==== 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 TRANSFERASE 27-FEB-09 3GGD . COMPND 2 MOLECULE: SAM-DEPENDENT METHYLTRANSFERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ANABAENA VARIABILIS ATCC 29413; . AUTHOR JOINT CENTER FOR STRUCTURAL GENOMICS (JCSG) . 244 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10663.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 165 67.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 20 8.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 20 8.2 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 . 1 0.4 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 5.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 29 11.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 73 29.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 1.2 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 0 0 0 2 1 1 1 1 2 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 1 2 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 PARALLEL BRIDGES PER LADDER . 2 0 0 0 0 1 1 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 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 E 0 0 131 0, 0.0 179,-0.1 0, 0.0 173,-0.0 0.000 360.0 360.0 360.0-177.3 19.4 17.2 12.0 2 3 A K - 0 0 139 1,-0.1 2,-0.2 172,-0.0 169,-0.0 -0.252 360.0-116.8 -66.1 137.8 16.0 18.5 13.3 3 4 A L - 0 0 16 164,-0.2 2,-0.3 1,-0.0 -1,-0.1 -0.488 27.1-138.1 -72.4 143.6 15.4 22.3 13.9 4 5 A S - 0 0 49 3,-0.3 -1,-0.0 -2,-0.2 0, 0.0 -0.814 10.7-153.7-105.2 144.1 14.7 23.4 17.5 5 6 A A S S+ 0 0 65 -2,-0.3 191,-0.2 190,-0.0 -1,-0.1 0.898 97.4 20.5 -76.3 -46.1 12.1 25.9 18.6 6 7 A I S S+ 0 0 92 189,-0.1 -2,-0.1 2,-0.0 0, 0.0 0.947 111.2 68.8 -86.0 -73.0 14.0 26.9 21.8 7 8 A K + 0 0 69 -4,-0.1 -3,-0.3 1,-0.0 0, 0.0 -0.124 59.2 163.6 -56.0 139.2 17.8 25.9 21.4 8 9 A K - 0 0 83 -5,-0.1 2,-0.1 185,-0.0 184,-0.1 -0.983 44.3 -90.7-151.2 153.0 19.8 27.9 18.8 9 10 A P - 0 0 51 0, 0.0 2,-0.6 0, 0.0 184,-0.1 -0.489 44.8-118.2 -65.5 141.4 23.5 28.4 18.0 10 11 A D + 0 0 143 -2,-0.1 2,-0.3 126,-0.0 0, 0.0 -0.728 49.5 168.6 -81.7 121.0 24.9 31.5 19.9 11 12 A I - 0 0 31 -2,-0.6 2,-0.8 180,-0.1 3,-0.1 -0.885 