==== 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-MAR-07 2YQC . COMPND 2 MOLECULE: UDP-N-ACETYLGLUCOSAMINE PYROPHOSPHORYLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: CANDIDA ALBICANS; . AUTHOR K.MIKI,D.MARUYAMA,Y.NISHITANI,T.NONAKA,A.KITA . 480 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 22186.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 335 69.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 37 7.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 56 11.7 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 . 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 . 29 6.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 65 13.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 124 25.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 10 2.1 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 0 1 1 0 3 1 1 0 1 0 1 0 1 0 1 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 1 1 0 1 3 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 4 1 0 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 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 V 0 0 195 0, 0.0 2,-0.3 0, 0.0 38,-0.0 0.000 360.0 360.0 360.0 132.0 -13.0 -21.9 40.4 2 4 A K - 0 0 97 1,-0.1 37,-0.1 37,-0.1 2,-0.0 -0.712 360.0-116.3-100.7 151.7 -11.9 -25.5 40.6 3 5 A S > - 0 0 58 -2,-0.3 4,-2.1 1,-0.1 5,-0.2 -0.219 35.6 -96.8 -76.1 170.4 -11.2 -27.5 43.8 4 6 A Q H > S+ 0 0 95 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.918 124.8 46.4 -53.2 -48.9 -7.8 -28.9 44.8 5 7 A Q H > S+ 0 0 102 1,-0.2 4,-2.8 2,-0.2 -1,-0.2 0.891 110.0 51.8 -66.7 -38.8 -8.6 -32.3 43.4 6 8 A Q H > S+ 0 0 104 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.868 111.7 48.4 -66.3 -33.9 -10.0 -30.9 40.1 7 9 A I H X S+ 0 0 5 -4,-2.1 4,-1.7 2,-0.2 5,-0.2 0.960 112.9 46.7 -68.2 -52.0 -6.8 -28.9 39.6 8 10 A I H X S+ 0 0 9 -4,-2.4 4,-2.4 1,-0.2 3,-0.3 0.932 112.4 50.7 -54.9 -49.6 -4.5 -31.8 40.4 9 11 A D H X S+ 0 0 65 -4,-2.8 4,-2.5 1,-0.2 -1,-0.2 0.862 106.5 54.8 -60.3 -36.4 -6.5 -34.1 38.1 10 12 A S H X S+ 0 0 23 -4,-1.7 4,-0.8 -5,-0.2 -1,-0.2 0.880 111.6 43.4 -68.2 -35.2 -6.3 -31.7 35.1 11 13 A F H <>S+ 0 0 2 -4,-1.7 5,-2.4 -3,-0.3 -2,-0.2 0.873 113.5 50.7 -77.5 -35.7 -2.5 -31.4 35.3 12 14 A K H ><5S+ 0 0 92 -4,-2.4 3,-1.9 1,-0.2 5,-0.3 0.917 108.6 52.0 -64.2 -43.5 -2.1 -35.2 35.7 13 15 A Q H 3<5S+ 0 0 162 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.798 104.9 57.5 -61.9 -26.4 -4.3 -35.8 32.7 14 16 A A T 3<5S- 0 0 16 -4,-0.8 -1,-0.3 -5,-0.2 -2,-0.2 0.141 124.7-106.5 -89.5 20.6 -2.1 -33.4 30.8 15 17 A N T < 5S+ 0 0 89 -3,-1.9 3,-0.3 1,-0.1 -3,-0.2 0.768 83.6 127.5 62.7 30.3 0.9 -35.6 31.7 16 18 A Q > < + 0 0 0 -5,-2.4 3,-2.1 1,-0.2 4,-0.3 -0.157 16.3 135.7-108.6 40.3 2.4 -33.2 34.3 17 19 A D G > + 0 0 75 -5,-0.3 3,-1.8 1,-0.3 -1,-0.2 0.775 60.4 72.1 -59.4 -24.6 2.7 -35.8 37.1 18 20 A Q G > S+ 0 0 46 -3,-0.3 3,-1.2 1,-0.3 -1,-0.3 0.722 82.9 71.0 -65.5 -17.9 6.2 -34.5 37.9 19 21 A L G < S+ 0 0 1 -3,-2.1 -1,-0.3 1,-0.2 3,-0.2 0.707 101.7 43.8 -71.4 -17.4 4.6 -31.4 39.4 20 22 A F G X S+ 0 0 22 -3,-1.8 3,-0.6 -4,-0.3 4,-0.5 0.197 76.3 112.9-111.3 16.6 3.2 -33.4 42.3 21 23 A Q T < S+ 0 0 119 -3,-1.2 -1,-0.1 1,-0.3 3,-0.1 0.869 94.4 23.2 -56.9 -38.5 6.4 -35.4 43.0 22 24 A Y T >> S+ 0 0 31 190,-0.3 3,-1.4 -4,-0.3 4,-0.5 0.357 92.2 110.0-110.1 7.9 6.9 -33.7 46.4 23 25 A Y G X4 S+ 0 0 14 -3,-0.6 3,-1.4 1,-0.3 -2,-0.1 0.868 75.7 51.8 -50.7 -48.9 3.3 -32.6 46.9 24 26 A D G 34 S+ 0 0 150 -4,-0.5 -1,-0.3 1,-0.3 -2,-0.1 0.704 104.8 57.7 -65.0 -20.2 2.5 -35.0 49.8 25 27 A S G <4 S+ 0 0 88 -3,-1.4 -1,-0.3 -4,-0.1 -2,-0.2 0.549 91.1 92.8 -86.3 -7.7 5.6 -33.8 51.7 26 28 A L S << S- 0 0 17 -3,-1.4 2,-0.1 -4,-0.5 -3,-0.0 -0.378 83.7-104.7 -82.7 162.0 4.5 -30.2 51.8 27 29 A T > - 0 0 79 1,-0.1 4,-2.2 -2,-0.1 5,-0.2 -0.424 37.4-106.4 -77.0 163.2 2.5 -28.5 54.6 28 30 A I H > S+ 0 0 116 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.907 122.4 52.4 -58.9 -40.7 -1.2 -27.9 53.8 29 31 A D H > S+ 0 0 116 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.920 108.5 50.3 -64.1 -39.1 -0.5 -24.1 53.4 30 32 A Q H > S+ 0 0 77 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.898 111.6 49.6 -62.4 -39.7 2.3 -24.9 50.9 31 33 A Q H X S+ 0 0 31 -4,-2.2 4,-2.5 2,-0.2 5,-0.2 0.933 110.0 49.7 -63.5 -48.3 -0.1 -27.2 49.0 32 34 A Q H X S+ 0 0 104 -4,-2.8 4,-2.3 1,-0.2 -2,-0.2 0.895 109.5 50.7 -60.7 -41.0 -2.9 -24.5 48.9 33 35 A E H X S+ 0 