==== 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 04-DEC-00 1HM0 . COMPND 2 MOLECULE: N-ACETYLGLUCOSAMINE 1-PHOSPHATE URIDYLTRANSFERASE . SOURCE 2 ORGANISM_SCIENTIFIC: STREPTOCOCCUS PNEUMONIAE; . AUTHOR G.SULZENBACHER,L.GAL,C.PENEFF,F.FASSY,Y.BOURNE . 880 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 42160.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 685 77.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 229 26.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 48 5.5 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 . 2 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 2 0.2 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 . 95 10.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 105 11.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 137 15.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 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 2 0 2 0 2 2 0 0 4 0 0 0 0 0 0 0 2 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 38 12 2 4 2 1 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 . 4 4 0 2 0 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 ANTIPARALLEL BRIDGES PER LADDER . 2 0 0 0 0 0 0 2 3 1 0 0 0 0 0 0 0 1 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 77 0, 0.0 93,-2.2 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 -34.9 24.3 19.0 -34.3 2 3 A N E -a 94 0A 30 41,-0.3 43,-2.8 91,-0.2 44,-0.8 -0.964 360.0-179.3-117.0 134.5 23.3 22.5 -33.0 3 4 A F E -ab 95 46A 11 91,-3.5 93,-3.4 -2,-0.4 2,-0.4 -0.937 9.8-153.6-128.1 153.6 25.8 24.8 -31.3 4 5 A A E -ab 96 47A 0 42,-2.2 44,-2.3 -2,-0.3 2,-0.5 -0.987 7.9-168.3-135.7 135.7 25.3 28.3 -29.8 5 6 A I E -ab 97 48A 0 91,-3.8 93,-3.1 -2,-0.4 2,-0.7 -0.975 9.8-160.9-121.2 119.5 27.6 31.2 -29.3 6 7 A I E -ab 98 49A 0 42,-2.9 44,-2.2 -2,-0.5 2,-0.8 -0.876 9.4-147.3-104.9 113.6 26.4 34.1 -27.1 7 8 A L E +ab 99 50A 30 91,-2.8 93,-3.2 -2,-0.7 94,-0.3 -0.676 35.3 151.4 -79.9 110.0 28.3 37.5 -27.5 8 9 A A + 0 0 7 42,-2.5 2,-0.5 -2,-0.8 44,-0.5 -0.140 16.6 135.1-133.3 38.9 28.3 39.2 -24.1 9 10 A A - 0 0 29 42,-0.3 42,-0.1 1,-0.2 41,-0.0 -0.816 55.7-113.6 -95.7 125.5 31.4 41.3 -23.9 10 11 A G + 0 0 20 -2,-0.5 -1,-0.2 43,-0.3 3,-0.1 0.739 64.3 125.9 -20.3-132.6 31.0 44.9 -22.5 11 12 A K + 0 0 141 1,-0.1 2,-1.7 2,-0.0 3,-0.2 0.447 36.8 131.9 76.6 3.3 31.4 48.0 -24.7 12 13 A G > + 0 0 22 1,-0.2 3,-1.0 2,-0.1 5,-0.4 -0.471 15.7 152.6 -87.6 70.2 28.0 49.3 -23.8 13 14 A T G > + 0 0 113 -2,-1.7 3,-0.8 1,-0.2 -1,-0.2 0.652 61.8 68.8 -73.4 -18.3 29.0 52.9 -22.9 14 15 A R G 3 S+ 0 0 184 207,-0.3 209,-0.5 1,-0.2 -1,-0.2 0.663 88.7 68.4 -75.5 -12.8 25.6 54.5 -23.8 15 16 A M G < S- 0 0 2 -3,-1.0 -1,-0.2 207,-0.2 -2,-0.2 0.748 91.2-147.4 -75.1 -24.9 24.2 52.6 -20.7 16 17 A K < + 0 0 175 -3,-0.8 2,-0.3 -4,-0.3 -3,-0.1 0.945 54.5 124.3 56.5 50.0 26.2 54.9 -18.3 17 18 A S - 0 0 43 -5,-0.4 -1,-0.2 2,-0.1 4,-0.1 -0.954 65.6-143.5-139.2 154.3 26.5 52.0 -15.9 18 19 A D S S+ 0 0 147 -2,-0.3 -1,-0.1 -3,-0.1 -2,-0.0 0.490 80.3 93.0 -94.9 -4.0 29.3 50.1 -14.2 19 20 A L S S- 0 0 65 1,-0.1 -2,-0.1 2,-0.1 5,-0.1 -0.661 95.8 -96.1 -88.2 139.0 27.4 46.8 -14.5 20 21 A P > - 0 0 13 0, 0.0 3,-2.6 0, 0.0 4,-0.3 -0.347 40.4-119.0 -53.9 132.8 28.1 44.7 -17.6 21 22 A K G > S+ 0 0 25 1,-0.3 3,-1.9 2,-0.2 10,-0.2 0.839 109.0 56.7 -41.4 -50.1 25.4 45.6 -20.1 22 23 A V G 3 S+ 0 0 9 1,-0.3 10,-2.1 -14,-0.1 9,-0.5 0.539 95.2 68.3 -67.3 -5.4 23.8 42.2 -20.4 23 24 A L G < S+ 0 0 18 -3,-2.6 -1,-0.3 7,-0.2 -2,-0.2 0.575 70.5 111.2 -90.2 -8.5 23.2 42.0 -16.6 24 25 A H S < S- 0 0 20 -3,-1.9 7,-1.6 -4,-0.3 8,-0.2 -0.441 72.0-117.7 -65.7 135.6 20.6 44.8 -16.7 25 26 A K E -I 30 0B 123 5,-0.2 2,-0.4 -2,-0.1 5,-0.3 -0.423 27.1-172.0 -81.9 152.0 17.2 43.2 -15.9 26 27 A V E > S-I 29 0B 0 3,-2.7 3,-1.5 -2,-0.1 232,-0.2 -0.964 79.3 -18.2-140.7 119.2 14.1 43.0 -17.9 27 28 A A T 3 S- 0 0 4 -2,-0.4 231,-2.6 1,-0.3 232,-0.2 0.853 133.8 -40.6 48.9 47.0 10.9 41.7 -16.2 28 29 A G T 3 S+ 0 0 30 229,-0.2 2,-0.3 230,-0.1 -1,-0.3 0.103 125.3 63.0 97.6 -23.4 12.9 40.1 -13.3 29 30 A I E < S-I 26 0B 14 -3,-1.5 -3,-2.7 1,-0.1 -1,-0.1 -0.931 86.2 -87.7-135.1 160.1 16.0 38.5 -15.0 30 31 A S E > -I 25 0B 1 -2,-0.3 4,-1.6 -5,-0.3 -5,-0.2 -0.092 35.3-114.3 -61.8 158.6 19.0 39.8 -16.9 31 32 A M H > S+ 0 0 0 -7,-1.6 4,-2.0 -9,-0.5 -8,-0.2 0.902 117.9 59.7 -60.7 -37.5 18.9 40.2 -20.7 32 33 A L H > S+ 0 0 0 -10,-2.1 