==== 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 TRANSFERASE 11-JUL-07 2QKX . COMPND 2 MOLECULE: BIFUNCTIONAL PROTEIN GLMU; . SOURCE 2 ORGANISM_SCIENTIFIC: MYCOBACTERIUM TUBERCULOSIS; . AUTHOR Z.ZHANG,C.J.SQUIRE,E.N.BAKER,TB STRUCTURAL GENOMICS CONSORTI . 388 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17226.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 301 77.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 91 23.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 23 5.9 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 . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.3 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 . 41 10.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 45 11.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 73 18.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 1.0 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 0 0 0 0 1 2 0 0 1 1 1 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 10 4 1 1 3 1 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 . 1 1 1 1 0 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 . 1 0 0 0 0 0 0 1 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 2 A T 0 0 136 0, 0.0 46,-0.2 0, 0.0 45,-0.2 0.000 360.0 360.0 360.0-178.2 13.7 -18.4 23.4 2 3 A F - 0 0 22 44,-3.0 2,-0.2 43,-0.1 4,-0.2 -0.517 360.0-130.1 -92.6 122.8 12.7 -15.1 25.1 3 4 A P - 0 0 58 0, 0.0 46,-0.1 0, 0.0 123,-0.0 -0.598 51.2 -71.7 -72.7 153.9 10.4 -14.1 27.9 4 5 A G S S+ 0 0 60 -2,-0.2 2,-1.1 1,-0.2 -2,-0.1 0.260 103.0 15.2-140.2 -77.2 8.5 -11.9 27.4 5 6 A D S S+ 0 0 48 43,-0.1 101,-0.7 44,-0.1 2,-0.4 -0.746 83.2 159.1 -86.0 78.0 8.5 -8.2 27.0 6 7 A T E -a 106 0A 3 -2,-1.1 43,-2.8 41,-0.2 44,-1.5 -0.924 27.1-167.2-113.7 135.3 12.3 -8.3 26.4 7 8 A A E -ab 107 50A 0 99,-2.2 101,-2.3 -2,-0.4 2,-0.5 -0.977 5.0-161.4-119.7 125.6 14.5 -5.7 24.6 8 9 A V E -ab 108 51A 0 42,-1.9 44,-2.8 -2,-0.5 2,-0.5 -0.918 3.2-157.6-107.4 126.6 18.1 -6.4 23.6 9 10 A L E -ab 109 52A 0 99,-2.5 101,-2.6 -2,-0.5 2,-0.7 -0.911 5.1-158.0 -98.3 119.4 20.6 -3.6 22.8 