==== 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 2YQJ . COMPND 2 MOLECULE: UDP-N-ACETYLGLUCOSAMINE PYROPHOSPHORYLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: CANDIDA ALBICANS; . AUTHOR K.MIKI,D.MARUYAMA,Y.NISHITANI,T.NONAKA,A.KITA . 944 6 2 2 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 41662.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 631 66.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 68 7.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 101 10.7 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 3 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 5 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 . 2 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 . 52 5.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 120 12.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 242 25.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 18 1.9 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 3 1 0 4 0 0 5 4 1 2 0 0 2 0 2 0 2 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 2 2 0 6 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 . 8 7 2 0 6 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 ANTIPARALLEL BRIDGES PER LADDER . 9 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 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 0 160 0, 0.0 2,-0.3 0, 0.0 38,-0.0 0.000 360.0 360.0 360.0 132.3 -11.9 -22.1 40.2 2 4 A K - 0 0 53 1,-0.1 37,-0.1 37,-0.1 2,-0.0 -0.672 360.0-107.9 -95.5 152.0 -10.4 -25.6 40.2 3 5 A S > - 0 0 58 -2,-0.3 4,-1.9 1,-0.1 3,-0.4 -0.283 33.8-102.7 -72.1 164.3 -9.5 -27.4 43.4 4 6 A Q H > S+ 0 0 77 1,-0.2 4,-1.9 2,-0.2 5,-0.1 0.920 123.6 51.7 -52.1 -45.9 -5.9 -28.0 44.4 5 7 A Q H > S+ 0 0 105 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.839 106.2 53.2 -62.4 -36.0 -6.2 -31.6 43.2 6 8 A Q H > S+ 0 0 109 -3,-0.4 4,-2.5 2,-0.2 -1,-0.2 0.894 107.5 49.9 -69.2 -38.9 -7.6 -30.6 39.8 7 9 A I H X S+ 0 0 20 -4,-1.9 4,-1.9 1,-0.2 -2,-0.2 0.928 112.2 49.6 -64.7 -43.5 -4.7 -28.2 39.0 8 10 A I H X S+ 0 0 8 -4,-1.9 4,-1.8 -5,-0.2 -2,-0.2 0.937 110.2 49.7 -59.8 -49.5 -2.3 -30.9 40.0 9 11 A D H X S+ 0 0 67 -4,-2.4 4,-2.9 1,-0.2 3,-0.5 0.953 109.0 52.4 -55.8 -52.4 -4.0 -33.6 37.8 10 12 A S H X S+ 0 0 35 -4,-2.5 4,-0.7 1,-0.3 -1,-0.2 0.867 110.2 47.2 -54.6 -39.6 -4.0 -31.3 34.8 11 13 A F H <>S+ 0 0 2 -4,-1.9 5,-2.6 2,-0.2 -1,-0.3 0.813 112.6 50.1 -74.1 -26.3 -0.3 -30.6 35.0 12 14 A