==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-MAY-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE/TRANSFERASE INHIBITOR 25-MAY-11 3S68 . COMPND 2 MOLECULE: CATECHOL O-METHYLTRANSFERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: RATTUS NORVEGICUS; . AUTHOR A.EHLER,D.SCHLATTER,M.STIHLE,J.BENZ,M.G.RUDOLPH . 214 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9196.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 159 74.3 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 . 15 7.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.5 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 . 15 7.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 18 8.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 75 35.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 2.3 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 1 0 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 ANTIPARALLEL BRIDGES PER LADDER . 0 0 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 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 0 120 0, 0.0 2,-0.2 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 114.6 -22.7 34.1 80.5 2 4 A T > - 0 0 54 1,-0.1 4,-2.4 0, 0.0 5,-0.2 -0.593 360.0-115.4-102.0 159.3 -20.5 34.9 77.4 3 5 A K H > S+ 0 0 51 1,-0.2 4,-2.6 2,-0.2 5,-0.1 0.869 119.5 53.6 -57.1 -35.5 -18.7 32.7 74.9 4 6 A E H > S+ 0 0 18 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.911 107.7 49.0 -69.3 -40.9 -15.4 34.1 76.2 5 7 A Q H > S+ 0 0 93 2,-0.2 4,-2.6 1,-0.2 -2,-0.2 0.878 110.5 52.5 -60.2 -37.5 -16.4 33.2 79.8 6 8 A R H X S+ 0 0 59 -4,-2.4 4,-2.6 2,-0.2 -2,-0.2 0.929 108.5 49.3 -64.3 -46.5 -17.2 29.7 78.5 7 9 A I H X S+ 0 0 0 -4,-2.6 4,-2.4 1,-0.2 -2,-0.2 0.964 112.7 47.8 -56.9 -52.8 -13.8 29.4 76.8 8 10 A L H X S+ 0 0 18 -4,-2.5 4,-2.9 1,-0.2 5,-0.2 0.917 112.2 48.8 -53.6 -48.4 -12.1 30.5 80.0 9 11 A R H X S+ 0 0 106 -4,-2.6 4,-2.4 1,-0.2 -1,-0.2 0.905 110.1 51.5 -62.7 -40.1 -14.1 28.1 82.2 10 12 A Y H X S+ 0 0 59 -4,-2.6 4,-1.5 2,-0.2 5,-0.3 0.919 110.2 49.3 -65.3 -37.0 -13.4 25.2 79.8 11 13 A V H >X S+ 0 0 0 -4,-2.4 