==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=3-JUN-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 16-MAY-11 3S20 . COMPND 2 MOLECULE: 3-OXOACYL-[ACP] SYNTHASE III; . SOURCE 2 ORGANISM_SCIENTIFIC: XANTHOMONAS CAMPESTRIS PV. CAMPESTRIS; . AUTHOR B.R.GOBLIRSCH,C.M.WILMOT . 670 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 25435.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 494 73.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 38 5.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 102 15.2 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 . 2 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.1 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 . 2 0.3 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 . 35 5.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 69 10.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 202 30.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 19 2.8 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 0 0 1 1 2 1 5 0 1 1 2 2 0 0 0 0 0 2 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 0 0 4 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 PARALLEL BRIDGES PER LADDER . 3 0 2 2 0 0 0 6 2 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 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 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 15 A V 0 0 147 0, 0.0 2,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 110.0 -33.7 30.9 16.6 2 16 A P - 0 0 128 0, 0.0 2,-0.2 0, 0.0 0, 0.0 -0.344 360.0-166.5 -62.2 132.6 -34.1 30.0 12.9 3 17 A R - 0 0 205 1,-0.1 2,-0.1 -2,-0.1 0, 0.0 -0.744 17.9-108.5-116.6 166.7 -30.8 28.9 11.2 4 18 A G - 0 0 56 -2,-0.2 -1,-0.1 1,-0.1 0, 0.0 -0.320 27.5-113.5 -84.8 172.9 -29.7 28.5 7.6 5 19 A S > - 0 0 58 -2,-0.1 3,-1.5 1,-0.0 -1,-0.1 0.644 37.0-133.2 -77.7 -15.1 -28.9 25.2 5.9 6 20 A H T 3 - 0 0 98 1,-0.3 -1,-0.0 2,-0.0 251,-0.0 0.695 62.0 -74.4 62.2 17.8 -25.3 26.2 5.7 7 21 A M T 3 S+ 0 0 82 1,-0.2 -1,-0.3 205,-0.0 206,-0.2 0.670 90.1 153.0 69.6 19.9 -25.8 25.0 2.1 8 22 A L < - 0 0 19 -3,-1.5 -1,-0.2 249,-0.1 204,-0.2 -0.475 54.0 -89.6 -72.7 153.4 -25.8 21.3 3.1 9 23 