0 72 -4,-2.3 4,-2.1 -5,-0.2 -1,-0.2 0.904 111.2 50.4 -63.4 -38.3 -0.5 -21.9 47.6 34 36 A F H X S+ 0 0 1 -4,-1.8 4,-2.7 2,-0.2 -2,-0.2 0.921 109.3 48.8 -65.7 -46.5 0.6 -24.3 44.8 35 37 A I H X S+ 0 0 11 -4,-2.5 4,-2.1 1,-0.2 -1,-0.2 0.908 109.9 53.8 -60.1 -41.8 -2.9 -25.1 43.8 36 38 A D H X S+ 0 0 106 -4,-2.3 4,-0.6 -5,-0.2 -2,-0.2 0.927 109.9 47.1 -59.2 -44.5 -3.7 -21.4 43.7 37 39 A Q H >< S+ 0 0 35 -4,-2.1 3,-1.4 1,-0.2 4,-0.2 0.936 112.0 49.4 -63.0 -45.6 -0.7 -20.9 41.3 38 40 A L H >< S+ 0 0 1 -4,-2.7 3,-1.5 1,-0.3 -1,-0.2 0.820 101.3 65.1 -63.6 -29.3 -1.7 -23.8 39.1 39 41 A S H 3< S+ 0 0 53 -4,-2.1 -1,-0.3 1,-0.3 -2,-0.2 0.711 91.7 65.0 -65.9 -19.3 -5.2 -22.4 38.9 40 42 A T T << S+ 0 0 92 -3,-1.4 2,-0.7 -4,-0.6 -1,-0.3 0.553 77.0 98.4 -82.4 -6.9 -3.9 -19.3 37.1 41 43 A I S < S- 0 0 20 -3,-1.5 2,-0.3 -4,-0.2 156,-0.1 -0.745 73.6-136.4 -87.0 114.4 -2.8 -21.3 34.0 42 44 A E S S- 0 0 89 -2,-0.7 5,-0.2 1,-0.2 -2,-0.1 -0.531 74.4 -19.8 -72.7 130.9 -5.5 -21.0 31.3 43 45 A E S > S- 0 0 151 -2,-0.3 4,-2.0 1,-0.1 -1,-0.2 0.873 72.3-171.3 33.7 71.9 -6.3 -24.3 29.6 44 46 A P H > S+ 0 0 16 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.865 78.4 56.2 -57.6 -42.1 -3.0 -26.2 30.5 45 47 A A H > S+ 0 0 63 1,-0.2 4,-1.7 2,-0.2 5,-0.2 0.935 110.4 46.0 -58.4 -44.2 -3.6 -29.2 28.3 46 48 A K H > S+ 0 0 68 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.906 111.3 53.4 -63.6 -42.6 -3.9 -26.9 25.2 47 49 A L H X S+ 0 0 15 -4,-2.0 4,-2.2 -5,-0.2 -2,-0.2 0.910 107.0 50.3 -60.0 -46.1 -0.8 -24.9 26.3 48 50 A I H X S+ 0 0 8 -4,-2.5 4,-2.3 1,-0.2 5,-0.2 0.909 109.5 49.3 -62.6 -43.6 1.4 -28.0 26.6 49 51 A S H X S+ 0 0 33 -4,-1.7 4,-2.1 1,-0.2 5,-0.2 0.924 111.2 51.0 -61.4 -45.4 0.5 -29.4 23.2 50 52 A T H X S+ 0 0 35 -4,-2.0 4,-2.7 2,-0.2 -1,-0.2 0.911 111.1 47.9 -57.7 -47.4 1.2 -26.0 21.5 51 53 A V H X S+ 0 0 0 -4,-2.2 4,-2.5 2,-0.2 5,-0.2 0.962 110.5 47.8 -61.7 -56.5 4.6 -25.6 23.1 52 54 A E H X S+ 0 0 74 -4,-2.3 4,-1.4 152,-0.5 -1,-0.2 0.912 116.4 46.0 -54.5 -41.9 6.0 -29.1 22.4 53 55 A Q H X S+ 0 0 123 -4,-2.1 4,-2.1 -5,-0.2 3,-0.3 0.933 109.7 54.1 -64.8 -45.6 4.9 -28.7 18.8 54 56 A A H X S+ 0 0 22 -4,-2.7 4,-1.8 1,-0.2 -2,-0.2 0.878 106.9 52.2 -56.8 -38.7 6.3 -25.2 18.6 55 