49.2-115.5-133.3 162.5 26.1 34.0 17.3 12 13 A N > - 0 0 91 -2,-0.3 4,-2.6 1,-0.2 5,-0.2 -0.921 35.6-154.9 -90.8 109.3 27.2 37.5 16.7 13 14 A V H > S+ 0 0 9 -2,-0.8 4,-2.2 2,-0.2 5,-0.2 0.893 87.3 48.7 -59.1 -47.5 24.2 38.5 14.5 14 15 A A H > S+ 0 0 22 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.942 115.5 45.0 -58.2 -49.5 26.0 41.3 12.6 15 16 A D H > S+ 0 0 107 2,-0.2 4,-2.5 1,-0.2 -2,-0.2 0.887 111.3 51.7 -61.9 -43.7 29.0 39.0 11.8 16 17 A A H X S+ 0 0 8 -4,-2.6 4,-2.5 1,-0.2 -1,-0.2 0.940 112.2 45.8 -62.8 -46.4 26.9 36.0 10.8 17 18 A W H X S+ 0 0 5 -4,-2.2 4,-2.7 2,-0.2 5,-0.2 0.866 111.9 50.1 -66.5 -40.1 24.8 38.0 8.3 18 19 A E H X S+ 0 0 36 -4,-2.1 4,-3.0 -5,-0.2 5,-0.3 0.898 109.8 52.5 -65.1 -37.1 27.7 39.7 6.7 19 20 A Q H X S+ 0 0 118 -4,-2.5 4,-2.2 2,-0.2 -2,-0.2 0.955 112.1 46.2 -62.6 -42.9 29.4 36.3 6.3 20 21 A Y H X S+ 0 0 0 -4,-2.5 4,-2.4 2,-0.2 -2,-0.2 0.939 115.8 44.0 -61.5 -49.4 26.3 35.0 4.6 21 22 A W H X S+ 0 0 0 -4,-2.7 4,-3.1 1,-0.2 -1,-0.2 0.881 111.9 52.3 -69.6 -36.4 25.9 38.0 2.3 22 23 A N H X S+ 0 0 67 -4,-3.0 4,-3.0 2,-0.2 5,-0.3 0.913 110.4 48.4 -65.6 -39.2 29.5 38.2 1.5 23 24 A K H X S+ 0 0 42 -4,-2.2 4,-2.4 -5,-0.3 -2,-0.2 0.921 113.5 48.5 -62.2 -42.9 29.4 34.5 0.5 24 25 A T H X>S+ 0 0 8 -4,-2.4 4,-2.0 -5,-0.2 5,-0.6 0.930 113.1 47.2 -60.8 -47.2 26.3 35.3 -1.6 25 26 A L H <5S+ 0 0 50 -4,-3.1 -2,-0.2 2,-0.2 -1,-0.2 0.934 116.6 43.0 -59.3 -52.9 28.0 38.3 -3.2 26 27 A V H <5S+ 0 0 96 -4,-3.0 -2,-0.2 -5,-0.2 -1,-0.2 0.922 127.6 27.9 -60.3 -42.9 31.2 36.5 -4.1 27 28 A N H <5S- 0 0 98 -4,-2.4 -2,-0.2 -5,-0.3 -1,-0.2 0.480 93.2-130.0-108.2 -3.8 29.6 33.3 -5.3 28 29 A S T <5 + 0 0 107 -4,-2.0 -3,-0.2 -5,-0.2 -4,-0.1 0.911 45.5 169.0 53.7 52.7 26.3 34.3 -6.6 29 30 A T < - 0 0 29 -5,-0.6 -1,-0.1 -6,-0.2 -2,-0.0 -0.505 39.6 -83.5 -95.7 161.1 24.4 31.6 -4.7 30 31 A P - 0 0 50 0, 0.0 2,-0.6 0, 0.0 -1,-0.1 -0.276 32.5-140.4 -66.3 151.0 20.6 31.5 -4.3 31 32 A V > - 0 0 9 3,-0.1 3,-2.0 1,-0.1 191,-0.1 -0.951 8.3-146.4-120.5 109.9 18.8 33.5 -1.6 32 33 A L T 3 S+ 0 0 18 -2,-0.6 190,-2.3 151,-0.6 191,-0.4 0.782 94.3 36.4 -47.1 -45.6 16.0 31.6 0.0 33 34 A W T 3 S+ 0 0 16 188,-0.2 2,-2.4 1,-0.1 -1,-0.3 