==== 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 OXIDOREDUCTASE 26-MAR-09 3GRP . COMPND 2 MOLECULE: 3-OXOACYL-(ACYL CARRIERPROTEIN) REDUCTASE; . SOURCE 2 ORGANISM_SCIENTIFIC: BARTONELLA HENSELAE; . AUTHOR SEATTLE STRUCTURAL GENOMICS CENTER FOR INFECTIOUS DISEASE (S . 872 15 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 34356.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 688 78.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 136 15.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 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 . 78 8.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 81 9.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 340 39.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 24 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 1 0 0 0 2 0 1 5 9 0 2 2 1 3 0 0 0 2 2 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 0 4 12 4 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 PARALLEL BRIDGES PER LADDER . 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 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 0 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 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 0 A S > 0 0 131 0, 0.0 3,-0.8 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 20.3 8.3 20.7 49.0 2 1 A M T 3 + 0 0 27 1,-0.2 234,-0.1 234,-0.1 214,-0.0 -0.685 360.0 10.8 -84.2 136.1 9.3 18.5 46.1 3 2 A F T 3 S+ 0 0 0 -2,-0.3 -1,-0.2 1,-0.2 2,-0.2 0.699 90.4 154.4 68.4 24.3 7.7 15.0 46.1 4 3 A K < - 0 0 73 -3,-0.8 213,-0.5 1,-0.1 -1,-0.2 -0.517 35.6-162.6 -78.6 150.5 5.2 16.0 48.8 5 4 A L > + 0 0 3 25,-2.7 3,-2.4 22,-0.2 28,-0.3 -0.074 26.2 168.2-119.6 27.9 1.8 14.2 49.0 6 5 A T T 3 - 0 0 107 24,-0.3 26,-0.2 1,-0.3 25,-0.1 -0.202 69.8 -3.3 -56.6 121.6 0.1 16.8 51.2 7 6 A G T 3 S+ 0 0 42 24,-2.6 2,-0.3 1,-0.3 -1,-0.3 0.384 96.1 133.3 80.7 -4.7 -3.7 16.2 51.3 8 7 A R < - 0 0 73 -3,-2.4 25,-2.8 23,-0.1 2,-0.5 -0.641 53.4-132.5 -78.4 139.2 -3.7 13.3 48.9 9 8 A K E -a 33 0A 34 -2,-0.3 75,-2.4 23,-0.2 74,-1.8 -0.782 27.2-176.1 -93.5 128.4 -5.7 10.2 50.0 10 9 A A E -ab 34 84A 0 23,-2.7 25,-3.4 -2,-0.5 2,-0.5 -0.990 17.5-156.2-129.7 128.1 -3.9 6.9 49.6 11 10 A L E -ab 35 85A 0 73,-2.9 75,-2.9 -2,-0.4 2,-0.5 -0.939 14.4-169.2-100.4 126.9 -5.1 3.4 50.3 12 11 A V E -ab 36 86A 0 23,-3.1 25,-2.8 -2,-0.5 3,-0.5 -0.963 6.7-153.6-118.0 116.0 -2.3 0.9 51.0 13 12 A T S S+ 0 0 2 73,-2.5 25,-0.1 -2,-0.5 23,-0.0 -0.452 77.9 24.3 -83.9 162.9 -3.0 -2.9 51.1 14 13 A G S > S+ 0 0 19 74,-0.2 3,-0.6 1,-0.1 6,-0.4 0.860 78.6 151.1 51.8 42.9 -1.0 -5.4 53.1 15 14 A A T 3 + 0 0 0 22,-3.1 23,-0.2 -3,-0.5 -1,-0.1 0.412 44.4 80.4 -89.6 1.1 0.0 -2.5 55.4 16 15 A T T 3 S+ 0 0 25 21,-0.3 2,-0.3 5,-0.0 -1,-0.2 0.658 98.8 25.5 -81.7 -20.4 0.6 -4.4 58.7 17 16 A G S <> S- 0 0 34 -3,-0.6 4,-2.0 0, 0.0 3,-0.3 -0.836 104.2 -24.0-136.5 174.7 4.0 -5.7 57.8 18 17 A G H > S+ 0 0 59 -2,-0.3 4,-1.9 1,-0.2 5,-0.1 0.232 119.5 5.6 31.5-119.4 7.2 -5.1 55.8 19 18 A I H > S+ 0 0 22 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.920 128.9 56.7 -64.2 -47.5 7.0 -3.1 52.7 20 19 A G H > S+ 0 0 0 -6,-0.4 4,-2.0 -3,-0.3 -1,-0.2 0.861 109.3 45.5 -50.2 -45.8 3.3 -2.1 53.2 21 20 A E H X S+ 0 0 54 -4,-2.0 4,-2.3 -7,-0.3 -1,-0.2 0.879 112.0 52.0 -68.2 -38.5 4.0 -0.6 56.6 22 21 A A H X S+ 0 0 20 -4,-1.9 4,-2.2 -5,-0.2 -2,-0.2 0.905 110.3 48.9 -65.8 -39.1 7.1 1.2 55.3 23 22 A I H X S+ 0 0 0 -4,-2.8 4,-3.0 2,-0.2 5,-0.2 0.929 110.2 51.7 -61.1 -45.8 5.0 2.7 52.4 24 23 A A H X S+ 0 0 0 -4,-2.0 4,-2.0 -5,-0.2 -2,-0.2 0.901 112.5 44.5 -62.0 -42.5 2.3 3.8 54.9 25 24 A R H X S+ 0 0 81 -4,-2.3 4,-2.5 2,-0.2 -1,-0.2 0.887 114.0 49.8 -69.5 -39.9 4.9 5.6 57.1 26 25 A C H X S+ 0 0 11 -4,-2.2 4,-1.2 -5,-0.2 -2,-0.2 0.933 111.3 48.9 -63.7 -45.9 6.6 7.2 54.2 27 26 A F H <>S+ 0 0 0 -4,-3.0 5,-2.3 2,-0.2 3,-0.4 0.904 111.4 49.5 -57.5 -44.7 3.3 8.4 52.8 28 27 A H H ><5S+ 0 0 44 -4,-2.0 3,-1.9 1,-0.2 -2,-0.2 0.929 107.1 54.8 -67.1 -40.3 2.2 9.9 56.1 29 28 A A H 3<5S+ 0 0 63 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.788 106.1 54.5 -59.7 -27.7 5.6 11.7 56.5 30 29 A Q T 3<5S- 0 0 8 -4,-1.2 -25,-2.7 -3,-0.4 -24,-0.3 0.313 127.5 -97.2 -92.8 8.8 5.0 13.3 53.1 31 30 A G T < 5S+ 0 0 29 -3,-1.9 -24,-2.6 1,-0.3 -3,-0.2 0.550 73.5 146.1 91.9 8.3 1.6 14.7 54.1 32 31 A A < - 0 0 3 -5,-2.3 2,-0.7 -26,-0.2 -1,-0.3 -0.454 51.6-127.3 -76.1 150.6 -0.7 12.0 52.7 33 32 A I E -a 9 0A 32 -25,-2.8 -23,-2.7 -28,-0.3 2,-0.4 -0.906 40.2-152.5 -92.2 116.1 -3.9 10.9 54.4 34 33 A V E -ac 10 55A 0 20,-2.0 22,-2.6 -2,-0.7 2,-0.6 -0.828 22.1-159.8-111.9 132.2 -3.5 7.2 54.6 35 34 A G E -ac 11 56A 0 -25,-3.4 -23,-3.1 -2,-0.4 2,-0.7 -0.929 17.9-154.4-101.2 118.3 -5.8 4.3 54.6 36 35 A L E -ac 12 57A 0 20,-3.6 22,-2.8 -2,-0.6 2,-0.4 -0.861 10.2-171.1 -98.8 114.8 -4.2 1.1 56.0 37 36 A H E + c 0 58A 7 -25,-2.8 -22,-3.1 -2,-0.7 -21,-0.3 -0.848 25.6 121.4 -99.8 143.5 -5.6 -2.2 54.9 38 37 A G E - c 0 59A 2 20,-1.6 22,-0.9 -2,-0.4 3,-0.1 -0.942 60.8-110.7-170.4-168.7 -4.6 -5.5 56.5 39 38 A T S S+ 0 0 110 -2,-0.3 2,-1.2 20,-0.2 3,-0.1 0.731 95.3 78.0-108.0 -37.2 -5.9 -8.6 58.4 40 39 A R > - 0 0 23 1,-0.2 4,-2.2 2,-0.1 5,-0.2 -0.658 61.7-172.0 -76.2 95.4 -4.4 -8.0 61.8 41 40 A E H > S+ 0 0 91 -2,-1.2 4,-1.6 1,-0.2 -1,-0.2 0.823 83.3 47.8 -56.7 -37.7 -6.8 -5.4 63.2 42 41 A D H > S+ 0 0 112 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.823 108.8 51.2 -77.3 -36.4 -4.7 -4.7 66.3 43 42 A K H > S+ 0 0 94 2,-0.2 4,-1.8 1,-0.2 -2,-0.2 0.886 110.5 51.9 -68.5 -38.0 -1.4 -4.4 64.4 44 43 A L H X S+ 0 0 0 -4,-2.2 4,-2.5 1,-0.2 -2,-0.2 0.891 108.0 50.5 -59.4 -44.9 -3.1 -1.9 62.2 45 44 A K H X S+ 0 0 129 -4,-1.6 4,-2.6 2,-0.2 -1,-0.2 0.869 107.2 54.9 -66.4 -33.4 -4.3 0.1 65.2 46 45 A E H X S+ 0 0 133 -4,-1.7 4,-2.2 2,-0.2 -1,-0.2 0.919 110.9 44.5 -62.8 -46.0 -0.8 0.2 66.6 47 46 A I H X S+ 0 0 6 -4,-1.8 4,-2.1 2,-0.2 -2,-0.2 0.917 113.6 50.4 -64.0 -44.6 0.6 1.7 63.4 48 47 A A H X S+ 0 0 21 -4,-2.5 4,-2.9 1,-0.2 -2,-0.2 0.906 110.4 49.9 -61.8 -41.5 -2.3 4.2 63.2 49 48 A A H < S+ 0 0 77 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.911 109.9 50.8 -63.3 -43.4 -1.7 5.2 66.8 50 49 A D H < S+ 0 0 111 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.868 111.2 47.2 -61.9 -40.2 2.0 5.7 66.1 51 50 A L H < S- 0 0 28 -4,-2.1 -2,-0.2 -5,-0.1 -1,-0.2 0.934 93.4-164.8 -69.9 -46.9 1.3 7.9 63.1 52 51 A G < + 0 0 60 -4,-2.9 2,-0.3 -5,-0.2 -3,-0.1 0.108 49.9 38.2 97.5 -20.5 -1.2 9.8 65.1 53 52 A K S S+ 0 0 143 -5,-0.1 3,-0.1 1,-0.1 -3,-0.0 -0.983 101.9 22.9-162.2 150.1 -3.4 11.8 62.6 54 53 A D S S+ 0 0 69 -2,-0.3 -20,-2.0 1,-0.2 2,-0.4 0.878 85.7 129.1 56.1 43.8 -4.9 11.5 59.1 55 54 A V E -c 34 0A 31 -22,-0.2 2,-0.3 -7,-0.1 -20,-0.2 -0.992 37.9-168.7-128.8 138.0 -5.0 7.7 59.2 56 55 A F E -c 35 0A 63 -22,-2.6 -20,-3.6 -2,-0.4 2,-0.4 -0.949 11.0-146.8-123.9 148.2 -7.8 5.2 58.6 57 56 A V E +c 36 0A 36 -2,-0.3 2,-0.3 -22,-0.2 -20,-0.2 -0.939 17.9 175.2-123.7 134.1 -7.9 1.5 59.3 58 57 A F E -c 37 0A 13 -22,-2.8 -20,-1.6 -2,-0.4 2,-0.3 -0.985 15.4-156.6-138.2 142.2 -9.6 -1.3 57.3 59 58 A S E +c 38 0A 62 -2,-0.3 2,-0.3 -22,-0.2 -20,-0.2 -0.925 25.9 147.8-112.8 147.1 -9.9 -5.1 57.3 60 59 A A - 0 0 11 -22,-0.9 2,-0.9 -2,-0.3 8,-0.1 -0.882 47.3-118.1-171.3 144.1 -10.8 -7.3 54.3 61 60 A N > - 0 0 87 -2,-0.3 3,-2.0 1,-0.1 6,-0.2 -0.795 22.8-162.4 -85.7 105.9 -10.1 -10.7 52.9 62 61 A L T 3 S+ 0 0 18 -2,-0.9 -1,-0.1 1,-0.3 53,-0.1 0.463 85.0 66.8 -73.2 1.4 -8.5 -10.0 49.5 63 62 A S T 3 S+ 0 0 77 1,-0.1 