==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-JAN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LYASE 22-APR-10 3AHJ . COMPND 2 MOLECULE: XYLULOSE 5-PHOSPHATE/FRUCTOSE 6-PHOSPHATE PHOSPHO . SOURCE 2 ORGANISM_SCIENTIFIC: BIFIDOBACTERIUM BREVE; . AUTHOR R.SUZUKI,T.KATAYAMA,B.-J.KIM,T.WAKAGI,H.SHOUN,H.ASHIDA,K.YAM . 802 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 29145.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 565 70.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 75 9.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 24 3.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.2 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 . 65 8.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 107 13.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 259 32.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 0.9 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 2 2 2 1 1 3 1 0 3 1 0 1 1 1 0 0 0 0 1 0 0 0 0 1 0 1 RESIDUES PER ALPHA HELIX . 3 2 2 3 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 PARALLEL BRIDGES PER LADDER . 6 1 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 0 ANTIPARALLEL BRIDGES PER LADDER . 2 0 0 1 1 0 0 1 0 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 5 A V 0 0 163 0, 0.0 2,-0.6 0, 0.0 3,-0.0 0.000 360.0 360.0 360.0 128.5 46.7 76.4 28.2 2 6 A I - 0 0 22 362,-0.0 82,-0.5 363,-0.0 368,-0.0 -0.852 360.0 -41.8 -91.3 120.1 49.4 73.7 29.2 3 7 A G B S-A 83 0A 29 -2,-0.6 80,-0.2 80,-0.1 79,-0.1 -0.173 95.1 -52.1 67.3-151.5 52.5 75.3 30.8 4 8 A T > - 0 0 70 78,-2.1 3,-0.6 77,-0.3 -1,-0.1 -0.918 66.0-140.1-128.2 96.7 54.1 78.5 29.5 5 9 A P T 3 + 0 0 33 0, 0.0 78,-0.1 0, 0.0 165,-0.1 -0.342 69.3 0.4 -71.7 140.5 54.7 77.9 25.7 6 10 A W T 3 S+ 0 0 33 1,-0.2 2,-0.5 163,-0.2 269,-0.1 0.864 83.3 155.2 60.6 45.3 57.8 79.0 23.8 7 11 A Q < - 0 0 107 -3,-0.6 -1,-0.2 74,-0.3 2,-0.2 -0.901 34.5-139.1-106.4 133.9 59.7 80.6 26.8 8 12 A K - 0 0 81 -2,-0.5 256,-0.0 1,-0.1 260,-0.0 -0.540 8.6-135.1 -82.0 155.5 63.5 80.9 26.8 9 13 A L - 0 0 28 -2,-0.2 -1,-0.1 255,-0.1 255,-0.0 0.872 14.3-160.6 -74.0 -45.3 65.6 80.2 29.8 10 14 A D + 0 0 150 1,-0.1 -2,-0.0 0, 0.0 -1,-0.0 0.840 69.0 69.5 58.2 27.7 68.0 83.2 29.8 11 15 