4,-2.4 1,-0.2 -1,-0.2 0.913 103.0 50.2 -57.3 -45.6 21.5 37.5 -20.9 33 34 A E H > S+ 0 0 50 -11,-0.3 4,-2.0 1,-0.2 -1,-0.2 0.846 106.6 53.9 -64.8 -35.2 19.2 35.0 -19.2 34 35 A H H X S+ 0 0 8 -4,-1.6 4,-1.8 2,-0.2 -1,-0.2 0.915 110.6 48.7 -63.2 -41.3 16.3 35.8 -21.6 35 36 A V H X S+ 0 0 2 -4,-2.0 4,-2.7 65,-0.2 -2,-0.2 0.916 108.8 52.1 -64.3 -41.0 18.8 35.0 -24.4 36 37 A F H X S+ 0 0 41 -4,-2.4 4,-2.2 1,-0.2 -1,-0.2 0.894 109.3 51.5 -61.1 -39.3 19.8 31.7 -22.7 37 38 A R H X S+ 0 0 115 -4,-2.0 4,-0.6 2,-0.2 -1,-0.2 0.881 111.5 45.0 -68.4 -35.9 16.2 30.7 -22.5 38 39 A S H >< S+ 0 0 13 -4,-1.8 3,-1.0 1,-0.2 4,-0.3 0.907 111.8 53.8 -71.4 -39.9 15.5 31.4 -26.1 39 40 A V H >< S+ 0 0 3 -4,-2.7 3,-2.2 1,-0.3 4,-0.3 0.873 95.6 66.6 -62.3 -37.2 18.7 29.6 -27.1 40 41 A G H >< S+ 0 0 40 -4,-2.2 3,-2.4 1,-0.3 -1,-0.3 0.819 86.2 73.9 -54.3 -28.4 17.6 26.5 -25.2 41 42 A A T << S+ 0 0 30 -3,-1.0 -1,-0.3 -4,-0.6 -2,-0.2 0.709 93.2 51.2 -60.6 -22.5 14.8 26.1 -27.8 42 43 A I T < S- 0 0 8 -3,-2.2 -1,-0.3 -4,-0.3 -2,-0.2 0.452 105.8-133.3 -91.6 -1.5 17.3 25.0 -30.4 43 44 A Q < - 0 0 158 -3,-2.4 -41,-0.3 -4,-0.3 2,-0.2 0.945 26.4-154.2 49.9 58.4 18.6 22.4 -27.9 44 45 A P - 0 0 26 0, 0.0 -41,-0.2 0, 0.0 -1,-0.2 -0.440 16.6-143.7 -68.6 131.4 22.3 23.2 -28.6 45 46 A E S S+ 0 0 131 -43,-2.8 2,-0.3 -2,-0.2 -42,-0.2 0.850 90.1 15.7 -59.0 -36.2 24.7 20.4 -27.9 46 47 A K E -b 3 0A 72 -44,-0.8 -42,-2.2 2,-0.0 2,-0.4 -0.995 67.3-165.2-141.4 145.5 27.1 23.0 -26.6 47 48 A T E -b 4 0A 24 -2,-0.3 20,-2.3 -44,-0.2 2,-0.4 -0.997 5.4-173.6-133.0 134.3 26.8 26.7 -25.6 48 49 A V E -bc 5 67A 0 -44,-2.3 -42,-2.9 -2,-0.4 2,-0.5 -0.995 7.8-159.4-132.9 129.9 29.6 29.2 -25.2 49 50 A T E -bc 6 68A 0 18,-2.9 20,-1.8 -2,-0.4 2,-0.7 -0.929 10.7-147.3-110.7 119.8 29.3 32.8 -23.8 50 51 A V E +bc 7 69A 0 -44,-2.2 -42,-2.5 -2,-0.5 20,-0.2 -0.776 27.1 176.3 -88.2 117.8 32.0 35.2 -24.7 51 52 A V E + c 0 70A 0 18,-2.5 20,-1.3 -2,-0.7 -42,-0.3 -0.556 10.7 167.0-110.3 178.2 32.4 37.7 -21.7 52 53 A G > + 0 0 10 -44,-0.5 3,-1.5 1,-0.5 4,-0.2 -0.072 51.7 39.3-150.6-104.6 34.8 40.5 -21.1 53 54 A H T 3 S+ 0 0 95 1,-0.3 -1,-0.5 2,-0.1 -43,-0.3 -0.415 129.3 8.5 -65.7 135.3 34.9 43.3 -18.6 54 55 A K T >> S+ 