A F - 0 0 16 202,-2.5 2,-0.4 -2,-0.1 3,-0.2 -0.403 38.5-154.4 -72.5 136.2 -27.8 19.1 0.7 10 24 A Q + 0 0 116 1,-0.2 3,-0.1 -2,-0.2 191,-0.1 -0.897 70.0 1.3-110.1 139.6 -31.5 18.5 1.3 11 25 A N S S+ 0 0 70 -2,-0.4 190,-2.3 1,-0.2 2,-0.5 0.818 87.5 134.2 56.5 37.5 -33.4 15.4 0.1 12 26 A V E +A 200 0A 1 198,-0.3 198,-2.5 188,-0.2 2,-0.3 -0.977 31.5 180.0-114.6 128.5 -30.4 13.7 -1.5 13 27 A S E -AB 199 209A 0 186,-2.9 186,-2.3 -2,-0.5 2,-0.7 -0.806 34.8-117.9-127.2 163.7 -30.1 10.0 -0.6 14 28 A I E +A 198 0A 6 194,-2.5 184,-0.3 -2,-0.3 3,-0.1 -0.900 30.4 176.4-102.0 106.7 -27.9 7.0 -1.3 15 29 A A E - 0 0 18 182,-1.9 2,-0.3 -2,-0.7 183,-0.2 0.741 64.7 -0.2 -83.4 -25.6 -30.1 4.4 -3.1 16 30 A G E -A 197 0A 2 181,-1.8 181,-2.6 66,-0.1 2,-0.3 -0.984 57.2-171.9-165.3 152.7 -27.5 1.8 -3.7 17 31 A L E +A 196 0A 6 -2,-0.3 2,-0.3 179,-0.2 179,-0.2 -0.990 9.9 168.8-152.1 142.8 -23.8 1.1 -3.2 18 32 A A E -A 195 0A 2 177,-2.1 177,-2.2 -2,-0.3 2,-0.3 -0.993 12.5-162.4-154.0 156.6 -21.4 -1.6 -4.4 19 33 A H E -A 194 0A 7 -2,-0.3 2,-0.4 175,-0.2 175,-0.3 -0.955 9.7-147.6-134.8 157.5 -17.7 -2.5 -4.5 20 34 A I E -A 193 0A 24 173,-2.6 173,-1.8 -2,-0.3 2,-0.5 -0.996 10.2-147.7-124.1 127.7 -15.7 -5.0 -6.5 21 35 A D E -A 192 0A 56 -2,-0.4 171,-0.2 171,-0.2 39,-0.1 -0.816 27.0-118.9 -89.2 130.6 -12.6 -6.7 -5.1 22 36 A A - 0 0 0 169,-0.6 39,-0.2 -2,-0.5 38,-0.1 -0.397 22.8-129.6 -68.2 150.2 -9.9 -7.3 -7.7 23 37 A P S S+ 0 0 82 0, 0.0 2,-0.5 0, 0.0 38,-0.2 0.751 76.4 75.2 -82.1 -27.9 -9.2 -11.1 -8.1 24 38 A H E -R 60 0B 85 36,-2.5 36,-2.4 2,-0.0 2,-0.4 -0.768 65.5-146.0 -98.3 125.5 -5.4 -11.6 -7.9 25 39 A T E -R 59 0B 83 -2,-0.5 2,-0.5 34,-0.2 34,-0.2 -0.715 12.6-173.7 -86.2 129.3 -3.5 -11.3 -4.6 26 40 A L E -R 58 0B 15 32,-2.7 32,-1.7 -2,-0.4 2,-0.1 -0.981 17.6-149.4-117.8 115.7 0.0 -9.9 -4.7 27 41 A T E > -R 57 0B 55 -2,-0.5 4,-1.8 30,-0.2 30,-0.3 -0.468 21.0-128.5 -85.9 153.8 1.7 -10.1 -1.3 28 42 A S H > S+ 0 0 3 28,-2.7 4,-2.8 1,-0.2 5,-0.2 0.807 111.2 64.7 -66.1 -27.1 4.2 -7.7 0.1 29 43 A K H > S+ 0 0 152 27,-0.5 4,-1.7 2,-0.2 -1,-0.2 0.940 103.6 44.7 -59.7 -46.4 6.3 -10.9 0.8 30 44 A E H > S+ 0 0 94 1,-0.2 4,-1.6 2,-0.2 -2,-0.2 