==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=12-AUG-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE/TRANSFERASE INHIBITOR 12-AUG-10 3OE5 . COMPND 2 MOLECULE: CATECHOL O-METHYLTRANSFERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: RATTUS NORVEGICUS; . AUTHOR A.EHLER,D.SCHLATTER,M.STIHLE,J.BENZ,M.G.RUDOLPH . 213 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11884.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 137 64.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 22 10.3 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 . 14 6.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 17 8.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 74 34.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 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 1 0 1 0 1 1 0 1 0 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 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 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 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 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 3 A D 0 0 152 0, 0.0 2,-0.2 0, 0.0 3,-0.0 0.000 360.0 360.0 360.0 128.4 33.2 -36.7 23.3 2 4 A T > - 0 0 59 1,-0.1 4,-2.1 0, 0.0 5,-0.2 -0.712 360.0-112.0-107.7 161.2 31.2 -35.4 20.2 3 5 A K H > S+ 0 0 52 -2,-0.2 4,-1.7 1,-0.2 5,-0.1 0.879 118.9 53.8 -57.2 -38.7 32.2 -32.7 17.8 4 6 A E H > S+ 0 0 48 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.876 107.5 49.4 -68.3 -39.9 29.4 -30.5 19.1 5 7 A Q H > S+ 0 0 93 1,-0.2 4,-2.8 2,-0.2 -1,-0.2 0.901 108.7 53.8 -61.6 -40.1 30.6 -30.9 22.7 6 8 A R H X S+ 0 0 77 -4,-2.1 4,-2.1 2,-0.2 -2,-0.2 0.832 107.1 51.5 -63.7 -35.6 34.1 -29.9 21.6 7 9 A I H X S+ 0 0 1 -4,-1.7 4,-2.4 2,-0.2 -2,-0.2 0.952 111.2 46.8 -65.6 -48.4 32.7 -26.8 20.0 8 10 A L H X S+ 0 0 7 -4,-2.0 4,-2.8 1,-0.2 5,-0.2 0.935 112.6 49.8 -57.0 -47.7 30.8 -25.8 23.2 9 11 A R H X S+ 0 0 148 -4,-2.8 4,-2.3 1,-0.2 -1,-0.2 0.925 108.2 53.3 -61.2 -44.1 33.9 -26.5 25.3 10 12 A Y H X S+ 0 0 62 -4,-2.1 4,-1.7 1,-0.2 5,-0.3 0.946 110.3 48.1 -56.7 -47.1 36.1 -24.4 23.0 11 13 A V H X S+ 0 0 0 -4,-2.4 