==== 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 SUGAR BINDING PROTEIN 25-JUN-05 2A3N . COMPND 2 MOLECULE: PUTATIVE GLUCOSAMINE-FRUCTOSE-6-PHOSPHATE AMINOTR . SOURCE 2 ORGANISM_SCIENTIFIC: SALMONELLA TYPHIMURIUM; . AUTHOR JOINT CENTER FOR STRUCTURAL GENOMICS (JCSG) . 336 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14873.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 253 75.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 36 10.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 17 5.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 46 13.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 134 39.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 13 3.9 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 2 1 0 2 0 0 2 0 2 1 3 0 0 0 1 0 0 0 0 1 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 2 2 3 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 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 ANTIPARALLEL BRIDGES PER LADDER . 0 0 1 1 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 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 8 A X > 0 0 82 0, 0.0 3,-1.7 0, 0.0 2,-0.1 0.000 360.0 360.0 360.0 148.3 12.9 -28.5 28.1 2 9 A L T 3 + 0 0 82 1,-0.3 313,-0.1 3,-0.0 3,-0.1 -0.337 360.0 0.5 -58.0 126.1 13.9 -30.5 25.0 3 10 A G T 3 S+ 0 0 67 1,-0.2 2,-0.4 -2,-0.1 -1,-0.3 0.754 110.3 109.9 70.7 24.4 16.1 -28.4 22.6 4 11 A F < - 0 0 42 -3,-1.7 2,-0.5 311,-0.0 -1,-0.2 -0.992 47.3-166.5-135.4 142.1 16.0 -25.3 24.8 5 12 A N > - 0 0 75 -2,-0.4 4,-2.0 1,-0.1 5,-0.1 -0.963 8.1-160.9-128.9 111.4 18.6 -23.4 27.0 6 13 A Q H > S+ 0 0 91 -2,-0.5 4,-2.6 1,-0.2 5,-0.2 0.862 90.6 55.9 -61.5 -39.0 17.1 -20.9 29.3 7 14 A D H > S+ 0 0 117 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.918 108.0 48.0 -60.8 -43.5 20.3 -19.0 29.8 8 15 A E H > S+ 0 0 97 2,-0.2 4,-2.4 1,-0.2 129,-0.3 0.920 112.1 50.9 -61.4 -40.9 20.7 -18.5 26.0 9 16 A Y H X S+ 0 0 9 -4,-2.0 4,-2.1 1,-0.2 -2,-0.2 0.924 112.5 44.3 -64.8 -44.0 17.1 -17.3 25.9 10 17 A L H X S+ 0 0 61 -4,-2.6 4,-2.2 2,-0.2 -1,-0.2 0.852 111.0 54.6 -74.6 -29.0 17.5 -14.8 28.7 11 18 A T H X S+ 0 0 71 -4,-2.3 4,-2.4 -5,-0.2 -1,-0.2 0.915 107.8 51.3 -63.3 -46.4 20.9 -13.6 27.3 12 19 A S H X S+ 0 0 5 -4,-2.4 4,-2.3 1,-0.2 5,-0.2 0.922 108.5 50.9 -55.8 -45.9 19.1 -13.0 24.0 13 20 A A H X S+ 0 0 7 -4,-2.1 4,-2.7 1,-0.2 5,-0.2 0.910 109.4 50.2 -59.8 -45.2 16.4 -10.9 25.8 14 21 A R H X