==== 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 LYASE 19-DEC-01 1KNW . COMPND 2 MOLECULE: DIAMINOPIMELATE DECARBOXYLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR V.LEVDIKOV,L.BLAGOVA,N.BOSE,C.MOMANY . 421 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 18671.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 282 67.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 46 10.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 40 9.5 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.5 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 . 1 0.2 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 . 32 7.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 39 9.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 101 24.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 1.4 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 1 2 0 0 0 3 3 1 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 2 7 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 PARALLEL BRIDGES PER LADDER . 2 0 0 3 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 0 ANTIPARALLEL BRIDGES PER LADDER . 2 0 1 0 1 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 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 P 0 0 51 0, 0.0 2,-0.1 0, 0.0 274,-0.0 0.000 360.0 360.0 360.0-176.8 31.5 53.5 53.6 2 3 A H - 0 0 29 273,-0.2 2,-0.3 1,-0.0 371,-0.0 -0.493 360.0-122.8 -81.0 144.9 30.8 56.7 51.8 3 4 A S >> - 0 0 64 -2,-0.1 3,-1.7 1,-0.1 4,-0.6 -0.759 17.6-128.6 -79.9 146.8 33.0 59.8 52.4 4 5 A L T 34 S+ 0 0 5 -2,-0.3 9,-2.0 1,-0.3 10,-0.2 0.553 110.5 53.1 -72.0 -8.3 31.0 62.8 53.6 5 6 A F T 34 S+ 0 0 83 7,-0.2 -1,-0.3 8,-0.1 7,-0.1 0.053 84.9 85.3-113.2 18.3 32.7 64.8 50.8 6 7 A S T <4 - 0 0 48 -3,-1.7 -2,-0.1 5,-0.2 -1,-0.1 0.923 67.9-169.2 -76.5 -53.8 31.8 62.4 48.0 7 8 A T < + 0 0 89 -4,-0.6 -3,-0.1 4,-0.1 5,-0.1 0.897 49.4 115.3 62.1 43.9 28.4 64.0 47.5 8 9 A D S S+ 0 0 129 3,-0.1 2,-0.1 0, 0.0 4,-0.1 0.716 80.7 40.1 -97.6 -33.4 26.9 61.4 45.2 9 10 A T S S- 0 0 15 2,-0.1 3,-0.1 1,-0.0 22,-0.0 -0.285 97.3-104.2 -97.0-174.6 24.3 60.6 47.9 10 11 A D