==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=7-AUG-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 11-FEB-11 3QOX . COMPND 2 MOLECULE: HISTONE-LYSINE N-METHYLTRANSFERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR L.JIN . 327 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17419.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 209 63.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 21 6.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 20 6.1 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 . 3 0.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.3 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 . 10 3.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 35 10.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 109 33.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 0.6 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 0 2 2 1 1 0 0 0 2 0 0 0 0 0 2 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 1 1 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 1 0 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 ANTIPARALLEL BRIDGES PER LADDER . 2 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 5 A L 0 0 154 0, 0.0 17,-1.2 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 115.3 11.1 72.3 9.6 2 6 A E E -A 17 0A 91 15,-0.2 2,-0.4 2,-0.0 13,-0.0 -0.937 360.0-126.9-155.0 161.4 12.7 70.5 6.6 3 7 A L E -A 16 0A 2 13,-2.5 13,-3.1 -2,-0.3 2,-0.4 -0.980 27.8-161.4-121.9 139.2 13.9 70.5 3.0 4 8 A R E -A 15 0A 126 -2,-0.4 2,-0.5 11,-0.2 11,-0.2 -0.946 12.2-168.5-127.0 137.7 12.9 67.7 0.6 5 9 A L E -A 14 0A 0 9,-2.5 9,-2.8 -2,-0.4 2,-0.2 -0.989 21.6-135.9-124.7 123.3 14.2 66.5 -2.7 6 10 A K - 0 0 83 -2,-0.5 6,-0.1 7,-0.2 71,-0.0 -0.518 23.8-113.7 -75.9 141.3 12.1 64.0 -4.8 7 11 A S > - 0 0 3 4,-0.7 3,-1.2 -2,-0.2 197,-0.1 -0.493 14.1-132.9 -72.0 139.1 13.9 61.0 -6.4 8 12 A P T 3 S+ 0 0 1 0, 0.0 83,-0.1 0, 0.0 -1,-0.1 0.707 108.0 39.9 -64.1 -19.2 14.0 61.0 -10.2 9 13 A V T 3 S- 0 0 43 194,-0.7 195,-0.1 193,-0.1 196,-0.0 0.114 123.0 -95.6-120.3 18.4 12.9 57.3 -10.1 10 14 A G S < S+ 0 0 59 -3,-1.2 193,-0.1 1,-0.2 2,-0.0 0.628 73.6 142.0 80.6 14.4 10.3 57.4 -7.3 11 15 A A - 0 0 34 192,-0.3 -4,-0.7 191,-0.2 -1,-0.2 -0.269 68.7 -63.5 -72.2 172.7 12.4 56.3 -4.3 12 16 A E - 0 0 162 1,-0.1 -1,-0.2 -6,-0.1 -2,-0.0 -0.325 65.8-103.5 -56.4 136.3 11.8 57.9 -0.9 13 17 A P - 0 0 52 0, 0.0 2,-0.5 0, 0.0 -7,-0.2 -0.216 30.2-112.4 -61.6 154.9 12.6 61.6 -1.0 14 