==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 14-SEP-04 1XFG . COMPND 2 MOLECULE: GLUCOSAMINE--FRUCTOSE-6-PHOSPHATE . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR M.N.ISUPOV,A.TEPLYAKOV . 479 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 18452.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 326 68.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 4 0.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 144 30.1 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 . 4 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 6 1.3 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 . 31 6.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 49 10.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 90 18.8 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+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 0 0 0 0 3 1 1 3 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 PARALLEL BRIDGES PER LADDER . 0 3 5 8 1 3 6 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 . 0 0 0 0 0 0 4 0 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 1 A C 0 0 25 0, 0.0 2,-0.4 0, 0.0 72,-0.2 0.000 360.0 360.0 360.0 -56.5 10.1 30.2 21.8 2 2 A G E -A 72 0A 0 70,-1.9 70,-2.0 95,-0.1 2,-0.4 -0.978 360.0-173.8-114.4 137.4 9.2 31.5 18.3 3 3 A I E +A 71 0A 0 -2,-0.4 188,-2.1 68,-0.2 189,-0.5 -0.981 6.6 172.2-123.1 135.8 6.7 34.3 17.6 4 4 A V E +AB 70 190A 0 66,-2.1 66,-2.5 -2,-0.4 2,-0.3 -0.991 5.1 171.5-137.1 143.4 5.5 35.4 14.2 5 5 A G E -AB 69 189A 0 184,-2.9 184,-2.2 -2,-0.4 2,-0.3 -0.974 6.6-174.0-147.0 159.2 2.8 37.9 13.5 6 6 A A E -AB 68 188A 0 62,-2.3 62,-2.2 -2,-0.3 2,-0.4 -0.992 14.8-167.5-154.5 147.6 1.4 39.6 10.4 7 7 A I E +AB 67 187A 1 180,-2.4 180,-2.3 -2,-0.3 2,-0.3 -0.946 38.7 134.8-141.0 115.2 -1.1 42.3 9.6 8 8 A A - 0 0 7 58,-3.0 178,-0.2 -2,-0.4 4,-0.1 -0.862 64.4-112.6-149.3 174.9 -1.9 42.4 5.9 9 9 A Q S S+ 0 0 77 -2,-0.3 -1,-0.1 176,-0.2 56,-0.1 0.841 98.7 66.8 -88.1 -35.7 -4.6 42.6 3.3 10 10 A R S S- 0 0 10 1,-0.1 -2,-0.2 56,-0.1 2,-0.1 -0.314 106.4 -81.5 -79.0 164.8 -3.9 39.1 2.1 11 11 A D - 