K H ><5S+ 0 0 89 -4,-1.8 3,-1.8 -3,-0.5 5,-0.3 0.877 107.7 52.5 -75.4 -38.5 0.5 -34.3 35.4 13 15 A Q H 3<5S+ 0 0 157 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.703 106.0 55.6 -69.0 -18.4 -1.7 -35.1 32.4 14 16 A A T 3<5S- 0 0 6 -4,-0.7 -1,-0.3 -5,-0.3 -2,-0.2 0.222 123.8-111.0 -94.6 12.2 0.5 -32.5 30.6 15 17 A N T < 5S+ 0 0 111 -3,-1.8 3,-0.3 1,-0.1 -3,-0.2 0.843 77.2 134.0 62.6 38.3 3.5 -34.5 31.7 16 18 A Q > < + 0 0 0 -5,-2.6 3,-1.8 1,-0.2 4,-0.3 -0.242 15.4 136.3-108.3 42.5 4.8 -31.9 34.1 17 19 A D G > + 0 0 86 1,-0.3 3,-1.9 -5,-0.3 -1,-0.2 0.805 61.0 71.3 -59.8 -28.6 5.5 -34.5 36.9 18 20 A Q G > S+ 0 0 44 -3,-0.3 3,-1.3 1,-0.3 -1,-0.3 0.782 86.0 69.3 -61.0 -21.0 8.8 -32.8 37.6 19 21 A L G < S+ 0 0 1 -3,-1.8 -1,-0.3 1,-0.3 3,-0.2 0.714 101.9 43.4 -67.2 -22.3 6.8 -29.9 39.1 20 22 A F G X S+ 0 0 21 -3,-1.9 3,-0.8 -4,-0.3 4,-0.5 0.139 76.1 115.4-111.7 19.0 5.7 -32.0 42.0 21 23 A Q T < S+ 0 0 123 -3,-1.3 3,-0.2 1,-0.3 -1,-0.1 0.920 94.9 21.3 -53.0 -47.9 9.1 -33.7 42.8 22 24 A Y T > S+ 0 0 47 185,-0.3 3,-0.7 -4,-0.3 4,-0.3 0.201 92.9 112.7-106.9 15.5 9.2 -32.0 46.2 23 25 A Y G X S+ 0 0 14 -3,-0.8 3,-2.1 1,-0.2 -1,-0.1 0.926 74.3 50.8 -54.2 -55.6 5.5 -31.2 46.6 24 26 A D G 3 S+ 0 0 146 -4,-0.5 -1,-0.2 1,-0.3 -2,-0.1 0.730 105.5 58.1 -57.9 -23.9 4.8 -33.6 49.6 25 27 A S G < S+ 0 0 95 -3,-0.7 -1,-0.3 -4,-0.1 2,-0.2 0.435 90.1 94.6 -87.9 1.9 7.8 -32.2 51.5 26 28 A L S < S- 0 0 20 -3,-2.1 -3,-0.0 -4,-0.3 2,-0.0 -0.576 82.1-105.9 -91.6 156.2 6.4 -28.6 51.5 27 29 A T > - 0 0 79 -2,-0.2 4,-2.2 1,-0.1 5,-0.2 -0.285 37.0-104.3 -70.2 166.7 4.3 -27.0 54.1 28 30 A I H > S+ 0 0 117 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.888 121.2 51.6 -62.6 -40.1 0.6 -26.6 53.5 29 31 A D H > S+ 0 0 119 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.894 109.2 50.4 -66.1 -37.3 1.0 -22.8 52.8 30 32 A Q H > S+ 0 0 75 2,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.909 112.0 48.2 -65.1 -40.7 3.8 -23.5 50.3 31 33 A Q H X S+ 0 0 26 -4,-2.2 4,-2.8 1,-0.2 5,-0.2 0.947 112.0 48.8 -64.0 -47.1 1.6 -26.0 48.5 32 34 A Q H X S+ 0 0 90 -4,-2.7 4,-2.0 1,-0.2 -1,-0.2 0.866 113.3 46.9 -61.6 -35.8 -1.3 -23.7 48.4 33 35 A E H X S+ 0 0 65 -4,-2.1 4,-2.3 2,-0.2 -1,-0.2 0.872 111.1 51.7 -74.0 -35.4 0.8 -20.9 47.1 34 36 A F H X S+ 0 0 0 -4,-2.2 4,-2.5 2,-0.2 -2,-0.2 0.920 111.4 47.1 -65.2 -45.9 2.4 -23.1 44.5 35 37 A I H X S+ 0 0 8 -4,-2.8 4,-2.1 2,-0.2 -2,-0.2 0.903 109.1 54.7 -63.7 -40.1 -1.1 -24.2 43.3 36 38 A D H < S+ 0 0 109 -4,-2.0 4,-0.5 -5,-0.2 -2,-0.2 0.933 110.2 47.0 -57.7 -45.4 -2.2 -20.6 43.2 37 39 A Q H >< S+ 0 0 36 -4,-2.3 3,-1.2 1,-0.2 4,-0.2 0.920 111.8 50.4 -61.2 -45.8 0.7 -19.8 41.0 38 40 A L H >< S+ 0 0 1 -4,-2.5 3,-1.4 1,-0.2 -1,-0.2 0.790 100.2 64.8 -63.8 -30.8 0.0 -22.8 38.7 39 41 A S T 3< S+ 0 0 65 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.635 89.0 66.5 -72.3 -12.6 -3.7 -21.9 38.4 40 42 A T T < S+ 0 0 98 -3,-1.2 2,-1.0 -4,-0.5 -1,-0.3 0.617 80.4 92.2 -81.6 -11.0 -2.9 -18.7 36.5 41 43 A I S < S- 0 0 18 -3,-1.4 2,-0.3 -4,-0.2 -1,-0.1 -0.739 75.6-144.5 -88.2 102.9 -1.5 -20.8 33.6 42 44 A E S S- 0 0 73 -2,-1.0 5,-0.3 1,-0.2 -2,-0.1 -0.496 70.1 -12.6 -70.4 127.2 -4.5 -21.3 31.3 43 45 A E > - 0 0 146 -2,-0.3 4,-2.6 3,-0.1 -1,-0.2 0.933 67.9-168.7 44.1 78.9 -4.5 -24.7 29.5 44 46 A P H > S+ 0 0 15 0, 0.0 4,-3.1 0, 0.0 5,-0.3 0.890 81.9 54.0 -60.0 -48.2 -1.1 -26.1 30.3 45 47 A A H > S+ 0 0 58 2,-0.2 4,-1.6 1,-0.2 5,-0.1 0.915 112.8 45.9 -55.8 -44.5 -1.2 -29.1 27.9 46 48 A K H >> S+ 0 0 43 2,-0.2 4,-4.1 1,-0.2 3,-1.0 0.987 112.8 49.3 -60.3 -59.9 -2.0 -26.7 25.1 47 49 A L H 3X S+ 0 0 15 -4,-2.6 4,-2.2 1,-0.3 -2,-0.2 0.855 112.3 48.2 -47.7 -41.9 0.7 -24.2 26.1 48 50 A I H 3X S+ 0 0 23 -4,-3.1 4,-0.7 2,-0.2 -1,-0.3 0.807 114.5 46.8 -71.6 -26.8 3.2 -27.1 26.2 49 51 A S H XX S+ 0 0 57 -4,-1.6 4,-2.2 -3,-1.0 3,-0.8 0.936 110.7 51.4 -75.6 -49.9 1.9 -28.1 22.8 50 52 A T H 3X S+ 0 0 33 -4,-4.1 4,-1.5 1,-0.3 -2,-0.2 0.871 108.9 51.9 -53.0 -40.2 2.1 -24.6 21.5 51 53 A V H 3X S+ 0 0 0 -4,-2.2 4,-1.4 -5,-0.3 -1,-0.3 0.800 105.5 55.4 -68.8 -28.4 5.7 -24.4 22.8 52 54 A E H << S+ 0 0 60 -3,-0.8 3,-0.4 -4,-0.7 -2,-0.2 0.946 103.7 54.9 -66.5 -46.7 6.4 -27.6 20.9 53 55 A Q H < S+ 0 0 86 -4,-2.2 -2,-0.2 1,-0.3 -1,-0.2 0.858 106.8 51.0 -52.0 -42.7 5.2 -25.9 17.7 54 56 A A H < 0 0 41 -4,-1.5 -1,-0.3 -5,-0.2 -2,-0.2 0.842 360.0 360.0 -67.1 -35.2 7.7 -23.1 18.2 55 57 A I < 0 0 92 -4,-1.4 -3,-0.1 -3,-0.4 144,-0.1 0.255 360.0 360.0 -92.5 360.0 10.6 -25.5 18.7 56 ! 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 57 67 A R 0 0 195 0, 0.0 2,-0.5 0, 0.0 232,-0.0 0.000 360.0 360.0 360.0 133.7 11.4 -17.0 3.1 58 68 A N + 0 0 81 2,-0.0 232,-2.8 0, 0.0 233,-0.6 -0.920 360.0 169.1-128.4 105.9 10.9 -14.4 0.4 59 69 A F E +A 289 0A 15 -2,-0.5 2,-0.3 230,-0.2 230,-0.2 -0.808 6.4 170.5-117.3 156.8 11.2 -10.8 1.4 60 70 A T E -A 288 0A 37 228,-1.5 228,-2.3 -2,-0.3 