==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=12-AUG-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 05-DEC-11 4AAW . COMPND 2 MOLECULE: BIFUNCTIONAL PROTEIN GLMU; . SOURCE 2 ORGANISM_SCIENTIFIC: STREPTOCOCCUS PNEUMONIAE; . AUTHOR L.OTTERBEIN,J.BREED,D.J.OGG . 455 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 21970.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 348 76.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 115 25.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 27 5.9 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 . 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 . 42 9.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 59 13.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 70 15.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 0.7 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 1 0 2 0 1 0 0 2 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 19 7 1 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 PARALLEL BRIDGES PER LADDER . 2 1 0 2 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 0 ANTIPARALLEL BRIDGES PER LADDER . 1 0 0 0 0 0 0 1 2 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 2 A S 0 0 71 0, 0.0 93,-2.3 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 133.0 68.1 -6.9 36.2 2 3 A N E -a 94 0A 28 41,-0.4 43,-3.0 91,-0.2 44,-0.7 -0.844 360.0-172.5-100.7 139.0 65.8 -3.9 35.3 3 4 A F E -ab 95 46A 6 91,-2.7 93,-2.8 -2,-0.4 2,-0.4 -0.918 7.8-152.0-121.4 162.7 62.5 -4.3 33.6 4 5 A A E -ab 96 47A 0 42,-2.2 44,-2.3 -2,-0.3 2,-0.5 -0.999 6.6-167.5-133.9 134.8 60.2 -1.6 32.2 5 6 A I E -ab 97 48A 0 91,-3.6 93,-2.4 -2,-0.4 2,-0.6 -0.986 11.8-160.0-114.2 127.9 56.4 -1.6 31.7 6 7 A I E -ab 98 49A 0 42,-3.2 44,-3.2 -2,-0.5 2,-0.7 -0.916 9.3-145.1-112.9 123.6 55.1 1.3 29.6 7 8 A L E +ab 99 50A 30 91,-3.1 93,-3.9 -2,-0.6 94,-0.3 -0.777 39.2 146.3 -91.3 113.0 51.4 2.2 29.9 8 9 A A E + b 0 51A 5 42,-2.1 44,-0.6 -2,-0.7 2,-0.3 -0.219 35.5 107.1-136.6 39.7 50.1 3.2 26.4 9 10 A A + 0 0 12 42,-0.3 2,-0.5 43,-0.1 42,-0.1 -0.564 52.1 169.9-124.8 56.5 46.5 1.9 26.6 10 11 A G + 0 0 37 -2,-0.3 2,-0.4 43,-0.2 11,-0.2 -0.669 21.0 