4,-2.5 1,-0.2 3,-0.3 0.932 110.8 49.9 -57.5 -49.3 33.6 -21.5 23.4 12 14 A Q H < S+ 0 0 73 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.872 116.2 44.0 -58.7 -32.8 33.5 -21.8 27.3 13 15 A Q H < S+ 0 0 137 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.748 128.7 20.3 -85.0 -22.9 37.3 -21.8 27.3 14 16 A N H < S+ 0 0 93 -4,-1.7 -3,-0.2 -3,-0.3 -2,-0.2 0.657 101.1 80.9-124.3 -25.1 38.0 -19.0 24.9 15 17 A A S < S- 0 0 10 -4,-2.5 8,-0.1 -5,-0.3 6,-0.0 -0.455 80.0-105.9 -91.2 160.4 35.1 -16.7 24.4 16 18 A K > - 0 0 137 3,-0.2 3,-1.6 -2,-0.1 7,-0.2 -0.742 38.8-117.3 -84.5 122.7 34.1 -13.9 26.7 17 19 A P T 3 S+ 0 0 90 0, 0.0 87,-0.2 0, 0.0 86,-0.1 -0.313 98.4 18.6 -59.2 142.2 31.0 -14.7 28.7 18 20 A G T 3 S+ 0 0 50 85,-3.3 86,-0.2 1,-0.1 85,-0.1 0.571 100.0 110.3 74.8 7.4 28.0 -12.5 28.0 19 21 A D <> - 0 0 52 -3,-1.6 4,-1.8 84,-0.3 3,-0.4 -0.877 46.2-174.3-118.0 92.9 29.6 -11.4 24.7 20 22 A P H > S+ 0 0 26 0, 0.0 4,-2.6 0, 0.0 5,-0.2 0.867 84.4 54.8 -60.5 -36.7 27.7 -12.9 21.7 21 23 A Q H > S+ 0 0 66 1,-0.2 4,-2.5 2,-0.2 5,-0.1 0.887 107.1 50.7 -62.5 -38.6 30.2 -11.6 19.1 22 24 A S H > S+ 0 0 25 -3,-0.4 4,-2.1 2,-0.2 -1,-0.2 0.879 109.2 51.3 -65.8 -41.6 33.0 -13.4 20.9 23 25 A V H X S+ 0 0 0 -4,-1.8 4,-2.7 -7,-0.2 5,-0.2 0.946 110.9 47.7 -58.3 -51.8 31.0 -16.6 21.0 24 26 A L H X S+ 0 0 0 -4,-2.6 4,-2.8 1,-0.2 -2,-0.2 0.939 112.3 50.1 -55.6 -46.3 30.3 -16.4 17.2 25 27 A E H X S+ 0 0 105 -4,-2.5 4,-2.2 -5,-0.2 -1,-0.2 0.882 109.7 50.2 -63.1 -37.0 34.0 -15.7 16.6 26 28 A A H X S+ 0 0 8 -4,-2.1 4,-2.6 2,-0.2 5,-0.2 0.928 111.3 48.5 -67.2 -44.4 35.1 -18.7 18.8 27 29 A I H X S+ 0 0 0 -4,-2.7 4,-2.4 1,-0.2 5,-0.2 0.944 112.8 48.8 -59.1 -47.5 32.7 -21.0 17.0 28 30 A D H X S+ 0 0 18 -4,-2.8 4,-1.8 -5,-0.2 -2,-0.2 0.881 111.4 49.1 -62.5 -40.2 34.0 -19.8 13.6 29 31 A T H X S+ 0 0 53 -4,-2.2 4,-2.2 -5,-0.2 5,-0.4 0.960 112.4 47.8 -62.3 -49.1 37.7 -20.1 14.6 30 32 A Y H X>S+ 0 0 19 -4,-2.6 4,-2.7 1,-0.2 5,-1.7 0.926 116.2 42.3 -60.8 -43.3 37.2 -23.7 15.8 31 33 A C H <5S+ 0 0 4 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.783 114.2 51.8 -78.0 -24.0 35.3 -24.8 12.8 32 34 