10 11 A V E -ab 110 53A 0 42,-3.3 44,-2.4 -2,-0.5 2,-0.7 -0.905 12.1-147.3 -96.6 113.0 23.5 -4.6 20.5 11 12 A L E +ab 111 54A 27 99,-2.3 101,-2.0 -2,-0.7 102,-0.3 -0.730 37.6 148.1 -86.3 113.9 26.4 -2.2 21.1 12 13 A A E + b 0 55A 11 42,-2.2 44,-0.6 -2,-0.7 14,-0.1 -0.168 37.2 104.6-134.6 35.7 28.4 -1.7 17.9 13 14 A A + 0 0 12 42,-0.3 44,-1.1 43,-0.1 42,-0.1 0.435 46.0 124.5-102.2 1.7 29.6 1.9 18.2 14 15 A G - 0 0 47 42,-0.1 44,-0.3 1,-0.1 42,-0.2 0.038 68.6-121.1 -63.4 167.8 33.3 1.3 19.1 15 16 A P - 0 0 98 0, 0.0 10,-0.2 0, 0.0 -1,-0.1 0.820 29.1-153.0 -83.0 -24.2 36.2 2.8 17.2 16 17 A G > + 0 0 15 8,-0.1 3,-1.4 1,-0.1 4,-0.4 0.766 36.7 154.2 64.0 28.9 37.7 -0.7 16.4 17 18 A T G > + 0 0 106 1,-0.3 3,-1.4 2,-0.2 -1,-0.1 0.764 59.4 62.3 -59.5 -33.9 41.1 0.9 16.2 18 19 A R G 3 S+ 0 0 185 1,-0.3 222,-0.5 220,-0.1 -1,-0.3 0.569 88.0 69.4 -81.5 -10.2 43.1 -2.3 17.1 19 20 A M G < S- 0 0 3 -3,-1.4 -1,-0.3 220,-0.2 -2,-0.2 0.751 92.0-150.2 -66.1 -26.9 41.8 -4.2 14.1 20 21 A R < + 0 0 213 -3,-1.4 2,-0.3 -4,-0.4 -2,-0.1 0.955 49.7 125.2 48.0 63.5 44.0 -1.8 12.1 21 22 A S S S- 0 0 41 -5,-0.3 -1,-0.2 2,-0.1 4,-0.1 -0.981 71.3-134.0-149.9 147.1 41.7 -1.9 9.1 22 23 A D S S+ 0 0 158 -2,-0.3 -1,-0.1 -3,-0.1 -2,-0.0 0.668 92.1 83.0 -77.4 -14.9 39.8 0.4 6.9 23 24 A T S S- 0 0 59 1,-0.1 5,-0.1 -4,-0.1 -2,-0.1 -0.782 97.2-103.8 -93.6 125.2 36.8 -2.1 7.3 24 25 A P > - 0 0 7 0, 0.0 3,-1.9 0, 0.0 4,-0.5 -0.085 31.6-116.4 -55.8 143.9 34.7 -1.5 10.5 25 26 A K G > S+ 0 0 32 1,-0.3 3,-2.6 2,-0.2 10,-0.3 0.875 110.0 50.8 -47.1 -53.8 35.5 -4.1 13.1 26 27 A V G 3 S+ 0 0 10 1,-0.3 10,-2.1 -14,-0.1 11,-0.3 0.640 103.0 61.6 -67.8 -13.0 32.0 -5.7 13.4 27 28 A L G < S+ 0 0 34 -3,-1.9 -1,-0.3 7,-0.2 -2,-0.2 0.553 75.5 119.3 -85.6 -6.8 31.9 -6.2 9.6 28 29 A H < - 0 0 19 -3,-2.6 7,-2.2 -4,-0.5 8,-0.2 -0.385 67.1-120.5 -67.0 142.1 35.0 -8.4 9.8 29 30 A T E +I 34 0B 97 5,-0.2 5,-0.3 6,-0.1 2,-0.3 -0.377 32.2 177.7-102.8 154.7 34.0 -11.7 8.5 30 31 A L E > -I 33 0B 4 3,-2.0 3,-1.1 -2,-0.1 8,-0.1 -0.756 68.2 -21.7-164.0 103.7 34.1 -15.1 10.1 31 32 A A T 3 S- 0 0 24 -2,-0.3 244,-2.5 1,-0.2 245,-0.2 0.856 130.8 -41.6 57.4 35.2 33.0 -18.6 8.8 32 33 A G T 3 S+ 0 0 40 242,-0.2 2,-0.3 1,-0.2 -1,-0.2 0.372 127.0 76.0 96.3 -0.6 30.6 -16.9 6.2 33 34 A R E < S-I 30 0B 55 -3,-1.1 -3,-2.0 -5,-0.0 -1,-0.2 -0.982 78.6-112.5-139.6 151.7 29.2 -14.1 8.4 34 35 A S E > -I 29 0B 25 -2,-0.3 4,-2.2 -5,-0.3 3,-0.3 -0.483 40.0-108.9 -74.3 155.2 30.3 -10.8 9.7 35 36 A M H > S+ 0 0 0 -7,-2.2 4,-2.0 -10,-0.3 -8,-0.2 0.893 124.4 50.8 -52.3 -39.5 30.6 -10.7 13.5 36 37 A L H > S+ 0 0 0 -10,-2.1 4,-2.6 2,-0.2 -1,-0.3 0.862 105.4 54.4 -66.3 -38.5 27.5 -8.6 13.5 37 38 A S H > S+ 0 0 11 -11,-0.3 4,-2.5 -3,-0.3 -2,-0.2 0.936 109.2 48.7 -61.7 -46.1 25.6 -11.0 11.3 38 39 A H H X S+ 0 0 13 -4,-2.2 4,-2.9 1,-0.2 -2,-0.2 0.925 113.0 47.5 -54.2 -51.3 26.4 -13.9 13.8 39 40 A V H X S+ 0 0 2 -4,-2.0 4,-2.2 73,-0.3 -2,-0.2 0.872 112.7 46.9 -66.3 -38.7 25.3 -11.8 16.8 40 41 A L H X S+ 0 0 0 -4,-2.6 4,-3.2 2,-0.2 -1,-0.2 0.920 113.0 50.1 -71.1 -39.1 22.1 -10.6 15.2 41 42 A H H X S+ 0 0 42 -4,-2.5 4,-2.1 -5,-0.2 -2,-0.2 0.990 111.3 47.9 -55.0 -61.9 21.2 -14.2 14.0 42 43 A A H X S+ 0 0 24 -4,-2.9 4,-0.7 1,-0.2 -2,-0.2 0.912 117.5 44.1 -44.5 -51.2 21.8 -15.6 17.6 43 44 A I H >X S+ 0 0 0 -4,-2.2 3,-1.9 1,-0.2 4,-0.8 0.961 108.5 53.6 -64.0 -55.7 19.7 -12.8 19.0 44 45 A A H >< S+ 0 0 18 -4,-3.2 3,-1.2 1,-0.3 -1,-0.2 0.831 99.0 66.6 -44.8 -38.4 16.8 -12.9 16.5 45 46 A K H 3< S+ 0 0 70 -4,-2.1 -1,-0.3 1,-0.3 -2,-0.2 0.827 100.5 49.2 -54.5 -34.6 16.4 -16.7 17.2 46 47 A L H << S- 0 0 4 -3,-1.9 -44,-3.0 -4,-0.7 -1,-0.3 0.696 105.5-139.2 -82.5 -18.4 15.3 -15.8 20.8 47 48 A A << - 0 0 60 -3,-1.2 -41,-0.2 -4,-0.8 -3,-0.1 0.970 19.5-163.1 63.0 65.9 12.8 -13.2 19.4 48 49 A P - 0 0 6 0, 0.0 -41,-0.2 0, 0.0 -44,-0.1 -0.280 28.6-120.1 -68.2 163.8 13.1 -10.3 21.7 49 50 A Q S S+ 0 0 102 -43,-2.8 2,-0.3 1,-0.2 -42,-0.2 0.869 99.2 24.2 -70.1 -33.3 10.2 -7.8 21.6 50 51 A R E -b 7 0A 45 -44,-1.5 -42,-1.9 2,-0.0 2,-0.4 -0.939 63.5-167.1-130.0 150.4 12.7 -5.1 20.6 51 52 A L E -b 8 0A 0 -2,-0.3 27,-2.5 -44,-0.2 2,-0.5 -0.934 11.6-178.4-142.0 115.0 16.1 -5.2 