57 A I H < S+ 0 0 25 -4,-2.5 4,-0.3 2,-0.2 -1,-0.2 0.848 106.7 52.6 -68.2 -33.8 9.7 -26.5 19.7 56 58 A Q H >< S+ 0 0 151 -4,-1.4 3,-1.3 -3,-0.3 -2,-0.2 0.934 109.9 48.3 -65.8 -45.4 9.7 -29.2 17.0 57 59 A F H 3< S+ 0 0 86 -4,-2.1 -2,-0.2 1,-0.3 -1,-0.2 0.865 100.3 65.6 -62.4 -38.5 9.0 -26.6 14.3 58 60 A S T 3< 0 0 76 -4,-1.8 -1,-0.3 1,-0.3 -2,-0.2 0.618 360.0 360.0 -62.2 -12.4 11.8 -24.2 15.6 59 61 A Q < 0 0 136 -3,-1.3 -1,-0.3 -4,-0.3 -2,-0.2 0.178 360.0 360.0-120.6 360.0 14.4 -26.9 14.6 60 ! 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 61 66 A S 0 0 160 0, 0.0 2,-0.3 0, 0.0 246,-0.0 0.000 360.0 360.0 360.0 78.1 12.0 -20.6 1.6 62 67 A R - 0 0 119 245,-0.2 2,-0.6 233,-0.0 232,-0.0 -0.765 360.0-136.1-111.6 155.0 10.1 -17.3 1.8 63 68 A N + 0 0 77 -2,-0.3 232,-2.7 2,-0.0 233,-0.7 -0.938 31.3 171.1-112.5 111.9 9.5 -14.5 -0.7 64 69 A F E +A 294 0A 15 -2,-0.6 2,-0.3 230,-0.2 230,-0.2 -0.928 2.1 160.8-121.9 145.8 10.0 -11.0 0.7 65 70 A T E -A 293 0A 28 228,-1.9 228,-2.9 -2,-0.4 2,-0.1 -0.857 45.9 -65.7-148.8 179.5 10.0 -7.6 -1.0 66 71 A Q - 0 0 58 -2,-0.3 226,-0.1 226,-0.2 3,-0.1 -0.440 58.7-100.4 -72.7 147.1 9.6 -3.9 -0.3 67 72 A L - 0 0 18 224,-0.3 -1,-0.1 1,-0.1 5,-0.1 -0.291 52.7 -87.4 -62.5 154.3 6.2 -2.7 0.9 68 73 A P > - 0 0 46 0, 0.0 3,-2.2 0, 0.0 4,-0.4 -0.384 36.1-118.0 -64.8 143.5 4.2 -1.1 -1.9 69 74 A N G > S+ 0 0 136 1,-0.3 3,-1.2 2,-0.2 -2,-0.1 0.796 110.3 65.8 -52.7 -34.0 5.0 2.6 -2.3 70 75 A E G 3 S+ 0 0 98 1,-0.2 -1,-0.3 332,-0.0 -3,-0.0 0.749 101.6 50.1 -64.0 -19.5 1.4 3.6 -1.5 71 76 A Q G < S+ 0 0 18 -3,-2.2 332,-2.3 331,-0.1 2,-0.3 0.530 104.3 71.2 -96.7 -2.8 1.8 2.3 2.0 72 77 A T E < +b 403 0A 49 -3,-1.2 2,-0.3 -4,-0.4 332,-0.2 -0.736 46.3 164.9-116.4 160.4 5.1 4.1 2.8 73 78 A A E -b 404 0A 20 330,-1.6 332,-3.0 -2,-0.3 2,-0.3 -0.950 19.4-143.9-159.7 163.7 6.3 7.7 3.5 74 79 A S E >> -b 405 0A 7 -2,-0.3 4,-2.4 330,-0.2 3,-1.4 -0.981 15.7-149.8-143.1 131.1 9.4 9.3 4.9 75 80 A T T 34 S+ 0 0 29 330,-2.6 331,-0.1 -2,-0.3 -1,-0.1 0.608 103.6 62.9 -70.9 -10.9 9.9 12.4 7.1 76 81 A L T 34 S+ 0 0 91 329,-0.3 -1,-0.3 1,-0.1 330,-0.1 0.660 114.6 30.9 -84.5 -16.2 13.2 12.7 5.3 77 82 A D T <4 S+ 0 0 132 -3,-1.4 -2,-0.2 2,-0.1 -1,-0.1 0.738 93.7 99.4-110.4 -31.4 11.4 13.2 2.0 78 83 A L S < S- 0 0 42 -4,-2.4 -5,-0.0 1,-0.1 2,-0.0 -0.240 76.0-106.6 -63.6 145.8 8.1 14.9 2.7 79 84 A S > - 0 0 57 1,-0.1 4,-2.4 4,-0.0 3,-0.3 -0.322 26.4-114.4 -69.3 153.5 7.7 18.7 2.2 80 85 A K H > S+ 0 0 78 1,-0.2 4,-2.2 2,-0.2 5,-0.1 0.851 115.8 55.5 -56.3 -35.2 7.5 21.0 5.2 81 86 A D H > S+ 0 0 125 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.879 108.4 45.1 -68.4 -40.2 3.9 21.8 4.3 82 87 A I H > S+ 0 0 74 -3,-0.3 4,-2.3 2,-0.2 5,-0.2 0.903 112.6 51.7 -69.9 -40.2 2.7 18.2 4.2 83 88 A L H X S+ 0 0 33 -4,-2.4 4,-2.4 1,-0.2 -2,-0.2 0.915 110.8 49.5 -61.7 -38.0 4.5 17.5 7.5 84 89 A Q H X S+ 0 0 105 -4,-2.2 4,-2.1 -5,-0.2 -1,-0.2 0.859 108.0 53.3 -68.1 -35.5 2.7 20.5 9.0 85 90 A N H X S+ 0 0 80 -4,-1.7 4,-1.9 2,-0.2 -2,-0.2 0.916 111.7 44.7 -65.3 -43.7 -0.7 19.4 7.7 86 91 A W H X S+ 0 0 16 -4,-2.3 4,-2.4 2,-0.2 -2,-0.2 0.910 110.7 54.7 -66.8 -39.8 -0.2 15.9 9.4 87 92 A T H X S+ 0 0 36 -4,-2.4 4,-2.6 -5,-0.2 -2,-0.2 0.922 108.9 49.2 -57.3 -42.8 1.1 17.7 12.6 88 93 A E H X S+ 0 0 53 -4,-2.1 4,-1.9 2,-0.2 -1,-0.2 0.866 108.5 51.2 -67.1 -37.1 -2.2 19.7 12.6 89 94 A L H X S+ 0 0 44 -4,-1.9 4,-1.8 1,-0.2 -1,-0.2 0.906 113.8 46.9 -64.3 -40.9 -4.4 16.6 12.1 90 95 A G H X S+ 0 0 0 -4,-2.4 4,-2.4 171,-0.3 -2,-0.2 0.876 111.1 48.5 -67.9 -40.7 -2.5 15.1 15.1 91 96 A L H X S+ 0 0 15 -4,-2.6 4,-3.1 1,-0.2 -1,-0.2 0.857 110.3 54.3 -69.0 -32.2 -2.7 18.1 17.4 92 97 A K H X S+ 0 0 120 -4,-1.9 4,-1.2 2,-0.2 -2,-0.2 0.914 109.3 46.2 -66.5 -42.9 -6.4 18.3 16.6 93 98 A A H ><>S+ 0 0 3 -4,-1.8 5,-2.6 2,-0.2 3,-0.5 0.941 115.1 46.9 -65.7 -45.7 -7.0 14.7 17.6 94 99 A I H ><5S+ 0 0 1 -4,-2.4 3,-1.9 1,-0.2 5,-0.3 0.949 110.5 53.8 -59.5 -46.3 -4.9 15.2 20.8 95 100 A G H 3<5S+ 0 0 19 -4,-3.1 -1,-0.2 1,-0.3 -2,-0.2 0.720 106.9 51.1 -60.8 -24.7 -6.9 18.4 21.4 96 101 A N T <<5S- 0 0 102 -4,-1.2 -1,-0.3 -3,-0.5 -2,-0.2 0.240 118.4-110.0 -97.8 13.3 -10.2 16.6 21.2 97 102 A G T < 5S+ 0 0 28 -3,-1.9 -3,-0.2 -5,-0.1 -2,-0.1 0.774 82.0 125.9 66.6 30.4 -9.1 14.0 23.7 98 103 A E < + 0 0 50 -5,-2.6 147,-2.7 -6,-0.2 146,-2.0 0.356 50.0 80.5-101.4 7.5 -8.9 11.2 21.1 99 104 A V E +c 245 0A 1 -6,-0.3 60,-0.6 58,-0.3 2,-0.3 -0.936 46.9 170.0-123.6 133.7 -5.3 10.1 21.6 100 