176.1 -89.5 124.5 45.0 5.3 27.0 11 12 A K + 0 0 122 -2,-0.5 2,-0.3 9,-0.1 -2,-0.1 -0.999 30.6 124.3-119.3 130.6 41.3 6.1 26.7 12 13 A G - 0 0 67 -2,-0.4 9,-0.1 1,-0.0 4,-0.0 -0.904 47.5-140.5-174.1-179.8 40.5 9.7 27.4 13 14 A T S > S+ 0 0 117 -2,-0.3 3,-1.2 211,-0.1 4,-0.1 0.610 72.3 88.6-138.8 -20.5 38.7 12.4 25.5 14 15 A R T 3 S+ 0 0 143 1,-0.3 212,-0.5 210,-0.2 210,-0.1 0.626 80.4 65.6 -78.7 -14.3 40.3 15.8 25.8 15 16 A M T 3 S- 0 0 11 210,-0.2 -1,-0.3 2,-0.1 3,-0.1 0.804 87.3-150.6 -66.6 -24.7 42.7 15.4 22.8 16 17 A K < + 0 0 169 -3,-1.2 2,-0.3 1,-0.2 -2,-0.1 0.943 51.5 129.1 45.3 56.9 39.6 15.3 20.5 17 18 A S - 0 0 40 2,-0.1 -1,-0.2 1,-0.1 4,-0.1 -0.975 67.2-145.3-139.2 146.3 41.6 13.2 18.1 18 19 A D S S+ 0 0 138 -2,-0.3 -1,-0.1 -3,-0.1 -2,-0.1 0.800 85.5 90.7 -75.0 -29.6 41.2 9.9 16.3 19 20 A L S S- 0 0 72 1,-0.1 -2,-0.1 -3,-0.1 2,-0.1 -0.471 94.8-108.1 -65.3 126.0 45.0 9.4 16.8 20 21 A P > - 0 0 9 0, 0.0 3,-2.4 0, 0.0 4,-0.3 -0.431 33.1-115.0 -54.9 138.0 45.7 7.6 20.1 21 22 A K G > S+ 0 0 38 1,-0.3 3,-2.0 -11,-0.2 10,-0.3 0.782 109.6 55.2 -50.8 -49.9 47.2 10.1 22.6 22 23 A V G 3 S+ 0 0 9 1,-0.3 10,-2.7 9,-0.1 11,-0.3 0.644 100.3 61.2 -64.0 -15.4 50.6 8.7 23.0 23 24 A L G < S+ 0 0 13 -3,-2.4 -1,-0.3 7,-0.2 -2,-0.2 0.534 74.9 115.1 -89.5 -4.8 51.3 8.9 19.3 24 25 A H S < S- 0 0 17 -3,-2.0 7,-2.3 -4,-0.3 8,-0.2 -0.421 71.5-113.7 -63.2 136.3 50.8 12.7 19.2 25 26 A K E -I 30 0B 138 5,-0.2 2,-0.4 6,-0.1 5,-0.3 -0.519 30.6-175.8 -82.8 148.1 54.2 14.2 18.3 26 27 A V E > S-I 29 0B 0 3,-3.4 3,-1.5 -2,-0.2 235,-0.2 -0.978 80.4 -15.4-134.9 123.1 56.7 16.4 20.2 27 28 A A T 3 S- 0 0 6 -2,-0.4 234,-2.7 1,-0.2 235,-0.3 0.834 133.5 -45.2 47.9 35.8 59.8 17.7 18.4 28 29 A G T 3 S+ 0 0 29 232,-0.2 2,-0.3 1,-0.2 -1,-0.2 0.346 125.1 69.5 102.6 -7.7 59.3 15.3 15.5 29 30 A I E < S-I 26 0B 16 -3,-1.5 -3,-3.4 -5,-0.1 -1,-0.2 -0.927 85.7 -87.2-136.3 164.3 58.5 11.9 17.3 30 31 A S E > -I 25 0B 1 -2,-0.3 4,-1.7 -5,-0.3 3,-0.4 -0.289 31.5-119.2 -68.7 152.2 55.6 10.5 19.4 31 32 A M H >> S+ 0 0 0 -7,-2.3 4,-2.4 -10,-0.3 3,-0.5 0.951 118.1 57.1 -46.6 -50.3 55.3 11.0 23.1 32 33 A L H 3> S+ 0 0 0 -10,-2.7 4,-2.3 1,-0.3 -1,-0.2 0.879 104.4 