19.0 52 53 A I E -bc 9 78A 0 -44,-2.8 -42,-3.3 -2,-0.4 2,-0.6 -0.962 11.9-164.3-123.4 119.0 18.3 -2.1 19.0 53 54 A V E -bc 10 79A 0 25,-3.1 27,-1.7 -2,-0.5 2,-0.8 -0.913 14.3-148.2-100.8 116.5 21.7 -1.8 17.4 54 55 A V E -bc 11 80A 0 -44,-2.4 -42,-2.2 -2,-0.6 2,-0.3 -0.782 18.8-169.9 -86.6 110.8 23.7 1.3 18.7 55 56 A L E +bc 12 81A 0 25,-2.6 27,-2.5 -2,-0.8 -42,-0.3 -0.755 17.2 150.7-103.0 150.2 25.9 2.5 15.8 56 57 A G > + 0 0 5 -44,-0.6 3,-2.6 -2,-0.3 4,-0.2 -0.068 57.4 24.8-138.9-124.0 28.6 5.2 16.3 57 58 A H T 3 S+ 0 0 68 -44,-1.1 3,-0.3 1,-0.3 -44,-0.1 0.693 134.8 20.5 -7.5 -74.3 31.9 5.9 14.5 58 59 A D T >> S+ 0 0 60 -44,-0.3 3,-2.2 1,-0.2 4,-1.5 -0.016 76.5 135.2-105.9 27.3 31.1 4.2 11.2 59 60 A H H <> + 0 0 62 -3,-2.6 4,-3.0 1,-0.3 -1,-0.2 0.829 64.8 70.1 -48.2 -42.5 27.3 4.1 11.2 60 61 A Q H 34 S+ 0 0 149 -3,-0.3 -1,-0.3 -4,-0.2 -2,-0.1 0.788 110.5 30.1 -34.5 -44.9 27.2 5.4 7.6 61 62 A R H <4 S+ 0 0 119 -3,-2.2 4,-0.3 2,-0.1 -1,-0.2 0.719 121.6 48.9-101.3 -29.1 28.6 2.0 6.3 62 63 A I H >X S+ 0 0 7 -4,-1.5 3,-1.5 2,-0.1 4,-1.3 0.890 97.1 69.1 -76.1 -44.5 27.2 -0.4 8.9 63 64 A A H >X S+ 0 0 31 -4,-3.0 4,-1.6 1,-0.3 3,-0.9 0.890 91.4 57.2 -46.3 -60.2 23.5 0.8 8.9 64 65 A P H 3> S+ 0 0 79 0, 0.0 4,-1.7 0, 0.0 -1,-0.3 0.805 107.3 51.8 -39.7 -36.7 22.5 -0.4 5.4 65 66 A L H <> S+ 0 0 55 -3,-1.5 4,-3.2 -4,-0.3 5,-0.2 0.868 100.7 57.4 -77.9 -37.7 23.5 -3.9 6.5 66 67 A V H S+ 0 0 8 -4,-3.1 5,-2.2 -5,-0.2 -1,-0.2 0.820 105.6 45.5 -49.8 -36.8 16.4 -7.1 9.2 71 72 A D H ><5S+ 0 0 132 -4,-1.3 3,-2.8 -3,-0.3 -2,-0.2 0.974 108.9 52.2 -73.1 -58.9 14.7 -8.4 6.0 72 73 A T H 3<5S+ 0 0 105 -4,-1.4 -2,-0.2 1,-0.3 -1,-0.2 0.852 112.7 47.2 -35.2 -51.5 16.4 -11.8 5.9 73 74 A L T 3<5S- 0 0 44 -4,-2.5 -1,-0.3 2,-0.2 -2,-0.2 0.261 107.7-130.3 -84.0 11.0 15.3 -12.4 9.5 74 75 A G T < 5S+ 0 0 70 -3,-2.8 2,-0.3 -5,-0.2 -3,-0.2 0.875 72.3 100.3 37.0 64.2 11.8 -11.2 8.7 75 76 A R S - 0 0 7 119,-0.2 4,-1.9 1,-0.1 -1,-0.3 -0.037 48.0 -74.2 106.4 158.6 31.7 5.8 26.6 88 89 A T H > S+ 0 0 71 1,-0.2 4,-1.5 2,-0.2 120,-0.2 0.800 126.0 56.0 -55.8 -34.6 29.9 2.4 