105 A A E -cd 246 159A 0 145,-2.2 147,-2.0 -2,-0.4 2,-0.4 -0.935 23.2-133.0-134.1 162.1 -3.8 7.8 24.2 101 106 A V E -cd 247 160A 0 58,-2.6 60,-2.8 -2,-0.3 2,-0.6 -0.947 6.1-157.5-119.5 132.3 -0.4 6.2 24.7 102 107 A L E -cd 248 161A 2 145,-2.5 147,-1.6 -2,-0.4 2,-0.5 -0.962 15.9-162.8-108.5 119.6 0.4 2.5 25.5 103 108 A L E -cd 249 162A 1 58,-3.0 60,-2.6 -2,-0.6 2,-1.0 -0.888 14.7-151.7-105.7 126.0 3.9 2.2 27.1 104 109 A M E +cd 250 163A 11 145,-2.4 147,-2.3 -2,-0.5 60,-0.1 -0.835 24.5 170.0 -93.1 104.7 5.7 -1.2 27.3 105 110 A A E - 0 0 6 58,-2.0 13,-0.3 -2,-1.0 14,-0.3 0.670 17.9-168.9 -92.0 -16.2 7.8 -0.6 30.4 106 111 A G E - d 0 164A 31 57,-0.8 59,-1.3 -3,-0.1 -1,-0.2 -0.267 28.8 -62.8 65.4-147.6 9.0 -4.1 30.9 107 112 A G S S- 0 0 27 1,-0.3 11,-2.5 57,-0.2 12,-0.2 -0.020 77.9 -21.8-114.6-143.4 10.8 -5.1 34.0 108 113 A Q B -K 117 0B 89 9,-0.3 3,-0.3 1,-0.1 -1,-0.3 -0.172 53.6-119.3 -66.8 160.8 14.0 -4.3 35.9 109 114 A G >>> + 0 0 2 7,-2.7 5,-2.1 1,-0.2 3,-1.3 -0.103 62.9 142.5 -92.2 37.9 17.0 -2.8 34.4 110 115 A T G >45 + 0 0 99 1,-0.3 3,-1.8 3,-0.2 -1,-0.2 0.861 67.0 50.7 -43.4 -52.8 19.0 -5.9 35.4 111 116 A R G 345S+ 0 0 178 -3,-0.3 307,-0.7 1,-0.3 -1,-0.3 0.797 108.3 53.9 -60.2 -29.3 21.1 -6.0 32.2 112 117 A L G <45S- 0 0 13 -3,-1.3 307,-0.3 2,-0.2 -1,-0.3 0.540 126.4-102.9 -82.0 -8.4 22.0 -2.3 32.7 113 118 A G T <<5S+ 0 0 70 -3,-1.8 2,-0.4 -4,-0.6 -3,-0.2 0.700 84.6 120.2 92.6 24.1 23.1 -3.2 36.2 114 119 A S < - 0 0 29 -5,-2.1 -1,-0.3 2,-0.1 -2,-0.2 -0.948 52.4-159.6-124.9 143.8 20.1 -1.8 38.0 115 120 A S S S+ 0 0 95 -2,-0.4 -5,-0.1 -7,-0.1 -1,-0.1 0.407 72.2 88.9 -97.3 1.7 17.5 -3.5 40.2 116 121 A A S S- 0 0 37 1,-0.2 -7,-2.7 -7,-0.1 -2,-0.1 -0.463 97.1 -74.7 -94.7 168.4 14.9 -0.8 39.6 117 122 A P B > -K 108 0B 7 0, 0.0 3,-1.8 0, 0.0 4,-0.3 -0.331 47.1-117.2 -58.6 145.6 12.3 -0.7 36.7 118 123 A K G > S+ 0 0 43 -11,-2.5 3,-1.9 -13,-0.3 13,-0.3 0.853 112.1 64.3 -55.8 -37.3 14.1 0.2 33.4 119 124 A G G 3 S+ 0 0 0 -14,-0.3 13,-2.8 1,-0.3 12,-0.4 0.705 94.1 62.3 -61.6 -19.1 12.1 3.5 33.1 120 125 A C G < S+ 0 0 24 -3,-1.8 -1,-0.3 11,-0.2 -2,-0.2 0.598 76.8 124.4 -80.0 -13.0 13.8 4.8 36.3 121 126 A F < - 0 0 35 -3,-1.9 10,-1.1 -4,-0.3 2,-0.7 -0.233 52.1-148.4 -58.5 