S S+ 0 0 27 1,-0.2 2,-1.1 -2,-0.1 387,-0.1 0.439 98.2 95.1 -90.2 1.6 22.4 62.9 50.2 11 12 A L + 0 0 0 4,-0.1 -1,-0.2 -8,-0.1 -5,-0.2 -0.307 58.4 136.4 -89.8 54.6 24.6 61.9 53.1 12 13 A T > - 0 0 14 -2,-1.1 4,-2.7 -3,-0.1 5,-0.2 -0.434 67.0-101.5 -96.5 175.2 27.1 64.8 52.8 13 14 A A H > S+ 0 0 20 -9,-2.0 4,-2.2 2,-0.2 5,-0.2 0.876 119.7 42.4 -62.9 -51.1 28.7 67.0 55.3 14 15 A E H > S+ 0 0 139 -10,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.926 116.3 51.9 -65.3 -40.7 26.5 70.1 55.0 15 16 A N H > S+ 0 0 38 1,-0.2 4,-0.8 2,-0.2 -2,-0.2 0.908 112.8 43.2 -60.7 -44.5 23.5 67.9 54.8 16 17 A L H >< S+ 0 0 0 -4,-2.7 3,-0.6 1,-0.2 -1,-0.2 0.898 107.7 57.9 -73.0 -35.8 24.4 66.0 58.0 17 18 A L H 3X S+ 0 0 31 -4,-2.2 4,-0.6 1,-0.2 -1,-0.2 0.888 107.1 48.3 -64.2 -39.3 25.4 69.0 60.1 18 19 A R H 3X S+ 0 0 97 -4,-1.5 4,-1.6 1,-0.2 -1,-0.2 0.754 95.8 75.3 -73.3 -20.5 22.0 70.7 59.7 19 20 A L H S+ 0 0 7 0, 0.0 4,-2.0 0, 0.0 -1,-0.2 0.890 108.5 53.9 -61.4 -33.3 20.4 67.6 64.3 21 22 A A H < S+ 0 0 91 -4,-0.6 -2,-0.2 2,-0.2 -3,-0.1 0.903 117.4 36.3 -66.8 -40.1 19.4 71.3 64.5 22 23 A E H < S+ 0 0 126 -4,-1.6 -1,-0.2 -3,-0.2 -3,-0.1 0.931 132.7 22.5 -77.4 -48.1 16.1 70.6 62.7 23 24 A F H < S- 0 0 40 -4,-3.1 -2,-0.2 1,-0.3 -1,-0.1 0.431 108.6-104.6-104.7 -10.1 15.2 67.2 64.0 24 25 A G < - 0 0 27 -4,-2.0 -1,-0.3 -5,-0.4 -2,-0.1 -0.258 46.6 -56.6 106.0 169.4 17.0 66.8 67.3 25 26 A C S S+ 0 0 30 -2,-0.1 2,-0.1 -4,-0.1 256,-0.1 -0.993 106.0 31.0-150.7 138.1 20.0 64.8 68.4 26 27 A P S S+ 0 0 5 0, 0.0 2,-0.3 0, 0.0 255,-0.2 0.573 84.0 165.3 -76.7 169.6 20.9 62.1 68.4 27 28 A V E -A 280 0A 0 253,-1.7 253,-2.3 -2,-0.1 2,-0.4 -0.991 36.0-127.5-155.2 139.2 19.1 61.0 65.2 28 29 A W E -Ab 279 393A 0 364,-2.3 366,-2.3 -2,-0.3 2,-0.4 -0.731 27.6-167.2 -85.5 137.0 19.0 58.2 62.7 29 30 A V E -Ab 278 394A 0 249,-2.7 249,-2.8 -2,-0.4 2,-0.3 -0.983 4.4-171.3-129.3 138.2 19.2 59.3 59.0 30 31 A Y E -Ab 277 395A 2 364,-2.3 366,-4.0 -2,-0.4 2,-0.7 -0.955 18.1-141.1-128.7 146.4 18.6 57.2 55.9 31 32 A D E >> - b 0 396A 1 245,-2.0 4,-1.3 -2,-0.3 3,-0.8 -0.917 9.2-158.6-110.2 107.3 19.1 57.8 52.2 32 33 