==== 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 23-OCT-09 3KE1 . COMPND 2 MOLECULE: 2-C-METHYL-D-ERYTHRITOL 2,4-CYCLODIPHOSPHATE SYNT . SOURCE 2 ORGANISM_SCIENTIFIC: BURKHOLDERIA PSEUDOMALLEI; . AUTHOR SEATTLE STRUCTURAL GENOMICS CENTER FOR INFECTIOUS DISEASE (S . 444 8 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14928.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 309 69.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 18 4.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 96 21.6 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 . 3 0.7 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 . 25 5.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 37 8.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 113 25.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 12 2.7 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 6 0 0 0 0 0 0 1 2 3 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 3 0 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 0 0 PARALLEL BRIDGES PER LADDER . 0 0 6 0 0 0 0 0 1 2 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 5 0 0 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 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 97 0, 0.0 2,-1.9 0, 0.0 150,-0.1 0.000 360.0 360.0 360.0 -30.6 9.1 -59.0 -20.3 2 2 A D + 0 0 35 148,-0.5 148,-2.7 149,-0.0 2,-0.2 -0.462 360.0 172.4 -86.9 74.1 8.6 -55.7 -22.1 3 3 A F E -A 149 0A 8 -2,-1.9 2,-0.3 146,-0.2 146,-0.2 -0.485 9.7-176.7 -86.9 151.4 10.6 -53.4 -19.8 4 4 A R E -A 148 0A 5 144,-2.5 144,-2.7 -2,-0.2 2,-0.3 -0.993 11.8-147.4-145.1 146.7 11.3 -49.7 -20.5 5 5 A I E -A 147 0A 4 -2,-0.3 2,-0.3 142,-0.2 142,-0.2 -0.837 12.0-173.3-115.1 151.1 13.3 -47.1 -18.7 6 6 A G E -A 146 0A 1 140,-2.5 140,-2.2 -2,-0.3 2,-0.3 -0.970 6.4-158.2-135.3 159.4 12.8 -43.3 -18.4 7 7 A Q E -A 145 0A 20 -2,-0.3 2,-0.3 138,-0.2 138,-0.2 -0.955 7.7-166.0-136.8 153.7 14.7 -40.4 -17.0 8 8 A G E -A 144 0A 1 136,-2.3 136,-2.5 -2,-0.3 2,-0.4 -0.991 6.8-172.3-146.7 145.2 13.7 -36.9 -15.9 9 9 A Y E +A 143 0A 3 -2,-0.3 2,-0.3 134,-0.2 134,-0.2 -0.993 11.2 166.1-136.8 141.1 15.3 -33.6 -15.0 10 10 A D E -A 142 0A 10 132,-2.2 132,-3.0 -2,-0.4 2,-0.3 -0.983 8.2-178.0-153.5 147.1 13.8 -30.5 -13.6 11 11 A V E -A 141 0A 1 -2,-0.3 2,-0.3 130,-0.2 130,-0.2 -0.984 3.3-177.1-143.1 143.7 15.0 -27.3 -12.0 12 12 A H E -A 140 0A 11 128,-1.9 128,-2.2 -2,-0.3 2,-0.1 -0.989 29.6-108.8-136.8 150.3 13.3 -24.2 -10.5 13 13 A Q E -A 139 0A 61 21,-0.5 21,-2.4 -2,-0.3 2,-0.6 -0.462 27.8-128.9 -73.0 146.6 14.4 -20.9 -9.0 14 14 A L E +E 33 0B 13 124,-2.3 19,-0.2 19,-0.2 -1,-0.0 -0.902 37.9 170.2 -98.5 116.6 14.0 -20.4 -5.3 15 15 A V E > -E 32 0B 32 17,-3.3 17,-3.3 -2,-0.6 3,-0.8 -0.893 33.7-106.0-126.4 156.8 12.2 -17.1 -4.5 16 16 A P E 3 S+E 31 0B 102 0, 0.0 15,-0.2 0, 0.0 14,-0.1 -0.460 97.4 36.3 -79.4 155.0 10.8 -15.4 -1.4 17 17 A G T 3 S+ 0 0 82 13,-0.7 14,-0.1 1,-0.3 13,-0.0 0.422 93.2 100.3 86.0 -3.0 7.0 -15.3 -0.9 18 18 A R S < S- 0 0 74 -3,-0.8 -1,-0.3 14,-0.1 2,-0.1 -0.921 76.7-119.1-106.7 140.3 6.3 -18.7 -2.4 19 19 A P - 0 0 82 0, 0.0 2,-0.6 0, 0.0 14,-0.5 -0.467 30.9-111.8 -73.8 153.4 5.7 -21.7 -0.1 20 20 A L E +F 27 0C 1 7,-0.6 7,-3.1 9,-0.3 2,-0.5 -0.800 40.9 172.4 -92.0 117.0 8.3 -24.5 -0.5 21 21 A I E +F 26 0C 31 -2,-0.6 20,-0.4 17,-0.3 2,-0.4 -0.972 5.7 159.6-130.0 112.0 6.7 -27.7 -2.0 22 22 A I E > S-F 25 0C 0 3,-1.8 3,-1.7 -2,-0.5 18,-0.1 -0.994 75.5 -0.8-133.3 128.7 8.8 -30.7 -3.0 23 23 A G T 3 S- 0 0 0 -2,-0.4 86,-0.3 1,-0.3 87,-0.2 0.791 129.0 -62.8 65.8 26.9 7.4 -34.2 -3.4 24 24 A G T 3 S+ 0 0 21 1,-0.2 2,-0.5 85,-0.1 -1,-0.3 0.400 110.7 125.3 76.9 -1.5 4.0 -32.8 -2.4 25 25 A V E < -F 22 0C 20 -3,-1.7 -3,-1.8 77,-0.0 2,-0.7 -0.782 58.4-141.2 -92.5 123.8 5.5 -31.9 1.0 26 26 A T E -F 21 0C 95 -2,-0.5 -5,-0.2 -5,-0.2 -3,-0.0 -0.763 24.3-159.6 -81.8 114.6 5.1 -28.3 2.2 27 27 A I E -F 20 0C 4 -7,-3.1 -7,-0.6 -2,-0.7 2,-0.1 -0.892 21.2-114.3-103.8 124.1 8.4 -27.6 3.9 28 28 A P + 0 0 108 0, 0.0 2,-0.3 0, 0.0 -1,-0.0 -0.321 63.1 129.0 -54.3 124.9 8.8 -24.7 6.4 29 29 A Y - 0 0 76 -2,-0.1 -9,-0.3 68,-0.0 -2,-0.0 -0.885 66.8-115.7 178.7 147.5 11.2 -22.3 4.8 30 30 A E S S+ 0 0 90 -2,-0.3 -13,-0.7 -11,-0.1 2,-0.3 0.433 97.8 39.1 -78.5 -3.7 11.4 -18.5 4.0 31 31 A R E -E 16 0B 66 -15,-0.2 2,-0.3 -14,-0.1 -11,-0.2 -0.907 65.0-167.2-137.5 165.4 11.5 -19.1 0.2 32 32 A G E -E 15 0B 0 -17,-3.3 -17,-3.3 -2,-0.3 -12,-0.3 -0.912 33.8 -74.5-146.2 179.3 9.8 -21.5 -2.3 33 33 A L E -E 14 0B 1 -14,-0.5 2,-0.5 -2,-0.3 -19,-0.2 -0.532 38.3-135.5 -84.9 140.7 10.0 -22.6 -6.0 34 34 A L + 0 0 68 -21,-2.4 -21,-0.5 -2,-0.2 2,-0.3 -0.816 46.1 118.7 -95.7 128.0 8.9 -20.4 -8.9 35 35 A G S S- 0 0 14 -2,-0.5 -23,-0.0 2,-0.3 5,-0.0 -0.968 72.4 -97.5-171.1 170.0 6.8 -21.9 -11.7 36 36 A H S S+ 0 0 119 -2,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.869 114.9 34.7 -66.2 -35.4 3.4 -21.6 -13.5 37 37 A S S S- 0 0 22 -3,-0.1 -2,-0.3 29,-0.0 29,-0.2 0.212 127.6 -65.6 -88.4-147.5 2.2 -24.6 -11.4 38 38 A D - 0 0 30 27,-1.6 -17,-0.3 -4,-0.1 -5,-0.2 0.468 68.1-130.3 -81.9 -3.1 3.1 -25.2 -7.7 39 39 A A + 0 0 0 1,-0.2 2,-1.3 26,-0.2 -18,-0.1 0.786 35.9 179.3 60.3 35.3 6.6 -25.8 -9.3 40 40 A D > - 0 0 0 1,-0.2 4,-2.5 -18,-0.1 -1,-0.2 -0.513 8.7-168.1 -69.9 97.2 7.2 -29.1 -7.5 41 41 A V H > S+ 0 0 0 -2,-1.3 4,-2.0 -20,-0.4 -1,-0.2 0.859 80.6 48.9 -61.3 -36.9 10.6 -29.8 -8.9 42 42 A L H > S+ 0 0 0 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.943 112.0 46.8 -70.2 -47.1 10.7 -33.4 -7.7 43 43 A L H > S+ 0 0 0 1,-0.2 4,-2.8 2,-0.2 -2,-0.2 0.888 111.1 54.0 -62.0 -38.5 7.2 -34.4 -9.0 44 44 A H H X S+ 0 0 12 -4,-2.5 4,-2.5 2,-0.2 -1,-0.2 0.918 108.7 47.2 -60.2 -48.5 8.0 -32.8 -12.4 45 45 A A H X S+ 0 0 0 -4,-2.0 4,-2.5 2,-0.2 99,-0.2 0.904 114.1 47.9 -58.0 -46.6 11.2 -34.8 -12.9 46 46 A I H X S+ 0 0 1 -4,-2.2 4,-2.3 2,-0.2 -2,-0.2 0.926 110.3 52.1 -61.1 -43.0 9.3 -38.0 -11.9 47 47 A T H X S+ 0 0 0 -4,-2.8 4,-2.8 2,-0.2 5,-0.2 0.931 110.6 48.5 -57.4 -47.8 6.4 -37.1 -14.3 48 48 A D H X S+ 0 0 0 -4,-2.5 4,-2.4 2,-0.2 -1,-0.2 0.918 109.1 52.3 -57.9 -48.1 8.9 -36.6 -17.1 49 49 A A H X S+ 0 0 0 -4,-2.5 4,-2.4 2,-0.2 -2,-0.2 0.893 112.0 47.8 -57.4 -36.9 10.7 -40.0 -16.3 50 50 A L H X S+ 0 0 0 -4,-2.3 4,-1.7 2,-0.2 -2,-0.2 0.948 112.5 45.6 -73.0 -44.7 7.3 -41.7 -16.5 51 51 A F H <>S+ 0 0 0 -4,-2.8 5,-3.2 1,-0.2 6,-0.4 0.877 115.0 51.5 -61.8 -37.1 6.2 -40.1 -19.8 52 52 A G H ><5S+ 0 0 0 -4,-2.4 