A T H <5S+ 0 0 67 -4,-1.8 -1,-0.2 -5,-0.2 -2,-0.2 0.865 126.8 20.8 -72.4 -38.4 37.6 -23.0 10.3 33 35 A Q H <5S+ 0 0 149 -4,-2.2 -2,-0.2 -5,-0.2 -3,-0.2 0.751 133.4 24.3-107.3 -32.6 40.7 -24.5 11.8 34 36 A K T <5S+ 0 0 151 -4,-2.7 2,-0.3 -5,-0.4 -3,-0.2 0.829 121.6 1.2-107.7 -50.3 39.9 -27.7 13.7 35 37 A E < - 0 0 45 -5,-1.7 -1,-0.2 -32,-0.0 -2,-0.1 -0.889 64.7-124.7-150.5 119.2 36.7 -29.4 12.6 36 38 A W + 0 0 103 -2,-0.3 2,-0.3 -4,-0.1 -4,-0.1 -0.264 35.8 174.6 -49.5 139.6 34.2 -28.5 9.9 37 39 A A - 0 0 0 2,-0.1 2,-1.5 -6,-0.1 -2,-0.0 -0.987 41.5-107.5-153.3 153.2 30.6 -28.2 11.1 38 40 A M + 0 0 101 -2,-0.3 2,-0.3 2,-0.0 -2,-0.1 -0.193 64.8 136.7 -79.0 43.3 27.3 -27.1 9.5 39 41 A N - 0 0 3 -2,-1.5 158,-0.2 1,-0.1 -2,-0.1 -0.665 68.5-113.5 -79.2 153.1 27.0 -23.7 11.2 40 42 A V > - 0 0 1 -2,-0.3 4,-0.5 1,-0.1 5,-0.1 0.849 53.7-147.2 -59.2 -31.9 25.9 -21.0 8.8 41 43 A G H > - 0 0 3 1,-0.2 4,-1.5 3,-0.1 -1,-0.1 -0.110 25.3 -71.2 86.7 168.5 29.3 -19.3 9.1 42 44 A D H > S+ 0 0 63 2,-0.2 4,-2.2 3,-0.2 -1,-0.2 0.826 122.5 56.7 -73.4 -33.9 30.3 -15.7 9.1 43 45 A A H > S+ 0 0 48 2,-0.2 4,-1.0 1,-0.2 3,-0.3 0.984 118.6 31.8 -65.4 -55.7 29.8 -15.0 5.3 44 46 A K H X S+ 0 0 30 -4,-0.5 4,-2.6 151,-0.4 3,-0.2 0.847 114.0 65.7 -66.5 -31.6 26.2 -16.0 5.2 45 47 A G H X S+ 0 0 0 -4,-1.5 4,-2.6 1,-0.2 -2,-0.2 0.893 96.7 54.0 -55.9 -39.3 25.9 -14.7 8.8 46 48 A Q H X S+ 0 0 110 -4,-2.2 4,-1.8 -3,-0.3 -1,-0.2 0.842 107.8 50.4 -67.3 -31.6 26.5 -11.2 7.7 47 49 A I H X S+ 0 0 44 -4,-1.0 4,-2.3 -3,-0.2 -2,-0.2 0.947 109.7 50.3 -70.4 -46.1 23.7 -11.5 5.2 48 50 A M H X S+ 0 0 6 -4,-2.6 4,-2.6 1,-0.2 5,-0.2 0.920 109.1 52.5 -52.4 -47.0 21.4 -12.8 7.9 49 51 A D H X S+ 0 0 10 -4,-2.6 4,-2.4 2,-0.2 -1,-0.2 0.915 109.1 49.4 -56.8 -44.5 22.4 -9.8 10.1 50 52 A A H X S+ 0 0 60 -4,-1.8 4,-2.1 1,-0.2 -1,-0.2 0.908 112.7 47.0 -64.9 -39.7 21.6 -7.4 7.3 51 53 A V H X S+ 0 0 9 -4,-2.3 4,-2.2 2,-0.2 5,-0.2 0.938 112.4 48.5 -68.0 -45.0 18.2 -8.9 6.8 52 54 A I H X S+ 0 0 3 -4,-2.6 4,-2.6 1,-0.2 -2,-0.2 0.907 111.6 50.4 -60.8 -43.0 17.3 -9.0 10.5 53 55 A R H < S+ 0 0 154 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.898 