0 0 45 1,-0.1 55,-0.3 55,-0.0 4,-0.2 -0.423 42.4-165.5 -63.8 138.2 -4.6 36.0 4.1 12 12 A V > + 0 0 0 53,-2.4 4,-2.7 1,-0.1 3,-0.2 0.502 59.1 98.1-108.1 -2.5 -1.6 35.5 6.4 13 13 A A H > S+ 0 0 10 52,-0.4 4,-2.6 50,-0.4 5,-0.2 0.894 86.7 48.2 -56.3 -42.6 -1.9 31.9 7.7 14 14 A E H > S+ 0 0 86 1,-0.2 4,-2.2 2,-0.2 -1,-0.3 0.871 111.3 50.7 -67.5 -37.7 0.5 30.5 5.2 15 15 A I H > S+ 0 0 9 -3,-0.2 4,-2.3 -4,-0.2 -1,-0.2 0.900 111.8 48.1 -64.5 -40.0 3.1 33.2 6.0 16 16 A L H X S+ 0 0 0 -4,-2.7 4,-2.6 2,-0.2 -2,-0.2 0.941 111.6 49.3 -65.1 -46.1 2.7 32.5 9.7 17 17 A L H X S+ 0 0 6 -4,-2.6 4,-2.4 -5,-0.2 -2,-0.2 0.900 112.2 48.3 -60.0 -41.2 3.1 28.7 9.2 18 18 A E H X S+ 0 0 50 -4,-2.2 4,-2.0 1,-0.2 -1,-0.2 0.922 109.5 52.5 -70.5 -36.0 6.2 29.2 7.1 19 19 A G H X S+ 0 0 0 -4,-2.3 4,-0.6 2,-0.2 -2,-0.2 0.929 109.3 50.2 -62.8 -39.5 7.6 31.6 9.7 20 20 A L H >X S+ 0 0 0 -4,-2.6 3,-1.8 1,-0.2 4,-0.9 0.943 106.8 54.7 -64.9 -40.6 7.1 28.9 12.3 21 21 A R H >< S+ 0 0 85 -4,-2.4 3,-0.8 1,-0.3 4,-0.3 0.890 106.0 52.4 -57.6 -38.4 8.8 26.3 10.1 22 22 A R H 3< S+ 0 0 81 -4,-2.0 -1,-0.3 1,-0.2 -2,-0.2 0.632 110.0 49.5 -72.3 -13.3 11.8 28.6 9.9 23 23 A L H X< S+ 0 0 1 -3,-1.8 3,-1.5 -4,-0.6 4,-0.3 0.448 83.6 92.2-101.1 -4.7 11.8 28.8 13.7 24 24 A E G X< + 0 0 61 -4,-0.9 3,-2.6 -3,-0.8 -2,-0.1 0.817 66.8 75.9 -61.0 -32.7 11.7 25.0 14.4 25 25 A Y G 3 S+ 0 0 156 -4,-0.3 -1,-0.3 1,-0.3 -2,-0.1 0.783 87.3 63.7 -55.5 -23.8 15.4 24.6 14.6 26 26 A R G < S- 0 0 100 -3,-1.5 -1,-0.3 1,-0.1 -2,-0.2 0.734 111.6-117.8 -71.6 -20.8 15.3 26.1 18.1 27 27 A G < + 0 0 24 -3,-2.6 2,-0.3 -4,-0.3 -1,-0.1 0.073 40.8 173.6 92.3 151.5 13.2 23.3 19.4 28 28 A Y - 0 0 31 1,-0.1 46,-0.3 -3,-0.1 3,-0.1 -0.950 32.5-138.2 179.4 164.5 9.7 23.3 20.8 29 29 A D S S+ 0 0 30 44,-3.0 20,-1.8 -2,-0.3 2,-0.3 0.544 82.5 8.0-116.9 -14.8 6.9 21.0 22.1 30 30 A S E -CD 48 73A 0 43,-1.0 43,-2.7 18,-0.3 2,-0.3 -0.967 57.9-163.3-161.3 168.8 3.8 22.6 20.6 31 31 A A E +CD 47 72A 2 16,-2.1 16,-2.6 -2,-0.3 2,-0.3 -0.985 9.3 172.5-158.8 161.4 2.7 25.4 18.3 32 32 A G E -CD 46 71A 0 39,-2.3 39,-2.4 -2,-0.3 2,-0.3 -0.983 