4,-2.9 -5,-0.2 3,-0.7 0.975 111.9 48.0 -65.1 -48.8 -9.7 26.0 80.1 12 14 A Q H 3< S+ 0 0 91 -4,-2.9 -2,-0.2 1,-0.2 -1,-0.2 0.855 116.2 45.4 -59.2 -32.9 -9.8 26.1 83.9 13 15 A Q H 3< S+ 0 0 135 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.723 128.8 21.6 -82.6 -18.5 -11.8 22.8 83.9 14 16 A N H << S+ 0 0 88 -4,-1.5 -3,-0.2 -3,-0.7 -2,-0.2 0.745 101.4 76.7-122.7 -36.9 -9.5 21.0 81.4 15 17 A A S < S- 0 0 13 -4,-2.9 8,-0.1 -5,-0.3 6,-0.0 -0.320 79.5-104.5 -82.0 164.9 -6.0 22.4 81.0 16 18 A K > - 0 0 139 3,-0.3 3,-1.9 -2,-0.1 7,-0.2 -0.803 39.3-114.5 -87.5 121.0 -3.0 22.0 83.3 17 19 A P T 3 S+ 0 0 94 0, 0.0 87,-0.2 0, 0.0 86,-0.1 -0.250 101.6 17.6 -50.3 131.7 -2.3 25.1 85.4 18 20 A G T 3 S+ 0 0 51 85,-3.2 86,-0.2 84,-0.1 85,-0.1 0.578 98.6 110.7 79.5 10.0 1.1 26.6 84.4 19 21 A D <> - 0 0 52 -3,-1.9 4,-2.0 84,-0.3 3,-0.3 -0.814 44.6-174.6-121.0 92.0 1.2 24.6 81.1 20 22 A P H > S+ 0 0 26 0, 0.0 4,-2.6 0, 0.0 5,-0.2 0.888 85.5 53.5 -58.3 -41.7 0.8 27.0 78.1 21 23 A Q H > S+ 0 0 64 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.918 108.7 50.6 -55.3 -43.2 0.7 24.2 75.6 22 24 A S H > S+ 0 0 19 -3,-0.3 4,-1.7 1,-0.2 -1,-0.2 0.895 110.1 49.7 -63.3 -39.1 -2.2 22.5 77.5 23 25 A V H X S+ 0 0 0 -4,-2.0 4,-2.5 -7,-0.2 5,-0.2 0.921 110.3 50.1 -65.8 -45.3 -4.1 25.8 77.6 24 26 A L H X S+ 0 0 0 -4,-2.6 4,-2.6 1,-0.2 -2,-0.2 0.918 111.5 48.3 -55.9 -47.5 -3.7 26.3 73.9 25 27 A E H X S+ 0 0 102 -4,-2.3 4,-2.4 1,-0.2 -1,-0.2 0.825 110.2 52.4 -68.0 -31.2 -4.9 22.8 73.1 26 28 A A H X S+ 0 0 7 -4,-1.7 4,-2.7 2,-0.2 -1,-0.2 0.938 110.6 46.1 -70.0 -47.2 -7.9 23.2 75.4 27 29 A I H X S+ 0 0 0 -4,-2.5 4,-2.6 2,-0.2 5,-0.3 0.948 114.0 49.8 -60.0 -47.8 -9.0 26.5 73.7 28 30 A D H X S+ 0 0 15 -4,-2.6 4,-1.6 -5,-0.2 5,-0.2 0.937 110.9 49.6 -56.6 -44.3 -8.5 24.9 70.3 29 31 A T H X S+ 0 0 50 -4,-2.4 4,-2.4 1,-0.2 5,-0.3 0.943 112.3 46.9 -62.9 -46.4 -10.6 21.8 71.4 30 32 A Y H X>S+ 0 0 24 -4,-2.7 4,-2.7 1,-0.2 5,-1.7 0.882 115.1 45.2 -58.7 -44.3 -13.4 24.0 72.7 31 33 A C H <5S+ 0 0 5 -4,-2.6 -1,-0.2 3,-0.2 -2,-0.2 0.685 115.9 47.0 -77.1 -19.6 -13.6 26.2 69.7 32 34 A T H <5S+ 0 0 91 -4,-1.6 -2,-0.2 -3,-0.3 -1,-0.2 0.802 126.0 27.9 -86.3 -36.2 -13.3 23.2 67.3 33 35 A Q H <5S+ 0 0 131 -4,-2.4 -2,-0.2 -5,-0.2 -3,-0.2 0.731 134.9 16.1 -98.5 -24.6 -16.0 21.2 69.1 34 36 A K T <5S+ 0 0 143 -4,-2.7 2,-0.4 -5,-0.3 -3,-0.2 0.781 123.0 2.3-123.0 -54.2 -18.3 23.7 70.8 35 37 A E < - 0 0 51 -5,-1.7 -1,-0.2 -32,-0.1 -2,-0.1 -0.945 62.9-128.5-148.4 123.4 -18.2 27.3 69.5 36 38 A W + 0 0 107 -2,-0.4 2,-0.3 -4,-0.1 -4,-0.1 -0.374 34.6 177.6 -60.9 145.3 -16.1 28.8 66.8 37 39 A A - 0 0 0 2,-0.1 2,-1.4 -6,-0.1 -6,-0.0 -0.989 41.1-101.7-151.9 161.1 -14.1 31.9 67.9 38 40 A M + 0 0 34 -2,-0.3 2,-0.2 2,-0.0 -2,-0.0 -0.059 65.7 137.4 -83.5 40.2 -11.6 34.3 66.4 39 41 A N - 0 0 0 -2,-1.4 158,-0.2 1,-0.1 -2,-0.1 -0.517 69.7-113.2 -72.9 149.3 -8.4 32.9 67.9 40 42 A V > - 0 0 1 175,-2.0 4,-0.5 -2,-0.2 5,-0.2 0.860 58.6-151.0 -55.9 -28.5 -5.5 32.7 65.5 41 43 A G H > - 0 0 0 3,-0.2 4,-1.3 1,-0.1 -1,-0.1 -0.091 22.9 -69.4 85.1 173.4 -5.9 28.9 65.9 42 44 A D H > S+ 0 0 61 2,-0.2 4,-2.1 3,-0.2 -1,-0.1 0.854 121.8 53.4 -78.2 -33.9 -3.4 26.0 65.6 43 45 A A H > S+ 0 0 47 2,-0.2 4,-0.9 1,-0.2 -1,-0.1 0.974 120.4 31.6 -69.4 -53.7 -2.7 26.0 61.8 44 46 A K H X S+ 0 0 0 -4,-0.5 4,-2.4 151,-0.4 3,-0.4 0.852 114.9 63.8 -68.4 -31.6 -1.7 29.6 61.6 45 47 A G H X S+ 0 0 0 -4,-1.3 4,-2.8 1,-0.2 -2,-0.2 0.863 97.1 55.7 -64.5 -33.3 -0.3 29.4 65.2 46 48 A Q H X S+ 0 0 116 -4,-2.1 4,-1.7 2,-0.2 -1,-0.2 0.857 108.4 48.5 -64.3 -34.2 2.3 26.9 64.1 47 49 A I H X S+ 0 0 34 -4,-0.9 4,-2.4 -3,-0.4 -2,-0.2 0.920 110.0 51.2 -68.5 -45.9 3.5 29.4 61.5 48 50 A M H X S+ 0 0 0 -4,-2.4 4,-2.9 1,-0.2 5,-0.2 0.925 108.4 53.2 -51.2 -49.4 3.6 32.1 64.2 49 51 A D H X S+ 0 0 12 -4,-2.8 4,-2.4 2,-0.2 -1,-0.2 0.901 108.8 48.0 -51.7 -47.2 5.6 29.7 66.4 50 52 A A H X S+ 0 0 63 -4,-1.7 4,-2.2 2,-0.2 -1,-0.2 0.916 112.9 48.5 -67.2 -41.8 8.2 29.2 63.6 51 53 A V H X S+ 0 0 4 -4,-2.4 4,-2.4 2,-0.2 5,-0.3 0.948 111.5 49.4 -62.6 -49.5 8.5 32.9 63.0 52 54 A I H X S+ 0 0 3 -4,-2.9 4,-2.3 1,-0.2 -2,-0.2 0.931 112.0 49.0 -53.6 -46.3 8.9 33.7 66.7 53 55 A R H < S+ 0 0 159 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.884 