109.7 52.6 -65.1 -38.3 18.3 -5.4 10.9 54 56 A E H < S+ 0 0 128 -4,-2.1 -2,-0.2 -5,-0.2 -1,-0.2 0.941 120.5 29.9 -61.1 -46.1 16.2 -4.5 7.9 55 57 A Y H < S- 0 0 115 -4,-2.2 -2,-0.2 -5,-0.1 -1,-0.2 0.692 83.4-153.8 -94.7 -16.6 13.0 -6.1 9.2 56 58 A S < - 0 0 69 -4,-2.6 -3,-0.1 -5,-0.2 -4,-0.1 0.912 23.3-154.6 45.5 52.6 13.5 -5.8 13.0 57 59 A P - 0 0 6 0, 0.0 22,-0.3 0, 0.0 -1,-0.2 -0.396 21.4-160.8 -65.9 141.1 11.3 -8.8 13.7 58 60 A S S S+ 0 0 79 1,-0.3 25,-2.6 24,-0.1 2,-0.4 0.738 84.6 31.0 -84.7 -26.1 9.5 -9.1 17.0 59 61 A L E S-a 83 0A 18 23,-0.2 75,-2.2 2,-0.0 76,-1.3 -0.971 70.8-179.9-141.1 112.9 8.9 -12.9 16.7 60 62 A V E -ab 84 135A 1 23,-2.4 25,-2.7 -2,-0.4 2,-0.5 -0.955 12.5-157.2-115.1 138.3 11.4 -15.2 14.9 61 63 A L E -ab 85 136A 0 74,-2.4 76,-2.6 -2,-0.4 2,-0.5 -0.970 9.1-164.0-109.8 125.8 11.1 -19.0 14.4 62 64 A E E -ab 86 137A 1 23,-3.0 25,-2.6 -2,-0.5 2,-0.7 -0.923 6.8-154.5-104.4 131.5 14.3 -20.9 13.7 63 65 A L E S+ab 87 138A 0 74,-3.1 76,-2.1 -2,-0.5 25,-0.1 -0.929 75.1 22.4-105.3 112.3 14.1 -24.5 12.3 64 66 A G - 0 0 10 23,-2.5 24,-0.2 -2,-0.7 -1,-0.2 0.667 57.5-171.7 99.5 105.1 17.2 -26.4 13.2 65 67 A A > + 0 0 5 22,-0.3 3,-2.5 1,-0.2 5,-0.3 0.834 18.5 165.0 -89.2 -42.3 19.3 -25.2 16.2 66 68 A Y T 3 S- 0 0 31 1,-0.3 31,-0.4 2,-0.1 -1,-0.2 -0.440 79.1 -15.4 57.9-114.6 22.3 -27.4 15.9 67 69 A C T 3 S- 0 0 0 -2,-0.3 -1,-0.3 29,-0.1 33,-0.1 0.407 98.2-104.7 -97.7 -0.9 25.0 -25.7 18.1 68 70 A G S <> S+ 0 0 0 -3,-2.5 4,-2.6 32,-0.1 5,-0.2 0.522 79.8 132.5 91.4 7.5 23.1 -22.5 18.5 69 71 A Y H > S+ 0 0 2 -4,-0.3 4,-2.4 1,-0.2 5,-0.1 0.956 79.6 39.3 -54.6 -53.7 25.4 -20.4 16.1 70 72 A S H > S+ 0 0 5 -5,-0.3 4,-2.8 2,-0.2 5,-0.3 0.847 112.3 56.4 -67.7 -31.5 22.4 -19.0 14.3 71 73 A A H > S+ 0 0 0 -6,-0.3 4,-2.8 2,-0.2 5,-0.2 0.919 111.5 44.1 -63.6 -41.4 20.4 -18.5 17.5 72 74 A V H X S+ 0 0 0 -4,-2.6 4,-2.0 2,-0.2 -2,-0.2 0.929 113.1 52.6 -64.8 -48.4 23.2 -16.4 18.9 73 75 A R H < S+ 0 0 3 -4,-2.4 4,-0.3 -5,-0.2 -2,-0.2 0.929 118.9 34.0 -57.7 -46.8 23.6 -14.6 15.6 74 76 A M H >< S+ 0 0 4 -4,-2.8 3,-1.5 1,-0.2 4,-0.5 0.920 114.8 53.8 -76.1 -45.3 19.9 -13.6 