0.457 83.9 109.1 -90.5 0.8 13.6 34.5 0.7 34 35 A D < + 0 0 42 -3,-2.0 -3,-0.1 6,-0.0 -1,-0.1 -0.339 46.6 165.5 -87.1 62.0 14.3 36.5 -2.5 35 36 A A - 0 0 0 -2,-2.4 187,-0.1 185,-0.5 5,-0.1 -0.400 47.8 -88.1 -71.0 151.6 11.0 35.8 -4.3 36 37 A N > - 0 0 73 1,-0.1 3,-2.3 -2,-0.1 4,-0.3 -0.275 43.8-109.2 -58.4 147.3 9.9 37.9 -7.3 37 38 A V G > >S+ 0 0 31 1,-0.3 5,-2.3 2,-0.2 3,-1.8 0.799 114.2 68.4 -54.3 -33.7 8.0 41.1 -6.2 38 39 A E G 3 5S+ 0 0 121 1,-0.3 -1,-0.3 4,-0.2 -2,-0.1 0.747 109.1 36.5 -59.3 -23.4 4.7 39.8 -7.5 39 40 A R G < 5S+ 0 0 43 -3,-2.3 181,-0.3 3,-0.1 -1,-0.3 0.232 130.0 30.7-107.8 4.7 4.7 37.1 -4.7 40 41 A A T X>5S+ 0 0 3 -3,-1.8 4,-2.0 -4,-0.3 3,-1.2 0.279 126.9 11.0-127.9-104.2 6.3 39.4 -2.1 41 42 A V H 3>5S+ 0 0 0 1,-0.3 4,-2.9 2,-0.2 -3,-0.1 0.792 122.2 61.8 -59.0 -27.9 6.0 43.2 -1.7 42 43 A V H 34X S+ 0 0 3 -4,-2.0 3,-1.8 1,-0.2 4,-0.5 0.894 95.9 71.6 -68.9 -42.2 2.2 43.2 1.1 45 46 A L H >X S+ 0 0 8 -4,-2.9 4,-2.7 1,-0.3 3,-1.6 0.833 91.2 55.4 -56.3 -44.4 1.5 46.7 -0.3 46 47 A P H 34 S+ 0 0 79 0, 0.0 4,-0.4 0, 0.0 -1,-0.3 0.804 100.4 63.6 -57.9 -24.0 -2.3 46.7 -0.3 47 48 A R H <4 S+ 0 0 64 -3,-1.8 -2,-0.2 -4,-0.4 -3,-0.1 0.702 123.3 12.2 -73.4 -20.2 -2.2 45.8 3.5 48 49 A F H XX S+ 0 0 0 -3,-1.6 3,-1.8 -4,-0.5 4,-1.3 0.557 97.5 92.4-131.1 -12.7 -0.6 49.1 4.4 49 50 A E T 3< S+ 0 0 87 -4,-2.7 -2,-0.1 1,-0.3 -4,-0.1 0.765 92.5 47.2 -61.9 -29.6 -0.6 51.6 1.5 50 51 A L T 34 S+ 0 0 155 -4,-0.4 -1,-0.3 -5,-0.2 -3,-0.1 0.536 113.8 51.1 -86.0 -5.1 -3.9 53.2 2.6 51 52 A L T <4 S+ 0 0 78 -3,-1.8 2,-0.4 2,-0.0 -2,-0.2 0.618 91.9 83.6-104.4 -15.8 -2.6 53.4 6.2 52 53 A F S < S- 0 0 12 -4,-1.3 103,-0.1 103,-0.0 3,-0.0 -0.728 75.8-129.1 -91.7 136.2 0.8 55.1 5.7 53 54 A N > - 0 0 70 -2,-0.4 3,-1.5 101,-0.3 72,-0.1 -0.730 19.6-155.8 -74.8 118.4 1.2 58.9 5.4 54 55 A P T 3 S+ 0 0 75 0, 0.0 24,-0.3 0, 0.0 -1,-0.2 0.656 83.6 76.8 -80.0 -11.5 3.4 59.1 2.2 55 56 A E T 3 S+ 0 0 85 22,-0.1 -2,-0.0 2,-0.1 3,-0.0 0.579 84.6 79.1 -65.5 -13.3 4.8 62.5 3.2 56 57 A L S < S- 0 0 23 -3,-1.5 22,-0.3 98,-0.1 68,-0.1 -0.715 96.6 -99.8 -93.6 154.5 7.1 60.6 5.6 57 58 A P - 0 0 11 0, 0.0 68,-2.6 0, 0.0 2,-0.5 -0.381 35.8-131.9 -64.8 