18 A A E -A 5 0A 11 -9,-2.8 -9,-2.5 -3,-0.1 2,-0.4 -0.800 35.1-159.3 -86.0 128.6 15.8 62.9 0.5 15 19 A V E -A 4 0A 71 -2,-0.5 -11,-0.2 -11,-0.2 -13,-0.0 -0.945 8.7-168.9-119.4 132.1 15.0 65.0 3.6 16 20 A Y E -A 3 0A 5 -13,-3.1 -13,-2.5 -2,-0.4 4,-0.1 -0.973 18.6-129.4-122.0 130.5 17.3 67.6 5.1 17 21 A P E -A 2 0A 72 0, 0.0 -15,-0.2 0, 0.0 0, 0.0 -0.228 35.8 -89.8 -74.7 162.1 16.8 69.3 8.5 18 22 A W S S+ 0 0 64 -17,-1.2 2,-0.2 2,-0.1 45,-0.0 -0.972 107.6 43.6-120.6 138.7 17.0 73.0 9.0 19 23 A P S S- 0 0 102 0, 0.0 42,-0.1 0, 0.0 44,-0.0 0.586 103.2-117.9 -67.1 158.4 19.3 74.8 9.7 20 24 A L - 0 0 28 -2,-0.2 -2,-0.1 40,-0.2 10,-0.1 -0.493 28.6-118.9 -75.2 134.0 21.4 72.9 7.1 21 25 A P - 0 0 53 0, 0.0 8,-2.8 0, 0.0 9,-0.4 -0.274 14.8-134.6 -71.9 159.4 24.4 71.1 8.5 22 26 A V E -B 28 0B 99 6,-0.2 6,-0.3 1,-0.1 3,-0.1 -0.897 11.4-167.6-109.1 141.6 28.1 71.7 7.6 23 27 A Y E - 0 0 42 4,-3.2 2,-0.3 1,-0.5 5,-0.2 0.864 63.8 -37.1 -98.3 -45.5 30.4 68.8 6.9 24 28 A D E > S-B 27 0B 62 3,-1.8 3,-1.2 93,-0.0 -1,-0.5 -0.888 81.6 -63.2-160.3-172.4 33.8 70.4 7.0 25 29 A K T 3 S+ 0 0 194 -2,-0.3 3,-0.1 1,-0.2 0, 0.0 0.751 133.7 31.1 -54.1 -29.5 35.5 73.7 5.9 26 30 A H T 3 S+ 0 0 151 1,-0.1 2,-0.4 -4,-0.0 -1,-0.2 0.332 114.2 59.7-116.4 6.8 34.7 73.0 2.2 27 31 A H E < +B 24 0B 68 -3,-1.2 -4,-3.2 84,-0.0 -3,-1.8 -0.975 49.6 160.9-142.6 125.4 31.4 71.0 2.3 28 32 A D E > -B 22 0B 41 -2,-0.4 4,-1.6 -6,-0.3 3,-0.3 -0.897 48.5-108.0-133.6 173.0 27.9 71.7 3.6 29 33 A A H > S+ 0 0 0 -8,-2.8 4,-2.4 -2,-0.3 5,-0.1 0.830 113.0 62.3 -68.3 -32.2 24.4 70.3 3.0 30 34 A A H > S+ 0 0 2 -9,-0.4 4,-1.8 1,-0.2 -1,-0.2 0.886 108.3 41.5 -59.6 -44.9 23.2 73.4 1.1 31 35 A H H > S+ 0 0 92 -3,-0.3 4,-2.6 2,-0.2 -1,-0.2 0.815 109.7 58.6 -76.4 -29.1 25.8 72.8 -1.6 32 36 A E H X S+ 0 0 13 -4,-1.6 4,-2.4 2,-0.2 -2,-0.2 0.900 107.5 49.0 -58.6 -43.8 25.1 69.1 -1.6 33 37 A I H X S+ 0 0 0 -4,-2.4 4,-2.3 2,-0.2 -2,-0.2 0.948 112.3 46.3 -59.6 -52.0 21.4 70.0 -2.4 34 38 A I H X S+ 0 0 48 -4,-1.8 4,-2.2 1,-0.2 -2,-0.2 0.904 115.3 46.4 -61.1 -43.8 22.4 72.3 -5.2 35 39 A E H X S+ 0 0 74 -4,-2.6 4,-2.9 2,-0.2 -1,-0.2 0.874 108.5 55.7 -68.1 -37.6 24.8 69.8 -6.7 36 40 A T H X S+ 0 0 0 -4,-2.4 4,-2.8 2,-0.2 5,-0.2 0.937 109.5 46.5 -59.4 -46.0 22.3 66.9 -6.4 37 41 A I H X S+ 0 0 10 -4,-2.3 4,-2.3 2,-0.2 -2,-0.2 0.927 111.4 52.8 -60.2 -45.1 19.8 69.0 -8.4 38 42 A R H X S+ 0 0 118 -4,-2.2 4,-1.1 1,-0.2 -2,-0.2 0.936 112.1 45.2 -56.2 -47.0 22.6 69.7 -10.9 39 43 A W H X S+ 0 0 37 -4,-2.9 4,-1.5 2,-0.2 3,-0.3 0.870 108.5 53.5 -70.6 -37.6 23.4 66.0 -11.3 40 44 A V H X S+ 0 0 0 -4,-2.8 4,-1.6 1,-0.2 3,-0.3 0.908 105.8 57.2 -61.5 -37.0 19.8 64.8 -11.6 41 45 A C H < S+ 0 0 11 -4,-2.3 7,-0.5 1,-0.2 -1,-0.2 0.829 104.1 51.8 -57.8 -35.0 19.6 67.4 -14.4 42 46 A E H < S+ 0 0 90 -4,-1.1 -1,-0.2 -3,-0.3 -2,-0.2 0.781 108.8 51.4 -70.9 -31.2 22.6 65.6 -16.1 43 47 A E H < S+ 0 0 26 -4,-1.5 -2,-0.2 -3,-0.3 -1,-0.2 0.790 118.3 37.1 -71.8 -31.4 20.7 62.3 -15.8 44 48 A I >X - 0 0 8 -4,-1.6 4,-2.0 1,-0.1 3,-0.5 -0.869 61.6-167.4-132.5 100.1 17.5 63.8 -17.4 45 49 A P H 3> S+ 0 0 91 0, 0.0 4,-2.5 0, 0.0 -1,-0.1 0.864 92.1 56.0 -47.4 -44.1 17.8 66.3 -20.3 46 50 A D H 3> S+ 0 0 65 1,-0.2 4,-2.1 2,-0.2 5,-0.1 0.892 107.6 48.5 -61.6 -39.7 14.1 67.2 -20.0 47 51 A L H <> S+ 0 0 0 -3,-0.5 4,-1.9 2,-0.2 -1,-0.2 0.897 108.5 53.8 -65.1 -41.3 14.6 68.1 -16.4 48 52 A K H X S+ 0 0 105 -4,-2.0 4,-1.4 -7,-0.5 -2,-0.2 0.882 106.7 52.8 -61.2 -41.5 17.6 70.2 -17.3 49 53 A L H >X S+ 0 0 114 -4,-2.5 4,-0.9 1,-0.2 3,-0.8 0.973 109.6 48.1 -53.1 -56.4 15.5 72.1 -19.8 50 54 A A H 3< S+ 0 0 29 -4,-2.1 3,-0.3 1,-0.3 -2,-0.2 0.804 108.7 54.3 -57.6 -33.4 12.9 72.8 -17.2 51 55 A M H 3< S+ 0 0 24 -4,-1.9 -1,-0.3 1,-0.2 -2,-0.2 0.805 94.1 68.2 -76.8 -26.3 15.5 74.0 -14.7 52 56 A E H << 0 0 71 -4,-1.4 -1,-0.2 -3,-0.8 -2,-0.2 0.890 360.0 360.0 -54.2 -40.6 17.0 76.6 -17.2 53 57 A N < 0 0 138 -4,-0.9 -1,-0.3 -3,-0.3 -2,-0.2 0.523 360.0 360.0 -69.4 360.0 13.7 78.6 -16.9 54 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 55 60 A L 0 0 92 0, 0.0 2,-0.3 0, 0.0 -3,-0.0 0.000 360.0 360.0 360.0 145.9 17.4 79.6 -12.8 56 61 A I - 0 0 75 2,-0.0 2,-0.4 13,-0.0 -3,-0.0 -0.963 360.0 -67.9-163.1 172.2 17.4 82.1 -9.9 57 62 A D - 0 0 141 -2,-0.3 2,-0.5 2,-0.0 0, 0.0 -0.606 44.2-168.0 -73.7 123.3 19.4 83.6 -7.0 58 63 A Y + 0 0 43 -2,-0.4 8,-0.1 1,-0.1 7,-0.0 -0.965 14.7 176.4-113.9 129.6 20.4 81.1 -4.3 59 64 A D - 0 0 66 -2,-0.5 -1,-0.1 3,-0.2 -2,-0.0 0.765 24.1-149.6 -99.2 -31.4 21.8 82.4 -1.0 60 65 A T S S+ 0 0 45 2,-0.3 -40,-0.2 1,-0.1 -30,-0.1 0.382 85.0 77.7 70.7 0.9 22.1 79.1 0.9 61 66 A K S S+ 0 0 81 1,-0.1 2,-0.4 -42,-0.1 -1,-0.1 0.698 79.9 68.6-107.5 -30.3 21.5 81.2 4.1 62 67 A S > - 0 0 45 1,-0.1 4,-1.5 2,-0.0 -2,-0.3 -0.789 66.0-147.4 -98.7 137.9 17.7 81.6 4.0 63 68 A F H > S+ 0 0 40 -2,-0.4 4,-3.7 2,-0.2 3,-0.4 0.959 99.7 51.2 -60.4 -54.8 15.2 78.8 4.4 64 69 A E H > S+ 0 0 115 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.825 110.0 