A R S S- 0 0 122 3,-0.0 -1,-0.1 0, 0.0 -2,-0.1 -0.937 93.7 -90.2-157.7 158.2 70.5 81.2 32.1 12 16 A P - 0 0 113 0, 0.0 2,-0.2 0, 0.0 3,-0.1 -0.303 53.9 -89.8 -62.1 158.0 72.7 78.1 31.6 13 17 A V - 0 0 25 244,-0.1 248,-0.1 1,-0.1 247,-0.0 -0.521 55.2-106.9 -61.8 133.2 71.3 74.7 32.4 14 18 A S > - 0 0 39 -2,-0.2 4,-1.9 1,-0.1 3,-0.2 -0.255 12.8-125.1 -65.4 151.7 72.0 74.0 36.1 15 19 A E H > S+ 0 0 71 1,-0.2 4,-2.2 2,-0.2 5,-0.1 0.826 112.9 61.3 -66.5 -28.6 74.7 71.5 37.1 16 20 A E H > S+ 0 0 137 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.886 103.6 49.0 -60.5 -39.5 71.9 69.8 39.2 17 21 A A H > S+ 0 0 4 -3,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.908 109.0 51.9 -73.7 -37.6 69.9 69.2 36.0 18 22 A I H X S+ 0 0 4 -4,-1.9 4,-1.9 1,-0.2 -1,-0.2 0.919 109.7 50.3 -59.2 -46.1 73.0 67.8 34.2 19 23 A E H X S+ 0 0 81 -4,-2.2 4,-1.9 2,-0.2 -2,-0.2 0.911 111.2 47.5 -58.9 -40.7 73.5 65.4 37.1 20 24 A G H X S+ 0 0 4 -4,-2.0 4,-3.0 1,-0.2 5,-0.2 0.917 109.1 54.4 -70.1 -40.3 69.8 64.2 37.0 21 25 A M H X S+ 0 0 0 -4,-2.3 4,-2.5 2,-0.2 -1,-0.2 0.874 107.2 50.0 -60.0 -42.0 69.9 63.6 33.3 22 26 A D H X S+ 0 0 21 -4,-1.9 4,-2.4 2,-0.2 -1,-0.2 0.913 112.7 47.8 -62.6 -41.5 73.0 61.4 33.6 23 27 A K H X S+ 0 0 38 -4,-1.9 4,-2.5 2,-0.2 -2,-0.2 0.902 111.9 49.6 -64.9 -39.6 71.1 59.4 36.3 24 28 A Y H X S+ 0 0 0 -4,-3.0 4,-2.9 2,-0.2 5,-0.3 0.912 111.3 49.2 -60.4 -48.3 68.0 59.2 34.1 25 29 A W H X S+ 0 0 2 -4,-2.5 4,-2.2 1,-0.2 -2,-0.2 0.931 114.2 44.8 -60.4 -46.9 70.1 58.0 31.2 26 30 A R H X S+ 0 0 34 -4,-2.4 4,-2.3 2,-0.2 -1,-0.2 0.881 115.2 47.0 -63.0 -42.5 71.9 55.3 33.4 27 31 A V H X S+ 0 0 0 -4,-2.5 4,-2.7 2,-0.2 -2,-0.2 0.897 114.7 46.0 -72.1 -38.6 68.6 54.1 35.1 28 32 A T H X S+ 0 0 0 -4,-2.9 4,-1.2 2,-0.2 -2,-0.2 0.863 113.9 48.9 -73.5 -36.0 66.6 53.9 31.8 29 33 A N H X S+ 0 0 1 -4,-2.2 4,-2.3 -5,-0.3 5,-0.2 0.941 113.8 47.7 -60.5 -47.3 69.6 52.1 30.1 30 34 A Y H X S+ 0 0 0 -4,-2.3 4,-2.3 1,-0.2 -2,-0.2 0.921 114.7 44.0 -60.0 -48.0 69.7 49.7 33.0 31 35 A M H X S+ 0 0 0 -4,-2.7 4,-2.0 1,-0.2 -1,-0.2 0.672 110.5 56.1 -73.1 -21.3 66.0 49.1 33.1 32 36 A S H X S+ 0 0 0 -4,-1.2 4,-1.7 2,-0.2 -1,-0.2 0.891 109.6 44.7 -74.3 -42.1 65.9 48.7 29.3 33 37 A I H X S+ 0 0 0 -4,-2.3 4,-2.6 1,-0.2 