==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=5-FEB-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 19-JAN-12 4DE4 . COMPND 2 MOLECULE: APH(2")-ID; . SOURCE 2 ORGANISM_SCIENTIFIC: ENTEROCOCCUS CASSELIFLAVUS; . AUTHOR P.J STOGIOS,G.MINASOV,K.TAN,B.NOCEK,E.EVDOKIMOVA,O.EGOROVA,R . 594 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 29400.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 416 70.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 4 0.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 74 12.5 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.3 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 . 4 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 . 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 . 36 6.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 51 8.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 230 38.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 0.8 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 1 1 0 0 0 2 3 1 0 0 2 3 1 2 0 0 0 0 0 1 0 1 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 0 0 PARALLEL BRIDGES PER LADDER . 0 2 4 4 2 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 ANTIPARALLEL BRIDGES PER LADDER . 0 4 0 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 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 X 0 0 109 0, 0.0 2,-0.4 0, 0.0 49,-0.2 0.000 360.0 360.0 360.0 136.6 20.7 29.7 14.1 2 2 A R - 0 0 114 47,-5.2 2,-0.3 46,-0.0 0, 0.0 -0.818 360.0-162.2-100.5 134.8 21.8 26.7 16.2 3 3 A T - 0 0 107 -2,-0.4 2,-0.3 32,-0.0 46,-0.0 -0.865 12.6-144.8-110.4 149.4 24.0 23.9 14.9 4 4 A Y - 0 0 33 -2,-0.3 2,-0.2 43,-0.1 43,-0.0 -0.869 4.7-140.5-118.5 146.7 24.3 20.5 16.7 5 5 A T > - 0 0 68 -2,-0.3 4,-1.1 1,-0.1 0, 0.0 -0.515 33.6-111.7 -88.1 169.1 27.0 17.9 17.3 6 6 A F H > S+ 0 0 100 1,-0.2 4,-1.4 2,-0.2 5,-0.1 0.757 117.9 56.4 -74.4 -24.1 26.2 14.2 17.1 7 7 A D H > S+ 0 0 126 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.881 104.1 52.0 -71.6 -40.5 26.9 14.0 20.9 8 8 A Q H > S+ 0 0 74 2,-0.2 4,-1.8 1,-0.2 -2,-0.2 0.822 105.9 56.1 -66.3 -32.7 24.3 16.7 21.7 9 9 A V H X S+ 0 0 0 -4,-1.1 4,-1.8 2,-0.2 -1,-0.2 0.961 111.7 40.2 -64.1 -53.5 21.6 14.9 19.7 10 10 A E H X S+ 0 0 95 -4,-1.4 4,-2.7 1,-0.2 -2,-0.2 0.843 112.8 58.1 -63.5 -34.4 21.9 11.6 21.6 11 11 A K H X S+ 0 0 144 -4,-2.0 4,-1.2 1,-0.2 -1,-0.2 0.866 107.8 45.3 -65.5 -38.0 22.3 13.6 24.9 12 12 A A H X S+ 0 0 25 -4,-1.8 4,-0.9 -3,-0.2 -1,-0.2 0.876 