A A H 3> S+ 0 0 0 364,-3.2 4,-2.3 -2,-0.7 365,-0.2 0.792 88.8 57.3 -51.3 -41.2 16.2 56.4 50.1 33 34 A Q H 3> S+ 0 0 112 363,-0.3 4,-2.6 2,-0.2 -1,-0.2 0.861 100.7 56.7 -68.0 -30.6 18.2 56.2 46.9 34 35 A I H <> S+ 0 0 8 -3,-0.8 4,-2.3 2,-0.2 -1,-0.2 0.941 108.1 48.7 -64.8 -39.1 20.9 54.0 48.4 35 36 A I H X S+ 0 0 0 -4,-1.3 4,-2.6 2,-0.2 -2,-0.2 0.967 110.5 50.3 -62.7 -45.3 18.1 51.5 49.3 36 37 A R H X S+ 0 0 44 -4,-2.3 4,-2.3 1,-0.3 -1,-0.2 0.894 109.0 53.3 -59.6 -40.3 16.8 51.7 45.8 37 38 A R H X S+ 0 0 111 -4,-2.6 4,-1.3 1,-0.2 -1,-0.3 0.899 109.3 47.3 -60.5 -45.5 20.3 51.1 44.5 38 39 A Q H < S+ 0 0 15 -4,-2.3 4,-0.4 234,-0.3 -2,-0.2 0.879 110.5 53.1 -63.5 -37.5 20.6 47.9 46.7 39 40 A I H >< S+ 0 0 14 -4,-2.6 3,-1.7 1,-0.2 -2,-0.2 0.952 106.1 53.4 -63.0 -40.6 17.2 46.7 45.5 40 41 A A H >< S+ 0 0 59 -4,-2.3 3,-1.8 1,-0.3 -1,-0.2 0.818 96.9 65.8 -66.1 -31.1 18.2 47.1 41.9 41 42 A A T 3< S+ 0 0 31 -4,-1.3 -1,-0.3 1,-0.3 3,-0.2 0.665 102.9 48.5 -65.0 -18.1 21.4 45.0 42.4 42 43 A L T X S+ 0 0 0 -3,-1.7 3,-1.8 -4,-0.4 -1,-0.3 0.145 72.8 121.3-108.7 25.7 19.1 42.0 43.1 43 44 A K T < + 0 0 179 -3,-1.8 -1,-0.1 1,-0.3 -2,-0.1 0.705 63.0 68.0 -63.2 -23.6 16.8 42.5 40.0 44 45 A Q T 3 S+ 0 0 75 -3,-0.2 -1,-0.3 -4,-0.1 2,-0.1 0.759 82.4 90.0 -64.9 -32.4 17.6 39.0 38.6 45 46 A F S < S- 0 0 11 -3,-1.8 3,-0.1 1,-0.1 220,-0.1 -0.457 78.0-135.2 -69.0 144.3 15.8 37.3 41.5 46 47 A D S S+ 0 0 86 218,-0.9 2,-0.4 1,-0.2 219,-0.2 0.899 92.2 19.2 -59.2 -46.9 12.1 36.6 41.0 47 48 A V E -f 265 0B 16 217,-1.8 219,-2.2 2,-0.0 2,-0.6 -0.998 60.0-163.2-130.9 130.1 11.3 37.9 44.5 48 49 A V E -f 266 0B 16 -2,-0.4 22,-2.5 20,-0.3 2,-0.7 -0.984 17.1-168.5-107.6 111.0 13.3 40.1 46.8 49 50 A R E -g 70 0B 1 217,-3.0 22,-0.3 -2,-0.6 2,-0.3 -0.924 16.2-137.3-106.5 102.3 11.8 39.6 50.3 50 51 A F E -g 71 0B 0 20,-2.8 22,-2.7 -2,-0.7 2,-1.4 -0.475 6.4-136.6 -64.7 128.2 13.1 42.2 52.7 51 52 A A E > -g 72 0B 12 217,-2.5 3,-2.0 -2,-0.3 4,-0.2 -0.685 20.8-164.4 -81.4 91.7 13.9 40.9 56.2 52 53 A Q G > S+ 0 0 0 -2,-1.4 3,-1.6 20,-1.2 -1,-0.2 0.674 73.7 82.0 -63.9 -11.3 12.3 43.8 58.0 53 54 A K G 3 S+ 0 0 87 