10.9-158.6-167.1 162.9 -0.4 27.3 17.4 33 33 A L E -CD 45 70A 0 12,-2.7 12,-2.8 -2,-0.3 2,-0.3 -0.977 2.4-162.2-149.7 160.1 -1.8 30.2 15.5 34 34 A A E -CD 44 69A 0 35,-2.3 35,-2.1 -2,-0.3 2,-0.3 -0.987 10.2-176.0-142.9 135.2 -4.8 32.5 15.5 35 35 A V E -CD 43 68A 0 8,-2.3 8,-3.0 -2,-0.3 2,-0.4 -0.966 7.4-159.3-133.3 150.4 -6.0 34.6 12.6 36 36 A V E -CD 42 67A 0 31,-2.9 31,-1.5 -2,-0.3 30,-0.4 -0.986 10.5-142.4-131.2 132.6 -8.8 37.1 12.5 37 37 A D > - 0 0 32 4,-2.0 3,-2.0 -2,-0.4 28,-0.1 -0.247 39.3 -89.0 -87.6-177.9 -10.6 38.3 9.4 38 38 A A T 3 S+ 0 0 92 1,-0.3 129,-0.1 2,-0.1 -1,-0.1 0.768 126.2 55.7 -65.6 -21.1 -11.9 41.8 8.7 39 39 A E T 3 S- 0 0 142 2,-0.1 -1,-0.3 126,-0.1 3,-0.1 0.256 121.0-104.7 -95.1 11.5 -15.2 41.1 10.4 40 40 A G < + 0 0 23 -3,-2.0 2,-0.7 1,-0.3 -2,-0.1 0.648 69.1 148.9 78.7 15.1 -13.5 40.1 13.6 41 41 A H - 0 0 104 123,-0.1 -4,-2.0 2,-0.0 2,-0.3 -0.781 31.5-158.5 -82.9 117.8 -14.0 36.3 13.2 42 42 A M E -C 36 0A 59 -2,-0.7 2,-0.5 -6,-0.2 -6,-0.2 -0.745 11.9-167.9-101.8 135.4 -11.1 34.6 14.9 43 43 A T E -C 35 0A 48 -8,-3.0 -8,-2.3 -2,-0.3 2,-0.4 -0.996 8.4-173.2-119.8 129.6 -9.9 31.1 14.2 44 44 A R E +C 34 0A 80 -2,-0.5 2,-0.4 -10,-0.2 -10,-0.2 -0.948 5.3 178.0-124.0 134.6 -7.4 29.6 16.6 45 45 A L E +C 33 0A 13 -12,-2.8 -12,-2.7 -2,-0.4 2,-0.3 -0.993 4.5 171.4-136.3 131.5 -5.7 26.2 16.0 46 46 A R E -C 32 0A 30 -2,-0.4 2,-0.3 -14,-0.3 -14,-0.2 -0.976 8.0-169.2-139.4 154.7 -3.1 24.7 18.4 47 47 A R E -C 31 0A 68 -16,-2.6 -16,-2.1 -2,-0.3 2,-0.6 -0.995 26.8-131.0-144.9 134.5 -1.4 21.3 18.5 48 48 A L E S+C 30 0A 87 -2,-0.3 2,-0.4 -18,-0.2 -18,-0.3 -0.761 87.8 30.9 -70.2 124.1 0.8 19.5 20.9 49 49 A G S S- 0 0 11 -20,-1.8 2,-0.1 -2,-0.6 -2,-0.1 -0.933 101.7 -6.4 126.6-149.1 3.5 18.3 18.6 50 50 A K >> - 0 0 110 -2,-0.4 4,-1.6 1,-0.1 3,-0.8 -0.446 53.7-117.3 -95.5 159.8 5.2 19.6 15.4 51 51 A V H 3> S+ 0 0 0 1,-0.3 4,-3.1 2,-0.2 5,-0.2 0.871 116.1 62.3 -58.7 -34.3 4.5 22.5 13.2 52 52 A Q H 3> S+ 0 0 98 1,-0.2 4,-2.4 2,-0.2 -1,-0.3 0.892 101.4 51.3 -60.0 -36.6 3.8 20.0 10.4 53 53 A M H <> S+ 0 0 77 -3,-0.8 4,-2.0 2,-0.2 -1,-0.2 0.892 111.8 