==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=13-SEP-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ISOMERASE 09-SEP-13 4MMW . COMPND 2 MOLECULE: ISOMERASE/LACTONIZING ENZYME; . SOURCE 2 ORGANISM_SCIENTIFIC: AGROBACTERIUM FABRUM; . AUTHOR A.A.FEDOROV,E.V.FEDOROV,A.SAKAI,J.A.GERLT,S.C.ALMO . 762 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 27922.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 526 69.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 65 8.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 74 9.7 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 . 6 0.8 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 . 40 5.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 75 9.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 224 29.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 20 2.6 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 4 4 0 2 0 2 2 2 4 2 2 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 3 3 6 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 0 0 PARALLEL BRIDGES PER LADDER . 8 0 2 0 0 2 0 0 0 0 0 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 1 2 2 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 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 M 0 0 52 0, 0.0 74,-2.7 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 154.8 8.8 49.9 -8.9 2 2 A I B -A 74 0A 64 72,-0.2 41,-2.0 73,-0.1 2,-0.4 -0.524 360.0-128.0 -75.6 126.4 12.1 49.3 -10.7 3 3 A I E +B 42 0B 1 70,-2.7 69,-3.1 67,-0.4 39,-0.3 -0.622 33.0 171.0 -71.7 125.0 14.9 47.8 -8.5 4 4 A T E + 0 0 56 37,-2.6 2,-0.3 -2,-0.4 38,-0.2 0.652 56.6 25.5-109.8 -23.8 18.0 50.0 -9.1 5 5 A D E -B 41 0B 61 36,-1.8 36,-2.5 65,-0.1 2,-0.4 -0.999 44.9-166.7-145.5 145.3 20.4 48.8 -6.4 6 6 A V E +B 40 0B 6 -2,-0.3 2,-0.4 34,-0.2 34,-0.2 -0.987 27.8 176.9-126.3 122.3 21.3 45.7 -4.3 7 7 A E E -B 39 0B 50 32,-2.8 32,-3.2 -2,-0.4 2,-0.4 -0.952 20.3-157.4-130.7 143.9 23.7 46.6 -1.5 8 8 A V E -B 38 0B 44 -2,-0.4 2,-0.5 30,-0.2 30,-0.2 -0.986 6.4-168.4-120.1 131.4 25.3 