==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-JAN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 26-SEP-09 3A7D . COMPND 2 MOLECULE: CATECHOL O-METHYLTRANSFERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: RATTUS NORVEGICUS; . AUTHOR E.TSUJI . 214 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9461.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 154 72.0 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 . 16 7.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 16 7.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 72 33.6 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 2 A G 0 0 131 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 114.2 30.7 4.7 -30.4 2 3 A D - 0 0 70 0, 0.0 2,-0.0 0, 0.0 5,-0.0 0.585 360.0-142.0 112.5 93.0 27.3 4.4 -28.7 3 4 A T > - 0 0 61 1,-0.1 4,-1.6 4,-0.0 5,-0.1 -0.286 21.0-116.3 -81.2 164.1 27.0 1.9 -25.8 4 5 A K H > S+ 0 0 49 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.869 116.5 57.3 -63.4 -38.9 24.0 -0.3 -24.9 5 6 A E H > S+ 0 0 17 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.841 106.2 49.3 -62.1 -35.2 23.6 1.6 -21.6 6 7 A Q H > S+ 0 0 89 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.851 110.7 50.6 -71.2 -36.4 23.2 4.8 -23.6 7 8 A R H X S+ 0 0 67 -4,-1.6 4,-2.5 2,-0.2 -2,-0.2 0.896 107.8 53.0 -66.4 -41.6 20.6 3.2 -25.8 8 9 A I H X S+ 0 0 0 -4,-2.6 4,-1.6 1,-0.2 -2,-0.2 0.933 112.7 44.0 -58.3 -48.1 18.7 1.9 -22.8 9 10 A L H X S+ 0 0 10 -4,-1.8 4,-2.4 2,-0.2 -1,-0.2 0.886 110.2 54.8 -64.5 -42.9 18.5 5.5 -21.4 10 11 A R H X S+ 0 0 110 -4,-2.2 4,-1.4 1,-0.2 -1,-0.2 0.929 108.3 50.0 -58.5 -44.8 17.7 7.0 -24.7 11 12 A Y H X S+ 0 0 33 -4,-2.5 4,-2.2 1,-0.2 5,-0.3 0.854 109.3 51.7 -59.8 -37.9 14.7 4.6 -25.0 12 13 A V H X S+ 0 0 0 -4,-1.6 4,-2.4 1,-0.2 -2,-0.2 0.901 108.8 50.6 -65.6 -41.4 13.6 5.6 -21.4 13 14 A Q H < S+ 0 0 84 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.784 115.8 42.6 -68.2 -27.7 13.7 9.3 -22.3 14 15 A Q H < S+ 0 0 137 -4,-1.4 -2,-0.2 -5,-0.2 -1,-0.2 0.831 128.0 24.8 -85.6 -36.1 