2,-0.2 -0.881 43.6 -75.4-148.8 176.3 11.3 -7.5 -0.6 61 71 A Q - 0 0 64 -2,-0.3 226,-0.1 226,-0.2 3,-0.1 -0.553 58.7 -93.1 -81.6 145.9 11.1 -3.8 0.2 62 72 A L - 0 0 20 224,-0.4 -1,-0.1 -2,-0.2 226,-0.1 -0.182 50.7 -94.4 -54.1 146.3 7.7 -2.3 1.0 63 73 A P > - 0 0 43 0, 0.0 3,-1.5 0, 0.0 4,-0.4 -0.336 33.1-116.8 -62.0 148.6 6.0 -0.9 -2.0 64 74 A N G > S+ 0 0 141 1,-0.3 3,-1.0 2,-0.2 -2,-0.1 0.779 110.0 69.7 -56.6 -28.2 6.6 2.9 -2.4 65 75 A E G 3 S+ 0 0 101 1,-0.2 -1,-0.3 331,-0.0 -3,-0.0 0.768 100.5 44.9 -63.5 -29.1 2.9 3.5 -1.9 66 76 A Q G < S+ 0 0 12 -3,-1.5 331,-2.7 330,-0.1 2,-0.3 0.476 104.4 79.7 -95.2 -1.9 3.0 2.5 1.8 67 77 A T E < +b 397 0A 56 -3,-1.0 2,-0.3 -4,-0.4 331,-0.2 -0.727 45.3 165.6-109.1 156.3 6.2 4.5 2.6 68 78 A A E -b 398 0A 18 329,-1.7 331,-3.3 -2,-0.3 2,-0.4 -0.952 19.0-146.7-156.6 157.1 7.0 8.2 3.3 69 79 A S E >> -b 399 0A 7 -2,-0.3 3,-2.2 329,-0.2 4,-2.1 -0.966 17.0-150.9-141.4 127.0 10.1 9.9 4.8 70 80 A T T 34 S+ 0 0 27 329,-2.7 330,-0.1 -2,-0.4 -1,-0.1 0.672 102.0 63.1 -65.1 -14.4 10.5 13.0 7.0 71 81 A L T 34 S+ 0 0 77 328,-0.4 -1,-0.3 1,-0.1 329,-0.1 0.546 113.8 31.4 -85.3 -7.4 13.9 13.5 5.3 72 82 A D T <4 S+ 0 0 133 -3,-2.2 -2,-0.2 2,-0.1 -1,-0.1 0.701 92.2 98.7-117.5 -33.5 12.2 14.0 1.9 73 83 A L S < S- 0 0 46 -4,-2.1 -5,-0.0 1,-0.1 2,-0.0 -0.229 77.1-104.8 -61.5 146.6 8.8 15.6 2.4 74 84 A S > - 0 0 58 1,-0.1 4,-2.1 4,-0.0 3,-0.4 -0.304 29.3-109.6 -69.3 156.8 8.4 19.4 2.0 75 85 A K H > S+ 0 0 79 1,-0.2 4,-2.1 2,-0.2 5,-0.1 0.834 117.5 55.0 -55.1 -35.2 8.1 21.6 5.0 76 86 A D H > S+ 0 0 133 2,-0.2 4,-2.4 3,-0.2 -1,-0.2 0.869 107.4 46.9 -68.2 -40.7 4.4 22.3 4.1 77 87 A I H > S+ 0 0 75 -3,-0.4 4,-2.5 2,-0.2 5,-0.2 0.966 115.4 45.7 -66.3 -50.4 3.4 18.6 4.0 78 88 A L H X S+ 0 0 33 -4,-2.1 4,-2.4 1,-0.2 -2,-0.2 0.877 113.6 50.8 -57.0 -40.1 5.2 17.9 7.3 79 89 A Q H X S+ 0 0 89 -4,-2.1 4,-2.3 -5,-0.3 -1,-0.2 0.904 109.0 51.3 -66.8 -39.4 3.6 21.1 8.8 80 90 A N H X S+ 0 0 78 -4,-2.4 4,-2.2 2,-0.2 -2,-0.2 0.909 111.0 46.9 -64.6 -40.9 0.2 20.0 7.6 81 91 A W H X S+ 0 0 12 -4,-2.5 4,-2.5 2,-0.2 -2,-0.2 0.914 108.7 56.6 -66.8 -38.2 0.6 16.6 9.3 82 92 A T H X S+ 0 0 24 -4,-2.4 4,-2.3 1,-0.2 -2,-0.2 0.934 109.5 45.6 -55.9 -47.0 1.8 18.4 12.4 83 93 A E H X S+ 0 0 63 -4,-2.3 4,-2.1 2,-0.2 -1,-0.2 0.886 108.6 54.6 -66.8 -40.0 -1.4 20.3 12.5 84 94 A L H X S+ 0 0 50 -4,-2.2 4,-1.8 1,-0.2 -1,-0.2 0.913 113.8 44.1 -58.5 -41.4 -3.6 17.3 11.8 85 95 A G H X S+ 0 0 0 -4,-2.5 