150.0 10.2 58.9 4.5 58 59 A L E -ab 79 125A 0 20,-2.4 22,-2.6 66,-0.2 2,-0.5 -0.944 15.5-157.5-107.4 124.4 9.8 55.1 4.1 59 60 A I E -ab 80 126A 0 66,-2.9 68,-3.0 -2,-0.5 2,-0.9 -0.880 10.3-155.1-101.4 127.4 12.4 52.8 5.6 60 61 A D E > -ab 81 127A 0 20,-2.7 22,-2.5 -2,-0.5 3,-0.7 -0.917 27.8-152.5 -91.6 98.3 12.9 49.2 4.2 61 62 A F E 3 S+a 82 0A 2 66,-2.4 68,-0.4 -2,-0.9 22,-0.1 -0.716 74.1 5.0 -84.7 123.4 14.3 47.9 7.4 62 63 A A T 3 S+ 0 0 1 20,-1.8 -1,-0.3 -2,-0.5 21,-0.2 0.954 82.3 175.7 66.4 51.6 16.7 44.9 6.9 63 64 A C X - 0 0 0 19,-2.2 3,-2.2 -3,-0.7 5,-0.3 0.535 10.5-168.4 -70.5 -10.4 16.3 45.4 3.2 64 65 A G T 3 - 0 0 0 18,-0.3 28,-0.2 1,-0.3 -1,-0.2 -0.270 69.4 -9.2 58.9-133.1 18.9 42.7 2.2 65 66 A N T 3 S- 0 0 12 180,-0.3 -1,-0.3 26,-0.1 30,-0.2 0.288 98.0-112.3 -84.1 8.5 19.8 42.9 -1.5 66 67 A G S <> S+ 0 0 0 -3,-2.2 4,-2.2 1,-0.1 5,-0.2 0.560 71.9 136.5 81.1 10.6 17.0 45.4 -2.2 67 68 A T H > S+ 0 0 30 -4,-0.3 4,-0.8 178,-0.2 -30,-0.1 0.922 84.0 34.6 -58.2 -44.0 14.7 43.4 -4.4 68 69 A Q H > S+ 0 0 2 -5,-0.3 4,-2.5 1,-0.2 -1,-0.2 0.821 111.5 63.9 -79.6 -31.3 11.6 44.7 -2.6 69 70 A T H > S+ 0 0 0 -6,-0.3 4,-2.2 1,-0.2 -2,-0.2 0.891 97.1 56.0 -58.0 -45.6 13.1 48.2 -2.0 70 71 A K H X S+ 0 0 64 -4,-2.2 4,-0.7 1,-0.2 -1,-0.2 0.908 109.1 46.6 -55.9 -45.7 13.3 48.9 -5.7 71 72 A F H >X S+ 0 0 25 -4,-0.8 3,-1.5 1,-0.2 4,-0.8 0.948 109.7 53.3 -62.0 -48.8 9.5 48.2 -6.1 72 73 A L H >X S+ 0 0 0 -4,-2.5 4,-2.4 1,-0.3 3,-1.2 0.901 103.6 58.4 -52.6 -37.9 8.8 50.4 -3.0 73 74 A S H 3< S+ 0 0 7 -4,-2.2 -1,-0.3 1,-0.3 -2,-0.2 0.717 97.9 59.6 -69.7 -20.9 10.7 53.2 -4.6 74 75 A Q H << S+ 0 0 123 -3,-1.5 -1,-0.3 -4,-0.7 -2,-0.2 0.749 117.0 32.5 -76.8 -19.0 8.5 53.2 -7.7 75 76 A F H << S+ 0 0 122 -3,-1.2 -2,-0.2 -4,-0.8 -1,-0.1 0.712 114.0 57.5-109.0 -28.9 5.5 53.9 -5.4 76 77 A F S < S- 0 0 18 -4,-2.4 3,-0.2 1,-0.1 -1,-0.1 -0.884 73.5-133.3-110.6 144.8 6.9 56.1 -2.6 77 78 A P S S+ 0 0 91 0, 0.0 2,-0.4 0, 0.0 -1,-0.1 0.841 91.9 25.0 -64.5 -34.1 8.7 59.5 -3.0 78 79 A R + 0 0 120 -24,-0.3 -20,-2.4 -22,-0.3 2,-0.4 -0.964 66.6 179.3-141.1 120.6 11.6 58.7 -0.7 79 80 A V E -ac 58 101A 0 21,-2.6 23,-2.0 -2,-0.4 2,-0.5 -0.961 8.8-168.0-124.0 