50.4 -57.2 -35.4 12.6 80.3 2.0 65 70 A S H > S+ 0 0 11 2,-0.2 4,-1.8 3,-0.2 -1,-0.2 0.867 116.3 40.7 -69.9 -38.1 15.2 80.7 -0.7 66 71 A M H X S+ 0 0 0 -4,-1.5 4,-2.5 -3,-0.4 -2,-0.2 0.901 114.7 51.0 -76.9 -43.5 16.4 77.1 -0.3 67 72 A Q H X S+ 0 0 80 -4,-3.7 4,-2.2 1,-0.2 -2,-0.2 0.847 109.9 53.8 -57.6 -37.2 12.8 75.8 0.1 68 73 A R H X S+ 0 0 159 -4,-1.9 4,-2.1 -5,-0.3 -2,-0.2 0.941 107.9 47.7 -60.4 -52.3 12.1 77.8 -3.1 69 74 A L H X S+ 0 0 42 -4,-1.8 4,-1.7 1,-0.2 -2,-0.2 0.903 113.3 48.4 -57.8 -43.3 14.9 76.0 -5.0 70 75 A C H X S+ 0 0 2 -4,-2.5 4,-3.3 1,-0.2 -64,-0.2 0.922 108.8 53.1 -64.1 -45.3 13.8 72.6 -3.9 71 76 A D H X S+ 0 0 70 -4,-2.2 4,-2.7 1,-0.2 5,-0.2 0.883 107.6 51.9 -57.1 -42.8 10.1 73.3 -4.8 72 77 A K H X S+ 0 0 60 -4,-2.1 4,-1.7 2,-0.2 -1,-0.2 0.897 113.2 44.2 -63.5 -39.6 11.1 74.2 -8.3 73 78 A Y H X S+ 0 0 0 -4,-1.7 4,-2.2 2,-0.2 -2,-0.2 0.936 113.7 50.2 -67.7 -47.8 13.1 71.0 -8.7 74 79 A N H X S+ 0 0 17 -4,-3.3 4,-2.1 1,-0.2 -2,-0.2 0.884 110.4 49.6 -59.9 -40.2 10.3 68.9 -7.1 75 80 A R H X S+ 0 0 153 -4,-2.7 4,-2.1 2,-0.2 -1,-0.2 0.886 110.4 50.6 -65.2 -40.0 7.7 70.5 -9.4 76 81 A A H X S+ 0 0 9 -4,-1.7 4,-2.2 -5,-0.2 -2,-0.2 0.869 108.4 53.5 -66.2 -35.3 9.9 69.7 -12.5 77 82 A I H X S+ 0 0 0 -4,-2.2 4,-2.5 2,-0.2 -2,-0.2 0.917 106.5 51.6 -63.5 -45.1 10.2 66.1 -11.2 78 83 A D H X S+ 0 0 70 -4,-2.1 4,-1.5 2,-0.2 -2,-0.2 0.945 110.4 48.8 -54.6 -48.4 6.4 65.7 -11.1 79 84 A S H X S+ 0 0 63 -4,-2.1 4,-2.5 1,-0.2 3,-0.4 0.917 110.0 50.3 -62.1 -45.2 6.1 67.0 -14.6 80 85 A I H X S+ 0 0 4 -4,-2.2 4,-2.2 1,-0.2 -1,-0.2 0.895 108.1 54.3 -57.3 -42.6 8.8 64.6 -15.9 81 86 A H H < S+ 0 0 48 -4,-2.5 4,-0.5 2,-0.2 -1,-0.2 0.822 109.3 47.8 -59.7 -32.6 7.0 61.8 -14.1 82 87 A Q H >X S+ 0 0 123 -4,-1.5 4,-0.9 -3,-0.4 3,-0.7 0.875 107.6 56.0 -73.7 -39.7 3.8 62.8 -16.1 83 88 A L H ><>S+ 0 0 71 -4,-2.5 3,-1.0 1,-0.3 5,-0.7 0.905 104.2 53.4 -55.4 -44.4 5.8 62.9 -19.3 84 89 A W T 3<5S+ 0 0 46 -4,-2.2 -1,-0.3 1,-0.3 -2,-0.2 0.701 102.0 58.7 -67.7 -20.2 6.9 59.3 -18.7 85 90 A K T <45S+ 0 0 155 -3,-0.7 -1,-0.3 -4,-0.5 -2,-0.2 0.706 107.0 56.7 -78.3 -21.3 3.2 58.4 -18.3 86 91 A G T <<5S- 0 0 53 -3,-1.0 -3,-0.1 -4,-0.9 -2,-0.1 0.464 124.3 -65.8 -76.9-135.5 2.7 59.7 -21.8 87 92 A T T 5S+ 0 0 140 2,-0.1 -3,-0.1 0, 0.0 -4,-0.1 0.733 96.7 112.0 -93.2 -25.0 4.7 58.4 -24.8 88 93 A T S - 0 0 67 -2,-0.1 4,-2.9 1,-0.1 5,-0.2 -0.345 35.2-103.4 -64.5 161.6 28.8 58.4 -15.1 99 104 A T H > S+ 0 0 87 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.907 