5,-0.4 0.910 112.5 54.2 -68.0 -38.6 68.5 46.0 29.5 34 38 A G H X S+ 0 0 0 -4,-2.3 4,-2.5 -5,-0.2 -2,-0.2 0.920 106.0 52.0 -58.2 -43.0 66.5 44.5 32.4 35 39 A Q H < S+ 0 0 0 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.850 115.6 41.4 -60.9 -38.0 63.4 44.3 30.3 36 40 A I H < S+ 0 0 1 -4,-1.7 22,-0.5 1,-0.1 -2,-0.2 0.887 129.3 21.4 -76.5 -39.5 65.2 42.5 27.6 37 41 A Y H < S+ 0 0 0 -4,-2.6 17,-3.0 -5,-0.1 2,-0.5 0.732 101.7 78.9-108.3 -25.9 67.3 40.0 29.6 38 42 A L B < +B 53 0B 0 -4,-2.5 15,-0.2 -5,-0.4 3,-0.1 -0.799 29.6 171.0-112.0 126.4 65.9 39.4 33.1 39 43 A R S S+ 0 0 52 13,-2.7 2,-0.3 -2,-0.5 88,-0.2 0.670 79.7 0.7 -94.7 -21.5 63.0 37.3 34.3 40 44 A S S S+ 0 0 26 12,-1.4 -1,-0.2 1,-0.2 4,-0.1 -0.956 106.8 47.3-154.1 172.3 63.9 37.8 38.0 41 45 A N > - 0 0 25 -2,-0.3 3,-1.7 -3,-0.1 -1,-0.2 0.951 53.6-178.3 60.6 62.1 66.3 39.5 40.4 42 46 A P T 3 S+ 0 0 2 0, 0.0 -1,-0.1 0, 0.0 -8,-0.1 0.760 78.8 48.0 -68.2 -25.4 66.2 43.0 38.8 43 47 A L T 3 S- 0 0 29 76,-0.0 -2,-0.1 300,-0.0 5,-0.1 0.258 110.7-118.3 -97.4 9.0 68.7 44.5 41.3 44 48 A M < - 0 0 29 -3,-1.7 4,-0.2 1,-0.2 2,-0.1 0.908 46.3-178.9 60.0 42.5 71.2 41.7 40.9 45 49 A K - 0 0 101 2,-0.2 -1,-0.2 1,-0.1 -2,-0.0 -0.429 41.8 -53.0 -79.3 144.0 70.9 40.7 44.5 46 50 A E S S+ 0 0 180 1,-0.2 -1,-0.1 -2,-0.1 3,-0.0 -0.442 128.2 39.8 -59.3 127.8 73.1 37.8 45.7 47 51 A P S S+ 0 0 83 0, 0.0 2,-0.6 0, 0.0 -1,-0.2 0.422 73.8 170.2 -86.3 136.9 72.9 35.2 44.1 48 52 A F + 0 0 20 -4,-0.2 2,-0.3 -5,-0.1 -2,-0.1 -0.933 21.8 150.5-105.8 119.5 72.7 36.7 40.6 49 53 A T > - 0 0 61 -2,-0.6 3,-2.6 -3,-0.0 4,-0.2 -0.855 62.9 -86.2-142.1 173.1 73.0 33.8 38.1 50 54 A R G > S+ 0 0 104 1,-0.3 3,-1.9 -2,-0.3 276,-0.0 0.729 116.2 74.3 -53.1 -24.8 72.0 32.7 34.6 51 55 A D G 3 S+ 0 0 101 1,-0.3 -1,-0.3 -12,-0.0 -12,-0.1 0.751 90.5 59.1 -65.2 -21.8 68.8 31.3 36.2 52 56 A D G < S+ 0 0 15 -3,-2.6 -13,-2.7 -13,-0.1 -12,-1.4 0.596 87.8 95.5 -79.6 -9.7 67.7 34.9 36.3 53 57 A V B < S-B 38 0B 0 -3,-1.9 -15,-0.3 -15,-0.2 -16,-0.1 -0.612 85.3-102.2 -86.0 139.8 68.0 35.4 32.5 54 58 A K - 0 0 8 -17,-3.0 270,-0.2 -2,-0.3 3,-0.2 -0.237 17.4-138.2 -58.4 147.2 65.0 35.0 30.2 55 59 A H S S+ 0 0 129 1,-0.3 2,-0.5 -4,-0.1 -1,-0.1 0.808 98.6 43.1 -80.9 -31.6 64.7 31.7 