4,-2.6 171,-0.3 -2,-0.2 0.865 110.9 51.2 -71.2 -38.5 -1.9 15.7 14.8 86 96 A L H X S+ 0 0 16 -4,-2.3 4,-2.9 -5,-0.2 -1,-0.2 0.834 110.8 51.5 -68.8 -30.3 -2.1 18.7 17.1 87 97 A K H X S+ 0 0 112 -4,-2.1 4,-1.4 2,-0.2 -2,-0.2 0.940 110.0 47.0 -69.8 -46.7 -5.8 19.0 16.3 88 98 A A H <>S+ 0 0 3 -4,-1.8 5,-2.6 2,-0.2 6,-0.4 0.932 116.3 46.4 -59.4 -45.2 -6.4 15.3 17.2 89 99 A I H ><5S+ 0 0 1 -4,-2.6 3,-1.9 1,-0.2 5,-0.3 0.940 110.4 51.8 -61.7 -48.7 -4.4 15.8 20.4 90 100 A G H 3<5S+ 0 0 14 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.716 107.0 55.0 -63.2 -19.6 -6.2 19.1 21.2 91 101 A N T 3<5S- 0 0 85 -4,-1.4 -1,-0.3 -3,-0.3 -2,-0.2 0.311 117.7-110.6 -96.1 8.8 -9.5 17.2 20.8 92 102 A G T < 5S+ 0 0 26 -3,-1.9 -3,-0.2 -5,-0.1 -2,-0.1 0.815 84.3 122.4 68.2 31.7 -8.6 14.6 23.4 93 103 A E < + 0 0 46 -5,-2.6 147,-3.0 -6,-0.2 146,-1.7 0.453 50.4 82.7-103.1 -1.6 -8.4 11.9 20.7 94 104 A V E +c 240 0A 2 -6,-0.4 60,-0.6 -5,-0.3 2,-0.3 -0.885 48.4 172.1-113.2 131.9 -4.7 10.8 21.3 95 105 A A E -cd 241 154A 0 145,-2.6 147,-2.0 -2,-0.4 2,-0.4 -0.906 20.7-136.5-129.7 159.3 -3.4 8.4 23.9 96 106 A V E -cd 242 155A 0 58,-3.1 60,-3.1 -2,-0.3 2,-0.6 -0.973 5.9-159.0-127.5 133.3 -0.0 6.9 24.4 97 107 A L E -cd 243 156A 0 145,-2.8 147,-2.0 -2,-0.4 2,-0.5 -0.927 9.4-165.1-110.5 112.3 1.1 3.4 25.2 98 108 A L E -cd 244 157A 1 58,-3.0 60,-2.7 -2,-0.6 2,-0.9 -0.855 11.8-146.8 -99.7 127.8 4.5 2.9 26.8 99 109 A M E +cd 245 158A 16 145,-2.5 147,-1.4 -2,-0.5 60,-0.1 -0.833 38.4 147.9 -93.5 107.5 6.0 -0.6 26.8 100 110 A A + 0 0 8 58,-2.2 60,-0.5 -2,-0.9 -1,-0.1 -0.186 34.5 105.1-132.0 39.3 8.0 -0.7 30.0 101 111 A G + 0 0 4 58,-0.3 62,-0.1 11,-0.0 58,-0.1 0.475 53.2 105.7 -98.8 -3.9 7.7 -4.4 31.0 102 112 A G - 0 0 52 1,-0.1 11,-0.4 -3,-0.1 58,-0.1 -0.382 64.2-142.4 -77.0 157.1 11.1 -5.5 30.0 103 113 A Q - 0 0 77 9,-0.1 6,-0.3 -2,-0.1 -1,-0.1 0.633 24.7-141.6 -91.1 -17.4 13.9 -6.2 32.5 104 114 A G > + 0 0 18 1,-0.1 3,-1.8 2,-0.1 4,-0.5 0.934 29.7 174.5 53.8 51.1 16.7 -4.7 30.3 105 115 A T G > S+ 0 0 94 1,-0.3 3,-1.5 2,-0.2 -1,-0.1 0.856 72.5 61.5 -55.4 -40.6 19.2 -7.5 31.3 106 116 A R G 3 S+ 0 0 114 1,-0.3 306,-1.7 2,-0.1 -1,-0.3 0.659 100.8 56.6 -62.5 -16.0 21.8 -6.2 28.9 107 117 A L G < S- 0 0 6 -3,-1.8 -1,-0.3 304,-0.3 -2,-0.2 0.589 96.1-141.9 -93.0 -12.4 21.9 -2.9 30.9 108 118 A G < + 0 0 59 -3,-1.5 2,-0.3 -4,-0.5 -3,-0.1 0.953 49.2 131.8 47.0 79.3 22.7 -4.5 34.2 109 119 A S - 0 0 37 -6,-0.3 -1,-0.2 -5,-0.2 