122.4 49.4 -52.9 -50.9 32.2 59.2 -13.5 100 105 A G H > S+ 0 0 24 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.893 112.8 46.7 -58.8 -43.9 31.1 62.8 -12.6 101 106 A L H > S+ 0 0 5 2,-0.2 4,-2.9 1,-0.2 -2,-0.2 0.927 111.3 52.5 -64.2 -44.2 27.8 61.5 -11.0 102 107 A L H X S+ 0 0 5 -4,-2.9 4,-2.9 1,-0.2 5,-0.3 0.900 105.3 54.2 -58.3 -45.2 29.8 58.8 -9.1 103 108 A R H X S+ 0 0 111 -4,-2.4 4,-2.3 2,-0.2 -1,-0.2 0.941 112.1 44.6 -50.9 -51.5 32.2 61.4 -7.7 104 109 A H H X S+ 0 0 22 -4,-1.6 4,-2.6 1,-0.2 -2,-0.2 0.915 112.0 52.6 -62.6 -45.0 29.2 63.4 -6.4 105 110 A I H X S+ 0 0 0 -4,-2.9 4,-2.8 1,-0.2 -1,-0.2 0.913 111.1 46.1 -57.2 -45.5 27.5 60.3 -5.0 106 111 A L H X S+ 0 0 14 -4,-2.9 4,-2.6 2,-0.2 -1,-0.2 0.868 111.3 51.1 -70.8 -35.0 30.6 59.2 -3.1 107 112 A Q H X S+ 0 0 71 -4,-2.3 4,-2.9 -5,-0.3 -1,-0.2 0.945 112.7 47.5 -62.3 -47.2 31.1 62.6 -1.7 108 113 A Q H X S+ 0 0 2 -4,-2.6 4,-2.1 2,-0.2 -2,-0.2 0.928 113.3 47.1 -55.5 -51.6 27.4 62.7 -0.6 109 114 A V H X S+ 0 0 0 -4,-2.8 4,-1.2 1,-0.2 5,-0.2 0.936 113.7 48.9 -59.0 -46.9 27.7 59.2 1.0 110 115 A Y H >X S+ 0 0 35 -4,-2.6 4,-3.2 1,-0.2 3,-0.8 0.943 110.4 49.6 -58.6 -51.2 30.9 60.1 2.8 111 116 A N H 3< S+ 0 0 16 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.853 114.7 45.0 -60.5 -33.4 29.5 63.4 4.2 112 117 A H H 3< S+ 0 0 49 -4,-2.1 -1,-0.3 -5,-0.2 -2,-0.2 0.654 122.1 37.7 -79.8 -18.1 26.4 61.6 5.5 113 118 A S H << S+ 0 0 2 -4,-1.2 2,-1.6 -3,-0.8 3,-0.2 0.795 102.1 64.6-105.0 -39.8 28.4 58.7 7.0 114 119 A V < + 0 0 5 -4,-3.2 -1,-0.2 -5,-0.2 6,-0.0 -0.615 61.8 171.9 -92.0 79.6 31.6 60.1 8.4 115 120 A T S S+ 0 0 118 -2,-1.6 -1,-0.2 1,-0.3 3,-0.1 0.810 76.0 25.4 -65.8 -33.7 30.0 62.1 11.1 116 121 A D > - 0 0 60 -3,-0.2 3,-1.8 1,-0.1 4,-0.3 -0.756 67.7-179.3-131.5 90.1 33.2 63.1 12.8 117 122 A P G > S+ 0 0 48 0, 0.0 3,-1.4 0, 0.0 4,-0.3 0.757 78.7 69.2 -62.8 -27.4 36.1 62.9 10.2 118 123 A E G > S+ 0 0 109 1,-0.2 3,-1.9 2,-0.2 4,-0.2 0.826 85.8 68.9 -55.1 -36.1 38.6 63.9 12.9 119 124 A K G X S+ 0 0 95 -3,-1.8 3,-1.3 1,-0.3 -1,-0.2 0.721 85.8 67.9 -60.9 -22.0 38.1 60.5 14.6 120 125 A L G < S+ 0 0 9 -3,-1.4 -1,-0.3 -4,-0.3 11,-0.2 0.643 93.6 59.6 -71.5 -18.6 39.8 58.8 11.6 121 126 A N G < S+ 0 0 85 -3,-1.9 2,-1.1 -4,-0.3 -1,-0.3 0.425 78.6 93.7 -87.5 -2.0 43.1 60.4 12.7 122 127 A N < + 0 0 95 -3,-1.3 2,-0.3 -4,-0.2 -1,-0.2 -0.351 58.4 121.9 -90.0 53.0 42.9 58.7 16.1 123 128 A Y S S- 0 0 62 -2,-1.1 7,-0.1 -3,-0.1 8,-0.0 -0.734 77.3 -90.2-103.9 