2,-0.6 47,-0.0 -1,-0.3 0.444 90.0 75.2 -93.2 -6.0 -9.1 -13.6 48.3 64 63 A D S <> S- 0 0 72 -3,-2.0 4,-1.7 1,-0.1 5,-0.2 -0.948 70.5-154.2-110.7 118.2 -12.9 -12.8 48.4 65 64 A R H > S+ 0 0 64 -2,-0.6 4,-2.2 1,-0.2 5,-0.2 0.880 94.9 49.6 -56.6 -47.0 -14.2 -10.7 45.5 66 65 A K H > S+ 0 0 167 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.882 110.2 52.5 -62.4 -38.6 -17.2 -9.3 47.4 67 66 A S H > S+ 0 0 15 2,-0.2 4,-2.0 -6,-0.2 -1,-0.2 0.813 107.6 51.1 -66.5 -32.6 -15.0 -8.4 50.3 68 67 A I H X S+ 0 0 4 -4,-1.7 4,-2.1 2,-0.2 -2,-0.2 0.914 110.6 49.4 -67.9 -44.0 -12.6 -6.5 47.9 69 68 A K H X S+ 0 0 52 -4,-2.2 4,-2.2 1,-0.2 -2,-0.2 0.895 110.4 50.7 -60.1 -41.9 -15.6 -4.6 46.5 70 69 A Q H X S+ 0 0 127 -4,-2.2 4,-2.7 2,-0.2 5,-0.3 0.918 107.4 53.1 -61.9 -45.9 -16.8 -3.8 50.0 71 70 A L H X S+ 0 0 6 -4,-2.0 4,-3.0 1,-0.2 5,-0.3 0.944 109.5 49.5 -54.0 -50.2 -13.3 -2.5 51.0 72 71 A A H X S+ 0 0 3 -4,-2.1 4,-2.2 2,-0.2 5,-0.2 0.913 113.5 45.6 -55.6 -48.4 -13.3 -0.1 48.0 73 72 A E H X S+ 0 0 118 -4,-2.2 4,-2.1 2,-0.2 -2,-0.2 0.956 117.6 41.6 -61.5 -52.2 -16.8 1.2 48.8 74 73 A V H X S+ 0 0 40 -4,-2.7 4,-2.7 1,-0.2 5,-0.3 0.894 115.9 48.9 -69.4 -42.0 -16.1 1.8 52.5 75 74 A A H X S+ 0 0 0 -4,-3.0 4,-2.7 -5,-0.3 6,-0.2 0.928 112.3 48.3 -59.8 -48.6 -12.6 3.2 52.1 76 75 A E H X>S+ 0 0 50 -4,-2.2 5,-2.1 -5,-0.3 4,-0.8 0.907 115.8 44.7 -60.7 -40.3 -13.7 5.7 49.4 77 76 A R H ><5S+ 0 0 145 -4,-2.1 3,-0.5 -5,-0.2 -2,-0.2 0.968 116.9 43.1 -69.3 -54.0 -16.7 6.8 51.6 78 77 A E H 3<5S+ 0 0 97 -4,-2.7 -2,-0.2 1,-0.2 -3,-0.2 0.922 120.9 41.1 -56.7 -47.4 -14.8 7.1 54.9 79 78 A M H 3<5S- 0 0 8 -4,-2.7 -1,-0.2 -5,-0.3 -2,-0.2 0.557 106.6-127.4 -79.8 -8.0 -11.7 8.8 53.2 80 79 A E T <<5S- 0 0 162 -4,-0.8 -3,-0.2 -3,-0.5 -4,-0.1 0.915 79.3 -8.2 59.8 48.5 -14.0 11.0 51.0 81 80 A G S > - 0 0 108 -2,-0.3 4,-2.0 1,-0.2 3,-0.9 -0.777 23.9-159.0 -88.4 103.5 -3.3 -29.6 45.8 97 100 A Q H 3> S+ 0 0 141 -2,-1.0 4,-2.3 1,-0.3 -1,-0.2 0.843 90.7 55.4 -55.5 -33.9 -0.9 -28.0 43.2 98 101 A D H 3> S+ 0 0 42 1,-0.2 4,-2.4 2,-0.2 -1,-0.3 0.871 107.1 49.9 -66.5 -35.5 -3.9 -26.8 41.2 99 102 A Q H <> S+ 0 0 107 -3,-0.9 4,-2.7 2,-0.2 -2,-0.2 0.865 108.0 53.0 -70.2 -39.2 -5.3 -25.0 44.3 100 103 A D H X S+ 0 0 32 -4,-2.0 4,-2.3 2,-0.2 5,-0.2 0.905 109.1 49.6 -62.9 -44.3 -1.9 -23.4 44.9 101 104 A W H X S+ 0 0 9 -4,-2.3 4,-2.3 2,-0.2 5,-0.2 0.964 113.1 47.1 -52.4 -53.1 -1.9 -22.1 41.3 102 105 A D H X S+ 0 0 62 -4,-2.4 4,-2.6 1,-0.2 -2,-0.2 0.882 113.1 48.9 -60.9 -41.0 -5.5 -20.7 41.8 