19,-0.3 -1,-0.3 1,-0.3 3,-0.2 0.738 85.9 62.6 -64.5 -17.6 14.0 43.0 61.3 54 55 A A G < S- 0 0 1 -3,-2.0 323,-2.3 1,-0.3 324,-0.6 0.779 130.8 -8.8 -74.9 -26.5 17.0 44.9 59.9 55 56 A C < + 0 0 2 -3,-1.6 -1,-0.3 -4,-0.2 -2,-0.1 -0.645 67.6 177.7-175.4 101.9 15.1 48.2 59.7 56 57 A S + 0 0 17 -3,-0.2 5,-0.1 -2,-0.2 -3,-0.1 0.337 25.4 138.5-104.7 -0.8 11.4 48.2 60.3 57 58 A N >> - 0 0 10 1,-0.2 4,-2.4 2,-0.1 3,-0.8 -0.307 55.3-132.3 -49.4 131.0 10.2 51.8 60.0 58 59 A I H 3> S+ 0 0 40 1,-0.3 4,-2.6 2,-0.2 -1,-0.2 0.785 104.9 57.3 -61.6 -27.3 6.9 51.6 58.1 59 60 A H H 3> S+ 0 0 47 345,-0.3 4,-1.7 2,-0.2 -1,-0.3 0.852 108.4 46.9 -71.7 -32.0 7.9 54.5 55.7 60 61 A I H <> S+ 0 0 0 -3,-0.8 4,-2.2 2,-0.2 -2,-0.2 0.918 111.3 51.9 -75.5 -32.4 11.0 52.4 54.8 61 62 A L H X S+ 0 0 0 -4,-2.4 4,-2.5 1,-0.2 -2,-0.2 0.908 107.6 52.4 -64.9 -40.3 8.7 49.4 54.4 62 63 A R H X S+ 0 0 90 -4,-2.6 4,-2.6 1,-0.2 -1,-0.2 0.899 107.1 52.6 -61.6 -41.1 6.4 51.5 52.1 63 64 A L H X S+ 0 0 7 -4,-1.7 4,-1.3 2,-0.2 -2,-0.2 0.907 108.5 50.7 -59.4 -44.7 9.5 52.4 50.0 64 65 A M H ><>S+ 0 0 0 -4,-2.2 5,-2.3 2,-0.2 3,-0.8 0.956 110.5 48.5 -55.2 -52.4 10.3 48.7 49.7 65 66 A R H ><5S+ 0 0 100 -4,-2.5 3,-2.2 1,-0.3 -2,-0.2 0.923 106.4 56.5 -60.7 -39.8 6.7 47.9 48.5 66 67 A E H 3<5S+ 0 0 136 -4,-2.6 -1,-0.3 1,-0.3 -2,-0.2 0.824 106.0 52.1 -56.7 -33.5 6.9 50.7 46.0 67 68 A Q T <<5S- 0 0 83 -4,-1.3 -1,-0.3 -3,-0.8 -2,-0.2 0.335 124.3-104.5 -88.4 6.1 9.9 49.1 44.5 68 69 A G T < 5S+ 0 0 58 -3,-2.2 -20,-0.3 1,-0.3 2,-0.3 0.573 73.4 145.7 83.1 15.3 8.1 45.7 44.2 69 70 A V < - 0 0 3 -5,-2.3 -1,-0.3 -6,-0.2 -20,-0.2 -0.622 37.0-147.7 -87.2 133.5 10.0 44.2 47.2 70 71 A K E -g 49 0B 54 -22,-2.5 -20,-2.8 -2,-0.3 2,-0.4 -0.289 16.2-120.2 -91.6-176.7 8.0 41.8 49.4 71 72 A V E -gh 50 96B 0 24,-2.5 26,-1.6 -22,-0.3 2,-0.5 -0.959 10.2-152.5-138.0 142.7 8.4 41.4 53.1 72 73 A D E -gh 51 97B 6 -22,-2.7 -20,-1.2 -2,-0.4 2,-0.4 -0.980 17.8-163.6-106.5 125.8 9.3 38.8 55.7 73 74 A S E - h 0 98B 0 24,-2.8 26,-3.0 -2,-0.5 3,-0.1 -0.871 12.7-175.3-110.4 136.8 7.9 39.2 59.2 74 75 A V + 0 0 56 -2,-0.4 2,-0.3 24,-0.2 -1,-0.1 0.323 68.9 28.8-115.3 