,-0.2 0.909 114.9 49.2 -72.4 -37.2 -5.9 18.5 18.5 38 34 A L H X S+ 0 0 0 -4,-2.5 4,-2.6 2,-0.2 5,-0.2 0.905 112.3 49.9 -63.8 -42.3 -4.9 20.1 15.3 39 35 A T H X S+ 0 0 10 -4,-2.1 4,-2.6 -5,-0.3 5,-0.2 0.929 110.5 49.0 -58.2 -47.8 -8.6 20.0 14.2 40 36 A A H X S+ 0 0 41 -4,-2.5 4,-3.1 1,-0.2 5,-0.5 0.919 113.4 47.9 -61.8 -42.1 -9.7 21.6 17.6 41 37 A Q H X>S+ 0 0 2 -4,-2.5 4,-2.6 184,-0.2 5,-1.3 0.958 114.2 43.0 -64.7 -51.6 -7.1 24.3 17.2 42 38 A I H <5S+ 0 0 0 -4,-2.6 4,-0.3 3,-0.2 7,-0.2 0.878 121.6 43.4 -65.2 -34.7 -7.9 25.3 13.6 43 39 A T H <5S+ 0 0 30 -4,-2.6 -2,-0.2 -5,-0.2 -1,-0.2 0.929 128.3 22.7 -70.9 -50.3 -11.6 25.1 14.4 44 40 A N H <5S+ 0 0 94 -4,-3.1 -3,-0.2 -5,-0.2 -2,-0.2 0.682 132.7 32.4 -98.6 -25.1 -11.9 26.9 17.8 45 41 A E T <5S+ 0 0 27 -4,-2.6 163,-2.9 -5,-0.5 133,-0.2 0.609 128.9 33.3-110.1 -22.3 -8.8 29.1 17.9 46 42 A L S > - 0 0 90 1,-0.2 4,-2.2 -3,-0.1 -1,-0.1 -0.845 11.7-165.9 -98.2 103.6 -8.1 32.3 5.5 51 47 A F H > S+ 0 0 4 -2,-0.8 4,-1.3 -37,-0.3 -1,-0.2 0.891 86.2 50.7 -65.1 -38.9 -4.8 30.5 5.2 52 48 A R H >> S+ 0 0 146 1,-0.2 4,-1.3 2,-0.2 3,-0.6 0.935 109.6 51.8 -61.0 -45.4 -4.2 31.5 1.5 53 49 A H H 3> S+ 0 0 24 1,-0.2 4,-1.9 2,-0.2 3,-0.4 0.903 105.0 56.9 -56.4 -42.3 -4.9 35.1 2.4 54 50 A F H 3X S+ 0 0 15 -4,-2.2 4,-2.8 1,-0.2 -1,-0.2 0.791 97.2 60.6 -67.6 -25.1 -2.4 34.9 5.2 55 51 A N H < S+ 0 0 127 -4,-1.7 3,-1.3 1,-0.2 -2,-0.2 0.905 109.1 51.9 -57.1 -46.0 8.3 43.7 2.4 64 60 A I H 3< S+ 0 0 89 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.827 99.0 62.8 -61.5 -37.7 7.0 46.7 4.4 65 61 A S T 3< 0 0 58 -4,-1.4 -1,-0.3 -5,-0.2 -2,-0.1 0.273 360.0 360.0 -76.7 15.0 9.3 46.0 7.4 66 62 A K < 0 0 153 -3,-1.3 -1,-0.1 0, 0.0 -4,-0.0 -0.912 360.0 360.0-121.5 360.0 12.2 46.7 5.0 67 ! 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 68 68 A S 0 0 149 0, 0.0 261,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -8.3 8.3 60.6 6.3 69 69 A L + 0 0 117 248,-0.1 249,-0.6 2,-0.0 247,-0.1 0.589 360.0 117.4 -79.7 -10.4 4.8 61.6 5.0 70 70 A A E -A 317 0A 16 247,-0.2 247,-0.2 245,-0.1 245,-0.0 -0.321 42.1-174.4 -70.1 133.2 3.5 61.7 8.6 71 71 A E E -A 316 0A 106 245,-2.2 245,-2.6 -2,-0.1 3,-0.1 -0.948 23.9-117.0-119.9 149.2 2.2 65.0 10.0 72 72 A P - 0 0 33 0, 0.0 243,-0.1 0, 0.0 272,-0.1 -0.385 44.9 -82.5 -75.0 160.9 1.0 65.7 13.5 73 73 A P - 0 0 11 0, 0.0 272,-0.1 0, 0.0 3,-0.1 -0.401 63.6 -95.0 -52.9 136.4 -2.6 66.8 14.3 74 74 A A > - 0 0 64 1,-0.1 3,-2.1 2,-0.1 4,-0.3 -0.313 49.0 -90.7 -60.1 141.3 -2.7 70.5 13.7 75 75 A K T 3 S+ 0 0 108 1,-0.3 -1,-0.1 2,-0.1 268,-0.0 -0.241 111.7 4.8 -48.3 136.9 -2.2 72.7 16.8 76 76 A D T 3 S+ 0 0 144 1,-0.1 -1,-0.3 -3,-0.1 -2,-0.1 0.636 99.1 116.5 59.2 19.8 -5.5 73.4 18.5 77 77 A S < + 0 0 75 -3,-2.1 2,-0.3 2,-0.1 -2,-0.1 0.587 61.9 56.8 -93.7 -10.3 -7.4 71.1 16.0 78 78 A F S S- 0 0 42 -4,-0.3 2,-0.5 338,-0.1 340,-0.1 -0.805 95.0 -89.9-123.7 160.5 -8.8 68.4 18.4 79 79 A F E -b 418 0A 3 338,-1.3 340,-2.9 -2,-0.3 2,-0.6 -0.587 46.4-167.6 -73.0 118.0 -11.0 68.4 21.5 80 80 A D E +b 419 0A 17 -2,-0.5 340,-0.2 338,-0.2 3,-0.1 -0.922 30.3 151.1-118.1 107.5 -8.5 68.7 24.4 81 81 A I + 0 0 17 338,-2.9 340,-0.5 -2,-0.6 6,-0.1 -0.088 30.8 130.2-118.2 36.2 -9.7 68.1 27.9 82 82 A S + 0 0 17 338,-0.3 2,-0.3 337,-0.2 340,-0.2 0.413 64.5 32.7 -85.2 2.0 -6.4 66.9 29.2 83 83 A S S > S- 0 0 39 -3,-0.1 4,-2.0 1,-0.1 5,-0.2 -0.983 81.9-106.9-148.5 164.0 -6.1 69.0 32.4 84 84 A V H > S+ 0 0 65 -2,-0.3 4,-2.1 1,-0.2 5,-0.1 0.914 120.4 50.2 -48.6 -47.3 -8.3 70.6 35.1 85 85 A D H > S+ 0 0 123 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.869 109.0 49.3 -65.6 -41.1 -7.7 74.1 33.5 86 86 A R H 4 S+ 0 0 86 1,-0.2 4,-0.4 2,-0.2 -1,-0.2 0.830 112.1 49.8 -68.9 -30.4 -8.7 73.0 30.0 87 87 A R H >< S+ 0 0 67 -4,-2.0 3,-0.6 2,-0.2 -2,-0.2 0.859 106.9 54.6 -75.0 -34.7 -11.8 71.4 31.4 88 88 A R H >< S+ 0 0 176 -4,-2.1 3,-1.4 1,-0.2 4,-0.2 0.934 106.4 51.1 -61.8 -46.3 -12.8 74.5 33.3 89 89 A G T 3< S+ 0 0 72 -4,-1.8 -1,-0.2 1,-0.3 -2,-0.2 0.645 119.2 38.0 -65.0 -15.9 -12.6 76.7 30.2 90 90 A Q T <> S+ 0 0 54 -3,-0.6 4,-2.5 -4,-0.4 -1,-0.3 0.014 76.7 127.7-124.0 24.1 -14.9 74.3 28.3 91 91 A A H <> S+ 0 0 56 -3,-1.4 4,-2.4 1,-0.2 5,-0.2 0.859 73.2 47.3 -58.3 -43.8 -17.2 73.3 31.1 92 92 A K H > S+ 0 0 156 -4,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.921 