15.5 75 77 A A H >< S+ 0 0 1 -4,-2.8 3,-1.2 -5,-0.3 -2,-0.2 0.851 100.5 61.9 -64.0 -32.4 19.1 -13.2 19.1 76 78 A R T 3< S+ 0 0 54 -4,-2.0 -1,-0.3 1,-0.3 -2,-0.2 0.684 106.9 47.0 -64.2 -22.1 22.0 -10.7 19.6 77 79 A L T < S+ 0 0 28 -3,-1.5 -1,-0.3 -4,-0.3 -2,-0.2 0.431 87.2 111.7 -99.6 -3.5 20.2 -8.4 17.0 78 80 A L < - 0 0 17 -3,-1.2 3,-0.1 -4,-0.5 -20,-0.1 -0.506 67.5-121.7 -72.7 143.9 16.7 -8.6 18.5 79 81 A Q > - 0 0 119 -22,-0.3 3,-1.9 -2,-0.2 -1,-0.1 -0.290 47.3 -71.7 -73.7 160.7 15.2 -5.5 20.1 80 82 A P T 3 S+ 0 0 114 0, 0.0 -1,-0.2 0, 0.0 3,-0.1 -0.290 123.2 20.1 -56.3 134.7 14.1 -5.6 23.7 81 83 A G T 3 S+ 0 0 73 1,-0.3 -23,-0.0 -3,-0.1 -2,-0.0 0.105 94.9 123.0 93.9 -25.4 10.9 -7.7 24.1 82 84 A A < - 0 0 8 -3,-1.9 2,-0.4 -7,-0.1 -1,-0.3 -0.285 47.5-149.8 -67.0 156.0 11.5 -9.6 20.8 83 85 A R E -a 59 0A 76 -25,-2.6 -23,-2.4 -3,-0.1 2,-0.4 -0.988 14.1-155.7-136.3 145.7 11.7 -13.4 20.9 84 86 A L E -ac 60 110A 0 25,-2.5 27,-2.3 -2,-0.4 2,-0.4 -0.966 9.5-167.2-115.6 130.8 13.3 -16.2 19.1 85 87 A L E -ac 61 111A 0 -25,-2.7 -23,-3.0 -2,-0.4 2,-0.4 -0.974 9.4-167.5-113.4 130.8 11.8 -19.7 19.2 86 88 A T E -ac 62 112A 0 25,-2.5 27,-3.1 -2,-0.4 2,-0.5 -0.987 9.2-149.8-129.5 127.1 14.1 -22.5 17.9 87 89 A M E +ac 63 113A 5 -25,-2.6 -23,-2.5 -2,-0.4 2,-0.4 -0.855 19.5 172.3 -98.6 127.6 13.0 -26.1 17.0 88 90 A E E - c 0 114A 18 25,-2.7 27,-1.7 -2,-0.5 6,-0.1 -0.977 21.5-167.0-143.0 120.8 15.5 -28.9 17.4 89 91 A I S S+ 0 0 76 -2,-0.4 27,-0.1 25,-0.2 -1,-0.1 0.762 73.8 76.2 -79.4 -25.3 14.7 -32.6 17.1 90 92 A N > - 0 0 62 1,-0.1 4,-2.6 25,-0.1 3,-0.2 -0.758 67.2-155.5 -93.7 116.8 18.0 -33.8 18.6 91 93 A P H > S+ 0 0 90 0, 0.0 4,-2.2 0, 0.0 5,-0.1 0.841 95.2 56.0 -63.9 -28.3 18.1 -33.5 22.4 92 94 A D H > S+ 0 0 117 2,-0.2 4,-2.2 1,-0.2 5,-0.1 0.920 110.3 45.1 -66.6 -43.7 21.9 -33.3 22.5 93 95 A C H > S+ 0 0 16 -3,-0.2 4,-3.0 2,-0.2 5,-0.2 0.900 111.1 53.4 -65.0 -42.4 21.8 -30.4 20.0 94 96 A A H X S+ 0 0 5 -4,-2.6 4,-2.1 1,-0.2 -2,-0.2 0.912 110.0 48.2 -60.6 -41.6 19.1 -28.7 22.1 95 97 A A H X S+ 0 0 49 -4,-2.2 4,-2.2 2,-0.2 -2,-0.2 0.933 112.8 47.2 -63.0 -48.4 21.2 -29.0 25.2 96 98 A