11.6 8.6 -25.5 15 16 A N H < S+ 0 0 92 -4,-2.2 2,-0.2 -5,-0.2 -2,-0.2 0.591 102.7 82.1-111.3 -14.7 9.0 6.2 -24.0 16 17 A A S < S- 0 0 11 -4,-2.4 8,-0.1 -5,-0.3 6,-0.0 -0.593 76.0-115.3 -97.9 158.2 8.7 6.8 -20.3 17 18 A K > - 0 0 125 3,-0.3 3,-1.8 -2,-0.2 7,-0.2 -0.803 36.7-114.6 -91.9 121.9 6.7 9.4 -18.4 18 19 A P T 3 S+ 0 0 71 0, 0.0 87,-0.2 0, 0.0 86,-0.1 -0.318 99.0 16.5 -57.6 131.8 9.0 11.9 -16.5 19 20 A G T 3 S+ 0 0 50 85,-3.2 86,-0.2 1,-0.1 85,-0.1 0.553 100.3 107.5 81.8 7.9 8.6 11.7 -12.7 20 21 A D <> - 0 0 68 -3,-1.8 4,-1.6 84,-0.3 -3,-0.3 -0.899 48.0-171.2-120.8 99.5 6.8 8.3 -12.9 21 22 A P H > S+ 0 0 23 0, 0.0 4,-2.2 0, 0.0 5,-0.2 0.814 84.3 57.8 -61.4 -35.2 9.1 5.5 -11.7 22 23 A Q H > S+ 0 0 63 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.967 107.0 51.0 -59.2 -48.4 6.8 2.6 -12.8 23 24 A S H > S+ 0 0 21 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.872 108.1 50.6 -51.3 -48.3 7.1 4.0 -16.4 24 25 A V H X S+ 0 0 0 -4,-1.6 4,-2.0 -7,-0.2 -1,-0.2 0.922 112.1 48.0 -59.7 -44.4 10.9 4.1 -16.3 25 26 A L H X S+ 0 0 0 -4,-2.2 4,-2.3 2,-0.2 -2,-0.2 0.893 111.3 49.7 -63.0 -43.1 11.0 0.5 -15.1 26 27 A E H X S+ 0 0 102 -4,-2.6 4,-2.9 2,-0.2 5,-0.2 0.904 108.7 53.0 -64.6 -39.9 8.6 -0.7 -17.8 27 28 A A H X S+ 0 0 7 -4,-2.4 4,-3.5 2,-0.2 5,-0.2 0.955 111.1 45.4 -58.4 -52.5 10.6 1.1 -20.5 28 29 A I H X S+ 0 0 0 -4,-2.0 4,-2.8 2,-0.2 5,-0.2 0.927 113.9 49.4 -56.8 -48.4 13.8 -0.6 -19.5 29 30 A D H X S+ 0 0 16 -4,-2.3 4,-1.7 2,-0.2 -1,-0.2 0.930 113.9 45.6 -59.6 -46.8 12.2 -4.0 -19.2 30 31 A T H X S+ 0 0 50 -4,-2.9 4,-2.4 2,-0.2 3,-0.5 0.961 112.5 50.4 -59.9 -52.1 10.5 -3.6 -22.6 31 32 A Y H X>S+ 0 0 16 -4,-3.5 4,-2.6 1,-0.2 5,-1.4 0.917 116.2 42.6 -51.6 -45.8 13.7 -2.4 -24.2 32 33 A C H <5S+ 0 0 6 -4,-2.8 -1,-0.2 3,-0.2 -2,-0.2 0.647 113.5 50.6 -79.5 -18.8 15.6 -5.4 -22.7 33 34 A T H <5S+ 0 0 98 -4,-1.7 -1,-0.2 -3,-0.5 -2,-0.2 0.842 125.6 25.2 -81.6 -34.1 13.0 -8.0 -23.5 34 35 A Q H <5S+ 0 0 144 -4,-2.4 -2,-0.2 -5,-0.2 -3,-0.2 0.845 133.3 18.1 -98.9 -40.4 12.7 -7.0 -27.1 35 36 A K T <5S+ 0 0 129 -4,-2.6 