26.7 89 90 A G H > S+ 0 0 5 118,-2.1 4,-2.8 2,-0.2 -1,-0.2 0.912 106.0 49.9 -67.1 -44.3 27.3 3.7 29.2 90 91 A H H > S+ 0 0 33 117,-0.7 4,-2.6 -4,-0.3 -2,-0.2 0.893 105.8 58.8 -58.7 -41.2 26.4 6.6 27.0 91 92 A A H X S+ 0 0 5 -4,-1.9 4,-2.5 2,-0.2 -1,-0.2 0.897 107.0 45.8 -54.0 -43.9 26.0 4.0 24.3 92 93 A V H X S+ 0 0 0 -4,-1.5 4,-2.3 2,-0.2 5,-0.2 0.975 109.2 54.4 -67.6 -50.4 23.4 2.3 26.4 93 94 A L H X S+ 0 0 73 -4,-2.8 4,-0.9 1,-0.2 -2,-0.2 0.856 110.0 49.2 -48.2 -37.1 21.7 5.6 27.1 94 95 A C H >< S+ 0 0 21 -4,-2.6 3,-0.6 2,-0.2 -1,-0.2 0.931 106.0 55.6 -66.5 -48.1 21.6 6.0 23.3 95 96 A G H >< S+ 0 0 0 -4,-2.5 3,-1.6 1,-0.2 -2,-0.2 0.894 104.7 53.6 -44.9 -48.2 20.1 2.6 22.8 96 97 A L H >< S+ 0 0 1 -4,-2.3 3,-2.5 1,-0.3 -1,-0.2 0.778 87.5 79.5 -66.1 -29.7 17.2 3.4 25.2 97 98 A S T << S+ 0 0 87 -4,-0.9 -1,-0.3 -3,-0.6 -2,-0.2 0.553 90.3 57.9 -51.5 -9.5 16.4 6.5 23.2 98 99 A A T < S+ 0 0 35 -3,-1.6 -1,-0.3 -4,-0.2 -2,-0.2 0.442 93.9 72.3-108.4 -0.7 14.6 4.1 20.8 99 100 A L S < S- 0 0 10 -3,-2.5 -49,-0.0 1,-0.1 -92,-0.0 -0.768 98.6 -87.1-102.1 156.2 12.1 2.5 23.2 100 101 A P > - 0 0 72 0, 0.0 3,-1.7 0, 0.0 -1,-0.1 -0.312 44.1-108.9 -55.9 148.8 9.1 4.3 24.7 101 102 A D T 3 S+ 0 0 148 1,-0.3 -4,-0.0 -4,-0.1 -5,-0.0 0.585 116.4 41.7 -59.0 -12.7 9.9 6.2 27.9 102 103 A D T 3 + 0 0 138 0, 0.0 2,-0.3 0, 0.0 -1,-0.3 -0.067 69.9 152.4-131.1 30.4 8.0 3.7 30.0 103 104 A Y < - 0 0 22 -3,-1.7 -4,-0.0 1,-0.2 -98,-0.0 -0.511 28.1-162.6 -59.7 121.0 8.9 0.3 28.5 104 105 A A + 0 0 91 -2,-0.3 84,-0.3 84,-0.1 85,-0.2 0.669 50.5 105.9 -84.5 -18.3 8.5 -2.0 31.5 105 106 A G S S- 0 0 9 1,-0.1 83,-0.3 83,-0.1 -99,-0.2 -0.013 76.2 -91.4 -69.4 164.5 10.5 -5.0 30.1 106 107 A N E -a 6 0A 33 -101,-0.7 -99,-2.2 81,-0.1 2,-0.4 -0.329 36.4-136.2 -69.7 154.9 13.9 -6.3 31.0 107 108 A V E -aD 7 186A 1 79,-2.0 79,-3.4 -101,-0.2 2,-0.5 -0.973 12.1-164.8-119.8 128.1 16.9 -5.1 29.1 108 109 A V E -aD 8 185A 0 -101,-2.3 -99,-2.5 -2,-0.4 2,-0.6 -0.957 7.7-163.4-112.5 120.6 19.7 -7.3 27.8 109 110 A V E +aD 9 184A 1 75,-1.1 75,-3.0 -2,-0.5 2,-0.3 -0.933 20.2 158.4-106.2 119.5 