0.917 113.3 50.3 -63.7 -44.3 6.5 -11.6 -3.0 31 45 A I H X S+ 0 0 0 -4,-1.8 4,-2.3 1,-0.2 -2,-0.2 0.915 108.5 52.0 -60.0 -43.5 7.4 -7.9 -3.7 32 46 A N H X S+ 0 0 19 -4,-2.8 4,-1.3 1,-0.2 -1,-0.2 0.844 103.9 58.3 -63.4 -34.4 10.1 -7.9 -1.0 33 47 A E H < S+ 0 0 133 -4,-1.7 3,-0.3 1,-0.2 -1,-0.2 0.918 110.3 43.1 -58.3 -44.6 11.6 -11.0 -2.6 34 48 A R H < S+ 0 0 107 -4,-1.6 4,-0.3 1,-0.2 -2,-0.2 0.868 119.2 43.5 -68.4 -39.6 11.9 -9.0 -5.9 35 49 A L H >X S+ 0 0 0 -4,-2.3 4,-2.9 1,-0.2 3,-0.5 0.573 86.6 96.5 -80.9 -11.1 13.2 -5.9 -4.1 36 50 A Q H 3X S+ 0 0 79 -4,-1.3 4,-2.9 1,-0.3 5,-0.2 0.856 80.9 50.9 -58.3 -42.7 15.6 -7.7 -1.8 37 51 A P H 3> S+ 0 0 90 0, 0.0 4,-2.1 0, 0.0 -1,-0.3 0.913 115.3 44.8 -60.8 -38.6 18.8 -7.3 -3.8 38 52 A T H <> S+ 0 0 6 -3,-0.5 4,-2.3 -4,-0.3 6,-0.2 0.897 111.4 52.3 -69.9 -41.5 18.0 -3.5 -4.1 39 53 A Y H X>S+ 0 0 5 -4,-2.9 5,-2.3 1,-0.2 4,-0.8 0.933 111.7 48.5 -53.2 -46.5 17.1 -3.3 -0.4 40 54 A D H ><5S+ 0 0 106 -4,-2.9 3,-0.7 -5,-0.2 -2,-0.2 0.908 110.0 49.3 -65.9 -42.3 20.5 -4.9 0.3 41 55 A R H 3<5S+ 0 0 121 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.885 115.4 45.3 -62.0 -37.7 22.4 -2.6 -1.9 42 56 A L H 3<5S- 0 0 27 -4,-2.3 -1,-0.2 -5,-0.1 -2,-0.2 0.497 112.4-118.8 -86.5 -4.7 20.7 0.4 -0.3 43 57 A G T <<5 + 0 0 51 -4,-0.8 2,-0.5 -3,-0.7 -3,-0.2 0.639 56.5 157.8 77.4 15.5 21.2 -0.9 3.3 44 58 A I < + 0 0 42 -5,-2.3 -1,-0.3 -6,-0.2 -2,-0.1 -0.618 9.3 165.7 -77.4 121.1 17.5 -1.1 3.9 45 59 A K + 0 0 204 -2,-0.5 2,-0.2 -3,-0.1 -1,-0.2 0.569 48.9 80.7-113.9 -16.1 16.9 -3.6 6.8 46 60 A T S S- 0 0 85 1,-0.0 2,-1.4 5,-0.0 3,-0.1 -0.635 85.6-114.8 -89.4 150.9 13.3 -2.8 7.8 47 61 A D >> - 0 0 45 -2,-0.2 4,-1.8 1,-0.2 5,-1.6 -0.709 36.1-176.9 -82.9 90.8 10.3 -4.2 5.9 48 62 A V I 4>S+ 0 0 32 -2,-1.4 5,-2.7 3,-0.2 6,-0.2 0.819 76.7 41.8 -66.9 -28.3 9.0 -0.8 4.8 49 63 A L I 4>S+ 0 0 1 3,-0.2 6,-2.6 4,-0.2 5,-0.9 0.966 125.0 29.2 -78.7 -59.0 5.9 -2.2 3.1 50 64 A G I 45S+ 0 0 1 4,-0.2 -2,-0.2 3,-0.2 6,-0.1 0.927 133.8 26.5 -70.7 -46.3 4.7 -4.8 5.6 51 65 A D I <5S+ 0 0 102 -4,-1.8 -3,-0.2 3,-0.1 -1,-0.1 0.831 130.0 31.6 -92.5 -35.7 6.0 -3.3 8.9 52 66 A V I - 0 0 88 -2,-0.1 3,-1.7 1,-0.1 -1,-0.2 -0.500 50.2-103.7 -70.8 157.9 -5.6 -9.1 -15.3 63 77 A Q T 3 S+ 0 0 161 1,-0.3 -1,-0.1 -2,-0.2 98,-0.1 0.782 117.6 55.8 -52.3 -34.5 -3.5 -6.9 -17.6 64 78 A D T 3 S+ 0 0 126 2,-0.1 2,-0.6 0, 0.0 -1,-0.3 0.340 77.8 109.9 -92.7 8.5 -6.3 -6.3 -20.1 65 79 A V < - 0 0 32 -3,-1.7 2,-0.2 4,-0.0 -4,-0.1 -0.728 54.9-156.1 -85.0 121.8 -8.9 -4.9 -17.6 66 80 A Q >> - 0 0 76 -2,-0.6 4,-1.9 1,-0.1 3,-0.7 -0.584 29.7-108.6 -94.4 160.7 -9.5 -1.2 -18.2 67 81 A A H 3> S+ 0 0 2 1,-0.3 4,-2.7 2,-0.2 5,-0.2 0.912 120.8 55.5 -48.2 -47.3 -10.7 1.3 -15.7 68 82 A S H 3> S+ 0 0 2 1,-0.2 4,-2.3 2,-0.2 -1,-0.3 0.842 105.0 52.6 -60.1 -34.4 -14.0 1.4 -17.6 69 83 A D H <> S+ 0 0 60 -3,-0.7 4,-2.0 2,-0.2 -1,-0.2 0.937 111.6 44.4 -66.3 -48.0 -14.4 -2.4 -17.3 70 84 A A H X S+ 0 0 0 -4,-1.9 4,-1.9 1,-0.2 -2,-0.2 0.893 114.4 50.6 -61.7 -43.0 -14.0 -2.4 -13.5 71 85 A A H X S+ 0 0 0 -4,-2.7 4,-2.5 -5,-0.2 -1,-0.2 0.896 108.3 52.1 -60.7 -43.7 -16.3 0.6 -13.2 72 86 A T H X S+ 0 0 8 -4,-2.3 4,-2.4 -5,-0.2 5,-0.2 0.902 107.5 52.8 -61.0 -41.8 -19.0 -1.1 -15.3 73 87 A Q H X S+ 0 0 87 -4,-2.0 4,-1.5 1,-0.2 -1,-0.2 0.913 111.9 44.8 -61.2 -44.6 -18.8 -4.1 -13.0 74 88 A A H X S+ 0 0 0 -4,-1.9 4,-2.3 2,-0.2 121,-0.2 0.894 111.4 54.2 -65.1 -40.5 -19.3 -2.0 -9.9 75 89 A A H X S+ 0 0 0 -4,-2.5 4,-2.3 2,-0.2 -2,-0.2 0.908 106.4 49.9 -62.3 -45.6 -22.1 -0.0 -11.6 76 90 A R H X S+ 0 0 130 -4,-2.4 4,-1.6 1,-0.2 -1,-0.2 0.911 112.6 49.5 -58.8 -40.5 -24.2 -3.1 -12.5 77 91 A K H X S+ 0 0 90 -4,-1.5 4,-2.0 -5,-0.2 -2,-0.2 0.871 110.3 48.9 -67.1 -38.4 -23.8 -4.3 -8.9 78 92 A A H X S+ 0 0 0 -4,-2.3 4,-1.9 2,-0.2 -1,-0.2 0.855 107.0 55.8 -70.6 -34.3 -24.9 -0.9 -7.5 79 93 A L H X>S+ 0 0 14 -4,-2.3 5,-2.0 2,-0.2 4,-0.5 0.906 108.9 47.9 -61.6 -41.5 -28.0 -0.8 -9.8 80 94 A I H ><5S+ 0 0 130 -4,-1.6 3,-1.0 1,-0.2 -2,-0.2 0.924 109.5 52.6 -63.7 -43.6 -29.0 -4.2 -8.4 81 95 A D H 3<5S+ 0 0 64 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.834 114.2 43.0 -60.6 -32.5 -28.4 -2.9 -4.8 82 96 A A H 3<5S- 0 0 17 -4,-1.9 -1,-0.3 2,-0.2 -2,-0.2 0.505 106.2-132.6 -89.3 -5.5 -30.7 0.1 -5.7 83 97 A N T <<5 + 0 0 144 -3,-1.0 2,-0.3 -4,-0.5 -3,-0.2 0.901 64.3 121.0 47.8 