28.3 56 60 A R S S- 0 0 183 2,-0.1 2,-0.8 -19,-0.0 -1,-0.3 -0.894 79.3-158.1-116.2 102.4 63.6 33.6 25.1 57 61 A L + 0 0 34 -2,-0.5 2,-0.4 -3,-0.2 -20,-0.1 -0.660 26.9 159.4 -84.9 105.3 65.8 36.8 24.6 58 62 A V + 0 0 52 -2,-0.8 2,-0.3 -22,-0.5 -2,-0.1 -0.987 20.3 70.0-130.9 146.0 63.8 39.1 22.3 59 63 A G - 0 0 6 -2,-0.4 2,-0.4 -22,-0.0 35,-0.1 -0.932 69.0 -83.6 141.9-177.6 64.0 42.9 21.8 60 64 A H + 0 0 27 33,-0.3 4,-0.4 -2,-0.3 257,-0.2 -0.910 32.8 166.9-139.7 102.8 66.1 45.7 20.3 61 65 A W + 0 0 1 256,-3.1 3,-0.4 -2,-0.4 236,-0.2 0.865 63.7 76.6 -78.9 -37.8 69.0 47.2 22.2 62 66 A G S S+ 0 0 2 253,-1.3 235,-2.3 254,-0.8 4,-0.4 0.838 101.7 32.6 -52.4 -52.6 70.6 49.2 19.4 63 67 A T S >> S+ 0 0 2 253,-0.4 4,-1.8 1,-0.2 3,-0.9 0.833 105.0 80.7 -68.9 -33.5 68.4 52.2 19.1 64 68 A T H 3> S+ 0 0 0 -3,-0.4 4,-2.5 -4,-0.4 5,-0.2 0.791 83.7 49.8 -54.1 -49.2 67.5 52.3 22.8 65 69 A P H 3> S+ 0 0 0 0, 0.0 4,-1.7 0, 0.0 -1,-0.2 0.843 112.9 52.5 -65.9 -25.1 70.4 54.0 24.6 66 70 A G H <> S+ 0 0 2 -3,-0.9 4,-2.5 -4,-0.4 -2,-0.2 0.919 110.4 46.5 -67.4 -46.9 70.1 56.9 22.0 67 71 A L H X S+ 0 0 0 -4,-1.8 4,-2.6 1,-0.2 -1,-0.2 0.895 111.5 53.0 -58.4 -40.2 66.4 57.2 22.7 68 72 A N H X S+ 0 0 0 -4,-2.5 4,-1.8 2,-0.2 -2,-0.2 0.867 108.9 48.2 -65.5 -37.5 67.2 57.2 26.4 69 73 A F H X S+ 0 0 0 -4,-1.7 4,-1.8 2,-0.2 -1,-0.2 0.937 113.6 47.0 -70.9 -46.0 69.7 60.0 26.1 70 74 A L H X S+ 0 0 2 -4,-2.5 4,-2.6 1,-0.2 -2,-0.2 0.921 110.3 53.5 -60.4 -39.8 67.3 62.1 24.0 71 75 A L H X S+ 0 0 0 -4,-2.6 4,-2.9 1,-0.2 5,-0.2 0.870 105.3 53.8 -66.2 -36.3 64.5 61.5 26.4 72 76 A A H X S+ 0 0 0 -4,-1.8 4,-2.4 1,-0.2 -1,-0.2 0.961 114.3 41.7 -58.2 -47.7 66.6 62.6 29.4 73 77 A H H X S+ 0 0 0 -4,-1.8 4,-2.0 2,-0.2 -2,-0.2 0.829 113.9 50.4 -74.0 -30.4 67.3 65.9 27.6 74 78 A I H X S+ 0 0 0 -4,-2.6 4,-3.0 2,-0.2 -1,-0.2 0.917 111.6 49.9 -71.8 -43.4 63.7 66.3 26.3 75 79 A N H X S+ 0 0 0 -4,-2.9 4,-2.5 2,-0.2 -2,-0.2 0.935 110.8 49.4 -55.4 -45.2 62.4 65.7 29.9 76 80 A R H X S+ 0 0 0 -4,-2.4 4,-2.6 -5,-0.2 5,-0.3 0.957 112.4 49.5 -61.4 -42.9 64.9 68.3 31.2 77 81 A L H X S+ 0 0 0 -4,-2.0 4,-2.6 1,-0.2 5,-0.2 0.929 109.2 50.1 -61.0 -50.0 63.7 70.7 28.5 78 82 A I H X>S+ 0 0 0 -4,-3.0 5,-1.3 1,-0.2 4,-1.1 0.891 114.1 45.8 -54.0 -46.7 60.0 