135.8 12.9 55.3 0.3 80 81 A I E -ac 59 102A 8 -22,-2.6 -20,-2.7 -2,-0.4 2,-0.6 -0.986 10.4-155.0-121.2 121.6 15.8 54.4 2.6 81 82 A G E -ac 60 103A 0 21,-3.1 23,-2.9 -2,-0.5 2,-0.4 -0.869 14.8-170.7 -99.0 118.5 17.1 50.8 2.7 82 83 A L E +ac 61 104A 0 -22,-2.5 -19,-2.2 -2,-0.6 -20,-1.8 -0.922 13.4 156.6-112.5 137.5 18.8 49.9 5.9 83 84 A D E - c 0 105A 0 21,-1.3 23,-1.9 -2,-0.4 24,-0.1 -0.987 44.1-132.8-154.6 151.2 20.8 46.7 6.6 84 85 A V S S+ 0 0 23 -2,-0.3 2,-0.5 21,-0.2 23,-0.1 0.728 86.8 82.0 -71.0 -22.2 23.5 45.5 9.0 85 86 A S > - 0 0 0 1,-0.1 4,-2.0 21,-0.1 5,-0.2 -0.772 57.5-164.4-100.3 123.7 25.5 43.9 6.1 86 87 A K H > S+ 0 0 137 -2,-0.5 4,-1.7 1,-0.2 -1,-0.1 0.829 96.1 53.6 -67.4 -33.8 27.8 45.9 3.9 87 88 A S H > S+ 0 0 1 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.909 106.2 52.7 -69.5 -39.2 27.8 43.0 1.3 88 89 A A H > S+ 0 0 0 1,-0.2 4,-2.7 2,-0.2 -2,-0.2 0.956 112.1 45.5 -55.5 -48.3 24.0 43.0 1.2 89 90 A L H X S+ 0 0 16 -4,-2.0 4,-2.7 1,-0.2 -1,-0.2 0.793 107.1 58.9 -69.8 -27.1 24.1 46.7 0.5 90 91 A E H X S+ 0 0 116 -4,-1.7 4,-0.7 2,-0.2 -1,-0.2 0.904 109.7 43.1 -66.6 -41.1 26.8 46.2 -2.1 91 92 A I H >X S+ 0 0 23 -4,-2.2 4,-3.0 2,-0.2 3,-0.9 0.956 115.9 49.9 -63.3 -49.3 24.4 43.8 -4.0 92 93 A A H 3X S+ 0 0 0 -4,-2.7 4,-2.8 1,-0.3 -2,-0.2 0.909 108.0 51.7 -54.5 -49.2 21.5 46.3 -3.5 93 94 A A H 3< S+ 0 0 52 -4,-2.7 -1,-0.3 1,-0.2 -2,-0.2 0.688 117.4 40.5 -69.5 -14.4 23.4 49.3 -4.7 94 95 A K H << S+ 0 0 106 -3,-0.9 3,-0.2 -4,-0.7 -2,-0.2 0.834 127.2 27.0 -97.1 -41.5 24.4 47.5 -7.8 95 96 A E H < S+ 0 0 119 -4,-3.0 -3,-0.2 -30,-0.2 -2,-0.2 0.670 129.1 32.5 -96.8 -20.2 21.2 45.6 -8.7 96 97 A N S < S+ 0 0 25 -4,-2.8 2,-0.2 -5,-0.4 -1,-0.2 -0.303 75.6 141.9-140.5 48.8 18.5 47.8 -7.2 97 98 A T + 0 0 76 -3,-0.2 2,-0.3 -4,-0.1 5,-0.1 -0.543 16.3 169.0 -87.9 159.0 19.4 51.5 -7.3 98 99 A A > - 0 0 27 3,-0.3 3,-1.8 -2,-0.2 -2,-0.0 -0.945 47.8-107.1-161.2 155.7 17.1 54.4 -8.0 99 100 A A T 3 S+ 0 0 119 -2,-0.3 -1,-0.1 1,-0.3 -2,-0.0 0.812 120.4 46.4 -54.7 -33.1 17.3 58.2 -7.7 100 101 A N T 3 S+ 0 0 48 -27,-0.1 -21,-2.6 -24,-0.1 2,-0.5 0.103 95.5 89.2-104.5 20.9 15.0 58.1 -4.7 101 102 A I E < -c 79 0A 17 -3,-1.8 2,-0.4 -23,-0.2 -3,-0.3 -0.977 50.2-173.3-114.1 132.2 16.6 55.2 -2.8 102 103 A S E -c 80 0A 72 -23,-2.0 -21,-3.1 -2,-0.5 2,-0.5 -0.984 10.9-154.9-115.4 131.8 19.4 55.6 -0.3 103 104 A Y E +c 81 0A 47 -2,-0.4 2,-0.3 -23,-0.2 -21,-0.2 -0.935 20.5 175.2-102.9 134.0 21.1 52.5 1.1 104 105 A R E -c 82 0A 87 -23,-2.9 -21,-1.3 -2,-0.5 2,-0.2 -0.999 32.2-113.6-145.0 140.2 22.7 52.9 4.5 105 106 A L E +c 83 0A 101 -2,-0.3 2,-0.3 -23,-0.2 -21,-0.2 -0.467 44.3 158.6 -69.0 135.4 24.4 50.6 7.0 106 107 A L - 0 0 3 -23,-1.9 2,-0.7 -2,-0.2 -44,-0.1 -0.878 32.6-147.7-159.8 137.9 22.5 50.2 10.3 107 108 A D > - 0 0 30 -2,-0.3 3,-2.3 3,-0.2 6,-0.3 -0.917 6.2-158.0-106.9 111.1 22.5 47.6 13.0 108 109 A G T 3 S+ 0 0 2 -2,-0.7 38,-0.5 1,-0.3 39,-0.1 0.623 92.1 63.1 -60.2 -16.7 19.1 47.2 14.7 109 110 A L T 3 S+ 0 0 30 1,-0.2 -1,-0.3 36,-0.1 34,-0.1 0.399 95.2 64.0 -91.6 5.3 20.7 45.7 17.8 110 111 A V X> - 0 0 60 -3,-2.3 3,-2.3 1,-0.1 4,-0.7 -0.810 68.6-172.2-127.4 84.1 22.6 49.1 18.4 111 112 A P H 3> S+ 0 0 24 0, 0.0 4,-2.0 0, 0.0 5,-0.2 0.719 76.7 72.1 -59.5 -21.7 19.7 51.6 19.1 112 113 A E H 3> S+ 0 0 93 1,-0.2 4,-1.9 2,-0.2 5,-0.1 0.816 93.6 57.2 -58.1 -30.9 22.0 54.6 19.1 113 114 A Q H <> S+ 0 0 78 -3,-2.3 4,-2.3 -6,-0.3 -1,-0.2 0.923 106.3 48.3 -68.5 -41.0 22.3 54.1 15.3 114 115 A A H X S+ 0 0 0 -4,-0.7 4,-2.8 -7,-0.2 5,-0.2 0.899 108.4 54.7 -61.1 -41.4 18.5 54.4 15.0 115 116 A A H X S+ 0 0 49 -4,-2.0 4,-2.0 2,-0.2 -1,-0.2 0.901 107.7 50.5 -58.2 -40.8 18.6 57.5 17.2 116 117 A Q H X S+ 0 0 99 -4,-1.9 4,-1.2 2,-0.2 -2,-0.2 0.969 111.9 46.5 -63.3 -50.5 21.2 59.0 14.7 117 118 A I H >X S+ 0 0 3 -4,-2.3 4,-2.3 1,-0.2 3,-0.9 0.931 112.5 49.2 -56.3 -50.7 19.0 58.3 11.7 118 119 A H H 3X S+ 0 0 51 -4,-2.8 4,-2.3 1,-0.3 -1,-0.2 0.864 104.8 59.1 -62.0 -34.3 15.8 59.6 13.3 119 120 A S H 3< S+ 0 0 86 -4,-2.0 -1,-0.3 -5,-0.2 -2,-0.2 0.817 113.1 41.0 -64.7 -27.1 17.7 62.8 14.3 120 121 A E H << S+ 0 0 95 -4,-1.2 -2,-0.2 -3,-0.9 -1,-0.2 0.872 130.5 19.2 -84.7 -40.9 18.4 63.4 10.6 121 122 A I H < S- 0 0 29 -4,-2.3 -3,-0.2 1,-0.3 -2,-0.2 0.562 91.4-138.0-113.9 -9.7 15.1 62.4 9.0 122 123 A G < - 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