2,-0.4 -5,-0.5 -3,-0.2 0.899 119.9 4.8-108.6 -56.5 15.9 -5.3 -28.3 36 37 A E < - 0 0 52 -5,-1.4 -1,-0.3 -32,-0.1 -2,-0.1 -0.975 62.0-127.8-139.7 126.3 19.0 -6.0 -26.2 37 38 A W + 0 0 103 -2,-0.4 2,-0.3 -3,-0.1 -4,-0.1 -0.474 36.2 175.5 -62.5 138.4 19.6 -8.2 -23.1 38 39 A A - 0 0 0 -2,-0.1 2,-1.3 -6,-0.1 -6,-0.0 -0.980 40.7-106.2-147.2 155.2 21.2 -6.1 -20.3 39 40 A M + 0 0 101 -2,-0.3 2,-0.1 2,-0.0 -2,-0.1 -0.117 65.7 135.5 -85.7 40.9 22.0 -7.1 -16.7 40 41 A N S S- 0 0 5 -2,-1.3 158,-0.2 1,-0.1 -2,-0.1 -0.387 70.2-108.6 -71.5 162.6 19.3 -5.2 -14.9 41 42 A V > - 0 0 1 -2,-0.1 4,-0.5 1,-0.1 5,-0.2 0.872 55.9-148.2 -64.5 -33.3 17.5 -7.1 -12.1 42 43 A G H > - 0 0 1 3,-0.2 4,-1.9 1,-0.1 -1,-0.1 -0.043 24.7 -76.6 84.1 168.1 14.4 -7.3 -14.3 43 44 A D H > S+ 0 0 55 2,-0.2 4,-1.6 3,-0.2 -1,-0.1 0.827 123.6 55.4 -76.1 -34.7 10.7 -7.4 -13.4 44 45 A A H > S+ 0 0 53 2,-0.2 4,-0.9 1,-0.2 -1,-0.2 0.954 120.0 30.9 -64.9 -50.8 10.5 -11.0 -12.1 45 46 A K H X S+ 0 0 1 -4,-0.5 4,-2.4 151,-0.2 -2,-0.2 0.817 114.7 63.1 -76.3 -31.6 13.3 -10.6 -9.5 46 47 A G H X S+ 0 0 0 -4,-1.9 4,-1.9 1,-0.2 -2,-0.2 0.830 99.0 55.9 -57.6 -34.3 12.3 -6.9 -9.1 47 48 A Q H X S+ 0 0 113 -4,-1.6 4,-1.9 2,-0.2 -1,-0.2 0.885 107.2 47.1 -68.7 -40.0 8.9 -8.1 -7.8 48 49 A I H X S+ 0 0 34 -4,-0.9 4,-2.6 2,-0.2 5,-0.2 0.951 110.8 53.2 -62.5 -48.4 10.5 -10.2 -5.1 49 50 A M H X S+ 0 0 0 -4,-2.4 4,-2.2 1,-0.2 -2,-0.2 0.869 107.6 52.1 -48.5 -44.0 12.8 -7.2 -4.2 50 51 A D H X S+ 0 0 22 -4,-1.9 4,-2.7 2,-0.2 -1,-0.2 0.924 109.2 48.8 -61.6 -46.7 9.6 -5.1 -3.9 51 52 A A H X S+ 0 0 63 -4,-1.9 4,-1.9 1,-0.2 -2,-0.2 0.898 111.4 49.2 -62.9 -44.0 8.0 -7.6 -1.5 52 53 A V H X S+ 0 0 4 -4,-2.6 4,-1.4 2,-0.2 -1,-0.2 0.894 112.2 49.5 -60.8 -41.7 11.2 -7.7 0.7 53 54 A I H X S+ 0 0 2 -4,-2.2 4,-2.9 -5,-0.2 3,-0.3 0.930 109.2 50.1 -63.8 -48.2 11.3 -3.9 0.8 54 55 A R H < S+ 0 0 183 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.857 108.3 55.5 -62.2 -35.0 7.7 -3.5 1.8 55 56 A E H < S+ 0 0 124 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.2 0.878 120.9 26.0 -62.7 -39.6 8.2 -6.0 4.6 56 57 A Y H < S- 0 0 74 -4,-1.4 -2,-0.2 -3,-0.3 -1,-0.2 0.692 80.3-154.8-103.1 -20.8 11.1 -4.2 6.2 57 58 A S < - 0 0 67 -4,-2.9 -3,-0.1 -5,-0.2 -4,-0.1 0.935 24.6-152.6 40.2 64.7 10.5 -0.6 5.2 58 59 A P - 0 0 6 0, 0.0 22,-0.3 0, 0.0 3,-0.2 -0.338 19.7-157.6 -66.6 146.0 14.3 0.2 5.6 59 60 A S S S+ 0 0 79 1,-0.3 25,-3.1 24,-0.1 2,-0.4 0.757 85.5 32.4 -89.1 -31.6 15.3 3.7 6.5 60 61 A L E S-a 84 0A 36 23,-0.2 75,-1.5 25,-0.0 76,-1.5 -0.974 70.9-178.3-132.6 119.2 18.8 3.3 5.1 61 62 A V E -ab 85 136A 0 23,-2.1 25,-3.6 -2,-0.4 2,-0.5 -0.932 10.3-160.0-117.2 138.1 19.6 1.0 2.2 62 63 A L E -ab 86 137A 0 74,-2.5 76,-2.9 -2,-0.4 2,-0.4 -0.982 7.7-166.5-115.4 128.8 23.0 0.3 0.6 63 64 A E E -ab 87 138A 0 23,-3.1 25,-2.9 -2,-0.5 2,-0.7 -0.953 10.8-149.3-113.8 131.9 23.3 -1.0 -2.9 64 65 A L E S+ab 88 139A 0 74,-3.0 76,-1.7 -2,-0.4 25,-0.1 -0.882 76.7 11.4-101.4 110.7 26.5 -2.5 -4.3 65 66 A G - 0 0 11 23,-2.6 24,-0.2 -2,-0.7 -1,-0.2 0.658 58.3-167.5 88.8 110.4 26.6 -1.9 -8.1 66 67 A A > + 0 0 3 22,-0.2 3,-1.8 1,-0.2 2,-0.5 0.850 16.8 171.3 -92.5 -41.6 24.1 0.5 -9.7 67 68 A Y T 3 S- 0 0 20 1,-0.3 31,-0.5 2,-0.1 -1,-0.2 -0.543 77.1 -11.3 62.9-114.0 24.7 -0.2 -13.4 68 69 A C T 3 S- 0 0 0 -2,-0.5 -1,-0.3 29,-0.1 33,-0.2 0.537 99.9-104.3 -93.9 -8.0 21.9 1.7 -15.2 69 70 A G S <> S+ 0 0 0 -3,-1.8 4,-2.3 32,-0.1 5,-0.2 0.560 80.2 130.5 98.2 10.2 19.9 2.5 -12.1 70 71 A Y H > S+ 0 0 3 -4,-0.3 4,-2.6 2,-0.2 5,-0.1 0.961 78.8 35.4 -59.2 -57.2 17.1 -0.0 -12.6 71 72 A S H > S+ 0 0 3 -5,-0.4 4,-2.5 1,-0.2 5,-0.2 0.832 115.2 58.4 -71.6 -29.1 17.2 -1.6 -9.1 72 73 A A H > S+ 0 0 0 -6,-0.3 4,-2.5 2,-0.2 -1,-0.2 0.911 110.0 43.5 -62.2 -43.7 18.0 1.9 -7.6 73 74 A V H X S+ 0 0 0 -4,-2.3 4,-1.3 2,-0.2 -2,-0.2 0.895 112.2 54.0 -66.5 -43.7 14.8 3.2 -9.2 74 75 A R H < S+ 0 0 5 -4,-2.6 4,-0.2 -5,-0.2 -2,-0.2 0.922 117.0 36.4 -54.6 -45.5 12.9 0.1 -8.1 75 76 A M H >< S+ 0 0 0 -4,-2.5 3,-1.4 1,-0.2 4,-0.5 0.901 112.9 53.3 -79.0 -45.2 14.0 0.5 -4.4 76 77 A A H 3< S+ 0 0 1 -4,-2.5 3,-0.3 1,-0.3 -1,-0.2 0.713 101.8 61.8 -67.4 -20.6 13.9 