44.7 1.4 9 9 A R E -B 37 0B 68 28,-2.3 28,-2.5 -2,-0.4 2,-0.5 -0.984 6.8-158.9-117.5 121.8 26.7 46.4 4.5 10 10 A V E +B 36 0B 33 -2,-0.5 371,-2.6 371,-0.3 2,-0.3 -0.860 21.6 164.7-100.6 131.2 28.8 44.4 6.9 11 11 A F E -BC 35 380B 0 24,-2.7 24,-3.1 -2,-0.5 2,-0.5 -0.910 36.6-104.1-140.3 166.7 29.1 45.6 10.4 12 12 A R E -B 34 0B 89 367,-2.3 2,-0.4 -2,-0.3 22,-0.2 -0.836 28.4-168.3 -98.9 126.8 30.2 44.5 13.9 13 13 A T E -B 33 0B 9 20,-2.9 20,-2.7 -2,-0.5 2,-0.6 -0.883 19.9-130.7-108.3 145.2 27.6 43.6 16.5 14 14 A T E +B 32 0B 75 -2,-0.4 330,-0.4 18,-0.2 2,-0.3 -0.857 43.5 151.5 -98.2 124.0 28.5 43.0 20.2 15 15 A T E -B 31 0B 33 16,-2.6 16,-2.4 -2,-0.6 328,-0.0 -0.969 51.5-141.4-150.1 158.3 27.1 39.8 21.6 16 16 A R E S+ 0 0 138 -2,-0.3 12,-2.8 14,-0.2 2,-0.4 0.391 73.1 108.7-100.5 -0.1 27.7 37.1 24.1 17 17 A R E +B 27 0B 76 10,-0.2 2,-0.3 14,-0.1 -2,-0.1 -0.622 43.9 175.4 -80.0 130.7 26.4 34.4 21.7 18 18 A H E -B 26 0B 59 8,-2.8 8,-2.4 -2,-0.4 2,-0.4 -0.876 21.3-139.3-123.3 161.2 29.0 32.0 20.3 19 19 A S E -B 25 0B 77 -2,-0.3 6,-0.2 6,-0.2 5,-0.0 -0.992 17.3-135.0-122.9 134.1 28.6 29.0 18.0 20 20 A D > - 0 0 29 4,-2.9 3,-1.8 -2,-0.4 6,-0.0 -0.080 40.9 -85.1 -75.3-177.1 30.6 25.8 18.5 21 21 A S T 3 S+ 0 0 42 1,-0.3 -1,-0.1 2,-0.1 452,-0.1 0.702 130.6 51.8 -67.3 -18.7 32.3 23.9 15.7 22 22 A A T 3 S- 0 0 7 2,-0.1 451,-0.3 152,-0.1 -1,-0.3 0.398 124.2-102.4 -96.1 0.5 29.1 22.0 14.9 23 23 A G S < S+ 0 0 30 -3,-1.8 2,-0.4 1,-0.3 -2,-0.1 0.516 72.7 143.4 96.6 6.4 27.1 25.3 14.7 24 24 A H - 0 0 11 151,-0.1 -4,-2.9 1,-0.1 -1,-0.3 -0.656 47.7-123.3 -86.3 135.0 25.4 25.2 18.1 25 25 A A E +B 19 0B 26 -2,-0.4 114,-0.4 -6,-0.2 -6,-0.2 -0.445 35.8 165.4 -75.5 145.3 24.9 28.4 20.0 26 26 A H E -B 18 0B 28 -8,-2.4 -8,-2.8 -2,-0.1 2,-0.3 -0.980 39.5-102.6-149.6 154.5 26.3 28.9 23.5 27 27 A P E +B 17 0B 13 0, 0.0 -10,-0.2 0, 0.0 3,-0.1 -0.652 54.6 144.0 -78.9 140.5 26.8 31.9 25.8 28 28 A G E - 0 0 21 -12,-2.8 3,-0.1 -2,-0.3 -10,-0.0 -0.690 50.5 -29.2-148.8-158.5 30.4 33.0 26.1 29 29 A P E S- 0 0 89 0, 0.0 -1,-0.2 0, 0.0 2,-0.2 -0.267 71.6 -97.1 -61.5 150.6 32.6 36.1 26.4 30 30 A A E + 0 0 56 -3,-0.1 2,-0.3 -16,-0.1 -14,-0.2 -0.528 63.1 153.5 -66.3 134.0 31.2 39.4 25.0 31 31 A H E -B 15 0B 62 -16,-2.4 -16,-2.6 -2,-0.2 2,-0.4 -0.967 45.6 -94.6-155.1 168.7 32.8 39.8 21.6 32 32 A Q E -B 14 0B 101 -2,-0.3 2,-0.4 -18,-0.2 -18,-0.2 -0.795 35.2-172.8 -95.5 135.9 32.2 41.4 18.2 33 33 A V E -B 13 0B 49 -20,-2.7 -20,-2.9 -2,-0.4 2,-0.4 -0.952 27.1-115.5-123.9 141.9 30.7 39.3 15.4 34 34 A E E -B 12 0B 99 -2,-0.4 2,-0.3 -22,-0.2 -22,-0.2 -0.667 35.5-178.5 -79.1 132.4 30.3 40.4 11.8 35 35 A Q E -B 11 0B 38 -24,-3.1 -24,-2.7 -2,-0.4 2,-0.4 -0.956 13.8-142.4-128.1 146.0 26.7 40.7 10.7 36 36 A A E -BD 10 52B 0 16,-2.4 16,-2.1 -2,-0.3 2,-0.5 -0.886 5.7-159.1-115.4 143.8 25.4 41.6 7.2 37 37 A M E -BD 9 51B 4 -28,-2.5 -28,-2.3 -2,-0.4 2,-0.4 -0.981 9.8-154.1-117.3 121.0 22.5 43.8 6.1 38 38 A L E -BD 8 50B 0 12,-3.0 12,-1.8 -2,-0.5 2,-0.4 -0.799 12.6-167.8 -89.6 131.1 21.1 43.3 2.6 39 39 A T E -BD 7 49B 1 -32,-3.2 -32,-2.8 -2,-0.4 2,-0.5 -0.986 10.4-165.9-122.0 129.6 19.4 46.3 1.1 40 40 A V E -BD 6 48B 0 8,-2.3 8,-1.9 -2,-0.4 2,-0.4 -0.963 15.6-168.4-108.0 129.4 17.2 46.4 -2.1 41 41 A R E -BD 5 47B 38 -36,-2.5 -37,-2.6 -2,-0.5 -36,-1.8 -0.943 6.5-150.3-122.5 141.3 16.5 49.9 -3.4 42 42 A T E > -B 3 0B 1 4,-2.3 3,-2.3 -2,-0.4 -39,-0.2 -0.533 37.5 -92.2-103.7 174.3 14.0 51.1 -6.1 43 43 A E T 3 S+ 0 0 123 -41,-2.0 -40,-0.1 1,-0.3 -1,-0.0 0.759 123.8 52.8 -56.2 -29.9 14.1 54.0 -8.5 44 44 A D T 3 S- 0 0 93 -42,-0.2 -1,-0.3 2,-0.1 -3,-0.0 0.425 121.3-104.0 -90.6 0.8 12.2 56.3 -6.1 45 45 A G S < S+ 0 0 43 -3,-2.3 -2,-0.1 1,-0.3 2,-0.0 0.356 71.3 144.3 96.4 -5.5 14.6 55.6 -3.2 46 46 A Q - 0 0 68 -5,-0.1 -4,-2.3 1,-0.0 2,-0.3 -0.374 31.0-161.1 -65.4 145.8 12.5 53.2 -1.2 47 47 A E E -D 41 0B 60 -6,-0.2 2,-0.3 63,-0.1 -6,-0.2 -0.920 18.5-163.9-129.5 154.6 14.5 50.5 0.5 48 48 A G E -D 40 0B 0 -8,-1.9 -8,-2.3 -2,-0.3 2,-0.3 -0.969 17.9-166.2-129.6 149.8 13.9 47.1 2.1 49 49 A H E +D 39 0B 5 -2,-0.3 2,-0.3 -10,-0.2 -10,-0.2 -0.953 13.5 175.8-136.6 153.2 16.4 45.3 