112.2 49.7 -64.7 -44.5 -20.5 74.1 29.3 93 93 A R H > S+ 0 0 101 2,-0.2 4,-2.4 1,-0.2 -2,-0.2 0.911 111.7 49.2 -61.4 -44.1 -19.4 72.2 26.1 94 94 A I H X S+ 0 0 29 -4,-2.5 4,-2.4 -7,-0.2 -1,-0.2 0.925 112.3 47.6 -60.2 -46.9 -18.4 69.2 28.2 95 95 A K H X S+ 0 0 143 -4,-2.4 4,-1.9 -5,-0.2 -2,-0.2 0.890 112.7 49.4 -62.3 -39.3 -21.7 69.2 30.1 96 96 A N H X S+ 0 0 76 -4,-2.6 4,-1.6 2,-0.2 -2,-0.2 0.899 111.7 47.3 -69.3 -38.6 -23.7 69.5 26.9 97 97 A L H X S+ 0 0 12 -4,-2.4 4,-2.4 2,-0.2 -2,-0.2 0.882 108.9 56.2 -66.0 -40.3 -21.8 66.6 25.2 98 98 A E H X S+ 0 0 72 -4,-2.4 4,-2.4 1,-0.2 -2,-0.2 0.908 104.8 51.3 -58.2 -44.6 -22.3 64.5 28.3 99 99 A A H X S+ 0 0 51 -4,-1.9 4,-1.9 2,-0.2 -1,-0.2 0.904 109.3 50.9 -60.3 -41.3 -26.1 65.0 28.1 100 100 A V H X S+ 0 0 19 -4,-1.6 4,-1.7 1,-0.2 -1,-0.2 0.914 109.9 50.5 -60.8 -45.4 -26.0 63.9 24.4 101 101 A G H X S+ 0 0 0 -4,-2.4 4,-2.0 183,-0.4 -2,-0.2 0.903 108.3 51.9 -60.7 -43.3 -24.0 60.8 25.4 102 102 A Y H X S+ 0 0 8 -4,-2.4 4,-2.5 1,-0.2 -1,-0.2 0.863 105.4 54.8 -63.7 -35.2 -26.5 59.9 28.1 103 103 A K H X S+ 0 0 108 -4,-1.9 4,-2.2 1,-0.2 -1,-0.2 0.919 109.0 49.1 -62.8 -41.0 -29.5 60.1 25.7 104 104 A A H <>S+ 0 0 1 -4,-1.7 5,-2.1 2,-0.2 6,-0.4 0.871 109.7 50.7 -67.3 -38.3 -27.7 57.6 23.5 105 105 A I H ><5S+ 0 0 0 -4,-2.0 3,-1.6 1,-0.2 64,-0.7 0.946 111.1 49.2 -60.2 -46.5 -27.1 55.3 26.4 106 106 A Q H 3<5S+ 0 0 22 -4,-2.5 63,-0.2 1,-0.3 -2,-0.2 0.887 105.7 57.4 -58.2 -41.1 -30.8 55.5 27.4 107 107 A K T 3<5S- 0 0 122 -4,-2.2 -1,-0.3 -5,-0.2 -2,-0.2 0.467 114.1-117.7 -71.4 -4.5 -31.8 54.7 23.8 108 108 A G T < 5S+ 0 0 18 -3,-1.6 -3,-0.2 -4,-0.2 -2,-0.1 0.734 76.8 128.7 74.5 22.8 -29.8 51.4 23.9 109 109 A Q < + 0 0 45 -5,-2.1 158,-2.9 157,-0.2 159,-2.0 0.486 46.3 86.1 -89.3 -2.8 -27.5 52.6 21.1 110 110 A I E -c 268 0A 0 -6,-0.4 61,-1.9 59,-0.3 2,-0.4 -0.844 47.0-179.0-112.0 132.7 -24.2 51.9 22.9 111 111 A A E -cd 269 171A 0 157,-2.2 159,-2.9 -2,-0.4 2,-0.5 -0.936 14.6-151.2-116.4 148.8 -22.1 48.7 23.1 112 112 A F E -cd 270 172A 2 59,-2.7 61,-2.9 -2,-0.4 2,-0.6 -0.989 8.6-157.5-118.4 123.5 -18.8 48.4 25.0 113 113 A L E -cd 271 173A 0 157,-3.4 159,-2.3 -2,-0.5 2,-0.6 -0.883 5.7-157.8-104.2 113.0 -16.4 45.8 23.6 114 114 A I E -cd 272 174A 0 59,-3.2 61,-2.8 -2,-0.6 2,-0.8 -0.828 15.4-135.2 -92.0 123.8 -13.9 44.5 26.3 115 115 A L E +cd 273 175A 12 157,-2.8 159,-1.9 -2,-0.6 160,-0.3 -0.703 39.6 161.6 -78.0 111.2 -10.6 43.1 24.8 116 116 A A + 0 0 2 59,-2.1 61,-0.4 -2,-0.8 -1,-0.1 -0.074 33.7 103.3-130.0 30.4 -10.4 40.0 27.0 117 117 A G + 0 0 23 59,-0.3 2,-0.2 11,-0.1 -1,-0.1 0.610 61.0 92.0 -91.5 -14.4 -8.1 37.5 25.2 118 118 A G - 0 0 46 -3,-0.1 11,-2.5 1,-0.1 12,-0.4 -0.525 64.2-136.9 -89.8 150.8 -5.0 38.1 27.4 119 119 A S E -K 128 0B 60 9,-0.3 3,-0.3 -2,-0.2 7,-0.1 -0.437 18.5-123.4 -92.7 170.3 -3.9 36.2 30.5 120 120 A G E > >S+K 125 0B 0 7,-2.6 5,-2.4 5,-0.8 3,-1.2 0.085 71.2 122.9 -96.0 21.7 -2.6 37.6 33.8 121 121 A T G > 5S+ 0 0 75 1,-0.3 3,-1.6 3,-0.2 -1,-0.2 0.846 71.0 53.0 -56.1 -39.9 0.6 35.4 33.5 122 122 A R G 3 5S+ 0 0 175 -3,-0.3 310,-0.9 1,-0.3 -1,-0.3 0.778 107.2 53.7 -63.5 -28.7 3.0 38.5 33.7 123 123 A L G < 5S- 0 0 19 -3,-1.2 -1,-0.3 2,-0.2 310,-0.2 0.358 126.9-104.5 -82.9 3.0 1.1 39.5 36.9 124 124 A G T < 5S+ 0 0 64 -3,-1.6 2,-0.5 -4,-0.2 -3,-0.2 0.717 89.5 117.7 77.1 24.8 1.9 36.0 38.3 125 125 A F E < -K 120 0B 65 -5,-2.4 2,-1.7 2,-0.1 -5,-0.8 -0.902 51.7-160.4-132.6 101.0 -1.8 34.9 37.7 126 126 A D E + 0 0 133 -2,-0.5 3,-0.0 -5,-0.1 -5,-0.0 -0.237 66.3 84.3 -81.6 48.5 -2.5 32.1 35.2 127 127 A K E S- 0 0 99 -2,-1.7 -7,-2.6 1,-0.1 -6,-0.1 -0.823 97.7 -65.0-133.6 171.0 -6.1 33.0 34.6 128 128 A P E > -K 119 0B 2 0, 0.0 3,-1.9 0, 0.0 4,-0.4 -0.327 49.3-118.3 -60.2 146.3 -7.7 35.6 32.2 129 129 A K G > S+ 0 0 25 -11,-2.5 3,-1.9 1,-0.3 14,-0.3 0.817 110.2 67.1 -58.2 -32.0 -6.7 39.1 33.1 130 130 A G G 3 S+ 0 0 1 -12,-0.4 14,-2.8 1,-0.3 15,-0.4 0.713 93.9 60.4 -61.2 -20.2 -10.3 40.1 33.8 131 131 A F G < S+ 0 0 20 -3,-1.9 -1,-0.3 12,-0.2 -2,-0.2 0.671 81.2 118.3 -75.9 -18.7 -10.3 37.8 36.8 132 132 A F < - 0 0 24 -3,-1.9 11,-1.6 -4,-0.4 2,-0.5 -0.234 50.6-157.1 -62.0 135.2 -7.4 39.8 38.4 133 133 A T B -L 142 0C 53 9,-0.2 2,-0.3 10,-0.1 9,-0.2 -0.957 15.4-133.0-113.8 118.0 -8.1 41.4 41.7 134 134 A C > - 0 0 1 7,-0.6 3,-0.7 -2,-0.5 7,-0.2 -0.543 14.2-136.0 -71.0 130.0 -5.8 44.4 42.6 135 135 A D T 3 S+ 0 0 97 -2,-0.3 309,-0.1 1,-0.2 3,-0.1 -0.468 86.5 52.3 -71.0 156.6 -4.3 44.4 46.1 136 136 A G T 3 S+ 0 0 56 1,-0.3 2,-0.4 -2,-0.1 -1,-0.2 0.454 86.3 104.7 93.5 -1.9 -4.5 47.7 47.9 137 137 A L < - 0 0 5 -3,-0.7 -1,-0.3 2,-0.2 307,-0.0 -0.955 62.9-148.9-112.7 136.6 -8.2 48.2 47.3 138 138 A Q S S+ 0 0 107 -2,-0.4 2,-0.3 -3,-0.1 -1,-0.1 0.763 88.2 77.9 -68.4 -27.7 -10.8 47.7 50.1 139 139 A Q S S- 0 0 8 1,-0.1 2,-0.6 2,-0.1 -2,-0.2 -0.638 77.1-151.8 -72.6 140.8 -13.2 46.6 47.3 140 140 A R + 0 0 157 -2,-0.3 2,-0.4 -7,-0.0 -1,-0.1 -0.593 43.6 142.9-114.8 71.3 -12.2 43.0 46.5 141 141 A K - 0 0 14 -2,-0.6 -7,-0.6 -7,-0.2 -2,-0.1 -0.899 48.5-124.4-118.6 139.3 -13.4 43.1 43.0 142 142 A S B > -L 133 0C 8 -2,-0.4 4,-2.1 -9,-0.2 -9,-0.2 -0.229 34.0-107.8 -64.5 161.5 -12.0 41.6 39.8 143 143 A L H > S+ 0 0 3 -11,-1.6 4,-2.1 -14,-0.3 -12,-0.2 0.929 123.0 53.2 -58.1 -42.8 -11.3 43.9 36.8 144 144 A F H > S+ 0 0 0 -14,-2.8 4,-2.3 1,-0.2 5,-0.2 0.937 107.3 51.7 -55.7 -46.8 -14.4 42.3 35.1 145 145 A M H > S+ 0 0 50 -15,-0.4 4,-2.1 1,-0.2 -1,-0.2 0.913 109.0 48.5 -60.7 -44.2 -16.5 43.2 38.1 146 146 A M H X S+ 0 0 10 -4,-2.1 4,-2.0 1,-0.2 -1,-0.2 0.880 109.9 53.1 -66.5 -37.6 -15.5 46.9 38.1 147 147 A H H X S+ 0 0 4 -4,-2.1 4,-1.8 1,-0.2 -1,-0.2 0.933 110.8 46.8 -57.6 -46.5 -16.1 47.2 34.4 148 148 A C H X S+ 0 0 0 -4,-2.3 4,-2.5 1,-0.2 -2,-0.2 0.854 109.9 52.6 -67.9 -35.6 -19.6 45.8 34.8 149 149 A E H X S+ 0 0 4 -4,-2.1 4,-2.4 2,-0.2 -1,-0.2 0.867 105.7 54.7 -68.9 -33.9 -20.3 48.1 37.8 150 150 A K H X S+ 0 0 26 -4,-2.0 4,-2.5 2,-0.2 5,-0.2 0.929 109.0 48.7 -62.8 -40.3 -19.3 51.1 35.7 151 151 A I H X S+ 0 0 1 -4,-1.8 4,-2.6 1,-0.2 5,-0.2 0.949 110.5 50.7 -63.5 -48.1 -21.8 50.1 33.1 152 152 A R H X S+ 0 0 59 -4,-2.5 4,-2.3 1,-0.2 -1,-0.2 0.897 112.1 47.2 -56.0 -43.5 -24.5 49.7 35.7 153 153 A R H X S+ 0 0 29 -4,-2.4 4,-2.4 2,-0.2 -1,-0.2 0.933 111.6 48.7 -65.0 -46.0 -23.8 53.1 37.1 154 154 A R H X S+ 0 0 10 -4,-2.5 4,-2.4 2,-0.2 -2,-0.2 0.888 112.2 50.8 -59.8 -40.0 -23.7 54.9 33.7 155 155 A Q H X S+ 0 0 8 -4,-2.6 4,-2.1 -5,-0.2 -2,-0.2 0.926 109.6 50.7 -63.2 -44.5 -27.1 