109.7 52.0 -65.6 -36.1 11.6 31.1 67.0 54 56 A E H < S+ 0 0 129 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.938 120.8 31.0 -64.2 -44.8 13.4 32.4 64.0 55 57 A Y H < S- 0 0 75 -4,-2.4 -2,-0.2 -5,-0.1 -1,-0.2 0.637 82.7-155.0 -90.5 -18.2 13.6 36.1 65.2 56 58 A S < - 0 0 69 -4,-2.3 -3,-0.1 -5,-0.3 -4,-0.1 0.892 23.1-154.7 41.2 54.1 13.7 35.5 69.0 57 59 A P - 0 0 5 0, 0.0 22,-0.3 0, 0.0 3,-0.2 -0.322 19.2-158.0 -63.6 139.0 12.2 39.0 69.6 58 60 A S S S+ 0 0 80 1,-0.3 25,-2.9 24,-0.1 2,-0.4 0.773 84.7 29.6 -80.9 -30.6 12.9 40.7 73.0 59 61 A L E S-a 83 0A 16 23,-0.2 75,-2.0 2,-0.0 76,-1.3 -0.959 71.3-176.6-137.7 117.9 9.9 43.0 72.8 60 62 A V E -ab 84 135A 0 23,-2.7 25,-2.9 -2,-0.4 2,-0.5 -0.925 10.9-157.0-116.6 136.2 6.7 42.0 71.0 61 63 A L E -ab 85 136A 0 74,-2.4 76,-2.7 -2,-0.4 2,-0.4 -0.965 9.6-163.6-108.6 128.6 3.6 44.2 70.6 62 64 A E E -ab 86 137A 0 23,-3.4 25,-2.7 -2,-0.5 2,-0.7 -0.919 7.0-154.9-111.6 138.8 0.2 42.5 70.0 63 65 A L E S+ab 87 138A 0 74,-2.8 76,-1.7 -2,-0.4 25,-0.1 -0.918 75.1 16.9-112.6 106.0 -2.8 44.3 68.6 64 66 A G - 0 0 1 23,-2.4 -1,-0.2 -2,-0.7 24,-0.2 0.684 58.1-175.9 99.6 101.9 -6.0 42.6 69.6 65 67 A A > + 0 0 0 22,-0.3 3,-2.2 1,-0.2 2,-0.5 0.810 11.8 169.5 -98.0 -38.0 -5.9 40.1 72.5 66 68 A Y T 3 S- 0 0 3 1,-0.3 31,-0.5 149,-0.2 -1,-0.2 -0.429 79.2 -11.7 58.6-107.6 -9.4 38.7 72.6 67 69 A C T 3 S- 0 0 0 -2,-0.5 -1,-0.3 29,-0.1 33,-0.1 0.425 99.9-101.6-105.1 4.2 -9.1 35.7 75.0 68 70 A G S <> S+ 0 0 0 -3,-2.2 4,-2.8 32,-0.1 5,-0.3 0.468 81.6 129.7 93.9 4.4 -5.4 35.5 75.2 69 71 A Y H > S+ 0 0 0 -4,-0.3 4,-2.4 1,-0.2 5,-0.1 0.949 79.8 37.4 -55.0 -55.3 -4.9 32.6 72.8 70 72 A S H > S+ 0 0 0 -5,-0.4 4,-2.9 2,-0.2 5,-0.3 0.875 114.9 56.6 -68.0 -33.6 -2.2 34.3 70.6 71 73 A A H > S+ 0 0 0 -6,-0.3 4,-2.9 2,-0.2 5,-0.2 0.924 110.5 43.6 -61.3 -46.5 -0.7 36.0 73.7 72 74 A V H X S+ 0 0 0 -4,-2.8 4,-2.1 2,-0.2 -2,-0.2 0.926 112.6 54.7 -62.3 -43.9 -0.1 32.6 75.3 73 75 A R H < S+ 0 0 4 -4,-2.4 4,-0.3 -5,-0.3 -2,-0.2 0.945 116.9 34.1 -57.5 -47.2 1.1 31.2 72.1 74 76 A M H >X S+ 0 0 1 -4,-2.9 3,-1.7 1,-0.2 4,-0.5 0.934 115.8 54.4 -74.9 -45.9 