4.3 50 50 A S E -D 38 0B 3 -12,-1.8 -12,-3.0 -2,-0.3 2,-0.3 -0.980 22.7-127.6-153.8 156.0 17.1 42.0 5.9 51 51 A F E +D 37 0B 24 -2,-0.3 2,-0.3 -14,-0.2 -14,-0.2 -0.801 35.8 139.9-110.1 143.9 19.9 40.5 8.0 52 52 A T E -D 36 0B 6 -16,-2.1 -16,-2.4 -2,-0.3 5,-0.0 -0.952 55.2 -62.9-162.1 177.2 22.1 37.4 7.6 53 53 A A >> - 0 0 34 -2,-0.3 3,-1.4 -18,-0.2 4,-0.7 -0.504 49.3-117.5 -70.6 143.9 25.6 36.1 7.9 54 54 A P G >4 S+ 0 0 27 0, 0.0 3,-0.9 0, 0.0 -1,-0.1 0.807 111.0 58.4 -50.5 -40.4 28.2 37.9 5.7 55 55 A E G >4 S+ 0 0 51 1,-0.2 3,-1.1 2,-0.2 6,-0.2 0.816 98.3 60.7 -63.6 -28.8 29.1 34.7 3.7 56 56 A I G <4 S+ 0 0 0 -3,-1.4 -1,-0.2 1,-0.3 41,-0.1 0.760 117.9 28.6 -72.8 -23.5 25.5 34.3 2.6 57 57 A V G << S+ 0 0 2 -3,-0.9 -1,-0.3 -4,-0.7 -2,-0.2 -0.082 87.9 145.2-126.8 33.2 25.5 37.7 0.8 58 58 A R X> - 0 0 22 -3,-1.1 4,-2.2 -5,-0.1 3,-0.8 -0.231 67.0 -96.6 -69.1 162.8 29.2 37.9 -0.1 59 59 A P H 3> S+ 0 0 99 0, 0.0 4,-3.3 0, 0.0 5,-0.4 0.841 120.5 61.2 -54.8 -37.8 30.2 39.6 -3.4 60 60 A H H 3> S+ 0 0 49 1,-0.2 4,-2.0 2,-0.2 5,-0.3 0.916 111.9 38.6 -51.4 -46.7 30.5 36.3 -5.3 61 61 A V H <>>S+ 0 0 0 -3,-0.8 5,-1.9 2,-0.2 4,-1.8 0.903 117.4 49.1 -76.2 -40.9 26.8 35.6 -4.7 62 62 A I H <>S+ 0 0 8 -4,-2.2 5,-2.8 3,-0.2 6,-0.4 0.929 118.9 37.7 -62.4 -46.6 25.6 39.1 -5.0 63 63 A E H <5S+ 0 0 106 -4,-3.3 5,-0.2 -5,-0.2 -2,-0.2 0.892 121.0 42.3 -75.1 -40.0 27.4 39.7 -8.3 64 64 A K H <5S+ 0 0 87 -4,-2.0 -3,-0.2 -5,-0.4 -2,-0.2 0.815 135.8 0.5 -81.2 -29.1 26.9 36.3 -10.0 65 65 A F T X5S+ 0 0 4 -4,-1.8 4,-1.5 -5,-0.3 -3,-0.2 0.743 121.3 51.1-123.7 -59.4 23.3 35.7 -9.0 66 66 A V H >< S+ 0 0 0 -4,-2.6 3,-2.1 -5,-0.2 -67,-0.4 0.857 86.2 98.0 -83.8 -42.6 16.8 41.7 -9.4 71 71 A I T 3< S+ 0 0 65 -4,-2.2 -67,-0.2 -5,-0.3 3,-0.1 -0.304 97.5 9.8 -62.4 126.7 18.3 44.7 -11.1 72 72 A G T 3 S+ 0 0 39 -69,-3.1 -1,-0.3 1,-0.3 2,-0.2 0.429 103.2 118.4 89.9 0.5 15.8 46.4 -13.4 73 73 A E S < S- 0 0 67 -3,-2.1 -70,-2.7 -70,-0.2 2,-0.4 -0.645 76.0 -97.0-101.9 157.0 12.8 44.3 -12.3 74 74 A D B > -A 2 0A 33 -2,-0.2 3,-1.8 -72,-0.2 -72,-0.2 -0.574 