I H X S+ 0 0 9 -4,-2.2 4,-2.5 1,-0.2 -2,-0.2 0.922 111.4 51.5 -58.0 -46.4 24.3 -27.6 23.5 97 99 A T H X S+ 0 0 0 -4,-3.0 4,-2.5 -31,-0.4 5,-0.2 0.906 108.8 50.9 -59.7 -40.8 22.3 -24.7 22.0 98 100 A Q H X S+ 0 0 67 -4,-2.1 4,-2.8 -5,-0.2 -1,-0.2 0.927 111.7 47.0 -65.8 -40.4 20.9 -23.8 25.4 99 101 A Q H X S+ 0 0 80 -4,-2.2 4,-2.7 2,-0.2 -1,-0.2 0.885 111.1 52.5 -68.9 -34.3 24.4 -23.7 27.0 100 102 A M H X S+ 0 0 0 -4,-2.5 4,-2.0 2,-0.2 -2,-0.2 0.935 112.0 44.9 -64.0 -46.9 25.6 -21.7 24.1 101 103 A L H X>S+ 0 0 0 -4,-2.5 5,-2.5 2,-0.2 4,-0.8 0.910 112.3 52.1 -61.2 -47.7 22.9 -19.1 24.6 102 104 A N H ><5S+ 0 0 77 -4,-2.8 3,-1.0 1,-0.2 -2,-0.2 0.932 109.8 49.1 -53.1 -50.9 23.4 -19.1 28.3 103 105 A F H 3<5S+ 0 0 40 -4,-2.7 -85,-3.3 1,-0.3 -84,-0.3 0.912 111.7 48.8 -57.4 -41.4 27.1 -18.4 27.9 104 106 A A H 3<5S- 0 0 2 -4,-2.0 -1,-0.3 -87,-0.2 -2,-0.2 0.586 112.9-119.8 -77.0 -11.7 26.4 -15.6 25.4 105 107 A G T <<5S+ 0 0 41 -3,-1.0 3,-0.3 -4,-0.8 -3,-0.2 0.663 83.2 114.6 80.8 20.5 23.9 -14.1 27.9 106 108 A L >>< + 0 0 17 -5,-2.5 3,-1.5 -6,-0.2 4,-0.6 0.328 32.4 110.6-105.9 10.5 21.0 -14.4 25.4 107 109 A Q G >4 + 0 0 69 -6,-0.6 3,-0.7 1,-0.3 -1,-0.2 0.780 69.6 61.1 -62.6 -28.1 18.9 -17.0 27.2 108 110 A D G 34 S+ 0 0 149 -3,-0.3 -1,-0.3 1,-0.2 -2,-0.1 0.811 105.8 47.4 -70.1 -24.8 16.1 -14.6 28.1 109 111 A K G <4 S+ 0 0 47 -3,-1.5 -25,-2.5 -26,-0.1 2,-0.4 0.572 105.0 66.9 -88.7 -12.8 15.3 -13.9 24.4 110 112 A V E << -c 84 0A 8 -3,-0.7 2,-0.5 -4,-0.6 -25,-0.2 -0.900 54.2-166.2-122.7 138.3 15.2 -17.5 23.2 111 113 A T E -c 85 0A 51 -27,-2.3 -25,-2.5 -2,-0.4 2,-0.5 -0.993 16.2-146.7-121.4 122.7 13.0 -20.5 23.8 112 114 A I E -c 86 0A 19 -2,-0.5 2,-0.5 -27,-0.2 -25,-0.2 -0.762 7.6-158.8 -90.3 129.1 14.2 -24.0 22.7 113 115 A L E -c 87 0A 1 -27,-3.1 -25,-2.7 -2,-0.5 2,-0.7 -0.959 7.3-150.3-109.6 120.4 11.5 -26.4 21.5 114 116 A N E +c 88 0A 101 -2,-0.5 2,-0.3 -27,-0.2 -25,-0.2 -0.816 57.3 58.0 -96.5 112.1 12.6 -30.0 21.7 115 117 A G S S- 0 0 20 -27,-1.7 2,-0.4 -2,-0.7 -25,-0.1 -0.926 91.2 -53.2 157.2-179.1 10.9 -32.1 19.0 116 118 A A >> - 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