161.0 45.1 55.7 15.2 124 129 A E > - 0 0 130 -2,-0.3 3,-0.8 1,-0.0 5,-0.2 -0.627 50.9-129.4 -66.5 117.2 48.3 54.6 16.7 125 130 A P T 3 S+ 0 0 74 0, 0.0 4,-0.1 0, 0.0 -1,-0.0 -0.282 87.0 25.9 -65.6 159.0 51.0 56.5 14.7 126 131 A F T 3 S+ 0 0 211 1,-0.2 -2,-0.0 2,-0.1 114,-0.0 0.723 104.7 105.4 57.2 24.4 54.0 54.6 13.2 127 132 A S S X S- 0 0 14 -3,-0.8 3,-1.6 114,-0.0 -1,-0.2 -0.766 91.0 -99.9-121.1 170.2 51.8 51.4 13.2 128 133 A P T 3 S+ 0 0 52 0, 0.0 111,-0.1 0, 0.0 113,-0.1 0.667 115.6 73.2 -64.0 -13.5 50.0 49.5 10.4 129 134 A E T 3 + 0 0 69 -5,-0.2 111,-0.1 -4,-0.1 54,-0.0 0.482 63.1 133.9 -83.0 1.1 46.9 51.3 11.4 130 135 A V < - 0 0 35 -3,-1.6 2,-0.4 109,-0.3 109,-0.2 -0.241 52.1-136.8 -47.7 126.5 48.0 54.6 10.0 131 136 A Y + 0 0 23 -11,-0.2 2,-0.3 -10,-0.0 -1,-0.1 -0.787 35.6 153.5-100.5 134.1 45.0 56.0 8.0 132 137 A G - 0 0 32 -2,-0.4 2,-0.5 104,-0.1 104,-0.1 -0.960 32.6-131.9-153.2 142.9 45.2 57.6 4.6 133 138 A E - 0 0 85 -2,-0.3 2,-0.3 27,-0.1 27,-0.0 -0.873 12.7-134.6-105.3 127.8 42.6 57.8 1.8 134 139 A T - 0 0 6 195,-2.4 102,-0.0 -2,-0.5 29,-0.0 -0.583 37.6-112.0 -71.2 134.8 43.3 57.0 -1.8 135 140 A S > - 0 0 66 -2,-0.3 4,-2.0 1,-0.1 3,-0.3 -0.304 14.2-116.9 -73.2 154.2 41.8 59.7 -4.0 136 141 A F H > S+ 0 0 32 1,-0.2 4,-2.2 2,-0.2 5,-0.1 0.875 114.2 56.0 -49.7 -44.1 38.8 59.3 -6.3 137 142 A D H > S+ 0 0 75 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.865 105.9 48.0 -63.7 -38.3 41.0 60.1 -9.3 138 143 A L H > S+ 0 0 17 -3,-0.3 4,-2.7 2,-0.2 -1,-0.2 0.947 112.3 49.2 -67.4 -45.9 43.6 57.4 -8.6 139 144 A V H X S+ 0 0 1 -4,-2.0 4,-2.8 2,-0.2 -2,-0.2 0.890 110.3 52.7 -55.7 -39.8 40.9 54.8 -8.2 140 145 A A H X S+ 0 0 17 -4,-2.2 4,-2.1 2,-0.2 -1,-0.2 0.901 109.7 47.8 -64.8 -42.8 39.4 56.1 -11.5 141 146 A Q H X S+ 0 0 15 -4,-2.2 4,-2.7 2,-0.2 5,-0.3 0.896 110.4 52.1 -62.7 -40.6 42.7 55.6 -13.2 142 147 A M H X S+ 0 0 4 -4,-2.7 4,-2.9 1,-0.2 -2,-0.2 0.959 109.2 49.8 -60.1 -47.8 43.0 52.2 -11.7 143 148 A I H < S+ 0 0 26 -4,-2.8 5,-0.3 1,-0.2 -1,-0.2 0.887 113.9 46.1 -56.8 -41.1 39.6 51.3 -13.0 144 149 A D H < S+ 0 0 108 -4,-2.1 3,-0.2 1,-0.1 -1,-0.2 0.895 120.8 35.4 -68.5 -45.7 40.5 52.6 -16.5 145 150 A E H < S+ 0 0 88 -4,-2.7 2,-1.4 1,-0.2 -2,-0.2 0.894 114.0 54.7 -80.7 -42.0 43.9 50.9 -16.8 146 151 A I S < S- 0 0 2 -4,-2.9 -1,-0.2 -5,-0.3 114,-0.0 -0.643 85.7-156.0 -94.2 78.1 43.2 47.6 -14.9 147 152 A K - 0 0 150 -2,-1.4 2,-0.3 -3,-0.2 -3,-0.1 -0.323 9.8-161.9 -64.3 131.8 40.3 46.5 -17.0 148 153 A M - 0 0 28 -5,-0.3 25,-0.3 4,-0.1 2,-0.2 -0.884 7.6-169.3-117.7 148.5 38.0 44.2 -15.1 149 154 A T > - 0 0 62 -2,-0.3 3,-2.1 23,-0.1 26,-0.3 -0.695 47.3 -85.7-124.0 178.5 35.4 41.7 -16.3 150 155 A D T 3 S+ 0 0 105 1,-0.3 25,-0.1 -2,-0.2 24,-0.1 0.500 124.2 66.5 -67.3 -2.4 32.6 39.6 -14.7 151 156 A D T 3 S+ 0 0 135 23,-0.1 -1,-0.3 24,-0.1 2,-0.1 0.653 86.6 94.5 -84.5 -19.4 35.3 37.0 -14.2 152 157 A D < - 0 0 18 -3,-2.1 23,-1.8 21,-0.1 24,-0.7 -0.381 57.5-157.1 -81.9 148.8 37.2 39.2 -11.7 153 158 A L E -c 176 0C 55 21,-0.2 79,-2.2 22,-0.2 78,-0.8 -0.999 16.7-156.3-118.3 127.1 37.1 39.3 -7.9 154 159 A F E -cd 177 232C 0 22,-2.2 24,-2.3 -2,-0.4 2,-0.4 -0.868 12.2-179.5-108.7 135.1 38.2 42.6 -6.4 155 160 A V E -cd 178 233C 2 77,-2.4 79,-3.4 -2,-0.4 2,-0.7 -0.997 18.2-157.1-133.0 131.1 39.5 43.1 -2.8 156 161 A D E -cd 179 234C 0 22,-2.5 24,-1.8 -2,-0.4 2,-0.7 -0.932 20.1-148.8 -98.3 111.2 40.7 46.2 -1.0 157 162 A L E S+c 180 0C 0 77,-2.7 79,-0.5 -2,-0.7 24,-0.1 -0.736 86.0 12.9 -84.4 115.4 43.0 45.0 1.8 158 163 A G S S- 0 0 0 22,-1.9 23,-0.3 -2,-0.7 -1,-0.3 0.939 82.1-173.2 77.9 65.7 42.6 47.5 4.6 159 164 A S > - 0 0 2 21,-2.1 3,-2.3 -3,-0.5 5,-0.4 0.457 6.8-163.4 -82.8 -3.9 39.5 49.1 3.2 160 165 A G T 3 S- 0 0 0 1,-0.3 30,-0.2 20,-0.2 -1,-0.2 -0.356 75.0 -12.5 65.9-128.2 39.1 52.0 5.7 161 166 A V T 3 S- 0 0 0 168,-0.1 -1,-0.3 28,-0.1 32,-0.1 0.495 102.3-112.9 -83.3 -4.1 35.6 53.5 5.4 162 167 A G S <> S+ 0 0 0 -3,-2.3 4,-2.0 -4,-0.1 3,-0.2 0.515 73.8 134.0 97.2 8.8 35.2 51.5 2.2 163 168 A Q H > S+ 0 0 24 1,-0.2 4,-1.9 -4,-0.2 5,-0.1 0.722 70.5 56.8 -72.7 -22.0 35.0 54.2 -0.5 164 169 A V H > S+ 0 0 0 -5,-0.4 4,-2.5 2,-0.2 -1,-0.2 0.934 109.2 47.5 -68.1 -46.1 37.5 52.5 -2.9 165 170 A V H > S+ 0 0 0 -6,-0.2 4,-3.0 2,-0.2 -2,-0.2 0.916 111.0 51.2 -58.1 -46.6 35.2 49.4 -2.9 166 171 A L H X S+ 0 0 0 -4,-2.0 4,-2.0 2,-0.2 -1,-0.2 0.931 111.3 47.4 -58.7 -47.5 32.1 51.5 -3.5 167 172 A Q H X S+ 0 0 6 -4,-1.9 4,-1.3 2,-0.2 -2,-0.2 0.933 114.9 45.1 -60.3 -46.9 33.7 53.3 -6.4 168 173 A V H X S+ 0 0 0 -4,-2.5 4,-1.9 1,-0.2 3,-0.3 0.905 112.2 52.1 -65.7 -41.3 34.9 50.1 -8.0 169 174 A A H < S+ 0 0 0 -4,-3.0 40,-3.3 1,-0.2 -1,-0.2 0.833 111.7 47.9 -61.6 -34.5 31.5 48.3 -7.4 170 175 A A H < S+ 0 0 0 -4,-2.0 -1,-0.2 38,-0.2 -2,-0.2 0.730 118.6 39.0 -76.0 -25.7 29.7 51.2 -9.1 171 176 A A H < S+ 0 0 46 -4,-1.3 2,-0.3 -3,-0.3 -2,-0.2 0.616 113.6 43.5-105.4 -15.3 32.0 51.3 -12.1 172 177 A T < - 0 0 11 -4,-1.9 37,-0.4 -5,-0.1 -23,-0.1 -0.810 66.4-129.0-128.4 