48.5 -33.2 -2.2 -7.4 84 98 A I < - 0 0 29 -5,-2.0 -1,-0.2 3,-0.0 2,-0.2 -0.966 60.5-118.2-134.0 156.9 -33.4 0.1 -10.5 85 99 A G > - 0 0 25 -2,-0.3 3,-2.0 -3,-0.1 4,-0.2 -0.524 31.2-109.6 -89.9 160.4 -32.7 -0.3 -14.2 86 100 A I G > S+ 0 0 30 1,-0.3 3,-1.9 -2,-0.2 31,-0.4 0.768 111.7 73.9 -59.7 -25.6 -30.1 1.7 -16.1 87 101 A E G 3 S+ 0 0 119 1,-0.3 -1,-0.3 29,-0.1 30,-0.1 0.734 88.6 60.2 -64.2 -21.1 -33.0 3.6 -17.8 88 102 A K G < S+ 0 0 110 -3,-2.0 62,-0.5 61,-0.1 2,-0.5 0.595 81.0 103.7 -80.4 -9.9 -33.6 5.6 -14.6 89 103 A I E < +c 150 0A 2 -3,-1.9 28,-0.4 -4,-0.2 62,-0.2 -0.618 37.6 171.2 -83.4 122.6 -30.1 7.1 -14.5 90 104 A G E + 0 0 16 60,-2.6 31,-2.6 -2,-0.5 2,-0.3 0.532 69.0 33.8-103.7 -9.6 -30.0 10.7 -15.6 91 105 A L E -cd 151 121A 0 59,-0.7 61,-3.0 29,-0.2 2,-0.4 -0.985 57.7-177.2-147.0 131.1 -26.4 11.4 -14.7 92 106 A L E -cd 152 122A 0 29,-2.8 31,-1.4 -2,-0.3 2,-0.4 -0.964 8.3-177.8-132.1 121.1 -23.3 9.2 -14.7 93 107 A I E -cd 153 123A 1 59,-2.4 61,-2.8 -2,-0.4 2,-0.4 -0.959 14.3-153.1-119.7 130.6 -19.9 10.6 -13.4 94 108 A N E +cd 154 124A 0 29,-1.8 31,-2.9 -2,-0.4 61,-0.2 -0.869 14.4 176.8 -99.5 134.0 -16.7 8.7 -13.4 95 109 A T + 0 0 1 59,-2.4 32,-0.4 -2,-0.4 36,-0.2 0.264 30.5 130.5-120.6 11.2 -14.2 9.8 -10.7 96 110 A S - 0 0 0 58,-0.3 32,-0.1 1,-0.1 61,-0.1 -0.239 54.8-143.9 -73.7 154.1 -11.2 7.4 -11.1 97 111 A V S S+ 0 0 25 29,-0.1 -1,-0.1 30,-0.1 60,-0.1 0.890 88.4 78.8 -73.3 -46.0 -7.6 8.4 -11.4 98 112 A S - 0 0 15 58,-0.2 2,-0.4 -31,-0.1 58,-0.2 -0.355 70.0-169.9 -59.5 140.3 -7.1 5.5 -13.8 99 113 A R - 0 0 26 1,-0.2 3,-0.1 59,-0.1 6,-0.0 -0.992 29.2-147.8-142.0 132.6 -8.4 6.5 -17.3 100 114 A D S S- 0 0 19 -2,-0.4 2,-0.3 1,-0.1 -1,-0.2 0.961 82.7 -14.3 -55.9 -54.7 -9.0 4.5 -20.5 101 115 A Y - 0 0 127 3,-0.4 5,-0.2 1,-0.1 -1,-0.1 -0.898 60.8-109.5-143.0 166.9 -8.0 7.4 -22.8 102 116 A L S S+ 0 0 122 1,-0.3 365,-0.3 -2,-0.3 -1,-0.1 0.872 103.5 50.5 -62.3 -37.1 -7.4 11.2 -22.9 103 117 A E S S+ 0 0 80 363,-0.1 -1,-0.3 2,-0.1 2,-0.2 -0.963 94.1 32.8-158.0 139.6 -10.7 11.2 -24.9 104 118 A P S S- 0 0 17 0, 0.0 -3,-0.4 0, 0.0 558,-0.1 0.632 93.9-100.1 -79.5-176.8 -13.5 10.2 -24.8 105 119 A S > - 0 0 