S+ 0 0 187 -4,-2.2 4,-2.1 1,-0.2 -1,-0.2 0.915 111.0 49.2 -61.3 -41.7 19.0 -8.8 27.5 15 22 A E H < S+ 0 0 74 -4,-2.4 -1,-0.2 2,-0.2 -2,-0.2 0.873 113.5 45.3 -64.1 -38.7 20.8 -8.1 24.3 16 23 A I H >< S+ 0 0 0 -4,-2.3 3,-1.7 -5,-0.2 4,-0.4 0.923 111.2 51.4 -74.5 -41.6 17.6 -7.1 22.4 17 24 A I H >< S+ 0 0 45 -4,-2.7 3,-1.6 1,-0.3 4,-0.4 0.907 104.8 59.5 -60.0 -34.7 16.4 -4.9 25.3 18 25 A A T 3< S+ 0 0 77 -4,-2.1 -1,-0.3 1,-0.3 4,-0.2 0.549 102.3 54.2 -68.4 -12.3 19.8 -3.2 25.2 19 26 A A T <> S+ 0 0 6 -3,-1.7 4,-2.4 -4,-0.2 -1,-0.3 0.425 80.8 91.7 -98.4 -4.7 19.1 -2.3 21.6 20 27 A R H <> S+ 0 0 43 -3,-1.6 4,-2.5 -4,-0.4 5,-0.2 0.916 84.7 52.8 -52.4 -46.6 15.8 -0.6 22.4 21 28 A Q H > S+ 0 0 155 -4,-0.4 4,-2.4 1,-0.2 -1,-0.2 0.926 110.0 46.9 -60.9 -44.1 17.5 2.8 22.8 22 29 A K H > S+ 0 0 68 -4,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.904 110.5 52.7 -65.6 -41.9 19.2 2.6 19.4 23 30 A A H X S+ 0 0 0 -4,-2.4 4,-2.3 1,-0.2 -1,-0.2 0.916 112.0 46.4 -59.7 -42.1 15.9 1.5 17.7 24 31 A E H X S+ 0 0 23 -4,-2.5 4,-2.5 2,-0.2 -2,-0.2 0.878 110.6 52.4 -65.8 -37.1 14.2 4.5 19.2 25 32 A Q H X S+ 0 0 91 -4,-2.4 4,-2.3 2,-0.2 -2,-0.2 0.901 110.0 48.5 -66.1 -41.0 17.1 6.8 18.2 26 33 A V H X S+ 0 0 0 -4,-2.6 4,-2.6 2,-0.2 5,-0.2 0.941 111.9 49.7 -62.4 -47.9 16.8 5.6 14.6 27 34 A A H X S+ 0 0 0 -4,-2.3 4,-2.6 1,-0.2 -2,-0.2 0.918 111.1 49.8 -53.4 -47.6 13.1 6.1 14.7 28 35 A D H X S+ 0 0 36 -4,-2.5 4,-2.7 2,-0.2 -1,-0.2 0.894 110.9 48.7 -64.2 -40.5 13.6 9.6 16.0 29 36 A E H X S+ 0 0 90 -4,-2.3 4,-2.2 2,-0.2 5,-0.2 0.900 111.1 50.2 -66.0 -39.2 16.1 10.4 13.3 30 37 A I H X S+ 0 0 3 -4,-2.6 4,-1.7 2,-0.2 -2,-0.2 0.955 115.3 43.3 -60.2 -49.3 13.9 9.1 10.6 31 38 A Y H < S+ 0 0 80 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.923 114.4 49.6 -63.8 -43.9 11.0 11.2 11.9 32 39 A Q H < S+ 0 0 134 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.863 114.1 44.4 -68.6 -37.6 13.0 14.3 12.5 33 40 A A H < S- 0 0 72 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.763 112.5-127.4 -71.6 -29.6 14.6 14.3 9.0 34 41 A G < - 0 0 31 -4,-1.7 2,-0.3 -5,-0.2 -1,-0.1 0.060 25.8-156.8 93.8 155.6 11.3 13.5 7.4 35 42 A F - 0 0 37 1,-0.2 50,-0.2 -4,-0.1 3,-0.1 -0.981 18.9-145.8-162.6 159.4 10.3 10.8 5.0 36 43 A S S S- 0 0 34 48,-1.7 2,-0.3 1,-0.4 49,-0.2 0.837 79.3 -0.5 -91.3 -74.1 7.8 10.0 2.3 37 44 A S - 0 0 4 43,-0.2 49,-2.5 45,-0.1 2,-0.5 -0.767 58.2-135.8-122.9 156.3 7.1 6.3 2.6 38 45 A L E -ab 65 86A 5 26,-2.5 28,-2.4 -2,-0.3 2,-0.5 -0.977 19.4-169.5-112.3 119.0 8.4 3.4 4.7 39 46 A F E -ab 66 87A 0 47,-2.7 49,-2.9 -2,-0.5 2,-0.7 -0.950 8.3-161.5-111.9 118.7 9.2 0.2 2.8 40 47 A F E -ab 67 88A 4 26,-3.1 28,-2.5 -2,-0.5 2,-0.5 -0.874 22.6-178.9 -96.5 110.8 9.8 -2.9 4.9 41 48 A A E +a 68 0A 0 47,-2.4 49,-0.4 -2,-0.7 2,-0.2 -0.951 16.6 118.3-125.7 123.7 11.7 -5.2 2.4 42 49 A S E -a 69 0A 1 26,-1.9 28,-2.5 -2,-0.5 2,-0.3 -0.870 43.7-114.0-160.1-169.7 12.9 -8.7 3.1 43 50 A V > - 0 0 22 -2,-0.2 3,-1.1 26,-0.2 4,-0.3 -0.974 63.2 -15.9-138.3 155.1 12.7 -12.4 2.1 44 51 A G G > S- 0 0 25 -2,-0.3 3,-1.8 1,-0.2 4,-0.4 -0.163 123.5 -2.6 56.5-138.4 11.5 -15.6 3.6 45 52 A G G > S+ 0 0 18 1,-0.3 3,-1.6 2,-0.2 -1,-0.2 0.811 125.2 66.8 -61.7 -30.1 11.0 -15.8 7.4 46 53 A S G <> S+ 0 0 22 -3,-1.1 4,-0.6 1,-0.3 -1,-0.3 0.660 90.7 66.8 -69.6 -16.3 12.2 -12.3 8.0 47 54 A L H <> S+ 0 0 9 -3,-1.8 4,-2.5 -4,-0.3 -1,-0.3 0.780 83.7 76.3 -65.0 -28.8 9.1 -11.1 6.1 48 55 A A H <> S+ 0 0 0 -3,-1.6 4,-1.9 -4,-0.4 164,-0.3 0.918 95.6 42.4 -54.9 -53.3 6.8 -12.4 8.8 49 56 A P H > S+ 0 0 0 0, 0.0 4,-2.2 0, 0.0 -1,-0.3 0.862 114.2 54.3 -61.5 -33.7 7.3 -9.7 11.3 50 57 A X H X S+ 0 0 0 -4,-0.6 4,-2.2 2,-0.2 -2,-0.2 0.836 104.2 53.2 -67.4 -35.6 7.1 -7.2 8.6 51 58 A X H X S+ 0 0 36 -4,-2.5 4,-2.1 2,-0.2 -1,-0.2 0.901 108.0 51.7 -67.4 -33.5 3.8 -8.5 7.4 52 59 A A H X S+ 0 0 0 -4,-1.9 4,-2.3 -5,-0.2 5,-0.2 0.950 108.0 52.1 -63.2 -43.9 2.5 -8.0 11.0 53 60 A I H X S+ 0 0 0 -4,-2.2 4,-2.9 1,-0.2 -2,-0.2 0.919 108.6 51.1 -55.5 -45.0 3.8 -4.4 10.9 54 61 A N H X S+ 0 0 32 -4,-2.2 4,-1.9 1,-0.2 -1,-0.2 0.913 108.9 50.8 -61.3 -40.6 1.9 -3.9 7.7 55 62 A E H X S+ 0 0 43 -4,-2.1 4,-0.7 2,-0.2 -1,-0.2 0.876 111.9 46.4 -66.3 -37.0 -1.3 -5.2 9.3 56 63 A F H >X S+ 0 0 0 -4,-2.3 4,-2.5 1,-0.2 3,-0.9 0.922 109.8 55.5 -67.9 -42.0 -0.9 -2.9 12.3 57 64 A A H 3X S+ 0 0 5 -4,-2.9 4,-2.1 1,-0.3 -2,-0.2 0.849 95.7 65.8 -58.9 -35.0 -0.2 -0.0 10.0 58 65 A K H 3< S+ 0 0 138 -4,-1.9 -1,-0.3 1,-0.2 -2,-0.2 0.863 115.7 28.3 -55.4 -39.2 -3.4 -0.6 8.1 59 66 A E H << S+ 0 0 88 -3,-0.9 -2,-0.2 -4,-0.7 -1,-0.2 0.841 125.8 42.8 -87.0 -37.0 -5.4 0.3 11.3 60 67 A L H < S+ 0 0 47 -4,-2.5 2,-0.3 -5,-0.1 -3,-0.2 0.630 106.1 39.3 -98.8 -15.9 -3.0 2.7 13.0 61 68 A T < - 0 0 19 -4,-2.1 4,-0.1 -5,-0.2 -1,-0.1 -0.987 43.7-155.6-140.6 150.0 -1.4 5.1 10.6 62 69 A T + 0 0 129 -2,-0.3 -1,-0.1 2,-0.1 -4,-0.0 0.423 67.9 114.0 -89.6 -3.2 -2.1 7.2 