47.0 -64.6 -39.3 0.9 18.6 12.5 54 54 A L H X S+ 0 0 0 -4,-1.6 4,-2.2 2,-0.2 -2,-0.2 0.910 110.9 51.2 -68.0 -41.3 -0.4 22.2 12.8 55 55 A A H X S+ 0 0 2 -4,-3.1 4,-1.1 2,-0.2 -2,-0.2 0.876 109.1 51.7 -66.5 -38.2 0.0 22.8 9.1 56 56 A Q H < S+ 0 0 106 -4,-2.4 4,-0.4 -5,-0.2 3,-0.4 0.924 110.9 46.5 -64.6 -42.0 -1.8 19.6 8.3 57 57 A A H >< S+ 0 0 11 -4,-2.0 3,-1.1 1,-0.2 -2,-0.2 0.847 108.3 57.4 -65.9 -32.4 -4.8 20.6 10.6 58 58 A A H >< S+ 0 0 2 -4,-2.2 3,-1.5 1,-0.2 5,-0.3 0.813 96.7 63.6 -69.6 -26.4 -4.7 24.1 9.0 59 59 A E T 3< S+ 0 0 122 -4,-1.1 -1,-0.2 -3,-0.4 -2,-0.2 0.648 103.8 46.9 -73.1 -14.9 -5.2 22.4 5.6 60 60 A E T < S+ 0 0 164 -3,-1.1 -1,-0.3 -4,-0.4 -2,-0.2 0.202 118.8 42.4-103.8 13.6 -8.6 21.2 6.7 61 61 A H S < S- 0 0 101 -3,-1.5 3,-0.2 2,-0.0 -2,-0.2 0.190 81.9-155.6-140.5 10.9 -9.5 24.6 8.1 62 62 A P - 0 0 82 0, 0.0 2,-0.6 0, 0.0 -3,-0.1 0.510 20.2-143.2 -14.2 103.6 -8.3 27.0 5.5 63 63 A L - 0 0 9 -5,-0.3 -50,-0.4 2,-0.0 2,-0.4 -0.644 15.4-160.0 -80.7 115.1 -8.0 30.0 8.0 64 64 A H + 0 0 114 -2,-0.6 2,-0.2 -3,-0.2 -21,-0.1 -0.775 37.5 94.6 -98.3 144.0 -9.0 33.2 6.4 65 65 A G - 0 0 5 -2,-0.4 -53,-2.4 -28,-0.1 -52,-0.4 -0.443 59.5-129.4 148.4 144.5 -7.9 36.6 7.7 66 66 A G S S+ 0 0 11 -30,-0.4 -58,-3.0 -55,-0.3 2,-0.4 0.386 90.5 63.5 -96.1 1.8 -5.3 39.2 7.2 67 67 A T E +AD 7 36A 9 -31,-1.5 -31,-2.9 -60,-0.2 2,-0.3 -0.990 64.8 139.1-127.9 131.4 -4.2 39.6 10.9 68 68 A G E -AD 6 35A 0 -62,-2.2 -62,-2.3 -2,-0.4 2,-0.3 -0.991 32.1-154.1-164.6 162.0 -2.7 36.7 12.9 69 69 A I E -AD 5 34A 0 -35,-2.1 -35,-2.3 -2,-0.3 2,-0.3 -0.955 15.4-175.3-141.2 154.6 -0.1 35.6 15.4 70 70 A A E -AD 4 33A 0 -66,-2.5 -66,-2.1 -2,-0.3 2,-0.3 -0.966 0.6-171.4-152.1 164.5 1.6 32.3 15.8 71 71 A H E -AD 3 32A 0 -39,-2.4 -39,-2.3 -2,-0.3 2,-0.4 -0.996 21.3-146.6-160.9 142.6 4.0 30.7 18.2 72 72 A T E -AD 2 31A 0 -70,-2.0 -70,-1.9 -2,-0.3 2,-0.4 -0.983 33.7-145.0-110.3 137.9 6.1 27.6 18.9 73 73 A R E - D 0 30A 0 -43,-2.7 -44,-3.0 -2,-0.4 -43,-1.0 -0.800 24.3-167.9-107.7 140.8 6.3 26.9 22.5 74 74 A W - 0 0 140 -2,-0.4 -46,-0.1 -46,-0.3 -2,-0.0 -0.955 42.8-122.9-115.9 