8.6 9.3 37.4 62.2 75 76 A S S > S- 0 0 50 1,-0.1 4,-1.6 25,-0.1 3,-0.1 -0.970 84.5-103.5-155.5 166.7 6.8 38.5 64.9 76 77 A L H > S+ 0 0 48 -2,-0.3 4,-2.3 1,-0.2 3,-0.4 0.939 122.3 56.7 -62.3 -39.8 3.2 39.6 65.3 77 78 A G H > S+ 0 0 45 1,-0.3 4,-2.2 2,-0.2 -1,-0.2 0.862 105.3 50.3 -56.8 -42.1 4.5 43.2 65.6 78 79 A E H > S+ 0 0 19 2,-0.2 4,-2.2 1,-0.2 -1,-0.3 0.811 106.3 55.9 -69.1 -30.2 6.3 42.9 62.2 79 80 A I H X S+ 0 0 0 -4,-1.6 4,-2.3 -3,-0.4 -2,-0.2 0.960 108.7 47.1 -62.8 -45.3 3.0 41.6 60.7 80 81 A E H X S+ 0 0 72 -4,-2.3 4,-2.9 1,-0.2 -2,-0.2 0.918 109.7 53.8 -65.1 -38.9 1.3 44.7 61.9 81 82 A R H X S+ 0 0 100 -4,-2.2 4,-1.4 1,-0.2 -1,-0.2 0.937 108.6 49.2 -58.6 -47.8 4.1 46.9 60.5 82 83 A A H <>S+ 0 0 0 -4,-2.2 5,-2.1 1,-0.2 3,-0.3 0.902 111.3 49.0 -59.1 -44.4 3.8 45.3 57.1 83 84 A L H ><5S+ 0 0 44 -4,-2.3 3,-1.9 1,-0.2 -1,-0.2 0.917 108.0 54.3 -62.8 -39.6 0.0 45.9 57.1 84 85 A A H 3<5S+ 0 0 48 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.787 104.3 57.0 -63.7 -26.4 0.6 49.5 58.1 85 86 A A T 3<5S- 0 0 1 -4,-1.4 -1,-0.3 -3,-0.3 -2,-0.2 0.329 126.4 -98.3 -87.7 3.9 2.9 49.8 55.1 86 87 A G T < 5S+ 0 0 35 -3,-1.9 2,-0.2 1,-0.3 -3,-0.2 0.505 72.7 145.4 96.5 2.4 0.2 48.8 52.7 87 88 A Y < - 0 0 6 -5,-2.1 -1,-0.3 8,-0.0 -2,-0.1 -0.591 32.6-160.0 -69.1 142.2 1.0 45.1 52.2 88 89 A N > - 0 0 68 -2,-0.2 4,-2.9 4,-0.1 7,-0.2 -0.864 22.8-171.8-137.6 104.8 -2.3 43.2 51.8 89 90 A P T 4 S+ 0 0 9 0, 0.0 -1,-0.1 0, 0.0 6,-0.0 0.706 87.2 59.6 -63.1 -27.7 -2.7 39.5 52.3 90 91 A Q T 4 S+ 0 0 154 2,-0.2 -2,-0.0 1,-0.1 25,-0.0 0.953 118.1 26.9 -72.5 -44.6 -6.2 39.5 50.9 91 92 A T T 4 S+ 0 0 71 1,-0.3 -1,-0.1 -3,-0.2 0, 0.0 0.847 137.7 28.2 -83.6 -37.1 -5.3 40.8 47.5 92 93 A H >< - 0 0 106 -4,-2.9 3,-1.8 1,-0.1 4,-0.4 -0.753 66.6-174.5-129.8 93.4 -1.7 39.5 47.4 93 94 A P T 3 S+ 0 0 57 0, 0.0 3,-0.2 0, 0.0 -1,-0.1 0.645 82.1 47.4 -63.0 -23.9 -1.3 36.3 49.6 94 95 A D T 3 S+ 0 0 39 1,-0.1 -23,-0.2 -6,-0.1 3,-0.1 0.384 82.9 92.6-102.9 9.6 2.5 36.0 49.2 95 96 A D S < S+ 0 0 25 -3,-1.8 -24,-2.5 1,-0.2 2,-0.5 0.859 93.2 36.7 -71.3 -33.9 3.4 39.7 49.9 96 97 A I E -h 71 0B 1 -4,-0.4 2,-0.4 -3,-0.2 -24,-0.2 -0.987 68.1-175.2-115.8 130.4 3.9 38.9 53.6 97 98 A V E -h 72 0B 2 -26,-1.6 -24,-2.8 -2,-0.5 2,-0.6 -0.979 19.2-141.2-116.9 132.4 5.4 35.6 54.9 98 99 A F E -hi 73 118B 4 19,-2.6 21,-3.3 -2,-0.4 2,-0.5 -0.879 25.7-175.3 -93.4 120.6 5.5 35.0 58.7 99 100 A T E + i 0 119B 6 -26,-3.0 2,-0.3 -2,-0.6 21,-0.2 -0.975 19.4 118.0-123.8 124.4 8.8 33.3 59.5 100 101 A A E - i 0 120B 22 19,-1.7 21,-1.6 -2,-0.5 22,-0.2 -0.978 60.7-117.4-166.7 174.8 9.9 31.9 62.9 101 102 A D S S+ 0 0 10 -2,-0.3 2,-0.3 19,-0.2 24,-0.3 0.490 101.7 26.9 -94.6 -18.8 11.0 28.9 64.9 102 103 A V - 0 0 109 23,-0.1 2,-0.3 22,-0.1 -1,-0.1 -0.951 67.2-154.1-135.3 165.1 8.0 29.2 67.3 103 104 A I - 0 0 13 -2,-0.3 2,-0.2 -3,-0.1 25,-0.0 -0.990 10.2-149.4-143.1 133.3 4.5 30.7 67.1 104 105 A D > - 0 0 94 -2,-0.3 4,-2.6 1,-0.1 5,-0.2 -0.632 33.0 -98.1 -99.4 170.4 2.3 32.1 69.9 105 106 A Q H > S+ 0 0 110 1,-0.2 4,-2.4 -2,-0.2 5,-0.2 0.895 119.8 50.3 -53.9 -48.9 -1.4 32.1 70.2 106 107 A A H > S+ 0 0 52 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.893 113.1 47.6 -60.8 -39.4 -2.0 35.7 69.1 107 108 A T H > S+ 0 0 3 2,-0.2 4,-3.3 1,-0.2 5,-0.4 0.940 107.8 54.7 -68.4 -44.6 0.1 35.1 66.0 108 109 A L H X S+ 0 0 9 -4,-2.6 4,-2.3 1,-0.2 5,-0.2 0.933 111.1 46.6 -50.8 -48.0 -1.7 31.8 65.2 109 110 A E H X S+ 0 0 118 -4,-2.4 4,-2.6 2,-0.2 -1,-0.2 0.917 113.9 47.9 -64.1 -40.1 -5.0 33.7 65.2 110 111 A R H X S+ 0 0 59 -4,-2.1 4,-2.3 -5,-0.2 -2,-0.2 0.937 114.1 43.9 -69.2 -46.1 -3.6 36.5 63.1 111 112 A V H X>S+ 0 0 0 -4,-3.3 5,-1.5 2,-0.2 4,-0.9 0.876 115.7 49.3 -71.3 -29.6 -2.0 34.3 60.4 112 113 A S H <5S+ 0 0 28 -4,-2.3 3,-0.5 -5,-0.4 -2,-0.2 0.959 112.2 48.7 -66.9 -49.8 -5.1 32.1 60.3 113 114 A E H <5S+ 0 0 124 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.886 122.5 31.8 -55.0 -47.7 -7.4 35.1 60.0 114 115 A L H <5S- 0 0 45 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.451 102.6-125.9 -92.7 -6.0 -5.5 36.7 57.2 115 116 A Q T <5 + 0 0 95 -4,-0.9 -3,-0.2 -3,-0.5 -4,-0.1 0.943 43.4 174.1 55.6 49.3 -4.2 33.6 55.5 116 117 A I < - 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