31.7-140.8 -68.0 121.9 9.5 45.3 -10.7 75 75 A H T 3 S+ 0 0 10 -74,-2.7 -1,-0.1 -2,-0.4 37,-0.1 0.738 96.1 64.0 -61.7 -20.7 10.1 44.7 -6.9 76 76 A R T 3 S+ 0 0 155 1,-0.2 2,-1.8 -75,-0.2 3,-0.3 0.586 75.3 89.0 -81.9 -12.5 6.5 43.4 -6.5 77 77 A D <> + 0 0 44 -3,-1.8 4,-2.7 1,-0.2 5,-0.2 -0.275 48.4 149.3 -80.3 55.0 7.2 40.3 -8.8 78 78 A R H > + 0 0 54 -2,-1.8 4,-2.5 1,-0.2 -1,-0.2 0.837 67.7 51.5 -61.8 -36.8 8.4 38.3 -5.8 79 79 A E H > S+ 0 0 80 -3,-0.3 4,-2.4 2,-0.2 -1,-0.2 0.941 112.2 45.2 -65.7 -46.3 7.1 35.0 -7.2 80 80 A R H > S+ 0 0 143 2,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.927 116.1 46.5 -62.2 -44.6 8.9 35.5 -10.6 81 81 A L H X S+ 0 0 1 -4,-2.7 4,-2.1 2,-0.2 -2,-0.2 0.897 112.1 49.9 -67.4 -40.4 12.1 36.7 -8.9 82 82 A W H X S+ 0 0 6 -4,-2.5 4,-2.8 -5,-0.2 -1,-0.2 0.932 111.9 48.3 -62.4 -46.3 12.1 33.8 -6.4 83 83 A Q H X S+ 0 0 49 -4,-2.4 4,-2.4 1,-0.2 -2,-0.2 0.879 108.2 55.0 -63.1 -37.7 11.6 31.3 -9.2 84 84 A D H < S+ 0 0 70 -4,-2.2 4,-0.3 2,-0.2 -1,-0.2 0.924 112.2 42.8 -60.1 -45.4 14.4 32.9 -11.2 85 85 A L H >X S+ 0 0 3 -4,-2.1 3,-1.4 1,-0.2 4,-0.5 0.912 112.0 54.8 -66.7 -42.3 16.8 32.4 -8.3 86 86 A A H >X S+ 0 0 7 -4,-2.8 3,-1.3 1,-0.3 4,-0.5 0.902 105.1 52.6 -58.4 -40.7 15.5 28.9 -7.6 87 87 A H H 3< S+ 0 0 56 -4,-2.4 -1,-0.3 1,-0.3 4,-0.2 0.520 106.6 55.2 -76.3 -5.1 16.2 27.8 -11.2 88 88 A W H <4 S+ 0 0 42 -3,-1.4 -1,-0.3 -4,-0.3 -2,-0.2 0.488 86.7 80.3 -99.8 -6.8 19.8 29.0 -10.9 89 89 A Q H X<>S+ 0 0 26 -3,-1.3 3,-1.7 -4,-0.5 5,-0.5 0.911 84.4 59.2 -67.4 -43.5 20.6 27.0 -7.8 90 90 A R T 3<5S+ 0 0 73 -4,-0.5 3,-0.4 1,-0.3 -1,-0.2 0.886 113.1 37.9 -53.0 -42.1 21.3 23.7 -9.6 91 91 A G T 3 5S+ 0 0 25 313,-0.3 -1,-0.3 -4,-0.2 -2,-0.2 0.317 90.3 96.1 -94.7 10.9 24.0 25.2 -11.8 92 92 A S T X 5S- 0 0 1 -3,-1.7 3,-1.6 -4,-0.2 -1,-0.2 0.275 95.4-115.3 -87.5 9.3 25.5 27.5 -9.0 93 93 A A T 3 5S- 0 0 28 -3,-0.4 -2,-0.1 1,-0.3 -3,-0.1 0.875 73.3 -61.3 54.5 38.6 28.3 25.1 -8.0 94 94 A A T 3 - 0 0 15 -2,-1.1 4,-2.0 -41,-0.1 3,-0.4 -0.373 45.0-109.8 -94.9 165.7 21.9 28.5 -1.3 98 98 A D H > S+ 