52.4 -56.7 -36.6 55.5 7.3 23.5 33 34 A E H 3> S+ 0 0 44 -3,-0.4 4,-2.1 -11,-0.3 -1,-0.3 0.861 105.5 53.0 -68.5 -36.2 58.8 7.4 21.7 34 35 A H H < S+ 0 0 13 -4,-2.0 3,-1.5 1,-0.2 4,-0.3 0.928 109.9 55.5 -68.9 -39.5 64.2 7.6 28.5 39 40 A V H >< S+ 0 0 1 -4,-2.9 3,-1.9 1,-0.3 -2,-0.2 0.889 96.6 67.3 -57.9 -37.2 63.3 4.1 29.5 40 41 A G H >< S+ 0 0 39 -4,-2.1 3,-1.8 1,-0.3 -1,-0.3 0.774 84.0 72.8 -56.5 -27.8 66.4 2.9 27.5 41 42 A A T << S+ 0 0 30 -3,-1.5 -1,-0.3 -4,-0.6 -2,-0.2 0.707 91.9 55.1 -59.4 -20.9 68.7 4.6 30.0 42 43 A I T < S- 0 0 5 -3,-1.9 -1,-0.3 -4,-0.3 -40,-0.2 0.384 105.6-130.8 -91.2 2.0 68.0 1.9 32.7 43 44 A Q < - 0 0 162 -3,-1.8 -41,-0.4 -4,-0.2 -3,-0.1 0.955 30.2-155.6 47.7 65.3 69.1 -0.8 30.2 44 45 A P - 0 0 31 0, 0.0 -41,-0.2 0, 0.0 -1,-0.1 -0.461 21.3-147.6 -71.8 146.7 66.0 -2.9 30.7 45 46 A E S S+ 0 0 133 -43,-3.0 2,-0.3 1,-0.3 -42,-0.2 0.801 90.1 19.2 -75.9 -30.8 66.2 -6.6 30.0 46 47 A K E -b 3 0A 69 -44,-0.7 -42,-2.2 2,-0.0 2,-0.4 -0.994 62.0-168.8-140.6 141.8 62.5 -6.5 29.0 47 48 A T E -b 4 0A 14 -2,-0.3 20,-2.6 -44,-0.2 2,-0.5 -0.997 10.3-172.4-127.0 122.0 60.3 -3.6 28.0 48 49 A V E -bc 5 67A 0 -44,-2.3 -42,-3.2 -2,-0.4 2,-0.5 -0.988 7.2-158.6-117.9 126.0 56.6 -4.4 27.8 49 50 A T E -bc 6 68A 0 18,-3.2 20,-1.6 -2,-0.5 2,-0.7 -0.924 11.4-140.9-104.8 128.2 54.3 -1.9 26.4 50 51 A V E -bc 7 69A 0 -44,-3.2 -42,-2.1 -2,-0.5 2,-0.2 -0.807 24.8-174.5 -89.9 112.5 50.6 -2.1 27.3 51 52 A V E +bc 8 70A 0 18,-3.0 20,-2.7 -2,-0.7 -42,-0.3 -0.638 20.2 147.1-104.7 159.3 48.4 -1.3 24.3 52 53 A G > + 0 0 22 -44,-0.6 3,-0.9 1,-0.5 2,-0.3 0.175 56.4 50.4-149.4 -85.0 44.6 -0.9 24.2 53 54 A H T 3 S- 0 0 58 1,-0.3 -1,-0.5 -43,-0.2 -43,-0.2 -0.565 129.2 -7.6 -73.6 127.4 42.9 1.6 21.9 54 55 A K T >> S+ 0 0 79 -2,-0.3 4,-1.5 -3,-0.1 3,-0.9 0.900 80.6 177.4 49.3 48.5 44.1 1.4 18.3 55 56 A A H <> + 0 0 11 -3,-0.9 4,-3.0 1,-0.2 5,-0.2 0.833 67.8 59.5 -50.7 -40.0 46.8 -1.0 19.3 56 57 A E H 3> S+ 0 0 122 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.857 101.7 51.7 -69.6 -32.7 48.1 -1.6 15.7 57 58 A L H <> S+ 0 0 73 -3,-0.9 4,-2.0 2,-0.2 -1,-0.2 0.959 114.1 45.8 -62.4 -45.4 49.1 2.1 15.1 58 59 A V H X S+ 0 0 0 -4,-1.5 