133.2 17.3 4.6 34.7 122 127 A N B -L 130 0C 53 8,-0.2 8,-0.2 1,-0.1 -1,-0.1 -0.891 10.2-170.7-103.1 107.3 19.3 7.8 34.7 123 128 A I - 0 0 1 -2,-0.7 307,-0.2 6,-0.5 -1,-0.1 0.385 49.6-110.8 -80.0 7.0 21.6 8.1 31.6 124 129 A E + 0 0 111 1,-0.1 6,-0.1 5,-0.1 -2,-0.1 0.892 53.1 168.0 64.9 46.0 23.2 11.1 33.2 125 130 A L > - 0 0 0 4,-0.3 3,-1.9 1,-0.1 -1,-0.1 -0.409 58.5 -94.3 -70.2 165.8 22.2 14.0 31.1 126 131 A P T 3 S+ 0 0 47 0, 0.0 -1,-0.1 0, 0.0 354,-0.1 0.864 131.1 51.0 -52.4 -35.7 22.9 17.4 32.7 127 132 A S T 3 S- 0 0 27 2,-0.1 353,-0.0 1,-0.1 -3,-0.0 0.617 99.0-140.6 -77.7 -15.1 19.4 17.3 34.0 128 133 A Q < + 0 0 100 -3,-1.9 2,-0.3 1,-0.2 -1,-0.1 0.722 42.1 162.9 60.5 25.1 19.8 13.8 35.5 129 134 A K - 0 0 24 1,-0.1 -6,-0.5 -7,-0.1 -4,-0.3 -0.556 35.3-125.8 -80.5 137.5 16.2 13.0 34.4 130 135 A S B > -L 122 0C 8 -2,-0.3 4,-2.3 -8,-0.2 -8,-0.2 -0.205 29.0-104.2 -70.5 167.7 15.1 9.3 34.2 131 136 A L H > S+ 0 0 0 -10,-1.1 4,-2.5 -12,-0.4 5,-0.2 0.924 123.3 54.4 -60.5 -43.0 13.5 7.9 31.0 132 137 A F H > S+ 0 0 0 -13,-2.8 4,-2.3 1,-0.2 -1,-0.2 0.928 109.8 46.4 -58.1 -44.6 10.1 8.0 32.7 133 138 A Q H > S+ 0 0 46 -14,-0.3 4,-2.2 2,-0.2 -1,-0.2 0.898 110.0 52.8 -66.5 -38.1 10.5 11.7 33.4 134 139 A I H X S+ 0 0 6 -4,-2.3 4,-1.3 1,-0.2 -2,-0.2 0.952 113.6 43.6 -61.2 -46.3 11.8 12.5 29.9 135 140 A Q H X S+ 0 0 1 -4,-2.5 4,-1.8 1,-0.2 -1,-0.2 0.858 110.6 55.0 -68.1 -36.0 8.7 10.9 28.4 136 141 A A H X S+ 0 0 0 -4,-2.3 4,-2.2 -5,-0.2 -1,-0.2 0.882 108.9 48.6 -63.6 -39.5 6.4 12.5 30.9 137 142 A E H X S+ 0 0 31 -4,-2.2 4,-2.0 1,-0.2 -1,-0.2 0.793 106.4 57.0 -72.5 -26.2 7.7 15.9 29.9 138 143 A K H X S+ 0 0 3 -4,-1.3 4,-2.3 2,-0.2 -1,-0.2 0.898 108.1 47.7 -67.4 -42.1 7.3 15.0 26.2 139 144 A I H X S+ 0 0 0 -4,-1.8 4,-2.2 2,-0.2 5,-0.2 0.942 110.5 50.4 -64.2 -49.7 3.6 14.4 26.9 140 145 A L H X S+ 0 0 33 -4,-2.2 4,-1.5 1,-0.2 -2,-0.2 0.902 112.5 48.3 -56.3 -42.6 3.1 17.7 28.9 141 146 A K H X S+ 0 0 35 -4,-2.0 4,-2.3 2,-0.2 -1,-0.2 0.911 110.7 48.0 -66.9 -44.4 4.8 19.6 26.0 142 147 A I H X S+ 0 0 2 -4,-2.3 4,-2.2 1,-0.2 -1,-0.2 0.849 109.1 54.4 -68.9 -29.5 2.7 18.1 23.2 143 148 A E H X S+ 0 0 0 -4,-2.2 4,-2.3 -5,-0.2 -1,-0.2 0.901 110.0 49.6 -65.5 -37.4 -0.5 18.7 25.2 144 149 A Q