103 106 A D H X S+ 0 0 81 -4,-2.7 4,-2.4 2,-0.2 5,-0.3 0.880 110.0 49.5 -66.9 -42.2 -4.6 -19.1 45.1 104 107 A V H X S+ 0 0 6 -4,-2.3 4,-2.6 2,-0.2 5,-0.3 0.928 115.1 44.7 -65.6 -44.4 -1.5 -17.4 43.9 105 108 A L H X>S+ 0 0 11 -4,-2.3 5,-2.8 -5,-0.2 4,-1.7 0.935 114.5 49.7 -60.9 -45.0 -3.4 -16.0 40.9 106 109 A A H <>S+ 0 0 34 -4,-2.6 5,-1.8 -5,-0.2 -2,-0.2 0.903 121.7 32.2 -61.6 -43.4 -6.3 -14.9 43.1 107 110 A V H <5S+ 0 0 21 -4,-2.4 -2,-0.2 3,-0.2 -1,-0.2 0.855 127.2 36.0 -87.1 -36.0 -4.2 -13.2 45.7 108 111 A N H <5S+ 0 0 15 -4,-2.6 -3,-0.2 -5,-0.3 -2,-0.2 0.576 134.9 11.5 -97.4 -11.8 -1.3 -11.8 43.6 109 112 A L T X5S+ 0 0 0 -4,-1.7 4,-2.0 -5,-0.3 5,-0.2 0.610 125.8 44.4-127.6 -61.7 -3.1 -10.9 40.3 110 113 A T H > S+ 0 0 9 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.920 114.4 47.7 -65.2 -44.5 -5.1 -6.1 42.6 113 116 A S H X S+ 0 0 1 -4,-2.0 4,-2.2 2,-0.2 -2,-0.2 0.900 112.5 50.4 -67.6 -37.6 -7.1 -5.9 39.3 114 117 A T H X S+ 0 0 7 -4,-2.9 4,-1.7 -5,-0.2 -2,-0.2 0.953 114.3 42.1 -63.5 -50.5 -10.4 -6.2 41.2 115 118 A L H X S+ 0 0 2 -4,-2.5 4,-1.5 -5,-0.2 -2,-0.2 0.933 114.5 52.1 -63.8 -44.1 -9.6 -3.4 43.7 116 119 A T H X S+ 0 0 0 -4,-2.7 4,-1.7 -5,-0.2 3,-0.5 0.917 108.1 50.9 -56.1 -47.7 -8.0 -1.2 41.0 117 120 A R H X S+ 0 0 66 -4,-2.2 4,-0.5 1,-0.2 -1,-0.2 0.860 108.6 53.0 -63.9 -34.8 -11.1 -1.5 38.8 118 121 A E H < S+ 0 0 66 -4,-1.7 4,-0.3 1,-0.2 -1,-0.2 0.811 115.9 39.3 -62.7 -32.1 -13.4 -0.5 41.7 119 122 A L H X S+ 0 0 4 -4,-1.5 4,-1.2 -3,-0.5 -2,-0.2 0.651 96.5 72.8-102.1 -14.2 -11.4 2.7 42.4 120 123 A I H X S+ 0 0 5 -4,-1.7 4,-3.1 1,-0.2 5,-0.2 0.764 83.9 70.7 -75.6 -23.7 -10.4 4.1 39.0 121 124 A H H X S+ 0 0 126 -4,-0.5 4,-2.0 2,-0.2 -1,-0.2 0.956 103.3 41.3 -55.4 -55.8 -14.0 5.3 38.2 122 125 A S H > S+ 0 0 17 -4,-0.3 4,-1.8 1,-0.2 -1,-0.2 0.906 115.4 51.6 -59.2 -41.2 -13.9 8.1 40.7 123 126 A M H X>S+ 0 0 0 -4,-1.2 5,-2.0 1,-0.2 4,-0.7 0.896 108.2 51.4 -60.3 -44.6 -10.2 8.9 39.7 124 127 A M H ><5S+ 0 0 52 -4,-3.1 3,-0.6 1,-0.2 -1,-0.2 0.888 108.0 53.4 -60.6 -36.6 -11.3 9.1 36.1 125 128 A R H 3<5S+ 0 0 171 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.868 113.0 42.0 -65.9 -37.2 -14.1 11.6 37.2 126 129 A R H 3<5S- 0 0 84 -4,-1.8 -1,-0.2 2,-0.2 -2,-0.2 0.527 107.0-130.1 -86.2 -5.4 -11.6 13.8 38.9 127 130 A R T <<5S+ 0 0 121 -4,-0.7 2,-0.3 -3,-0.6 -3,-0.2 0.889 76.8 90.8 53.1 45.3 -9.1 13.4 36.0 128 131 A Y < + 0 0 34 -5,-2.0 2,-0.3 -6,-0.1 38,-0.3 -0.907 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