0 0 103 -2,-0.1 4,-1.5 -3,-0.1 3,-0.6 0.829 86.6 166.7 60.4 31.4 33.7 42.2 -15.1 55 56 A A H <> + 0 0 9 -3,-1.5 4,-1.3 1,-0.3 3,-0.3 0.864 68.0 49.7 -43.2 -53.2 33.8 38.7 -16.6 56 57 A E H 3> S+ 0 0 121 1,-0.2 4,-4.2 2,-0.2 -1,-0.3 0.880 103.4 61.8 -58.4 -39.5 33.5 36.9 -13.3 57 58 A L H <4 S+ 0 0 47 -3,-0.6 -1,-0.2 1,-0.3 -2,-0.2 0.917 103.9 47.5 -52.6 -47.5 30.5 39.1 -12.3 58 59 A V H < S+ 0 0 2 -4,-1.5 3,-0.4 -3,-0.3 4,-0.4 0.819 119.2 41.7 -65.4 -28.0 28.6 37.7 -15.3 59 60 A E H < S+ 0 0 61 -4,-1.3 4,-0.3 -5,-0.2 -2,-0.3 0.813 96.9 77.8 -85.8 -32.3 29.7 34.3 -14.2 60 61 A E S < S+ 0 0 150 -4,-4.2 -1,-0.2 -5,-0.2 -2,-0.2 0.315 116.2 9.3 -63.4 11.7 29.1 35.0 -10.5 61 62 A V S S+ 0 0 102 -3,-0.4 2,-2.8 -5,-0.2 -2,-0.1 0.128 127.1 43.9-148.0 -84.9 25.4 34.5 -11.0 62 63 A L S S+ 0 0 20 -4,-0.4 -2,-0.1 -5,-0.2 -4,-0.0 -0.274 89.5 116.7 -73.0 57.8 24.1 33.1 -14.3 63 64 A A + 0 0 41 -2,-2.8 2,-1.2 -4,-0.3 -3,-0.1 0.273 34.4 66.1 -97.6-139.7 26.8 30.4 -14.5 64 65 A G S S+ 0 0 72 1,-0.2 2,-2.4 -5,-0.1 -2,-0.1 -0.385 91.5 59.4 63.0 -92.5 26.5 26.6 -14.5 65 66 A Q S S+ 0 0 185 -2,-1.2 2,-0.2 2,-0.0 -1,-0.2 -0.374 103.4 47.3 -74.2 69.1 24.7 25.7 -17.7 66 67 A T S S- 0 0 23 -2,-2.4 2,-0.4 2,-0.0 -18,-0.2 -0.733 77.8-112.3 165.2 145.0 27.1 27.2 -20.2 67 68 A E E -c 48 0A 68 -20,-2.3 -18,-2.9 -2,-0.2 2,-0.3 -0.769 33.2-151.3 -93.5 135.6 30.8 27.4 -21.0 68 69 A F E -c 49 0A 43 -2,-0.4 2,-0.3 -20,-0.2 -18,-0.2 -0.785 13.6-175.3-108.4 153.0 32.5 30.8 -20.6 69 70 A V E -c 50 0A 23 -20,-1.8 -18,-2.5 -2,-0.3 2,-0.3 -0.986 16.5-139.6-144.9 134.2 35.5 32.4 -22.4 70 71 A T E -c 51 0A 75 -2,-0.3 2,-0.5 -20,-0.2 -18,-0.2 -0.732 7.2-161.8-100.3 144.2 37.1 35.7 -21.7 71 72 A Q - 0 0 10 -20,-1.3 -16,-0.1 -2,-0.3 9,-0.0 -0.958 5.9-176.5-124.4 110.4 38.4 38.3 -24.1 72 73 A S S S+ 0 0 118 -2,-0.5 2,-0.4 1,-0.1 -1,-0.1 0.593 75.2 53.4 -79.0 -12.0 40.8 40.8 -22.5 73 74 A E S S- 0 0 113 -3,-0.1 2,-1.0 6,-0.0 -1,-0.1 -0.989 76.9-140.7-128.9 131.0 41.0 42.7 -25.7 74 75 A Q + 0 0 83 -2,-0.4 3,-0.1 1,-0.1 115,-0.1 -0.770 38.8 148.1 -96.5 100.5 38.1 44.1 -27.7 75 76 A L > - 0 0 47 -2,-1.0 115,-1.6 1,-0.4 4,-0.5 -0.136 62.6 -83.9-120.0 34.7 38.7 43.6 -31.4 76 77 A G H > - 0 0 16 113,-0.2 4,-2.4 1,-0.2 -1,-0.4 -0.056 54.6 -59.1 92.5 169.4 35.2 43.2 -32.7 77 78 A T H > S+ 0 0 53 1,-0.2 4,-2.4 2,-0.2 114,-0.2 0.790 128.9 57.6 -60.4 -32.6 32.6 40.4 -33.1 78 79 A G H > S+ 0 0 0 112,-1.9 4,-1.5 2,-0.2 -1,-0.2 0.946 110.1 43.8 -64.0 -47.6 34.9 38.4 -35.3 79 80 A H H X S+ 0 0 29 111,-1.0 4,-1.2 -4,-0.5 -2,-0.2 0.920 111.0 55.6 -61.5 -46.1 37.5 38.3 -32.6 80 81 A A H >< S+ 0 0 7 -4,-2.4 3,-0.8 1,-0.3 4,-0.3 0.932 111.4 42.1 -55.4 -50.0 34.9 37.5 -30.0 81 82 A V H >< S+ 0 0 0 -4,-2.4 3,-1.3 1,-0.2 -1,-0.3 0.771 106.7 64.2 -69.2 -23.9 33.6 34.5 -31.8 82 83 A M H >< S+ 0 0 18 -4,-1.5 3,-1.5 1,-0.3 -1,-0.2 0.795 90.6 67.0 -68.8 -24.0 37.2 33.5 -32.5 83 84 A M T << S+ 0 0 52 -4,-1.2 -1,-0.3 -3,-0.8 -2,-0.2 0.662 93.7 57.7 -69.6 -15.6 37.6 33.1 -28.8 84 85 A T T X> S+ 0 0 0 -3,-1.3 4,-1.8 -4,-0.3 3,-1.4 0.379 78.1 98.9 -93.3 2.6 35.3 30.1 -28.8 85 86 A E H <> S+ 0 0 60 -3,-1.5 4,-2.3 1,-0.3 3,-0.2 0.925 70.0 64.5 -53.0 -51.5 37.6 28.4 -31.4 86 87 A P H 34 S+ 0 0 107 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.713 115.8 31.4 -48.0 -20.4 39.3 26.2 -28.7 87 88 A I H <4 S+ 0 0 50 -3,-1.4 -2,-0.2 -4,-0.1 4,-0.1 0.705 126.3 33.9-113.0 -27.3 35.9 24.6 -28.1 88 89 A L H >< S+ 0 0 0 -4,-1.8 3,-0.7 -3,-0.2 -3,-0.2 0.510 80.9 123.6-109.3 -5.9 34.0 24.5 -31.4 89 90 A E T 3< S+ 0 0 106 -4,-2.3 83,-0.1 -5,-0.3 3,-0.1 -0.353 82.8 5.5 -60.7 122.2 36.8 24.1 -33.9 90 91 A G T 3 S+ 0 0 44 1,-0.3 -1,-0.2 81,-0.2 82,-0.1 -0.107 93.1 124.9 97.8 -37.6 36.3 21.0 -36.0 91 92 A L < - 0 0 72 -3,-0.7 -1,-0.3 80,-0.1 2,-0.3 -0.188 53.8-133.6 -57.5 148.5 32.8 19.9 -34.9 92 93 A S + 0 0 83 79,-0.1 2,-0.4 -3,-0.1 -1,-0.1 -0.736 57.9 58.3-104.9 154.4 30.2 19.5 -37.6 93 94 A G S S- 0 0 13 -2,-0.3 78,-0.6 2,-0.0 2,-0.4 -0.992 86.6 -35.9 140.2-138.2 26.6 20.9 -37.5 94 95 A H E -aD 2 170A 37 -93,-2.2 -91,-3.5 -2,-0.4 2,-0.5 -0.997 43.7-158.6-136.0 132.4 25.0 24.3 -37.1 95 96 A T E -aD 3 169A 0 74,-2.6 74,-2.2 -2,-0.4 2,-0.4 -0.943 3.9-155.0-120.2 120.3 26.2 27.2 -35.0 96 97 A L E -aD 4 168A 3 -93,-3.4 -91,-3.8 -2,-0.5 2,-0.6 -0.758 6.7-163.7 -90.1 128.6 24.0 30.0 -33.8 97 98 A V E +aD 5 167A 2 70,-3.3 70,-2.6 -2,-0.4 2,-0.3 -0.970 21.7 