3,-1.2 -5,-0.2 -2,-0.2 0.916 105.7 52.1 -67.0 -44.2 9.7 -40.9 -21.1 53 53 A A H 3<5S+ 0 0 1 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.884 115.7 42.4 -52.4 -43.1 9.6 -44.6 -20.1 54 54 A A T 3<5S- 0 0 6 -4,-1.7 -1,-0.3 -5,-0.2 -2,-0.2 0.411 111.4-122.7 -88.8 1.3 6.3 -44.9 -22.0 55 55 A A T < 5 + 0 0 11 -3,-1.2 -3,-0.2 -4,-0.2 217,-0.1 0.908 69.0 136.9 53.5 45.8 7.5 -42.8 -24.9 56 56 A L < - 0 0 30 -5,-3.2 2,-0.4 1,-0.3 -4,-0.2 0.070 64.9-117.6-105.9 20.0 4.6 -40.4 -24.4 57 57 A G - 0 0 7 -6,-0.4 -1,-0.3 -5,-0.1 2,-0.2 -0.649 50.4 -50.7 86.3-127.6 6.8 -37.3 -24.9 58 58 A D > - 0 0 21 -2,-0.4 4,-1.4 -3,-0.1 3,-0.2 -0.838 49.9 -88.7-148.5 176.9 7.1 -34.9 -21.9 59 59 A I H > S+ 0 0 24 -2,-0.2 4,-2.5 1,-0.2 -1,-0.0 0.855 120.2 54.0 -65.7 -34.7 5.3 -32.9 -19.3 60 60 A G H 4 S+ 0 0 55 216,-0.2 -1,-0.2 1,-0.2 217,-0.0 0.862 104.6 56.0 -69.8 -33.5 4.8 -29.7 -21.5 61 61 A R H 4 S+ 0 0 152 -3,-0.2 -1,-0.2 1,-0.2 -2,-0.2 0.927 119.4 31.5 -57.5 -41.9 3.2 -31.9 -24.2 62 62 A H H < 0 0 36 -4,-1.4 -2,-0.2 -6,-0.0 -1,-0.2 0.753 360.0 360.0 -92.0 -29.7 0.6 -33.1 -21.7 63 63 A F < 0 0 84 -4,-2.5 -5,-0.0 -5,-0.2 7,-0.0 -0.360 360.0 360.0-135.2 360.0 -0.0 -30.3 -19.2 64 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 65 73 A A 0 0 79 0, 0.0 -27,-1.6 0, 0.0 2,-0.6 0.000 360.0 360.0 360.0 126.4 -1.7 -26.6 -10.9 66 74 A D > - 0 0 88 1,-0.2 4,-1.7 -29,-0.2 3,-0.3 -0.630 360.0-151.9 -68.7 115.1 -1.3 -29.1 -8.1 67 75 A S H > S+ 0 0 1 -2,-0.6 4,-2.7 1,-0.2 -1,-0.2 0.760 94.1 60.2 -64.7 -24.1 1.7 -31.2 -9.3 68 76 A R H > S+ 0 0 53 2,-0.2 4,-2.8 1,-0.2 -1,-0.2 0.911 104.1 48.7 -66.3 -42.1 0.3 -34.2 -7.5 69 77 A A H > S+ 0 0 40 -3,-0.3 4,-2.3 2,-0.2 -2,-0.2 0.896 112.3 49.5 -62.8 -39.9 -2.8 -34.1 -9.6 70 78 A L H X S+ 0 0 33 -4,-1.7 4,-3.0 2,-0.2 -2,-0.2 0.939 110.4 50.7 -63.0 -44.1 -0.5 -33.8 -12.7 71 79 A L H X S+ 0 0 0 -4,-2.7 4,-2.6 1,-0.2 -2,-0.2 0.936 110.7 48.2 -59.0 -47.0 1.5 -36.8 -11.4 72 80 A R H X S+ 0 0 107 -4,-2.8 4,-2.4 2,-0.2 -1,-0.2 0.888 112.6 48.2 -62.5 -40.3 -1.7 -38.9 -11.0 73 81 A E H X S+ 0 0 76 -4,-2.3 4,-2.6 2,-0.2 -2,-0.2 0.916 110.2 52.4 -66.6 -41.2 -2.9 -38.0 -14.5 74 