116.2 45.7 -72.3 -39.2 19.0 15.3 24.4 13 13 A I H X S+ 0 0 0 -4,-1.8 4,-2.9 1,-0.2 3,-0.2 0.874 109.5 54.9 -71.7 -38.3 17.2 12.1 23.4 14 14 A E H < S+ 0 0 90 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.851 101.3 58.9 -65.0 -36.5 18.7 10.1 26.3 15 15 A Q H < S+ 0 0 100 -4,-1.2 -1,-0.2 1,-0.2 -2,-0.2 0.880 119.5 27.7 -60.6 -40.1 17.5 12.6 28.9 16 16 A L H < S+ 0 0 29 -4,-0.9 -2,-0.2 -3,-0.2 -1,-0.2 0.757 133.9 33.2 -93.8 -29.7 13.9 12.0 27.9 17 17 A Y >< + 0 0 52 -4,-2.9 3,-0.9 -5,-0.1 -1,-0.2 -0.690 62.2 158.8-130.7 79.8 14.2 8.5 26.6 18 18 A P T 3 S+ 0 0 51 0, 0.0 -1,-0.1 0, 0.0 -4,-0.1 0.757 75.8 57.8 -73.2 -26.7 16.8 6.6 28.6 19 19 A D T 3 S+ 0 0 159 2,-0.1 2,-0.7 -5,-0.0 -5,-0.1 0.452 86.6 94.2 -84.7 -1.2 15.4 3.2 27.7 20 20 A F < - 0 0 38 -3,-0.9 2,-0.6 -7,-0.2 -3,-0.1 -0.839 68.3-151.8 -94.4 114.7 15.9 4.0 24.0 21 21 A T - 0 0 103 -2,-0.7 2,-0.4 19,-0.0 -2,-0.1 -0.762 4.9-153.4 -94.4 122.4 19.3 2.7 22.8 22 22 A I + 0 0 26 -2,-0.6 3,-0.1 1,-0.1 17,-0.0 -0.756 20.5 169.0 -95.8 137.5 20.9 4.5 19.9 23 23 A N + 0 0 130 -2,-0.4 2,-0.3 1,-0.4 -1,-0.1 0.769 64.4 11.7-110.4 -48.1 23.4 2.8 17.6 24 24 A T - 0 0 40 2,-0.0 16,-0.9 14,-0.0 2,-0.4 -0.992 54.7-158.7-140.1 144.2 24.0 5.1 14.6 25 25 A I E +A 39 0A 32 -2,-0.3 2,-0.4 14,-0.2 14,-0.2 -0.980 13.3 176.5-126.8 122.2 23.4 8.8 13.7 26 26 A E E -A 38 0A 68 12,-1.5 12,-3.0 -2,-0.4 2,-1.6 -0.986 39.6-116.6-125.4 132.2 23.3 10.1 10.2 27 27 A I E -A 37 0A 93 -2,-0.4 10,-0.3 10,-0.2 3,-0.1 -0.505 36.5-175.6 -64.8 91.6 22.5 13.6 9.1 28 28 A S E - 0 0 56 -2,-1.6 2,-0.3 8,-1.0 9,-0.2 0.714 55.1 -35.6 -67.5 -23.9 19.4 12.6 7.2 29 29 A G E -A 36 0A 26 7,-1.5 7,-2.4 -3,-0.1 2,-0.3 -0.986 47.1-133.1 178.6 178.9 18.7 16.1 5.8 30 30 A E E +A 35 0A 135 -2,-0.3 5,-0.2 5,-0.2 2,-0.1 -0.856 24.3 166.7-161.5 118.1 18.7 19.8 6.3 31 31 A G - 0 0 42 3,-2.4 -2,-0.0 -2,-0.3 5,-0.0 -0.293 54.7 -81.0-115.1-160.2 16.0 22.4 5.6 32 32 A N S S+ 0 0 61 -2,-0.1 21,-0.1 1,-0.1 3,-0.1 0.565 125.9 27.3 -82.5 -9.7 15.3 26.0 6.5 33 33 A D S S+ 0 0 21 1,-0.3 16,-3.4 20,-0.1 17,-0.7 0.756 120.2 19.8-117.0 -48.4 13.9 25.1 9.9 34 34 A C E - B 0 48A 18 14,-0.3 -3,-2.4 15,-0.1 2,-0.5 -0.820 57.2-125.5-131.4 162.3 15.5 21.8 11.2 35 35 A I E -AB 30 47A 9 12,-2.8 12,-2.5 -2,-0.3 2,-0.4 -0.931 32.9-142.8-102.3 132.8 18.4 19.4 10.9 36 36 A A E -AB 29 46A 16 -7,-2.4 -7,-1.5 -2,-0.5 -8,-1.0 -0.825 14.7-169.2-103.4 135.0 17.2 15.8 10.3 37 37 A Y E -AB 27 45A 4 8,-3.0 8,-3.1 -2,-0.4 2,-0.6 -0.980 14.5-145.2-124.0 128.6 