3.8 33.8 71.6 75 77 A A H >< S+ 0 0 1 -4,-2.9 3,-1.2 -5,-0.3 -2,-0.2 0.856 98.8 62.4 -60.4 -33.7 4.7 34.3 75.3 76 78 A R T 3< S+ 0 0 50 -4,-2.1 -1,-0.3 1,-0.2 -2,-0.2 0.711 107.5 45.7 -66.3 -15.7 5.4 30.6 75.9 77 79 A L T <4 S+ 0 0 31 -3,-1.7 -1,-0.2 -4,-0.3 -2,-0.2 0.453 87.4 112.6-105.0 -3.4 8.2 30.9 73.3 78 80 A L S << S- 0 0 15 -3,-1.2 3,-0.1 -4,-0.5 -20,-0.1 -0.427 70.2-113.6 -71.7 146.7 9.9 34.1 74.5 79 81 A Q > - 0 0 113 -22,-0.3 3,-2.8 1,-0.2 -1,-0.1 -0.290 50.4 -73.5 -70.8 158.3 13.3 34.0 76.0 80 82 A P T 3 S+ 0 0 114 0, 0.0 -1,-0.2 0, 0.0 3,-0.1 -0.269 123.9 16.4 -54.8 139.0 13.8 34.8 79.7 81 83 A G T 3 S+ 0 0 74 1,-0.3 2,-0.1 -3,-0.1 -2,-0.1 0.343 95.0 125.6 79.3 -9.5 13.4 38.6 80.2 82 84 A A < - 0 0 9 -3,-2.8 2,-0.3 -7,-0.1 -1,-0.3 -0.477 48.1-147.2 -77.8 157.9 11.7 39.1 76.8 83 85 A R E -a 59 0A 84 -25,-2.9 -23,-2.7 -2,-0.1 2,-0.4 -0.970 16.5-156.7-132.3 147.2 8.3 40.8 77.0 84 86 A L E -ac 60 110A 0 25,-2.5 27,-2.1 -2,-0.3 2,-0.5 -0.985 8.3-167.2-117.4 131.8 4.9 40.9 75.2 85 87 A L E -ac 61 111A 0 -25,-2.9 -23,-3.4 -2,-0.4 2,-0.5 -0.972 10.0-168.2-110.7 128.3 2.6 43.9 75.4 86 88 A T E -ac 62 112A 0 25,-2.8 27,-2.9 -2,-0.5 2,-0.4 -0.984 9.1-151.0-125.1 127.1 -0.9 43.3 74.2 87 89 A M E +ac 63 113A 4 -25,-2.7 -23,-2.4 -2,-0.5 2,-0.4 -0.820 19.7 170.1 -96.5 131.0 -3.5 46.0 73.5 88 90 A E E - c 0 114A 0 25,-2.4 27,-2.0 -2,-0.4 28,-0.1 -0.964 19.6-169.5-143.2 121.3 -7.2 45.1 73.9 89 91 A M + 0 0 80 -2,-0.4 27,-0.2 25,-0.2 -1,-0.1 0.693 69.7 83.6 -88.3 -18.2 -10.1 47.7 73.8 90 92 A N > - 0 0 44 1,-0.2 4,-2.9 25,-0.2 5,-0.2 -0.758 65.0-159.4 -84.6 111.9 -12.8 45.4 75.0 91 93 A P H > S+ 0 0 93 0, 0.0 4,-2.1 0, 0.0 -1,-0.2 0.847 90.5 54.2 -64.2 -32.9 -12.7 45.3 78.8 92 94 A D H > S+ 0 0 112 2,-0.2 4,-1.6 1,-0.2 5,-0.1 0.921 112.7 42.8 -62.2 -45.1 -14.6 42.1 79.1 93 95 A Y H > S+ 0 0 44 2,-0.2 4,-3.0 1,-0.2 5,-0.2 0.898 111.1 54.6 -70.2 -39.1 -12.2 40.4 76.7 94 96 A A H X S+ 0 0 3 -4,-2.9 4,-2.3 1,-0.2 -1,-0.2 0.889 107.3 52.1 -62.0 -36.9 -9.1 42.0 78.4 95 97 A A H X S+ 0 0 61 -4,-2.1 4,-2.0 -5,-0.2 -1,-0.2 0.915 111.1 46.9 -61.6 -43.1 -10.4 40.5 81.8 