53.1 32.9 156 156 A E H X S+ 0 0 78 -4,-2.3 4,-2.0 -5,-0.2 -2,-0.2 0.896 110.9 47.6 -61.4 -43.0 -28.5 54.3 36.2 157 157 A I H X S+ 0 0 17 -4,-2.4 4,-2.0 2,-0.2 5,-0.2 0.930 109.1 53.7 -65.6 -43.8 -27.5 58.0 35.5 158 158 A A H X S+ 0 0 2 -4,-2.4 4,-2.3 1,-0.2 -2,-0.2 0.912 110.9 47.6 -54.3 -42.8 -28.9 57.8 32.0 159 159 A E H X S+ 0 0 37 -4,-2.1 4,-2.2 1,-0.2 5,-0.3 0.864 108.2 54.1 -67.3 -39.6 -32.3 56.7 33.5 160 160 A S H < S+ 0 0 94 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.847 112.5 44.5 -63.4 -35.0 -32.2 59.4 36.2 161 161 A I H < S+ 0 0 97 -4,-2.0 -2,-0.2 1,-0.1 -1,-0.2 0.894 116.9 43.3 -76.3 -42.6 -31.8 62.1 33.4 162 162 A S H < S- 0 0 55 -4,-2.3 -2,-0.2 -5,-0.2 -3,-0.2 0.836 83.1-148.9 -74.5 -36.2 -34.4 60.7 31.0 163 163 A G < + 0 0 68 -4,-2.2 -3,-0.1 1,-0.2 -4,-0.1 0.638 45.0 156.2 69.8 14.9 -37.2 59.9 33.4 164 164 A S - 0 0 54 -5,-0.3 -1,-0.2 2,-0.1 4,-0.1 -0.331 53.6-136.5 -73.7 151.4 -38.1 57.2 31.0 165 165 A G S S+ 0 0 81 -3,-0.1 2,-0.3 2,-0.1 -1,-0.1 0.568 82.1 92.3 -78.0 -7.8 -40.0 54.0 31.9 166 166 A R S S- 0 0 161 1,-0.1 2,-0.2 -7,-0.1 -2,-0.1 -0.614 82.3-114.3 -95.2 144.6 -37.4 52.1 29.8 167 167 A K - 0 0 92 -2,-0.3 2,-0.5 -60,-0.0 -2,-0.1 -0.541 24.8-128.3 -75.7 139.4 -34.2 50.5 31.1 168 168 A A - 0 0 0 -2,-0.2 2,-0.4 -13,-0.2 -62,-0.2 -0.803 33.0-171.8 -85.8 127.3 -31.0 52.0 29.8 169 169 A R - 0 0 53 -64,-0.7 2,-0.6 -2,-0.5 -59,-0.3 -0.957 19.9-166.3-133.2 117.9 -28.9 49.1 28.5 170 170 A V - 0 0 0 -2,-0.4 2,-0.4 -61,-0.1 -59,-0.2 -0.880 29.2-128.9 -92.8 123.4 -25.3 49.1 27.2 171 171 A Q E -d 111 0A 23 -61,-1.9 -59,-2.7 -2,-0.6 2,-0.6 -0.628 20.0-146.4 -73.6 128.9 -24.6 45.8 25.4 172 172 A L E -de 112 201A 0 28,-3.3 30,-3.1 -2,-0.4 2,-0.6 -0.882 12.0-167.3-101.3 123.2 -21.4 44.2 26.8 173 173 A L E -de 113 202A 0 -61,-2.9 -59,-3.2 -2,-0.6 2,-0.7 -0.955 3.4-162.7-112.8 115.6 -19.3 42.4 24.2 174 174 A V E -de 114 203A 0 28,-3.0 30,-2.4 -2,-0.6 2,-1.1 -0.892 6.0-154.7-105.5 109.0 -16.6 40.3 25.9 175 175 A M E +de 115 204A 2 -61,-2.8 -59,-2.1 -2,-0.7 30,-0.2 -0.707 24.3 176.3 -91.3 100.1 -13.9 39.3 23.3 176 176 A T E - 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