70.3 29.3 79 83 A A H <5S+ 0 0 16 -4,-2.5 -2,-0.2 2,-0.2 -1,-0.2 0.919 114.4 44.4 -66.3 -48.8 60.6 70.9 32.9 80 84 A D H <5S+ 0 0 44 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.871 127.1 31.4 -66.3 -36.3 62.9 74.0 32.7 81 85 A H H <5S- 0 0 3 -4,-2.6 -77,-0.3 -5,-0.3 -74,-0.3 0.477 97.3-131.9 -98.7 -5.9 60.6 75.6 30.0 82 86 A Q T <5 + 0 0 85 -4,-1.1 -78,-2.1 -5,-0.2 2,-0.5 0.945 45.3 176.6 48.1 53.7 57.3 74.2 31.1 83 87 A Q B < -A 3 0A 0 -5,-1.3 2,-0.3 -6,-0.2 -1,-0.2 -0.822 37.4-125.5-102.6 122.1 56.8 73.3 27.5 84 88 A N + 0 0 1 -82,-0.5 87,-2.7 -2,-0.5 2,-0.4 -0.452 50.0 173.2 -58.0 117.9 53.6 71.4 26.3 85 89 A T B +c 171 0C 0 -2,-0.3 2,-0.4 85,-0.2 87,-0.2 -0.992 33.0 178.2-145.2 133.7 55.4 68.5 24.5 86 90 A V - 0 0 4 85,-1.6 2,-0.3 -2,-0.4 60,-0.1 -0.979 22.2-155.0-125.0 132.7 54.6 65.1 22.7 87 91 A F - 0 0 2 -2,-0.4 2,-0.5 58,-0.3 60,-0.3 -0.728 7.2-136.9-101.9 161.1 57.5 63.2 21.2 88 92 A I E -d 174 0C 0 85,-1.7 87,-2.7 -2,-0.3 2,-1.3 -0.985 4.6-150.1-116.3 129.8 57.4 60.7 18.4 89 93 A M E +d 175 0C 0 -2,-0.5 3,-0.2 59,-0.4 50,-0.2 -0.708 17.7 177.1 -95.4 83.0 59.4 57.5 18.6 90 94 A G S S+ 0 0 0 85,-2.5 2,-2.1 -2,-1.3 -1,-0.2 0.926 80.1 55.8 -46.4 -53.9 60.2 56.8 15.0 91 95 A P S > S+ 0 0 2 0, 0.0 3,-2.6 0, 0.0 -1,-0.3 -0.532 72.9 171.4 -81.0 73.2 62.3 53.7 15.9 92 96 A G G > + 0 0 0 -2,-2.1 47,-1.5 58,-0.8 3,-0.6 0.643 64.1 79.3 -70.1 -8.1 59.3 52.2 17.8 93 97 A H G 3 S+ 0 0 22 57,-0.5 -33,-0.3 1,-0.3 -1,-0.3 0.659 74.4 81.9 -71.7 -8.9 61.2 49.0 18.3 94 98 A G G X> + 0 0 0 -3,-2.6 3,-2.2 1,-0.2 4,-0.9 0.038 56.0 143.7 -84.3 41.4 62.9 50.9 21.0 95 99 A G H X> + 0 0 0 42,-0.8 4,-2.6 -3,-0.6 3,-1.1 0.826 59.7 63.9 -45.8 -45.2 59.9 50.1 23.3 96 100 A P H 3> S+ 0 0 0 0, 0.0 4,-2.2 0, 0.0 -1,-0.3 0.791 98.6 54.7 -57.4 -26.3 62.0 49.8 26.4 97 101 A A H <> S+ 0 0 0 -3,-2.2 4,-1.5 2,-0.2 -2,-0.2 0.814 111.8 45.4 -69.4 -32.8 63.0 53.4 26.2 98 102 A G H S+ 0 0 0 -5,-0.4 4,-2.3 1,-0.2 5,-0.3 0.823 71.1 64.0 -62.5 -29.4 52.6 57.5 34.8 108 112 A Y H > S+ 0 0 3 -6,-2.1 4,-2.9 2,-0.2 7,-0.2 0.954 108.3 39.7 -60.3 -47.5 53.4 53.7 34.4 109 113 A T H 4 S+ 0 0 28 -7,-0.3 -1,-0.2 2,-0.2 -2,-0.2 0.872 113.1 57.0 -69.6 -35.8 52.4 53.0 38.1 110 114 A E H < S+ 0 0 108 