4,-1.9 1,-0.2 5,-0.2 0.940 110.5 53.4 -62.3 -44.1 50.9 2.0 18.4 59 60 A E H X S+ 0 0 68 -4,-3.0 4,-1.6 1,-0.2 -1,-0.2 0.836 104.5 55.7 -64.3 -32.2 52.5 -1.4 17.4 60 61 A E H < S+ 0 0 143 -4,-2.3 3,-0.4 2,-0.2 -1,-0.2 0.972 106.3 51.6 -61.0 -50.7 53.8 0.1 14.1 61 62 A V H < S+ 0 0 47 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.893 121.4 29.7 -56.4 -43.3 55.6 2.9 16.0 62 63 A L H >X S+ 0 0 0 -4,-1.9 3,-2.7 2,-0.0 4,-0.6 0.523 83.2 152.9 -98.4 -1.4 57.5 0.6 18.4 63 64 A A T 3< S+ 0 0 42 -4,-1.6 4,-0.1 -3,-0.4 -3,-0.1 0.087 75.8 4.2 -25.9 120.9 57.7 -2.5 16.1 64 65 A E T 34 S+ 0 0 207 2,-0.3 -1,-0.3 1,-0.1 3,-0.1 0.500 116.9 81.3 72.9 11.7 60.8 -4.5 17.1 65 66 A Q T <4 S+ 0 0 87 -3,-2.7 2,-0.3 1,-0.3 -2,-0.2 0.647 97.3 15.8-113.0 -20.7 61.7 -2.3 20.1 66 67 A T S < S- 0 0 18 -4,-0.6 -1,-0.3 -7,-0.1 -2,-0.3 -0.982 73.1-110.0-152.9 149.8 59.3 -3.6 22.8 67 68 A E E -c 48 0A 75 -20,-2.6 -18,-3.2 -2,-0.3 2,-0.3 -0.576 40.2-142.5 -79.6 150.8 57.0 -6.7 23.6 68 69 A F E +c 49 0A 51 -20,-0.2 2,-0.3 -2,-0.2 -18,-0.2 -0.876 21.4 179.4-117.0 147.7 53.4 -5.8 23.5 69 70 A V E -c 50 0A 21 -20,-1.6 -18,-3.0 -2,-0.3 2,-0.4 -0.956 20.9-134.6-140.2 156.8 50.4 -6.9 25.6 70 71 A T E -c 51 0A 68 -2,-0.3 2,-0.7 -20,-0.2 -18,-0.2 -0.880 7.9-157.8-119.3 133.0 46.9 -5.8 25.2 71 72 A Q - 0 0 6 -20,-2.7 9,-0.1 -2,-0.4 3,-0.0 -0.946 11.9-157.3-105.0 112.4 44.4 -4.7 27.7 72 73 A S S S+ 0 0 107 -2,-0.7 2,-0.3 1,-0.1 -1,-0.1 0.700 71.2 11.3 -63.3 -23.3 41.0 -5.3 26.0 73 74 A E S S- 0 0 118 -3,-0.1 2,-0.2 -20,-0.0 -1,-0.1 -0.995 84.6 -88.7-154.6 159.8 39.3 -2.7 28.3 74 75 A Q + 0 0 81 -2,-0.3 3,-0.1 1,-0.1 -64,-0.0 -0.414 55.5 139.3 -62.3 122.5 39.7 0.1 30.8 75 76 A L - 0 0 55 1,-0.4 118,-2.1 -2,-0.2 4,-0.5 0.122 66.9 -75.2-154.0 20.4 39.9 -1.3 34.3 76 77 A G > - 0 0 16 116,-0.2 4,-1.8 2,-0.2 -1,-0.4 -0.216 48.9 -76.2 108.3 165.8 42.7 0.7 35.9 77 78 A T H > S+ 0 0 58 2,-0.2 4,-2.4 1,-0.2 117,-0.2 0.795 127.7 61.2 -68.3 -25.9 46.4 1.0 36.0 78 79 A G H > S+ 0 0 0 115,-2.0 4,-2.3 2,-0.2 116,-0.2 0.944 105.7 43.8 -67.3 -49.2 46.4 -2.1 38.1 79 80 A H H > S+ 0 0 32 114,-0.9 4,-1.6 -4,-0.5 -1,-0.2 0.916 110.6 56.4 -61.6 -41.8 44.8 -4.2 35.4 80 81 