0 0 28 1,-0.2 4,-2.5 2,-0.2 5,-0.1 0.834 119.8 61.6 -58.7 -31.9 18.4 28.6 0.2 99 99 A R H > S+ 0 0 56 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.898 103.7 48.1 -61.0 -39.9 19.9 31.0 2.8 100 100 A T H > S+ 0 0 1 -3,-0.4 4,-1.9 1,-0.2 -2,-0.2 0.924 111.0 49.9 -68.1 -43.2 20.7 33.4 0.0 101 101 A L H X S+ 0 0 0 -4,-2.0 4,-2.9 1,-0.2 5,-0.2 0.910 109.0 54.7 -57.1 -40.4 17.2 33.1 -1.4 102 102 A A H X S+ 0 0 1 -4,-2.5 4,-2.6 1,-0.2 187,-0.3 0.924 107.9 45.4 -63.5 -46.1 15.7 33.7 2.0 103 103 A V H X S+ 0 0 4 -4,-1.9 4,-2.2 2,-0.2 -1,-0.2 0.887 115.0 49.1 -70.9 -35.2 17.5 37.0 2.7 104 104 A V H X S+ 0 0 2 -4,-1.9 4,-2.1 2,-0.2 -2,-0.2 0.959 112.1 47.2 -63.8 -51.8 16.6 38.2 -0.8 105 105 A D H X S+ 0 0 3 -4,-2.9 4,-2.2 1,-0.2 -2,-0.2 0.901 112.4 51.2 -56.2 -41.9 13.0 37.3 -0.5 106 106 A C H X S+ 0 0 0 -4,-2.6 4,-2.7 -5,-0.2 -1,-0.2 0.924 108.4 50.3 -63.6 -44.7 12.8 38.9 3.0 107 107 A A H X S+ 0 0 0 -4,-2.2 4,-2.5 1,-0.2 -1,-0.2 0.873 109.9 51.7 -61.2 -37.0 14.3 42.2 1.8 108 108 A L H X S+ 0 0 3 -4,-2.1 4,-2.0 2,-0.2 -1,-0.2 0.899 110.6 47.4 -68.2 -38.7 11.8 42.2 -1.1 109 109 A W H X S+ 0 0 18 -4,-2.2 4,-2.4 2,-0.2 -2,-0.2 0.922 112.1 50.0 -65.8 -42.5 8.9 41.7 1.3 110 110 A D H X S+ 0 0 1 -4,-2.7 4,-3.1 1,-0.2 5,-0.3 0.911 109.1 53.0 -60.6 -42.5 10.3 44.4 3.6 111 111 A L H X S+ 0 0 0 -4,-2.5 4,-2.5 1,-0.2 -1,-0.2 0.924 109.7 47.3 -58.9 -44.8 10.6 46.8 0.6 112 112 A A H X S+ 0 0 4 -4,-2.0 4,-1.4 2,-0.2 -2,-0.2 0.909 115.1 46.3 -65.7 -41.7 6.9 46.2 -0.4 113 113 A G H X>S+ 0 0 0 -4,-2.4 5,-2.6 2,-0.2 4,-1.1 0.933 114.1 45.5 -66.8 -48.8 5.8 46.8 3.2 114 114 A R H <5S+ 0 0 69 -4,-3.1 3,-0.4 251,-0.3 -2,-0.2 0.899 111.2 54.9 -59.6 -40.8 7.8 49.9 3.8 115 115 A S H <5S+ 0 0 27 -4,-2.5 -1,-0.2 -5,-0.3 -2,-0.2 0.855 117.9 34.4 -60.4 -35.0 6.8 51.3 0.4 116 116 A L H <5S- 0 0 111 -4,-1.4 -1,-0.2 2,-0.2 -2,-0.2 0.459 108.5-118.4-100.5 -5.0 3.1 50.9 1.3 117 117 A G T <5S+ 0 0 43 -4,-1.1 -3,-0.2 -3,-0.4 -4,-0.1 0.860 73.1 128.1 67.1 36.6 3.4 51.7 5.0 118 118 A Q < - 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