96 98 A I H X S+ 0 0 14 -4,-1.6 4,-2.2 1,-0.2 -2,-0.2 0.935 110.5 52.2 -68.4 -46.6 -10.6 37.1 80.2 97 99 A T H X S+ 0 0 0 -4,-3.0 4,-2.5 -31,-0.5 5,-0.2 0.920 107.8 51.9 -52.7 -47.1 -7.1 37.4 78.6 98 100 A Q H X S+ 0 0 64 -4,-2.3 4,-2.5 1,-0.2 -1,-0.2 0.926 111.3 46.8 -59.3 -42.4 -5.6 38.3 82.0 99 101 A Q H X S+ 0 0 89 -4,-2.0 4,-2.4 2,-0.2 -1,-0.2 0.851 110.7 53.7 -66.6 -33.6 -7.1 35.3 83.6 100 102 A M H X S+ 0 0 0 -4,-2.2 4,-2.1 2,-0.2 -2,-0.2 0.921 110.2 45.7 -67.8 -43.7 -6.0 33.1 80.7 101 103 A L H X>S+ 0 0 0 -4,-2.5 5,-2.4 2,-0.2 4,-0.8 0.912 111.3 53.5 -62.9 -45.2 -2.4 34.3 81.1 102 104 A N H ><5S+ 0 0 62 -4,-2.5 3,-1.2 -5,-0.2 -2,-0.2 0.951 109.7 48.4 -52.4 -51.3 -2.6 33.8 84.9 103 105 A F H 3<5S+ 0 0 38 -4,-2.4 -85,-3.2 1,-0.3 -84,-0.3 0.915 110.7 49.1 -58.9 -44.6 -3.7 30.2 84.4 104 106 A A H 3<5S- 0 0 2 -4,-2.1 -1,-0.3 -87,-0.2 -2,-0.2 0.597 113.0-121.4 -71.1 -10.1 -1.0 29.4 81.9 105 107 A G T <<5S+ 0 0 43 -3,-1.2 3,-0.3 -4,-0.8 -3,-0.2 0.677 82.6 116.9 76.8 19.0 1.5 30.9 84.4 106 108 A L >>< + 0 0 12 -5,-2.4 3,-1.8 -6,-0.2 4,-0.9 0.343 31.4 109.1 -98.1 6.6 2.6 33.5 81.8 107 109 A Q G >4 S+ 0 0 68 -6,-0.7 3,-0.5 1,-0.3 -1,-0.2 0.814 71.5 59.1 -60.5 -32.0 1.4 36.6 83.6 108 110 A D G 34 S+ 0 0 151 -3,-0.3 -1,-0.3 1,-0.2 -2,-0.1 0.742 108.5 46.0 -70.2 -17.2 5.0 37.8 84.4 109 111 A K G <4 S+ 0 0 59 -3,-1.8 -25,-2.5 -26,-0.1 2,-0.4 0.614 106.1 64.0 -95.9 -15.9 5.8 38.0 80.7 110 112 A V E << -c 84 0A 6 -4,-0.9 2,-0.5 -3,-0.5 -25,-0.2 -0.907 56.4-166.1-122.3 137.1 2.7 39.7 79.4 111 113 A T E -c 85 0A 53 -27,-2.1 -25,-2.8 -2,-0.4 2,-0.5 -0.985 14.6-146.0-121.7 125.9 1.3 43.2 80.0 112 114 A I E -c 86 0A 20 -2,-0.5 2,-0.6 -27,-0.2 -25,-0.2 -0.841 6.2-160.2 -95.2 126.7 -2.2 44.0 79.0 113 115 A L E -c 87 0A 1 -27,-2.9 -25,-2.4 -2,-0.5 2,-0.5 -0.950 14.0-146.6-104.0 112.3 -2.9 47.6 77.8 114 116 A N E +c 88 0A 102 -2,-0.6 2,-0.3 -27,-0.2 -25,-0.2 -0.718 57.7 45.0 -84.4 120.6 -6.6 48.3 78.0 115 117 A G S S- 0 0 25 -27,-2.0 2,-0.4 -2,-0.5 -25,-0.2 -0.828 94.6 -38.7 142.1-171.9 -7.9 50.6 75.3 116 118 A A >> - 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