4,-0.1 -0.962 53.2-144.8-156.3 140.2 20.5 -2.4 36.6 110 120 A S S S+ 0 0 119 -2,-0.3 -1,-0.1 2,-0.1 3,-0.1 0.872 80.8 73.9 -76.8 -36.9 18.2 -3.3 39.4 111 121 A A S S- 0 0 54 1,-0.1 2,-0.2 2,-0.1 -2,-0.1 -0.205 101.1 -82.7 -74.4 163.3 15.7 -0.5 38.8 112 122 A P > - 0 0 13 0, 0.0 3,-2.4 0, 0.0 4,-0.3 -0.495 43.8-116.0 -67.5 138.0 13.2 -0.3 35.9 113 123 A K G > S+ 0 0 24 -11,-0.4 3,-1.9 1,-0.3 13,-0.3 0.740 111.3 65.2 -42.6 -37.0 15.0 1.0 32.8 114 124 A G G 3 S+ 0 0 2 1,-0.3 13,-2.7 12,-0.1 12,-0.8 0.795 95.0 59.6 -61.2 -27.4 12.8 4.1 32.7 115 125 A C G < S+ 0 0 24 -3,-2.4 -1,-0.3 11,-0.2 -2,-0.2 0.582 82.2 123.8 -75.0 -9.7 14.3 5.3 36.0 116 126 A F < - 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0 0 69 -2,-0.1 4,-1.3 1,-0.1 -1,-0.2 0.870 69.2-167.2 32.7 84.9 42.3 6.5 59.2 520 46 B P H > S+ 0 0 15 0, 0.0 4,-3.0 0, 0.0 5,-0.3 0.868 80.8 60.8 -64.4 -40.3 38.9 4.8 58.7 521 47 B A H > S+ 0 0 63 1,-0.2 4,-1.9 2,-0.2 5,-0.1 0.939 107.9 45.5 -52.4 -49.6 39.6 1.9 61.0 522 48 B K H > S+ 0 0 57 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.837 113.0 51.5 -62.8 -35.9 39.9 4.3 63.9 523 49 B L H X S+ 0 0 18 -4,-1.3 4,-2.5 2,-0.2 -2,-0.2 0.905 108.7 48.6 -69.4 -42.0 36.8 6.2 62.8 524 50 B I H X S+ 0 0 20 -4,-3.0 4,-1.3 2,-0.2 -2,-0.2 0.847 114.5 47.8 -66.4 -33.1 34.7 3.0 62.6 525 51 B S H X S+ 0 0 58 -4,-1.9 4,-1.9 -5,-0.3 -2,-0.2 0.951 109.9 50.3 -71.4 -51.3 35.9 2.1 66.1 526 52 B T H X S+ 0 0 38 -4,-2.7 4,-1.0 1,-0.3 3,-0.3 0.923 114.4 45.6 -51.5 -47.0 35.3 5.5 67.6 527 53 B V H < S+ 0 0 2 -4,-2.5 -1,-0.3 1,-0.2 -2,-0.2 0.829 103.0 65.7 -65.6 -32.4 31.8 5.3 66.1 528 54 B E H < S+ 0 0 68 -4,-1.3 -1,-0.2 -5,-0.2 -2,-0.2 0.921 98.7 55.2 -54.6 -45.9 31.6 1.8 67.4 529 55 B Q H < 0 0 90 -4,-1.9 -2,-0.2 -3,-0.3 -1,-0.1 0.969 360.0 360.0 -48.8 -82.4 31.7 3.2 71.0 530 56 B A < 0 0 76 -4,-1.0 -3,-0.1 297,-0.0 298,-0.1 0.928 360.0 360.0 -69.7 360.0 28.8 5.7 70.7 531 ! 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 0.0 532 67 B R 0 0 184 0, 0.0 2,-0.6 0, 0.0 232,-0.0 0.000 360.0 360.0 360.0 122.1 26.1 12.4 86.0 533 68 B N + 0 0 87 2,-0.0 232,-2.0 0, 0.0 233,-0.6 -0.905 360.0 173.1-116.7 105.5 26.2 14.9 88.8 534 69 B F E +T 764 0I 17 -2,-0.6 2,-0.2 230,-0.2 230,-0.2 -0.764 5.2 164.9-111.4 157.1 25.6 18.5 87.8 535 70 B T E -T 763 0I 32 228,-1.8 228,-1.9 -2,-0.3 2,-0.3 -0.781 43.1 -66.3-148.6-168.8 25.1 21.7 89.9 536 71 B Q - 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