7.5 63 70 A L S S- 0 0 31 1,-0.1 2,-0.8 -6,-0.1 -2,-0.1 -0.355 83.2-101.2 -65.9 150.1 1.6 7.1 6.7 64 71 A P + 0 0 53 0, 0.0 -26,-2.5 0, 0.0 2,-0.4 -0.639 53.9 170.4 -74.6 111.7 2.5 5.2 3.5 65 72 A V E +a 38 0A 14 -2,-0.8 2,-0.3 -28,-0.2 -26,-0.2 -0.994 5.0 174.6-127.2 130.3 3.8 1.8 4.8 66 73 A Y E -a 39 0A 79 -28,-2.4 -26,-3.1 -2,-0.4 2,-0.4 -0.957 22.8-149.4-137.4 150.7 4.5 -1.1 2.5 67 74 A V E -a 40 0A 30 -2,-0.3 2,-0.4 -28,-0.2 -26,-0.2 -0.992 26.4-179.4-117.4 127.2 5.9 -4.6 2.9 68 75 A E E -a 41 0A 45 -28,-2.5 -26,-1.9 -2,-0.4 2,-0.5 -0.982 36.3-118.6-133.9 140.7 7.7 -6.0 -0.1 69 76 A Q E > -a 42 0A 58 -2,-0.4 4,-2.6 -28,-0.2 -26,-0.2 -0.675 35.3-136.7 -71.2 122.5 9.5 -9.2 -1.1 70 77 A A H > S+ 0 0 0 -28,-2.5 4,-1.8 -2,-0.5 -1,-0.1 0.747 97.7 51.3 -66.0 -30.5 13.0 -7.7 -1.7 71 78 A A H > S+ 0 0 30 -29,-0.3 4,-1.6 2,-0.2 -1,-0.2 0.885 112.1 46.6 -70.6 -42.0 13.7 -9.7 -4.9 72 79 A E H > S+ 0 0 113 1,-0.2 4,-2.6 2,-0.2 5,-0.3 0.947 112.4 51.9 -60.6 -46.0 10.5 -8.6 -6.5 73 80 A L H X S+ 0 0 2 -4,-2.6 4,-2.6 1,-0.2 -2,-0.2 0.910 109.0 48.1 -61.2 -43.3 11.1 -5.0 -5.4 74 81 A I H < S+ 0 0 49 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.839 114.8 46.9 -71.7 -27.6 14.6 -4.8 -6.9 75 82 A H H < S+ 0 0 158 -4,-1.6 -2,-0.2 -5,-0.1 -1,-0.2 0.890 124.1 30.0 -73.2 -45.2 13.3 -6.3 -10.2 76 83 A K H < S- 0 0 169 -4,-2.6 -2,-0.2 -5,-0.2 -3,-0.2 0.793 88.6-150.7 -83.5 -31.9 10.3 -4.0 -10.5 77 84 A G < - 0 0 23 -4,-2.6 2,-0.3 -5,-0.3 -1,-0.1 -0.228 18.9-116.7 67.9-177.3 11.2 -0.8 -8.8 78 85 A N > - 0 0 43 3,-0.3 3,-1.5 -4,-0.1 -1,-0.1 -0.911 3.5-141.8-157.9 127.2 8.2 1.0 -7.3 79 86 A K T 3 S+ 0 0 207 -2,-0.3 -1,-0.1 1,-0.3 -2,-0.0 0.715 104.7 53.2 -64.8 -21.0 6.9 4.5 -8.2 80 87 A R T 3 S+ 0 0 137 2,-0.1 2,-0.8 -3,-0.0 -1,-0.3 0.457 88.0 88.0 -91.0 -5.3 6.2 5.2 -4.6 81 88 A L < + 0 0 14 -3,-1.5 -3,-0.3 -45,-0.1 2,-0.2 -0.865 63.6 154.1 -93.8 113.3 9.7 4.4 -3.5 82 89 A N > - 0 0 66 -2,-0.8 3,-2.4 -45,-0.1 -46,-0.1 -0.718 60.4 -76.0-135.3-174.5 11.6 7.7 -4.0 83 90 A K T 3 S+ 0 0 78 1,-0.3 29,-0.3 -2,-0.2 -2,-0.0 0.639 127.8 50.6 -67.3 -14.7 14.6 9.7 -2.7 84 91 A D T 3 S+ 0 0 94 27,-0.1 -48,-1.7 2,-0.1 -1,-0.3 0.352 89.8 107.6-100.4 6.1 12.8 10.6 0.5 85 92 A S < - 0 0 0 -3,-2.4 27,-0.8 -50,-0.2 2,-0.4 -0.366 60.4-142.1 -74.9 162.0 11.7 6.9 1.3 86 93 A V E -bc 38 112A 0 -49,-2.5 -47,-2.7 25,-0.1 2,-0.5 -0.998 10.5-157.0-123.5 131.2 13.2 4.8 4.1 87 94 A V E -bc 39 113A 0 25,-2.4 