3 556,-0.4 4,-1.1 -2,-0.2 3,-0.3 -0.268 17.4-127.3 -64.1 150.5 -14.3 10.2 -21.1 106 120 A T H > S+ 0 0 0 1,-0.2 4,-2.5 2,-0.2 3,-0.3 0.861 111.3 63.8 -63.3 -33.9 -14.2 6.9 -19.2 107 121 A A H > S+ 0 0 0 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.877 98.7 51.3 -57.4 -41.6 -17.8 7.8 -18.2 108 122 A S H > S+ 0 0 0 -3,-0.3 4,-2.3 2,-0.2 -1,-0.2 0.849 110.0 50.6 -66.2 -32.1 -19.0 7.6 -21.8 109 123 A I H X S+ 0 0 11 -4,-1.1 4,-2.4 -3,-0.3 -2,-0.2 0.941 112.4 44.9 -72.0 -48.0 -17.4 4.2 -22.1 110 124 A V H X S+ 0 0 0 -4,-2.5 4,-2.4 2,-0.2 -2,-0.2 0.908 113.5 52.1 -57.1 -43.6 -19.1 2.9 -18.9 111 125 A S H X>S+ 0 0 0 -4,-2.7 4,-1.8 -5,-0.2 5,-1.8 0.903 108.9 49.7 -62.8 -43.5 -22.3 4.5 -20.1 112 126 A G H <5S+ 0 0 17 -4,-2.3 -1,-0.2 2,-0.2 -2,-0.2 0.931 110.8 49.8 -58.7 -48.2 -22.1 2.8 -23.4 113 127 A N H <5S+ 0 0 61 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.894 115.7 42.5 -55.1 -44.4 -21.5 -0.6 -21.7 114 128 A L H <5S- 0 0 14 -4,-2.4 -1,-0.2 -5,-0.1 -2,-0.2 0.712 109.2-123.1 -79.7 -20.7 -24.5 -0.1 -19.4 115 129 A G T <5 - 0 0 47 -4,-1.8 -3,-0.2 -5,-0.2 -4,-0.1 0.908 35.1-168.9 78.5 46.9 -26.8 1.2 -22.1 116 130 A V < - 0 0 11 -5,-1.8 -29,-0.1 1,-0.1 442,-0.1 -0.208 25.8-101.3 -63.6 158.4 -27.8 4.6 -20.6 117 131 A S > - 0 0 40 -28,-0.4 3,-1.6 -31,-0.4 441,-0.2 -0.222 32.4-102.4 -75.7 169.6 -30.7 6.5 -22.2 118 132 A D T 3 S+ 0 0 54 1,-0.3 438,-2.1 437,-0.1 -1,-0.1 0.525 120.2 62.6 -72.2 -2.5 -30.2 9.4 -24.6 119 133 A H T 3 S+ 0 0 103 436,-0.2 2,-0.4 -30,-0.1 -1,-0.3 0.543 76.8 114.0 -93.0 -8.3 -31.1 11.7 -21.7 120 134 A C < - 0 0 0 -3,-1.6 2,-0.4 436,-0.1 -29,-0.2 -0.480 57.5-147.4 -76.1 121.2 -28.2 10.7 -19.5 121 135 A M E -d 91 0A 25 -31,-2.6 -29,-2.8 -2,-0.4 2,-0.3 -0.707 24.9-178.0 -80.6 133.9 -25.6 13.4 -18.8 122 136 A T E +d 92 0A 1 -2,-0.4 2,-0.3 -31,-0.2 -29,-0.2 -0.989 15.1 133.5-139.1 145.0 -22.0 11.9 -18.5 123 137 A F E -d 93 0A 3 -31,-1.4 -29,-1.8 -2,-0.3 2,-0.3 -0.952 43.0-104.8-171.7 169.4 -18.5 13.2 -17.8 124 138 A D E -dE 94 465A 2 341,-2.5 341,-2.0 -2,-0.3 2,-0.4 -0.801 19.3-157.6-102.9 148.0 -15.3 12.4 -15.8 125 139 A V E - 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