106.1 9.1 25.6 24.7 75 75 A A + 0 0 22 -2,-0.5 3,-0.1 1,-0.2 4,-0.1 -0.201 51.7 148.3 -56.2 132.5 7.1 24.9 27.9 76 76 A T S S+ 0 0 68 1,-0.2 2,-0.6 23,-0.1 -1,-0.2 0.552 73.8 36.8-122.5 -37.5 8.2 26.5 31.1 77 77 A H S S+ 0 0 43 1,-0.1 -1,-0.2 7,-0.1 47,-0.2 -0.916 121.1 9.3-120.0 103.1 5.0 27.0 33.0 78 78 A G S S- 0 0 24 -2,-0.6 -1,-0.1 44,-0.1 3,-0.1 0.182 94.5 -82.5 102.0 135.3 2.5 24.2 32.5 79 79 A E - 0 0 125 1,-0.1 5,-0.2 -3,-0.1 42,-0.2 -0.273 59.0 -82.0 -66.7 159.7 3.3 20.9 30.8 80 80 A P S S+ 0 0 53 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.394 75.8 130.1 -60.2 127.3 3.2 20.6 27.0 81 81 A S S > S- 0 0 21 -2,-0.1 4,-1.0 -3,-0.1 3,-0.3 -0.935 70.6-103.9-170.2 161.8 -0.4 20.2 26.0 82 82 A E T 4 S+ 0 0 89 -2,-0.3 3,-0.5 1,-0.2 -1,-0.1 0.875 119.2 58.5 -65.7 -37.2 -2.8 21.7 23.6 83 83 A V T 4 S+ 0 0 67 1,-0.2 -1,-0.2 -3,-0.1 36,-0.1 0.882 110.2 42.5 -59.1 -35.5 -4.5 23.6 26.4 84 84 A N T 4 S+ 0 0 0 -3,-0.3 -1,-0.2 -5,-0.2 -2,-0.2 0.562 92.8 104.4 -89.3 -12.1 -1.2 25.3 27.4 85 85 A A S < S- 0 0 0 -4,-1.0 37,-0.1 -3,-0.5 -37,-0.1 -0.335 71.0 -82.6 -64.1 153.7 -0.1 26.1 23.8 86 86 A H S S+ 0 0 0 -54,-0.1 -15,-0.2 11,-0.1 10,-0.1 -0.539 93.9 72.3 -98.6 152.1 -0.3 29.6 22.6 87 87 A P - 0 0 0 0, 0.0 2,-0.3 0, 0.0 9,-0.2 0.518 70.0-163.6 -87.7 149.1 -2.0 31.8 21.4 88 88 A H E -H 95 0B 2 7,-2.4 7,-2.7 -2,-0.1 2,-0.3 -0.761 6.4-151.1 -98.7 154.9 -3.9 32.2 24.7 89 89 A V E -H 94 0B 34 -2,-0.3 5,-0.2 5,-0.2 2,-0.2 -0.824 27.4-172.2-125.5 158.7 -7.2 34.1 24.7 90 90 A S E > S-H 93 0B 5 3,-2.3 3,-2.3 1,-0.3 2,-0.4 -0.699 75.4 -69.6-144.0 87.5 -9.3 36.2 27.0 91 91 A E T 3 S- 0 0 124 1,-0.3 -1,-0.3 -2,-0.2 72,-0.1 -0.457 123.2 -4.3 59.7-114.7 -12.4 36.6 25.0 92 92 A H T 3 S+ 0 0 26 -2,-0.4 71,-2.7 -3,-0.1 2,-0.4 0.565 115.8 93.4 -84.4 -10.9 -11.3 38.9 22.2 93 93 A I E < -HI 90 162B 0 -3,-2.3 -3,-2.3 69,-0.2 2,-0.4 -0.710 55.5-173.9 -84.3 132.4 -7.7 39.4 23.4 94 94 A V E -HI 89 161B 0 67,-2.9 67,-2.5 -2,-0.4 2,-0.3 -0.998 5.0-175.7-131.6 134.8 -5.3 36.9 21.9 95 95 A V E -HI 88 160B 0 -7,-2.7 -7,-2.4 -2,-0.4 2,-0.4 -0.960 20.7-169.8-135.6 145.2 -1.7 36.7 23.0 96 96 A V E - I 0 159B 0 63,-2.0 63,-1.8 -2,-0.3 2,-0.4 -0.964 22.3-170.9-125.5 152.7 1.5 34.9 22.1 97 97 A H E - I 0 158B 0 -2,-0.4 2,-0.4 61,-0.2 61,-0.2 -0.991 20.1-161.5-148.8 135.3 4.4 35.2 24.4 98 98 A N E + I 0 157B 7 59,-3.1 59,-2.2 -2,-0.4 2,-0.3 -0.959 66.4 16.0-109.9 140.5 8.2 34.4 24.7 99 99 A G E S- I 0 156B 15 -2,-0.4 2,-0.4 57,-0.2 57,-0.2 -0.710 91.8 -59.8 105.3-157.7 9.9 34.3 28.0 100 100 A I - 0 0 60 55,-1.8 2,-0.9 -2,-0.3 55,-0.4 -0.985 21.1-142.3-138.5 139.7 8.5 34.2 31.5 101 101 A I > - 0 0 0 -2,-0.4 3,-1.4 1,-0.2 53,-0.3 -0.894 21.4-166.5 -99.8 102.5 6.3 36.4 33.6 102 102 A E T 3 S+ 0 0 145 51,-1.8 3,-0.4 -2,-0.9 52,-0.2 0.776 83.2 48.6 -66.7 -28.5 8.0 36.0 36.9 103 103 A N T 3> S+ 0 0 29 50,-0.9 4,-1.8 1,-0.2 -1,-0.3 -0.068 71.7 124.5-101.1 33.2 5.1 37.5 38.9 104 104 A H H <> + 0 0 25 -3,-1.4 4,-2.7 1,-0.2 -1,-0.2 0.818 66.5 59.2 -64.4 -30.0 2.5 35.4 37.3 105 105 A E H > S+ 0 0 128 -3,-0.4 4,-2.4 2,-0.2 5,-0.3 0.981 106.3 43.3 -66.1 -56.8 1.2 34.0 40.7 106 106 A P H > S+ 0 0 85 0, 0.0 4,-2.4 0, 0.0 -1,-0.2 0.916 118.5 47.6 -53.8 -43.9 0.3 37.3 42.3 107 107 A L H X S+ 0 0 6 -4,-1.8 4,-3.0 2,-0.2 -2,-0.2 0.871 107.9 53.9 -65.3 -40.5 -1.3 38.4 39.0 108 108 A R H X S+ 0 0 31 -4,-2.7 4,-3.2 2,-0.2 -1,-0.2 0.946 112.0 44.7 -59.3 -46.0 -3.2 35.2 38.5 109 109 A E H X S+ 0 0 108 -4,-2.4 4,-3.9 2,-0.2 5,-0.3 0.939 113.0 52.6 -64.2 -42.0 -4.8 35.5 42.0 110 110 A E H X S+ 0 0 61 -4,-2.4 4,-1.7 -5,-0.3 -1,-0.2 0.933 113.9 41.6 -57.4 -46.8 -5.5 39.1 41.4 111 111 A L H <>S+ 0 0 0 -4,-3.0 5,-2.7 2,-0.2 -1,-0.2 0.861 113.6 52.1 -74.1 -31.7 -7.2 38.3 38.1 112 112 A K H ><5S+ 0 0 94 -4,-3.2 3,-3.1 2,-0.2 -2,-0.2 0.973 109.6 50.0 -60.6 -48.2 -9.0 35.3 39.6 113 113 A A H 3<5S+ 0 0 92 -4,-3.9 -2,-0.2 1,-0.3 -1,-0.2 0.872 108.2 56.3 -56.0 -34.4 -10.2 37.6 42.4 114 114 A R T 3<5S- 0 0 86 -4,-1.7 -1,-0.3 -5,-0.3 -2,-0.2 0.533 129.5 -97.3 -79.7 -4.8 -11.2 39.9 39.6 115 115 A G T < 5S+ 0 0 62 -3,-3.1 2,-0.2 1,-0.3 -3,-0.2 0.437 75.0 137.3 113.5 -0.4 -13.4 37.2 38.0 116 116 A Y < - 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