27,-2.7 -2,-0.4 2,-0.5 -0.923 6.7-154.2-107.7 123.9 13.8 1.1 3.3 88 95 A I E -bc 40 114A 3 -49,-2.9 -47,-2.4 -2,-0.5 2,-0.3 -0.901 15.9-179.9-104.7 125.7 14.0 -1.2 6.4 89 96 A T E - c 0 115A 0 25,-2.8 27,-2.0 -2,-0.5 2,-0.3 -0.863 9.0-169.0-124.6 155.4 15.9 -4.4 6.1 90 97 A L E + c 0 116A 1 -49,-0.4 2,-0.3 -2,-0.3 27,-0.2 -0.975 11.2 164.0-150.9 127.7 16.6 -7.2 8.5 91 98 A S - 0 0 2 25,-2.2 27,-0.4 -2,-0.3 43,-0.1 -0.936 29.4-151.3-150.0 129.0 19.0 -10.2 8.3 92 99 A K S S+ 0 0 90 -2,-0.3 26,-0.7 1,-0.2 -1,-0.1 0.932 104.7 35.7 -63.6 -46.8 20.2 -12.5 11.0 93 100 A S S S- 0 0 63 24,-0.1 -1,-0.2 25,-0.1 26,-0.1 0.758 97.2-135.3 -76.8 -28.0 23.5 -13.1 9.1 94 101 A G S S+ 0 0 0 22,-0.2 30,-2.2 28,-0.1 31,-0.2 0.459 92.5 78.6 80.6 0.5 23.9 -9.6 7.7 95 102 A D + 0 0 95 28,-0.2 5,-0.1 27,-0.1 -3,-0.0 0.379 50.8 142.5-116.3 -7.6 24.8 -11.3 4.4 96 103 A T >> - 0 0 43 1,-0.1 4,-2.8 2,-0.1 3,-0.6 -0.213 49.8-137.8 -54.1 121.0 21.4 -12.4 3.0 97 104 A K H 3> S+ 0 0 93 1,-0.3 4,-2.6 2,-0.2 -1,-0.1 0.860 95.6 45.2 -56.6 -46.3 21.8 -11.8 -0.7 98 105 A E H 3> S+ 0 0 83 2,-0.2 4,-1.9 1,-0.2 -1,-0.3 0.825 115.2 48.4 -68.7 -31.5 18.5 -10.3 -1.5 99 106 A S H <> S+ 0 0 1 -3,-0.6 4,-2.2 2,-0.2 -2,-0.2 0.910 112.6 47.1 -74.9 -42.9 18.5 -8.0 1.5 100 107 A V H X S+ 0 0 16 -4,-2.8 4,-2.9 1,-0.2 5,-0.3 0.933 111.5 54.3 -61.2 -40.9 22.1 -6.8 0.8 101 108 A A H X S+ 0 0 36 -4,-2.6 4,-2.3 -5,-0.3 -2,-0.2 0.918 109.4 44.3 -61.7 -47.7 21.1 -6.3 -2.9 102 109 A I H X S+ 0 0 0 -4,-1.9 4,-2.4 2,-0.2 -1,-0.2 0.900 113.6 51.4 -65.1 -40.2 18.1 -4.0 -2.1 103 110 A A H X S+ 0 0 0 -4,-2.2 4,-2.6 2,-0.2 -2,-0.2 0.942 112.5 45.6 -60.9 -44.7 20.1 -2.1 0.5 104 111 A E H X S+ 0 0 105 -4,-2.9 4,-2.3 2,-0.2 -2,-0.2 0.877 111.7 52.6 -64.9 -36.5 23.0 -1.5 -2.1 105 112 A W H X S+ 0 0 66 -4,-2.3 4,-1.0 -5,-0.3 -1,-0.2 0.913 111.8 45.9 -62.9 -44.8 20.5 -0.6 -4.8 106 113 A C H ><>S+ 0 0 0 -4,-2.4 5,-2.7 1,-0.2 3,-0.7 0.934 109.9 53.7 -65.1 -46.3 18.9 2.0 -2.4 107 114 A K H ><5S+ 0 0 127 -4,-2.6 3,-1.6 1,-0.3 -2,-0.2 0.922 105.7 53.9 -55.1 -43.1 22.3 3.3 -1.4 108 115 A A H 3<5S+ 0 0 93 -4,-2.3 -1,-0.3 1,-0.3 -2,-0.2 0.787 112.1 45.4 -64.9 -26.2 23.2 3.9 -5.1 109 116 A Q T <<5S- 0 0 97 -4,-1.0 -1,-0.3 -3,-0.7 -2,-0.2 0.366 117.8-109.3 -93.6 -0.1 20.0 5.9 -5.6 110 117 A G T < 5 + 0 0 53 -3,-1.6 2,-0.5 -4,-0.5 -3,-0.2 0.719 69.3 146.2 76.0 22.6 20.5 8.0 -2.4 111 118 A I < - 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