164.2-115.0 117.1 25.8 33.3 -33.1 98 99 A I E -a 6 0A 1 -93,-3.1 -91,-2.8 -2,-0.6 2,-0.2 -0.989 34.4-119.6-138.9 145.1 23.7 35.7 -31.0 99 100 A A E > -a 7 0A 24 -2,-0.3 3,-1.1 -93,-0.2 -91,-0.2 -0.530 18.1-132.5 -81.9 145.8 24.2 38.8 -28.8 100 101 A G T 3 S+ 0 0 0 -93,-3.2 -65,-0.2 1,-0.2 -66,-0.1 0.451 101.3 67.1 -76.2 5.0 23.4 38.9 -25.2 101 102 A D T 3 S+ 0 0 25 -94,-0.3 119,-2.8 1,-0.2 -1,-0.2 0.124 75.6 81.4-112.6 18.9 21.6 42.2 -25.7 102 103 A T X + 0 0 7 -3,-1.1 3,-1.0 117,-0.2 -1,-0.2 -0.604 50.1 159.8-119.6 68.7 18.7 41.0 -27.9 103 104 A P T 3 + 0 0 1 0, 0.0 -1,-0.1 0, 0.0 116,-0.1 0.541 62.0 65.6 -68.6 -8.8 16.4 39.7 -25.1 104 105 A L T 3 S+ 0 0 0 114,-0.5 113,-0.1 112,-0.2 112,-0.1 0.673 70.1 107.8 -91.6 -14.2 13.2 39.9 -27.1 105 106 A I < - 0 0 1 -3,-1.0 2,-0.2 113,-0.2 -67,-0.1 -0.396 64.8-138.0 -62.6 136.0 14.0 37.2 -29.7 106 107 A T > - 0 0 34 1,-0.1 4,-1.9 -2,-0.1 3,-0.4 -0.550 16.9-119.2 -97.2 161.2 11.9 34.1 -29.0 107 108 A G H > S+ 0 0 14 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.887 115.1 59.9 -61.5 -37.3 12.8 30.4 -29.0 108 109 A E H > S+ 0 0 134 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.848 106.4 46.2 -60.6 -33.9 10.2 29.9 -31.7 109 110 A S H > S+ 0 0 2 -3,-0.4 4,-1.9 2,-0.2 -1,-0.2 0.869 109.1 53.0 -78.2 -36.1 12.1 32.3 -34.0 110 111 A L H >X S+ 0 0 0 -4,-1.9 4,-2.1 2,-0.2 3,-0.6 0.987 111.7 48.3 -59.3 -52.6 15.5 30.8 -33.4 111 112 A K H 3X S+ 0 0 104 -4,-2.7 4,-2.4 1,-0.3 5,-0.2 0.911 110.0 49.4 -52.7 -49.2 13.9 27.5 -34.3 112 113 A N H 3X S+ 0 0 49 -4,-2.1 4,-2.0 1,-0.2 -1,-0.3 0.838 108.8 57.4 -61.1 -27.7 12.4 28.9 -37.5 113 114 A L H <>S+ 0 0 1 -4,-2.0 5,-1.2 1,-0.2 3,-0.9 0.937 115.7 35.5 -51.7 -55.8 19.0 27.3 -42.6 118 119 A I H ><5S+ 0 0 80 -4,-2.5 3,-2.2 1,-0.2 -2,-0.2 0.918 108.1 65.0 -67.0 -44.7 18.8 23.6 -43.2 119 120 A N H 3<5S+ 0 0 119 -4,-3.5 -1,-0.2 -5,-0.3 -2,-0.2 0.540 115.0 33.5 -57.0 -6.5 15.8 23.8 -45.6 120 121 A H T <<5S- 0 0 83 -3,-0.9 -1,-0.3 -4,-0.5 -2,-0.2 0.278 100.8-129.8-131.0 6.5 18.1 25.7 -48.0 121 122 A K T < 5 + 0 0 176 -3,-2.2 -3,-0.2 -4,-0.1 84,-0.2 0.664 47.1 173.0 51.8 17.3 21.4 24.0 -47.2 122 123 A N < - 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