18.9 12.7 11.8 38 38 A E E -AB 26 44A 23 -12,-3.0 -12,-1.5 -2,-0.4 2,-0.4 -0.823 23.5-173.9 -91.3 119.1 18.3 9.1 10.9 39 39 A I E >> -AB 25 43A 0 4,-2.2 3,-1.5 -2,-0.6 4,-1.1 -0.955 65.5 -7.0-121.7 131.6 18.5 6.9 14.0 40 40 A N T 34 S- 0 0 47 -16,-0.9 -1,-0.1 -2,-0.4 -15,-0.1 0.642 108.5 -90.1 60.5 16.7 18.4 3.1 14.0 41 41 A R T 34 S+ 0 0 158 -17,-0.2 -1,-0.3 2,-0.2 3,-0.1 0.740 125.0 68.5 54.0 27.7 17.6 3.3 10.3 42 42 A D T <4 S+ 0 0 63 -3,-1.5 55,-2.2 1,-0.2 2,-0.3 0.266 88.1 65.0-152.0 5.1 13.9 3.4 11.2 43 43 A F E < -BC 39 96A 43 -4,-1.1 -4,-2.2 53,-0.3 2,-0.5 -0.991 57.6-154.6-136.5 144.4 13.4 6.8 12.9 44 44 A I E -BC 38 95A 29 51,-3.2 51,-2.4 -2,-0.3 2,-0.5 -0.950 13.2-165.7-120.4 111.1 13.8 10.4 11.7 45 45 A F E -BC 37 94A 0 -8,-3.1 -8,-3.0 -2,-0.5 2,-0.5 -0.824 4.5-156.0 -97.9 131.5 14.6 13.0 14.4 46 46 A K E -BC 36 93A 32 47,-2.6 47,-1.3 -2,-0.5 -10,-0.2 -0.913 6.5-169.8-108.3 130.1 14.2 16.7 13.7 47 47 A F E -B 35 0A 4 -12,-2.5 -12,-2.8 -2,-0.5 45,-0.2 -0.977 25.2-121.9-120.4 122.4 16.2 19.4 15.6 48 48 A P E -B 34 0A 0 0, 0.0 -14,-0.3 0, 0.0 3,-0.1 -0.329 10.8-158.6 -63.8 135.6 15.2 23.1 15.1 49 49 A K S S+ 0 0 18 -16,-3.4 -47,-5.2 1,-0.1 2,-0.3 0.728 78.1 4.8 -82.5 -24.7 18.0 25.4 13.9 50 50 A H S > S- 0 0 4 -17,-0.7 4,-1.3 -49,-0.2 334,-0.2 -0.885 84.5 -91.0-149.9 177.9 16.2 28.4 15.4 51 51 A S H > S+ 0 0 10 332,-0.6 4,-1.5 -2,-0.3 38,-0.4 0.917 120.8 49.4 -63.1 -48.1 13.1 29.5 17.4 52 52 A R H > S+ 0 0 42 331,-2.3 4,-1.7 1,-0.2 -1,-0.2 0.858 109.0 54.2 -62.4 -35.5 10.7 29.9 14.5 53 53 A G H > S+ 0 0 0 330,-0.3 4,-1.8 1,-0.2 -1,-0.2 0.811 104.9 54.0 -67.3 -31.2 11.7 26.5 13.2 54 54 A S H X S+ 0 0 0 -4,-1.3 4,-2.8 -3,-0.4 -1,-0.2 0.833 104.5 55.8 -70.7 -32.7 10.8 25.0 16.5 55 55 A T H X S+ 0 0 32 -4,-1.5 4,-2.5 2,-0.2 -2,-0.2 0.915 108.3 46.7 -65.0 -44.2 7.4 26.6 16.3 56 56 A N H X S+ 0 0 21 -4,-1.7 4,-2.7 2,-0.2 -2,-0.2 0.879 112.4 50.6 -63.9 -38.9 6.8 24.9 13.0 57 57 A L H X S+ 0 0 3 -4,-1.8 4,-2.5 2,-0.2 -2,-0.2 0.930 110.8 48.9 -62.8 -46.7 8.0 21.6 14.4 58 58 A F H X S+ 0 0 52 -4,-2.8 4,-1.8 1,-0.2 -2,-0.2 0.898 113.6 47.3 -57.6 -43.4 5.7 22.1 17.4 59 59 A N H X S+ 0 0 14 -4,-2.5 4,-2.1 2,-0.2 -2,-0.2 0.869 109.8 53.1 -67.6 -37.4 2.9 22.8 14.9 60 60 A E H X S+ 0 0 4 -4,-2.7 4,-2.6 2,-0.2 5,-0.2 0.933 108.8 49.0 -63.1 -47.0 3.7 19.8 12.8 61 61 A V H X S+ 0 0 1 -4,-2.5 4,-2.0 1,-0.2 -2,-0.2 0.927 112.5 47.6 -58.5 -48.1 3.6 17.4 15.7 62 62 A N H X S+ 0 0 43 -4,-1.8 4,-0.8 1,-0.2 -1,-0.2 0.875 113.4 47.4 -62.9 -39.8 0.2 18.7 16.9 63 63 A I H >X S+ 0 0 1 -4,-2.1 4,-1.4 2,-0.2 3,-0.7 0.922 110.2 51.8 -69.4 -44.0 -1.3 18.5 13.4 64 64 A L H 3X S+ 0 0 4 -4,-2.6 4,-0.9 1,-0.2 3,-0.3 0.888 106.7 54.1 -59.1 -41.1 -0.1 15.0 12.7 65 65 A K H 3< S+ 0 0 114 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.754 110.8 47.5 -65.7 -24.3 -1.5 13.7 16.0 66 66 A R H << S+ 0 0 105 -4,-0.8 -1,-0.2 -3,-0.7 -2,-0.2 0.725 122.7 30.4 -88.8 -24.1 -4.9 15.1 15.0 67 67 A I H >< S+ 0 0 0 -4,-1.4 3,-1.7 -3,-0.3 4,-0.2 0.224 80.2 114.1-120.2 13.2 -5.0 13.7 11.5 68 68 A H T 3< S+ 0 0 103 -4,-0.9 3,-0.2 1,-0.3 7,-0.2 0.778 89.3 33.9 -61.4 -28.5 -3.0 10.5 11.8 69 69 A N T 3 S+ 0 0 131 1,-0.1 -1,-0.3 -4,-0.1 -2,-0.1 -0.176 104.5 74.2-118.3 39.9 -6.1 8.4 11.1 70 70 A K S < S+ 0 0 109 -3,-1.7 -2,-0.1 63,-0.0 -1,-0.1 0.246 78.9 82.4-131.3 9.9 -7.9 10.6 8.6 71 71 A L - 0 0 27 -4,-0.2 55,-0.1 -3,-0.2 4,-0.1 -0.914 65.8-140.2-127.5 147.1 -5.8 10.2 5.5 72 72 A P S S+ 0 0 39 0, 0.0 54,-0.1 0, 0.0 -1,-0.1 0.548 90.0 56.5 -79.8 -8.7 -5.7 7.7 2.6 73 73 A L S S- 0 0 14 53,-0.1 -2,-0.1 52,-0.1 140,-0.1 -0.915 96.0 -96.4-122.1 151.0 -1.9 7.9 2.5 74 74 A P - 0 0 69 0, 0.0 141,-2.0 0, 0.0 -6,-0.0 -0.379 40.7-173.3 -62.6 139.3 0.8 7.3 5.2 75 75 A I - 0 0 14 139,-0.2 141,-0.2 -7,-0.2 -4,-0.0 -0.854 40.1 -70.9-126.9 163.5 2.1 10.4 7.0 76 76 A P - 0 0 12 0, 0.0 2,-0.5 0, 0.0 21,-0.1 -0.325 46.8-142.6 -58.1 133.0 4.9 10.8 9.5 77 77 A E - 0 0 114 19,-0.4 19,-2.1 -12,-0.0 2,-0.4 -0.878 11.2-131.1 -99.8 125.5 4.0 9.2 12.9 78 78 A V E +D 95 0A 25 -2,-0.5 17,-0.2 17,-0.2 3,-0.1 -0.615 40.3 154.9 -74.8 124.4 5.3 11.0 16.0 79 79 A V E + 0 0 60 15,-3.1 2,-0.4 -2,-0.4 16,-0.2 0.583 63.9 36.3-122.7 -25.4 7.0 8.6 18.3 80 80 A F E -D 94 0A 19 14,-1.9 14,-3.0 -63,-0.0 -1,-0.4 -0.993 63.5-172.3-130.2 140.6 9.4 10.9 20.3 81 81 A T E -D 93 0A 28 -2,-0.4 12,-0.3 12,-0.3 2,-0.0 -0.983 10.3-146.0-131.1 146.7 8.9 14.5 21.5 82 82 A G - 0 0 6 10,-2.6 -69,-0.0 -2,-0.3 12,-0.0 -0.091 26.5 -97.2 -91.0-165.3 11.2 17.0 23.1 83 83 A X - 0 0 14 -2,-0.0 8,-1.6 494,-0.0 2,-0.1 -0.832 29.0-112.7-118.0 155.1 10.6 19.7 25.7 84 84 A P + 0 0 32 0, 0.0 5,-0.2 0, 0.0 2,-0.2 -0.501 35.9 172.8 -81.5 156.3 9.9 23.4 25.4 85 85 A S - 0 0 22 3,-3.9 493,-0.2 493,-0.2 492,-0.1 -0.764 52.3 -81.4-142.5-168.8 12.3 26.1 26.6 86 86 A E S S+ 0 0 37 491,-0.4 263,-2.5 -2,-0.2 262,-0.4 0.633 131.5 33.1 -75.3 -12.2 12.7 29.9 26.6 87 87 A T S S+ 0 0 44 1,-0.2 2,-0.4 261,-0.2 -33,-0.2 0.725 121.6 40.6-111.3 -35.3 14.2 29.5 23.1 88 88 