A A H >< S+ 0 0 5 -4,-1.8 3,-0.7 1,-0.2 4,-0.2 0.948 110.0 44.5 -59.5 -46.0 47.1 -2.7 32.8 81 82 A V H >< S+ 0 0 0 -4,-2.4 3,-2.3 1,-0.2 4,-0.3 0.897 106.5 61.6 -59.3 -39.4 50.1 -3.9 34.8 82 83 A M H >< S+ 0 0 24 -4,-2.3 3,-1.4 1,-0.3 -1,-0.2 0.782 91.0 67.2 -65.1 -24.9 48.4 -7.2 35.3 83 84 A M T << S+ 0 0 59 -4,-1.6 -1,-0.3 -3,-0.7 -2,-0.2 0.627 98.2 53.5 -65.0 -12.7 48.4 -7.7 31.5 84 85 A T T X> S+ 0 0 0 -3,-2.3 4,-2.9 -4,-0.2 3,-1.6 0.529 81.3 96.9 -99.9 -6.5 52.2 -7.9 31.7 85 86 A E H <> S+ 0 0 45 -3,-1.4 4,-2.8 -4,-0.3 -1,-0.2 0.850 76.7 56.2 -53.0 -44.2 52.1 -10.6 34.3 86 87 A P H 34 S+ 0 0 100 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.783 115.4 40.2 -64.9 -22.5 52.6 -13.6 31.9 87 88 A I H <4 S+ 0 0 44 -3,-1.6 -2,-0.2 -4,-0.1 -3,-0.1 0.896 130.3 25.2 -84.1 -44.9 55.8 -11.9 30.6 88 89 A L H >< S+ 0 0 0 -4,-2.9 3,-1.5 2,-0.1 -3,-0.2 0.528 81.4 129.4-100.8 -7.1 57.2 -10.7 34.0 89 90 A E T 3< S- 0 0 102 -4,-2.8 88,-0.1 -5,-0.3 3,-0.1 -0.253 83.0 -0.1 -58.8 128.0 55.7 -13.0 36.7 90 91 A G T 3 S+ 0 0 34 1,-0.3 -1,-0.2 86,-0.2 87,-0.2 0.236 90.4 135.4 84.6 -15.3 58.3 -14.4 39.0 91 92 A L < - 0 0 64 -3,-1.5 2,-0.5 85,-0.1 -1,-0.3 -0.380 55.7-124.4 -69.0 148.6 61.4 -12.8 37.4 92 93 A S + 0 0 77 84,-0.1 2,-0.3 -3,-0.1 -1,-0.1 -0.810 64.4 70.6 -97.7 129.9 63.8 -11.3 39.9 93 94 A G S S- 0 0 7 -2,-0.5 83,-3.1 2,-0.0 2,-0.5 -0.977 81.0 -61.8 157.7-168.0 64.7 -7.6 39.4 94 95 A H E -aD 2 175A 45 -93,-2.3 -91,-2.7 -2,-0.3 2,-0.5 -0.971 42.9-155.7-121.7 123.6 63.4 -4.0 39.6 95 96 A T E -aD 3 174A 0 79,-3.4 79,-2.1 -2,-0.5 2,-0.4 -0.883 3.6-151.4-111.4 122.5 60.5 -3.0 37.4 96 97 A L E -aD 4 173A 0 -93,-2.8 -91,-3.6 -2,-0.5 2,-0.5 -0.712 7.3-162.6 -85.7 128.6 59.8 0.6 36.2 97 98 A V E +aD 5 172A 0 75,-2.8 75,-2.0 -2,-0.4 2,-0.3 -0.986 22.9 162.7-107.0 121.7 56.2 1.3 35.6 98 99 A I E -a 6 0A 1 -93,-2.4 -91,-3.1 -2,-0.5 2,-0.3 -0.985 35.3-120.1-143.7 147.2 55.8 4.5 33.5 99 100 A A E > -a 7 0A 22 -2,-0.3 3,-1.1 -93,-0.2 -91,-0.2 -0.669 16.5-133.2 -87.1 145.3 53.1 6.1 31.3 100 101 A G T 3 S+ 0 0 0 -93,-3.9 -65,-0.2 -2,-0.3 -66,-0.1 0.503 101.2 67.0 -74.7 0.8 53.6 6.7 27.6 101 102 A D T 3 S+ 0 0 32 -94,-0.3 122,-2.8 