168.7 32.7 47.6 -12.9 173 178 A N + 0 0 86 -25,-0.3 -21,-0.1 -2,-0.3 -4,-0.1 -0.287 44.9 154.1-114.3 49.7 31.0 44.3 -13.2 174 179 A C - 0 0 5 -6,-0.2 36,-0.4 1,-0.1 -24,-0.2 -0.380 55.0-119.4 -60.2 153.5 33.2 42.1 -11.1 175 180 A K S S- 0 0 142 -23,-1.8 2,-0.3 -26,-0.3 35,-0.3 0.889 92.2 -2.3 -64.4 -40.3 31.3 39.1 -9.7 176 181 A H E -c 153 0C 20 -24,-0.7 -22,-2.2 33,-0.1 2,-0.4 -0.994 59.1-156.9-152.6 152.4 32.1 40.4 -6.2 177 182 A H E -ce 154 211C 0 33,-0.7 35,-2.1 -2,-0.3 2,-0.4 -0.985 17.2-172.0-126.5 136.5 34.0 43.2 -4.4 178 183 A Y E -ce 155 212C 57 -24,-2.3 -22,-2.5 -2,-0.4 2,-0.4 -0.969 12.9-169.8-128.5 148.6 35.2 43.0 -0.9 179 184 A G E -ce 156 213C 0 33,-1.8 35,-3.3 -2,-0.4 2,-0.4 -0.997 7.9-167.9-127.7 137.8 36.8 45.4 1.6 180 185 A V E +ce 157 214C 0 -24,-1.8 -21,-2.1 -2,-0.4 -22,-1.9 -0.991 7.6 177.9-125.4 133.0 38.3 44.2 4.8 181 186 A E E - e 0 215C 3 33,-1.9 35,-2.3 -2,-0.4 36,-0.1 -1.000 17.2-167.6-139.2 135.1 39.2 46.6 7.6 182 187 A K + 0 0 130 -2,-0.4 2,-0.2 33,-0.2 -1,-0.1 0.828 60.9 88.1 -92.6 -38.0 40.6 45.8 11.1 183 188 A A S > S- 0 0 15 1,-0.1 4,-2.0 33,-0.1 5,-0.2 -0.437 70.4-135.7 -75.4 139.5 40.4 49.1 13.0 184 189 A D H > S+ 0 0 111 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.886 95.9 52.6 -55.9 -53.2 37.2 49.9 14.9 185 190 A I H > S+ 0 0 63 2,-0.2 4,-2.2 1,-0.2 5,-0.2 0.961 116.0 36.5 -57.7 -56.9 36.6 53.5 13.9 186 191 A P H > S+ 0 0 9 0, 0.0 4,-2.7 0, 0.0 -1,-0.2 0.914 116.5 54.0 -64.9 -40.1 36.8 53.1 10.1 187 192 A A H X S+ 0 0 6 -4,-2.0 4,-0.8 2,-0.2 -2,-0.2 0.852 108.6 50.3 -59.6 -35.3 35.0 49.7 10.2 188 193 A K H >X S+ 0 0 124 -4,-2.3 4,-0.9 -5,-0.2 3,-0.9 0.946 111.5 46.8 -67.7 -49.2 32.2 51.4 12.1 189 194 A Y H >X S+ 0 0 22 -4,-2.2 4,-2.6 1,-0.2 3,-0.7 0.882 103.4 64.0 -55.4 -40.4 31.9 54.2 9.6 190 195 A A H 3X S+ 0 0 8 -4,-2.7 4,-2.4 -30,-0.2 -1,-0.2 0.776 94.9 60.6 -57.8 -29.8 32.0 51.7 6.7 191 196 A E H S+ 0 0 1 -4,-2.9 5,-2.9 -5,-0.3 4,-0.8 0.901 111.1 47.4 -63.7 -38.5 22.2 54.7 -5.6 202 207 A K H ><5S+ 0 0 155 -4,-2.0 3,-0.7 -5,-0.3 -2,-0.2 0.929 108.6 56.5 -62.4 -43.2 18.6 53.7 -5.3 203 208 A W H 3<5S+ 0 0 9 -4,-2.5 -194,-0.7 1,-0.3 -192,-0.3 0.867 112.9 38.6 -57.4 -42.7 17.7 57.4 -5.1 204 209 A Y H 3<5S- 0 0 0 -4,-2.2 -1,-0.3 -197,-0.1 -2,-0.2 0.566 113.0-118.6 -82.3 -11.1 19.4 58.2 -8.4 205 210 A G T <<5 + 0 0 10 -4,-0.8 -110,-0.5 -3,-0.7 2,-0.4 0.880 65.9 139.7 72.6 41.3 18.2 55.0 -10.0 206 211 A K < - 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