4.3 -4.0 77 78 A R T 3< S+ 0 0 62 -4,-1.3 -1,-0.3 1,-0.2 -2,-0.2 0.654 106.1 46.4 -78.8 -15.1 10.4 4.5 -5.3 78 79 A L S < S+ 0 0 41 -3,-1.4 2,-0.2 -4,-0.2 -1,-0.2 0.473 88.2 112.8-102.7 -5.4 9.2 2.3 -2.4 79 80 A L - 0 0 14 -4,-0.5 3,-0.1 -3,-0.3 -20,-0.1 -0.485 68.5-118.8 -76.2 136.3 11.1 4.2 0.4 80 81 A Q > - 0 0 117 -22,-0.3 3,-1.8 -2,-0.2 -1,-0.1 -0.184 47.3 -78.5 -60.2 159.2 9.2 6.2 3.0 81 82 A P T 3 S+ 0 0 115 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.406 123.1 23.5 -60.7 139.7 9.8 9.9 3.3 82 83 A G T 3 S+ 0 0 64 1,-0.3 2,-0.2 -3,-0.1 -2,-0.1 0.214 97.4 117.7 84.4 -16.7 13.1 10.6 5.1 83 84 A A < - 0 0 4 -3,-1.8 -1,-0.3 -7,-0.1 2,-0.3 -0.581 49.3-159.9 -79.8 148.1 14.4 7.1 4.1 84 85 A R E -a 60 0A 106 -25,-3.1 -23,-2.1 -2,-0.2 2,-0.4 -0.897 16.6-147.2-133.3 158.8 17.5 7.0 1.9 85 86 A L E -ac 61 111A 0 25,-2.1 27,-2.3 -2,-0.3 2,-0.5 -0.989 7.6-163.0-123.4 131.6 19.4 4.8 -0.5 86 87 A L E -ac 62 112A 16 -25,-3.6 -23,-3.1 -2,-0.4 2,-0.4 -0.957 11.3-170.1-109.4 134.3 23.2 4.8 -1.0 87 88 A T E -ac 63 113A 0 25,-2.4 27,-3.3 -2,-0.5 2,-0.6 -0.987 11.0-149.1-131.5 127.7 24.5 3.1 -4.1 88 89 A M E +ac 64 114A 5 -25,-2.9 -23,-2.6 -2,-0.4 2,-0.4 -0.831 20.4 171.3 -98.8 121.4 28.1 2.3 -4.9 89 90 A E E - c 0 115A 15 25,-2.5 27,-2.2 -2,-0.6 28,-0.1 -0.983 18.9-169.6-134.3 122.1 29.2 2.4 -8.5 90 91 A M S S+ 0 0 121 -2,-0.4 27,-0.2 25,-0.2 -1,-0.1 0.743 72.7 74.0 -82.4 -24.9 32.8 2.1 -9.6 91 92 A N > - 0 0 44 25,-0.2 4,-2.4 1,-0.1 3,-0.3 -0.822 68.0-156.4 -97.0 108.4 32.3 3.0 -13.3 92 93 A P H > S+ 0 0 86 0, 0.0 4,-1.3 0, 0.0 -1,-0.1 0.757 91.3 56.9 -59.7 -28.6 31.6 6.8 -13.7 93 94 A D H > S+ 0 0 115 2,-0.2 4,-2.4 1,-0.2 3,-0.4 0.955 110.6 41.8 -65.2 -51.0 29.8 6.3 -17.0 94 95 A Y H > S+ 0 0 64 -3,-0.3 4,-2.9 1,-0.2 -1,-0.2 0.880 111.9 56.9 -63.2 -36.7 27.3 3.9 -15.5 95 96 A A H X S+ 0 0 4 -4,-2.4 4,-2.0 2,-0.2 -1,-0.2 0.822 108.0 47.6 -61.2 -33.5 27.1 6.1 -12.5 96 97 A A H X S+ 0 0 51 -4,-1.3 4,-2.4 -3,-0.4 -2,-0.2 0.905 109.8 50.8 -75.3 -45.1 26.1 9.0 -14.9 97 98 A I H X S+ 0 0 16 -4,-2.4 4,-2.4 1,-0.2 -2,-0.2 0.943 112.6 49.3 -49.3 -51.3 23.5 6.8 -16.7 98 99 A T H X S+ 0 0 0 -4,-2.9 4,-2.5 -31,-0.5 5,-0.2 0.890 108.2 51.8 -57.7 -47.6 22.2 6.0 -13.2 99 100 A Q H X S+ 0 0 71 -4,-2.0 4,-2.1 1,-0.2 -1,-0.2 0.918 113.6 44.2 -57.3 -45.2 22.0 9.6 -12.1 100 101 A Q H X S+ 0 0 96 -4,-2.4 4,-2.5 2,-0.2 -2,-0.2 0.837 111.4 53.8 -71.4 -32.0 20.1 10.6 -15.2 101 102 A M H X S+ 0 0 0 -4,-2.4 4,-1.6 -5,-0.2 -2,-0.2 0.897 112.3 44.3 -64.8 -41.6 17.8 7.6 -14.9 102 103 A L H X>S+ 0 0 0 -4,-2.5 5,-2.7 2,-0.2 4,-0.7 0.848 111.9 53.4 -73.4 -34.6 17.0 8.6 -11.3 103 104 A N H ><5S+ 0 0 72 -4,-2.1 3,-0.9 -5,-0.2 -2,-0.2 0.932 108.5 48.7 -64.0 -47.2 16.6 12.2 -12.4 104 105 A F H 3<5S+ 0 0 39 -4,-2.5 -85,-3.2 1,-0.3 -84,-0.3 0.871 111.3 51.4 -58.0 -39.0 14.1 11.3 -15.1 105 106 A A H 3<5S- 0 0 1 -4,-1.6 -1,-0.3 -87,-0.2 -2,-0.2 0.638 110.9-124.4 -74.9 -14.2 12.2 9.2 -12.5 106 107 A G T <<5S+ 0 0 44 -3,-0.9 -3,-0.2 -4,-0.7 3,-0.1 0.827 82.7 112.1 72.7 32.0 12.1 12.1 -10.1 107 108 A L > < + 0 0 18 -5,-2.7 3,-2.0 -6,-0.1 4,-0.4 0.243 31.8 110.9-115.1 9.1 13.8 10.1 -7.4 108 109 A Q G > S+ 0 0 69 -6,-0.6 3,-0.6 1,-0.3 -5,-0.1 0.723 72.1 60.2 -64.0 -23.4 17.2 11.9 -7.3 109 110 A D G 3 S+ 0 0 133 1,-0.2 -1,-0.3 -7,-0.1 -2,-0.1 0.514 102.7 51.9 -83.5 -5.0 16.5 13.3 -3.8 110 111 A K G < S+ 0 0 40 -3,-2.0 -25,-2.1 -26,-0.1 2,-0.4 0.481 105.5 63.4-104.0 -6.5 16.2 9.9 -2.2 111 112 A V E < -c 85 0A 12 -3,-0.6 2,-0.5 -4,-0.4 -25,-0.2 -0.950 54.5-165.1-129.5 137.2 19.5 8.5 -3.6 112 113 A T E -c 86 0A 67 -27,-2.3 -25,-2.4 -2,-0.4 2,-0.6 -0.992 17.1-149.6-114.8 123.4 23.1 9.3 -3.2 113 114 A I E -c 87 0A 21 -2,-0.5 2,-0.6 -27,-0.2 -25,-0.2 -0.838 9.2-153.5 -89.7 123.9 25.4 7.7 -5.8 114 115 A L E -c 88 0A 2 -27,-3.3 -25,-2.5 -2,-0.6 2,-0.7 -0.889 11.4-138.2 -99.0 123.2 28.9 7.0 -4.3 115 116 A N E +c 89 0A 110 -2,-0.6 2,-0.2 -27,-0.2 -25,-0.2 -0.717 61.8 43.5 -86.5 113.4 31.6 7.0 -7.0 116 117 A G S S- 0 0 21 -27,-2.2 2,-0.2 -2,-0.7 -25,-0.2 -0.797 91.1 -47.6 145.2 176.4 34.1 4.2 -6.5 117 118 A A >> - 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