A Y - 0 0 24 1,-0.1 -3,-3.9 -34,-0.1 -1,-0.2 -0.924 54.7-152.3-121.6 144.1 12.3 26.5 21.6 89 89 A Q S S+ 0 0 45 -38,-0.4 2,-0.3 -2,-0.4 -1,-0.1 0.730 99.6 10.8 -78.6 -24.7 8.7 25.4 21.7 90 90 A X - 0 0 18 -6,-0.1 -1,-0.3 1,-0.1 -32,-0.1 -0.888 65.7-150.8-154.9 125.4 10.0 21.9 21.2 91 91 A S S S- 0 0 30 -8,-1.6 2,-0.3 -2,-0.3 -1,-0.1 0.791 76.0 -29.5 -68.2 -30.5 13.6 20.8 21.4 92 92 A F - 0 0 1 -45,-0.2 -10,-2.6 -80,-0.1 2,-0.3 -0.976 51.1-143.0-171.0 172.7 13.1 17.9 19.0 93 93 A A E -CD 46 81A 0 -47,-1.3 -47,-2.6 -2,-0.3 2,-0.5 -0.963 10.8-146.3-152.0 135.3 10.7 15.3 17.6 94 94 A G E -CD 45 80A 0 -14,-3.0 -15,-3.1 -2,-0.3 -14,-1.9 -0.884 18.0-171.0-106.1 132.3 11.2 11.7 16.5 95 95 A F E -CD 44 78A 6 -51,-2.4 -51,-3.2 -2,-0.5 2,-0.4 -0.892 31.7-104.7-120.9 149.4 9.2 10.3 13.6 96 96 A T E -C 43 0A 38 -19,-2.1 -19,-0.4 -2,-0.3 2,-0.3 -0.590 48.1-113.1 -67.7 125.9 8.8 6.8 12.2 97 97 A K - 0 0 58 -55,-2.2 2,-0.6 -2,-0.4 -1,-0.1 -0.457 22.9-147.2 -67.8 124.6 10.8 6.7 9.0 98 98 A I - 0 0 35 -2,-0.3 2,-0.1 2,-0.1 -1,-0.1 -0.844 18.7-134.1 -92.0 118.1 8.8 6.3 5.8 99 99 A K + 0 0 140 -2,-0.6 2,-0.2 114,-0.1 114,-0.1 -0.439 57.8 71.1 -73.8 145.0 10.7 4.3 3.3 100 100 A G S S- 0 0 43 -2,-0.1 106,-0.2 104,-0.1 104,-0.1 -0.707 71.0 -88.8 137.1 171.3 10.8 5.5 -0.3 101 101 A V E -E 205 0B 64 104,-2.2 104,-3.0 -2,-0.2 2,-0.1 -0.844 49.0 -88.3-116.1 153.4 12.2 8.2 -2.6 102 102 A P E -E 204 0B 52 0, 0.0 2,-2.4 0, 0.0 102,-0.3 -0.390 38.3-121.0 -60.6 131.4 10.8 11.6 -3.5 103 103 A L - 0 0 0 100,-4.0 99,-0.1 97,-0.4 101,-0.1 -0.494 42.1-172.6 -73.7 76.4 8.5 11.5 -6.5 104 104 A T > - 0 0 42 -2,-2.4 4,-2.3 1,-0.1 3,-0.3 -0.331 38.3-107.1 -67.8 154.3 10.5 13.9 -8.5 105 105 A P H > S+ 0 0 44 0, 0.0 4,-2.1 0, 0.0 5,-0.1 0.812 120.8 55.9 -51.9 -32.9 9.1 15.1 -11.9 106 106 A L H > S+ 0 0 117 2,-0.2 4,-1.1 1,-0.2 5,-0.1 0.926 108.0 45.3 -66.9 -47.5 11.7 12.9 -13.6 107 107 A L H > S+ 0 0 56 -3,-0.3 4,-0.5 1,-0.2 3,-0.2 0.892 113.4 51.4 -62.9 -41.1 10.6 9.7 -11.9 108 108 A L H >< S+ 0 0 8 -4,-2.3 3,-1.1 1,-0.2 -2,-0.2 0.918 108.6 49.4 -62.1 -46.5 6.9 10.5 -12.5 109 109 A N H 3< S+ 0 0 118 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.717 108.1 55.3 -69.5 -20.4 7.3 11.1 -16.2 110 110 A N H 3< S+ 0 0 115 -4,-1.1 -1,-0.3 -3,-0.2 -2,-0.2 0.561 88.7 101.1 -87.8 -10.1 9.3 7.8 -16.6 111 111 A L S << S- 0 0 18 -3,-1.1 5,-0.1 -4,-0.5 -3,-0.0 -0.325 87.5 -91.8 -69.9 155.1 6.5 5.8 -15.0 112 112 A P >> - 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