1,-0.1 -1,-0.2 0.075 77.0 79.6-107.9 22.7 52.1 10.2 28.1 102 103 A T X + 0 0 8 -3,-1.1 3,-1.1 120,-0.2 -1,-0.1 -0.642 53.9 165.0-119.9 73.1 54.9 11.7 30.3 103 104 A P T 3 + 0 0 0 0, 0.0 -1,-0.1 0, 0.0 119,-0.1 0.500 62.5 63.6 -76.5 0.4 57.3 12.5 27.4 104 105 A L T 3 + 0 0 0 117,-0.4 2,-0.1 115,-0.3 116,-0.1 0.569 67.1 112.3-103.4 -9.6 59.6 14.9 29.4 105 106 A I < - 0 0 2 -3,-1.1 2,-0.3 116,-0.2 -67,-0.1 -0.412 65.8-133.7 -57.8 130.9 60.9 12.5 32.1 106 107 A T > - 0 0 26 -2,-0.1 4,-1.9 1,-0.1 5,-0.2 -0.644 13.2-123.2 -92.2 152.8 64.6 12.1 31.3 107 108 A G H > S+ 0 0 16 -2,-0.3 4,-2.5 2,-0.2 5,-0.2 0.850 115.5 56.1 -46.7 -38.7 66.8 9.1 31.1 108 109 A E H > S+ 0 0 120 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.960 106.2 49.2 -71.3 -43.7 69.0 10.7 33.7 109 110 A S H > S+ 0 0 9 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.856 110.4 50.8 -56.7 -37.3 66.0 11.0 36.1 110 111 A L H X S+ 0 0 0 -4,-1.9 4,-2.7 2,-0.2 5,-0.2 0.938 109.9 49.3 -72.0 -43.8 65.0 7.4 35.6 111 112 A K H X S+ 0 0 93 -4,-2.5 4,-2.5 1,-0.2 5,-0.2 0.934 111.0 50.8 -53.9 -45.9 68.6 6.1 36.3 112 113 A N H X S+ 0 0 42 -4,-2.6 4,-2.5 -5,-0.2 -1,-0.2 0.893 110.6 50.0 -63.7 -36.2 68.6 8.3 39.4 113 114 A L H X S+ 0 0 0 -4,-1.9 4,-2.1 2,-0.2 -2,-0.2 0.908 112.0 45.5 -65.4 -45.2 65.2 6.7 40.4 114 115 A I H X S+ 0 0 6 -4,-2.7 4,-2.3 2,-0.2 5,-0.3 0.913 113.5 51.5 -66.0 -42.0 66.4 3.1 39.9 115 116 A D H X S+ 0 0 86 -4,-2.5 4,-2.5 -5,-0.2 5,-0.2 0.942 110.0 47.9 -59.3 -49.3 69.7 3.9 41.8 116 117 A F H X S+ 0 0 52 -4,-2.5 4,-1.8 -5,-0.2 6,-0.2 0.928 112.0 51.8 -55.7 -45.8 67.8 5.4 44.7 117 118 A H H <>S+ 0 0 3 -4,-2.1 5,-2.0 2,-0.2 4,-0.3 0.893 114.4 40.4 -56.0 -50.2 65.5 2.3 44.8 118 119 A I H ><5S+ 0 0 72 -4,-2.3 3,-1.1 1,-0.2 -2,-0.2 0.925 115.3 51.1 -65.7 -52.3 68.3 -0.2 44.8 119 120 A N H 3<5S+ 0 0 123 -4,-2.5 -2,-0.2 -5,-0.3 -1,-0.2 0.786 114.8 41.5 -58.8 -30.5 70.5 1.7 47.3 120 121 A H T 3<5S- 0 0 90 -4,-1.8 -1,-0.2 -5,-0.2 -2,-0.2 0.420 104.7-127.4-101.1 4.4 67.7 2.2 49.9 121 122 A K T < 5 + 0 0 173 -3,-1.1 87,-0.3 -4,-0.3 -3,-0.2 0.863 46.0 171.9 50.1 44.4 66.4 -1.4 49.5 122 123 A N < - 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