H X S+ 0 0 63 -4,-1.5 4,-2.3 -5,-0.2 -2,-0.2 0.893 109.1 49.5 -65.5 -43.3 0.7 22.3 25.4 145 150 A L H X S+ 0 0 43 -4,-2.3 4,-2.2 2,-0.2 -1,-0.2 0.881 112.0 49.1 -66.5 -36.9 1.3 22.6 21.6 146 151 A A H X S+ 0 0 0 -4,-2.2 4,-2.3 2,-0.2 5,-0.2 0.915 109.9 51.4 -66.2 -43.6 -2.1 21.1 21.0 147 152 A Q H X>S+ 0 0 23 -4,-2.3 5,-1.8 1,-0.2 4,-1.3 0.917 111.9 47.3 -58.8 -43.3 -3.7 23.6 23.4 148 153 A Q H <5S+ 0 0 129 -4,-2.3 -1,-0.2 2,-0.2 -2,-0.2 0.904 110.5 51.4 -65.9 -42.5 -2.0 26.5 21.6 149 154 A Y H <5S+ 0 0 92 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.896 120.3 34.1 -61.4 -42.9 -3.0 25.2 18.1 150 155 A L H <5S- 0 0 61 -4,-2.3 -1,-0.2 -5,-0.1 -2,-0.2 0.559 103.2-131.4 -89.0 -9.6 -6.7 25.0 19.1 151 156 A K T <5 + 0 0 180 -4,-1.3 -3,-0.2 -5,-0.2 2,-0.2 0.887 43.8 172.8 59.3 43.2 -6.5 28.0 21.5 152 157 A S < - 0 0 45 -5,-1.8 -1,-0.2 -6,-0.2 -2,-0.0 -0.522 40.4-129.3 -83.5 151.5 -8.2 26.0 24.2 153 158 A T S S+ 0 0 143 -2,-0.2 2,-0.3 2,-0.1 -1,-0.1 0.894 94.1 28.0 -64.2 -44.7 -8.7 27.4 27.8 154 159 A K S S- 0 0 122 -7,-0.0 -2,-0.1 1,-0.0 -1,-0.0 -0.857 95.2 -99.8-116.8 155.9 -7.2 24.2 29.5 155 160 A K - 0 0 75 -2,-0.3 -11,-0.1 1,-0.1 -12,-0.1 -0.416 39.6-112.0 -75.4 149.0 -4.7 21.8 28.1 156 161 A P - 0 0 15 0, 0.0 2,-0.5 0, 0.0 -61,-0.1 -0.335 29.5-118.6 -74.6 163.6 -6.0 18.5 26.6 157 162 A I - 0 0 54 -63,-0.2 2,-0.6 -62,-0.1 -58,-0.3 -0.894 18.2-166.9-111.9 130.7 -5.2 15.2 28.3 158 163 A I - 0 0 0 -2,-0.5 2,-0.2 -60,-0.1 -58,-0.2 -0.958 23.0-139.4-112.6 109.5 -3.3 12.3 26.8 159 164 A N E -d 100 0A 15 -2,-0.6 -58,-2.6 -60,-0.6 2,-0.6 -0.531 11.3-152.1 -71.6 138.3 -3.8 9.2 29.0 160 165 A W E -de 101 189A 0 28,-3.4 30,-2.2 -2,-0.2 2,-0.7 -0.913 6.5-164.7-117.7 101.8 -0.6 7.2 29.5 161 166 A Y E -de 102 190A 0 -60,-2.8 -58,-3.0 -2,-0.6 2,-0.6 -0.782 9.2-162.8 -91.0 114.5 -1.2 3.5 30.0 162 167 A I E -de 103 191A 0 28,-2.4 30,-2.0 -2,-0.7 2,-0.7 -0.872 6.7-156.6-107.5 116.2 1.9 1.9 31.4 163 168 A M E +de 104 192A 3 -60,-2.6 -58,-2.0 -2,-0.6 -57,-0.8 -0.795 20.2 178.2 -91.7 114.1 2.3 -1.9 31.3 164 169 A T E -de 106 193A 0 28,-2.0 30,-2.6 -2,-0.7 2,-0.2 -0.607 34.2-103.2-107.3 169.4 4.8 -3.1 33.9 165 170 A S >> - 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