22.9 -5.4 26.8 110 111 A T E -a 10 0A 1 -101,-2.6 -99,-2.3 -2,-0.6 2,-0.2 -0.789 32.2-111.4-130.1-178.0 25.3 -7.3 24.6 111 112 A S E -a 11 0A 28 -2,-0.3 3,-0.5 -101,-0.2 -99,-0.2 -0.604 13.1-126.7-117.4 165.4 28.1 -6.4 22.2 112 113 A G S S+ 0 0 0 -101,-2.0 -73,-0.3 -2,-0.2 -100,-0.1 0.620 101.0 59.4 -87.5 -11.4 28.7 -6.6 18.4 113 114 A D S S+ 0 0 23 -102,-0.3 124,-0.5 1,-0.1 -1,-0.2 -0.160 74.9 91.3-112.9 32.2 32.0 -8.4 18.6 114 115 A T > + 0 0 3 -3,-0.5 3,-1.3 122,-0.2 122,-0.1 -0.688 45.1 167.7-123.6 76.2 31.1 -11.7 20.5 115 116 A P T 3 + 0 0 9 0, 0.0 -1,-0.1 0, 0.0 -73,-0.1 0.696 69.8 59.2 -73.3 -15.5 30.3 -13.8 17.5 116 117 A L T 3 S+ 0 0 13 119,-0.4 118,-0.1 116,-0.3 117,-0.1 0.622 71.7 124.8 -86.2 -14.0 30.3 -17.1 19.5 117 118 A L < - 0 0 6 -3,-1.3 2,-0.2 118,-0.2 117,-0.1 -0.222 45.8-166.1 -48.3 121.8 27.5 -16.0 21.8 118 119 A D > - 0 0 45 -76,-0.1 4,-1.6 1,-0.0 5,-0.1 -0.495 32.3 -96.5-116.4 178.7 24.7 -18.6 21.6 119 120 A A H > S+ 0 0 43 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.891 115.0 49.3 -60.2 -47.8 21.1 -19.3 22.5 120 121 A D H > S+ 0 0 109 1,-0.2 4,-3.4 2,-0.2 5,-0.3 0.941 107.6 52.5 -66.1 -49.2 21.6 -21.1 25.8 121 122 A T H > S+ 0 0 9 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.892 112.9 46.4 -47.3 -50.6 24.0 -18.6 27.4 122 123 A L H >X S+ 0 0 2 -4,-1.6 4,-1.6 2,-0.2 3,-0.6 0.973 113.6 47.1 -61.4 -58.2 21.5 -15.8 26.7 123 124 A A H >X S+ 0 0 38 -4,-2.6 4,-2.5 1,-0.2 3,-0.5 0.930 109.8 53.5 -42.1 -59.0 18.5 -17.8 28.0 124 125 A D H 3X S+ 0 0 92 -4,-3.4 4,-2.7 1,-0.3 5,-0.3 0.826 103.2 60.7 -50.0 -37.2 20.5 -18.8 31.2 125 126 A L H S+ 0 0 4 -4,-2.7 5,-2.9 -5,-0.3 -2,-0.2 0.913 116.7 36.8 -55.5 -51.3 18.4 -12.8 36.4 130 131 A R H <5S+ 0 0 87 -4,-3.3 -1,-0.2 3,-0.2 -2,-0.2 0.815 116.9 54.1 -68.5 -35.9 14.6 -13.4 37.0 131 132 A A H <5S+ 0 0 81 -4,-1.6 -2,-0.2 -5,-0.4 -3,-0.2 0.942 116.9 34.4 -68.1 -51.5 15.3 -16.3 39.5 132 133 A V T <5S- 0 0 77 -4,-3.1 -1,-0.2 -5,-0.1 -2,-0.2 0.352 108.6-132.6 -82.6 4.0 17.6 -14.3 41.8 133 134 A S T 5 - 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