82 A C H X S+ 0 0 0 -4,-3.0 4,-2.9 2,-0.2 -2,-0.2 0.952 111.4 47.2 -54.0 -49.5 0.5 -38.9 -15.9 75 83 A A H X S+ 0 0 11 -4,-2.6 4,-2.8 1,-0.2 -2,-0.2 0.890 109.6 53.0 -61.6 -42.6 0.3 -42.2 -14.2 76 84 A S H X S+ 0 0 62 -4,-2.4 4,-2.1 2,-0.2 -1,-0.2 0.913 111.9 45.4 -57.7 -45.0 -3.2 -42.7 -15.5 77 85 A R H X S+ 0 0 82 -4,-2.6 4,-2.0 2,-0.2 -2,-0.2 0.882 111.4 52.0 -69.8 -38.9 -2.0 -42.0 -19.1 78 86 A V H <>S+ 0 0 1 -4,-2.9 5,-2.0 2,-0.2 4,-0.3 0.930 112.0 47.4 -58.9 -45.3 1.0 -44.3 -18.6 79 87 A A H ><5S+ 0 0 62 -4,-2.8 3,-1.2 1,-0.2 -2,-0.2 0.882 110.0 53.0 -62.1 -38.6 -1.4 -47.1 -17.4 80 88 A Q H 3<5S+ 0 0 163 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.842 101.8 58.1 -70.2 -32.3 -3.7 -46.3 -20.4 81 89 A A T 3<5S- 0 0 27 -4,-2.0 -1,-0.3 -5,-0.1 -2,-0.2 0.531 128.0-101.0 -68.6 -9.8 -0.8 -46.8 -22.8 82 90 A G T < 5S+ 0 0 24 -3,-1.2 69,-2.4 -4,-0.3 2,-0.4 0.591 78.9 129.3 103.0 15.2 -0.5 -50.3 -21.3 83 91 A F E < -B 150 0A 9 -5,-2.0 2,-0.4 67,-0.3 -1,-0.3 -0.810 42.8-154.0-106.1 140.0 2.4 -49.9 -18.9 84 92 A A E -B 149 0A 29 65,-2.9 65,-2.3 -2,-0.4 2,-0.5 -0.912 26.6-122.8 -99.8 139.8 2.7 -50.9 -15.2 85 93 A I E -B 148 0A 24 -2,-0.4 63,-0.3 63,-0.2 3,-0.1 -0.723 27.7-179.2 -81.3 128.7 5.2 -48.9 -13.1 86 94 A R E - 0 0 57 61,-2.5 2,-0.3 -2,-0.5 62,-0.2 0.820 61.1 -17.4 -96.2 -42.1 7.8 -51.1 -11.4 87 95 A N E -B 147 0A 2 60,-1.7 60,-2.2 2,-0.0 2,-0.4 -0.985 47.2-152.7-163.0 158.2 9.9 -48.6 -9.6 88 96 A V E +Bc 146 121A 1 32,-1.9 34,-1.7 -2,-0.3 2,-0.3 -0.995 13.7 178.3-130.3 135.2 10.9 -44.9 -9.2 89 97 A D E +B 145 0A 0 56,-2.4 56,-2.5 -2,-0.4 2,-0.3 -0.936 11.2 167.0-130.0 160.7 14.2 -43.4 -7.9 90 98 A S E -B 144 0A 0 -2,-0.3 34,-1.6 32,-0.3 2,-0.4 -0.989 24.2-144.4-168.8 160.3 15.1 -39.8 -7.6 91 99 A T E -Bd 143 124A 0 52,-2.3 52,-2.3 -2,-0.3 2,-0.5 -0.998 6.5-156.5-137.7 134.3 17.4 -37.2 -6.2 92 100 A I E -Bd 142 125A 0 32,-2.7 34,-2.9 -2,-0.4 2,-0.6 -0.959 10.3-158.0-106.3 131.6 16.8 -33.7 -5.0 93 101 A I E +Bd 141 126A 0 48,-2.8 48,-2.0 -2,-0.5 2,-0.3 -0.934 30.1 144.8-112.8 114.5 19.8 -31.4 -5.1 94 102 A A - 0 0 7 32,-2.2 5,-0.1 -2,-0.6 46,-0.1 -0.996 46.8-148.3-149.1 