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.884 118.8 31.6 -63.2 -37.3 49.4 55.4 37.8 111 115 A Y H < S+ 0 0 74 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.788 130.0 37.3 -89.2 -30.9 48.0 53.5 34.9 112 116 A Y >< - 0 0 51 -4,-2.9 3,-2.6 -5,-0.3 -1,-0.2 -0.694 68.5-177.8-121.7 76.0 49.3 50.0 35.9 113 117 A P T 3 S+ 0 0 97 0, 0.0 -1,-0.1 0, 0.0 -4,-0.1 0.699 79.0 61.4 -53.9 -22.9 48.9 49.9 39.7 114 118 A N T 3 S+ 0 0 111 1,-0.2 2,-1.4 2,-0.1 10,-0.1 0.743 88.9 73.1 -75.2 -21.8 50.5 46.4 40.0 115 119 A I S < S- 0 0 10 -3,-2.6 -3,-0.2 -7,-0.2 -1,-0.2 -0.672 81.4-177.5 -92.4 82.9 53.8 47.6 38.5 116 120 A T - 0 0 42 -2,-1.4 2,-1.5 1,-0.1 9,-0.2 -0.321 37.2-100.9 -91.1 170.4 54.8 49.5 41.6 117 121 A K S S+ 0 0 110 4,-0.1 2,-0.3 -2,-0.1 -1,-0.1 -0.457 91.2 68.1 -87.8 65.6 57.8 51.6 42.4 118 122 A D S > S- 0 0 55 -2,-1.5 4,-2.2 233,-0.1 232,-0.3 -0.888 102.6 -70.7-167.8-179.9 59.9 49.1 44.3 119 123 A E H > S+ 0 0 50 230,-2.6 4,-2.4 -2,-0.3 5,-0.2 0.902 127.7 49.3 -61.1 -38.2 61.8 45.9 43.9 120 124 A A H > S+ 0 0 55 229,-0.3 4,-1.8 1,-0.2 -1,-0.2 0.914 113.9 45.8 -66.1 -43.2 58.7 43.7 43.4 121 125 A G H > S+ 0 0 0 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.895 112.0 51.9 -64.3 -35.1 57.2 46.1 40.8 122 126 A L H X S+ 0 0 0 -4,-2.2 4,-2.6 2,-0.2 -2,-0.2 0.877 107.5 52.0 -74.8 -37.7 60.6 46.4 39.0 123 127 A Q H X S+ 0 0 44 -4,-2.4 4,-2.3 1,-0.2 -1,-0.2 0.941 113.3 45.0 -63.5 -40.5 60.9 42.6 38.8 124 128 A K H X S+ 0 0 70 -4,-1.8 4,-2.4 1,-0.2 -2,-0.2 0.876 110.9 54.0 -70.9 -38.8 57.5 42.5 37.2 125 129 A F H X S+ 0 0 0 -4,-2.7 4,-0.8 1,-0.2 -1,-0.2 0.927 111.2 45.2 -61.8 -43.4 58.3 45.4 34.9 126 130 A F H >< S+ 0 0 2 -4,-2.6 3,-0.8 1,-0.2 -2,-0.2 0.966 115.3 46.2 -64.0 -50.9 61.4 43.6 33.6 127 131 A R H 3< S+ 0 0 81 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.915 106.2 57.8 -60.7 -44.6 59.7 40.2 33.1 128 132 A Q H >< S+ 0 0 30 -4,-2.4 7,-2.7 -5,-0.2 3,-1.4 0.685 76.7 108.6 -67.8 -20.5 56.6 41.4 31.4 129 133 A F B << S-h 135 0D 1 -3,-0.8 8,-0.1 -4,-0.8 5,-0.0 -0.433 103.3 -15.2 -62.2 124.3 58.4 43.2 28.4 130 134 A S T 3 S+ 0 0 26 5,-1.6 -1,-0.3 6,-0.4 7,-0.1 0.893 110.9 132.3 54.8 43.6 57.8 41.2 25.2 131 135 A Y X - 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