140.0 19.5 -28.5 -2.7 95 103 A Q S S+ 0 0 107 39,-0.6 -1,-0.1 44,-0.4 40,-0.1 0.867 78.6 57.7 -72.3 -37.6 21.8 -26.4 -0.4 96 104 A A S S+ 0 0 20 2,-0.1 -1,-0.3 1,-0.1 2,-0.1 -0.963 78.7 26.3-158.5 161.1 19.0 -25.8 2.1 97 105 A P S S- 0 0 27 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.711 80.8 -99.7 -81.5-176.9 16.9 -26.6 4.0 98 106 A K - 0 0 77 1,-0.2 -2,-0.1 -2,-0.1 -3,-0.1 -0.493 38.1-174.6 -60.7 119.2 17.5 -30.0 5.5 99 107 A L >> + 0 0 10 -2,-0.3 3,-2.3 1,-0.1 4,-0.9 0.656 59.9 90.9 -94.8 -20.1 15.4 -32.3 3.5 100 108 A A G >4 S+ 0 0 81 1,-0.3 3,-0.9 2,-0.2 4,-0.5 0.844 83.2 54.3 -47.3 -46.9 16.0 -35.6 5.5 101 109 A P G 34 S+ 0 0 101 0, 0.0 -1,-0.3 0, 0.0 4,-0.2 0.657 115.1 42.3 -62.3 -14.2 13.1 -35.1 7.9 102 110 A H G <> S+ 0 0 45 -3,-2.3 4,-1.9 2,-0.1 -2,-0.2 0.494 87.8 90.7-109.9 -8.8 10.7 -34.8 4.9 103 111 A I H S+ 0 0 118 -4,-0.5 4,-2.0 1,-0.2 -1,-0.2 0.856 109.7 52.4 -60.2 -36.9 9.8 -40.4 3.9 105 113 A A H > S+ 0 0 45 2,-0.2 4,-2.1 -3,-0.2 -1,-0.2 0.893 109.7 48.2 -64.8 -41.8 6.7 -38.1 3.4 106 114 A M H X S+ 0 0 0 -4,-1.9 4,-2.4 2,-0.2 5,-0.2 0.959 110.7 51.6 -59.8 -49.6 7.7 -37.4 -0.2 107 115 A R H X S+ 0 0 37 -4,-2.6 4,-2.6 1,-0.2 -2,-0.2 0.897 110.2 49.7 -52.8 -44.7 8.2 -41.0 -0.8 108 116 A A H X S+ 0 0 44 -4,-2.0 4,-2.2 2,-0.2 -1,-0.2 0.845 108.8 50.5 -65.6 -40.8 4.7 -41.7 0.6 109 117 A N H X S+ 0 0 33 -4,-2.1 4,-2.9 -86,-0.3 -1,-0.2 0.911 112.6 47.2 -62.0 -46.1 3.0 -39.1 -1.6 110 118 A I H X S+ 0 0 0 -4,-2.4 4,-2.5 2,-0.2 5,-0.2 0.944 111.0 51.4 -65.2 -45.8 4.6 -40.5 -4.8 111 119 A A H X>S+ 0 0 7 -4,-2.6 5,-2.4 -5,-0.2 4,-0.9 0.930 112.0 47.7 -54.0 -47.3 3.7 -44.1 -3.8 112 120 A A H ><5S+ 0 0 66 -4,-2.2 3,-0.8 1,-0.2 -2,-0.2 0.951 113.8 46.0 -59.2 -50.5 0.1 -42.9 -3.3 113 121 A D H 3<5S+ 0 0 12 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.784 119.9 39.9 -66.8 -31.3 -0.0 -41.1 -6.6 114 122 A L H 3<5S- 0 0 12 -4,-2.5 -1,-0.3 -5,-0.2 -2,-0.2 0.451 106.6-125.8 -92.4 -7.4 1.6 -43.9 -8.5 115 123 A D T <<5 + 0 0 148 -4,-0.9 -3,-0.2 -3,-0.8 -4,-0.1 0.955 64.7 135.9 56.7 51.4 -0.3 -46.6 -6.6 116 124 A L < - 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