==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=8-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 05-FEB-03 1NW3 . COMPND 2 MOLECULE: HISTONE METHYLTRANSFERASE DOT1L; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR J.R.MIN,Q.FENG,Z.H.LI,Y.ZHANG,R.M.XU . 329 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17730.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 219 66.6 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 . 22 6.7 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 . 17 5.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 35 10.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 112 34.0 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 1 0 2 1 2 0 0 0 2 0 0 0 0 0 1 0 1 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 . 1 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 0 138 0, 0.0 17,-1.3 0, 0.0 2,-0.2 0.000 360.0 360.0 360.0 139.1 84.2 -26.6 5.8 2 6 A E E -A 17 0A 89 15,-0.3 2,-0.3 2,-0.0 18,-0.1 -0.875 360.0-119.8-158.1-172.4 84.9 -24.2 2.9 3 7 A L E -A 16 0A 5 13,-1.4 13,-3.5 -2,-0.2 2,-0.4 -0.984 26.3-159.5-143.9 135.4 84.6 -23.3 -0.8 4 8 A R E -A 15 0A 126 -2,-0.3 2,-0.5 11,-0.2 11,-0.2 -0.954 11.1-167.1-125.4 142.2 87.6 -22.7 -3.1 5 9 A L E -A 14 0A 0 9,-2.5 9,-3.1 -2,-0.4 2,-0.2 -0.981 21.7-139.1-126.2 116.8 88.1 -20.8 -6.4 6 10 A K - 0 0 83 -2,-0.5 6,-0.1 7,-0.2 72,-0.0 -0.493 23.7-111.6 -74.6 144.8 91.3 -21.4 -8.2 7 11 A S > - 0 0 2 4,-0.7 3,-1.5 -2,-0.2 198,-0.1 -0.522 14.4-132.4 -75.9 137.8 93.0 -18.4 -9.9 8 12 A P T 3 S+ 0 0 0 0, 0.0 84,-0.1 0, 0.0 -1,-0.1 0.649 108.1 41.1 -66.7 -9.1 93.1 -18.4 -13.7 9 13 A V T 3 S- 0 0 46 195,-0.6 196,-0.1 194,-0.1 197,-0.0 0.177 122.4 -96.0-123.5 18.3 96.8 -17.5 -13.4 10 14 A G S < S+ 0 0 58 -3,-1.5 194,-0.1 1,-0.2 -4,-0.0 0.521 72.8 143.0 85.7 2.0 98.0 -19.7 -10.6 11 15 A A - 0 0 34 193,-0.3 -4,-0.7 192,-0.2 -1,-0.2 -0.167 69.9 -66.0 -65.8 173.6 97.8 -17.3 -7.7 12 16 A E - 0 0 165 -6,-0.1 -1,-0.2 1,-0.1 -2,-0.0 -0.361 65.1-103.1 -61.2 138.9 96.7 -18.8 -4.4 13 17 A P - 0 0 42 0, 0.0 2,-0.5 0, 0.0 -7,-0.2 -0.174 31.8-112.4 -60.5 159.9 93.1 -20.0 -4.6 14 18 A A E -A 5 0A 12 -9,-3.1 -9,-2.5 -3,-0.1 2,-0.5 -0.836 33.7-156.2 -94.1 130.5 90.4 -17.8 -3.0 15 19 A V E -A 4 0A 70 -2,-0.5 -11,-0.2 -11,-0.2 -13,-0.0 -0.940 11.4-171.6-117.1 125.5 88.9 -19.6 0.0 16 20 A Y E -A 3 0A 7 -13,-3.5 -13,-1.4 -2,-0.5 4,-0.1 -0.950 18.0-138.5-114.7 123.9 85.4 -18.9 1.4 17 21 A P E -A 2 0A 75 0, 0.0 -15,-0.3 0, 0.0 -13,-0.0 -0.305 37.0 -83.8 -73.2 162.0 84.3 -20.5 4.7 18 22 A W S S+ 0 0 58 -17,-1.3 2,-0.2 2,-0.1 -15,-0.0 -0.931 108.3 46.3-118.7 142.5 80.8 -21.9 5.0 19 23 A P S S- 0 0 103 0, 0.0 43,-0.1 0, 0.0 45,-0.0 0.557 98.5-122.1 -65.1 154.4 78.2 -20.7 5.7 20 24 A L - 0 0 27 41,-0.2 -2,-0.1 -2,-0.2 10,-0.1 -0.490 29.6-120.4 -70.8 134.7 78.9 -17.9 3.2 21 25 A P - 0 0 60 0, 0.0 8,-3.1 0, 0.0 9,-0.4 -0.295 14.0-126.8 -76.9 163.8 78.8 -14.5 4.8 22 26 A V E -B 28 0B 106 6,-0.3 6,-0.3 1,-0.1 3,-0.1 -0.863 14.5-169.6-106.8 141.3 76.5 -11.5 4.0 23 27 A Y E - 0 0 40 4,-3.2 2,-0.3 1,-0.5 5,-0.2 0.820 65.5 -39.3 -98.2 -42.2 78.0 -8.1 3.2 24 28 A D E > S-B 27 0B 64 3,-2.0 3,-1.5 94,-0.0 -1,-0.5 -0.924 80.9 -60.6-167.1-175.6 74.8 -6.0 3.2 25 29 A K T 3 S+ 0 0 188 -2,-0.3 3,-0.1 1,-0.3 -3,-0.0 0.683 133.9 28.5 -55.0 -23.0 71.2 -6.2 2.1 26 30 A H T 3 S+ 0 0 143 1,-0.1 2,-0.4 -4,-0.0 -1,-0.3 0.239 115.1 62.5-125.2 14.9 72.2 -6.6 -1.6 27 31 A H E < +B 24 0B 56 -3,-1.5 -4,-3.2 85,-0.0 -3,-2.0 -0.963 49.3 158.8-147.5 126.5 75.5 -8.3 -1.4 28 32 A D E > -B 22 0B 55 -2,-0.4 4,-1.5 -6,-0.3 3,-0.3 -0.924 49.7-107.1-138.5 164.4 76.7 -11.7 -0.1 29 33 A A H > S+ 0 0 0 -8,-3.1 4,-2.6 -2,-0.3 5,-0.2 0.854 113.8 61.7 -59.5 -37.6 79.7 -14.0 -0.6 30 34 A A H > S+ 0 0 3 -9,-0.4 4,-2.0 1,-0.2 -1,-0.2 0.919 107.1 43.5 -57.7 -44.7 77.6 -16.5 -2.6 31 35 A H H > S+ 0 0 90 -3,-0.3 4,-2.6 2,-0.2 -1,-0.2 0.837 109.9 57.4 -70.8 -31.4 76.8 -14.0 -5.3 32 36 A E H X S+ 0 0 10 -4,-1.5 4,-2.7 2,-0.2 -2,-0.2 0.931 107.1 49.4 -61.7 -46.1 80.4 -12.8 -5.3 33 37 A I H X S+ 0 0 0 -4,-2.6 4,-2.5 2,-0.2 5,-0.2 0.957 111.9 46.5 -57.3 -53.5 81.5 -16.3 -6.1 34 38 A I H X S+ 0 0 23 -4,-2.0 4,-2.1 1,-0.2 -1,-0.2 0.909 115.1 47.2 -58.9 -42.3 79.0 -16.7 -8.9 35 39 A E H X S+ 0 0 43 -4,-2.6 4,-2.7 2,-0.2 -1,-0.2 0.861 108.7 54.6 -69.3 -35.3 80.0 -13.3 -10.3 36 40 A T H X S+ 0 0 0 -4,-2.7 4,-2.6 2,-0.2 5,-0.3 0.943 109.5 46.9 -63.9 -44.5 83.7 -14.1 -10.0 37 41 A I H X S+ 0 0 10 -4,-2.5 4,-2.2 1,-0.2 -2,-0.2 0.929 111.6 52.7 -61.8 -42.4 83.3 -17.3 -12.0 38 42 A R H X S+ 0 0 116 -4,-2.1 4,-1.0 -5,-0.2 -1,-0.2 0.924 111.8 45.6 -58.3 -44.4 81.2 -15.3 -14.6 39 43 A W H X S+ 0 0 35 -4,-2.7 4,-1.3 2,-0.2 3,-0.3 0.859 107.9 53.4 -71.8 -34.6 84.0 -12.7 -14.9 40 44 A V H >X S+ 0 0 0 -4,-2.6 4,-2.2 1,-0.3 3,-0.5 0.907 104.7 59.4 -65.5 -34.1 86.9 -15.1 -15.2 41 45 A C H 3< S+ 0 0 11 -4,-2.2 7,-0.6 -5,-0.3 -1,-0.3 0.857 102.5 52.2 -59.1 -33.2 84.8 -16.6 -18.0 42 46 A E H 3< S+ 0 0 87 -4,-1.0 -1,-0.3 -3,-0.3 -2,-0.2 0.800 108.3 50.7 -73.2 -27.9 84.9 -13.2 -19.7 43 47 A E H << S+ 0 0 28 -4,-1.3 -2,-0.2 -3,-0.5 -1,-0.2 0.843 116.7 42.1 -75.3 -33.7 88.7 -13.2 -19.4 44 48 A I X - 0 0 4 -4,-2.2 4,-2.4 1,-0.2 3,-0.4 -0.867 61.1-168.3-125.6 103.8 89.0 -16.6 -20.9 45 49 A P H > S+ 0 0 96 0, 0.0 4,-3.0 0, 0.0 5,-0.2 0.899 92.9 52.0 -49.6 -49.6 87.0 -17.7 -23.9 46 50 A D H > S+ 0 0 61 1,-0.2 4,-1.1 2,-0.2 5,-0.1 0.888 109.8 50.6 -59.4 -37.1 87.9 -21.4 -23.6 47 51 A L H >> S+ 0 0 0 -3,-0.4 4,-1.6 2,-0.2 3,-0.7 0.935 111.2 46.5 -66.1 -45.7 86.8 -21.2 -19.9 48 52 A K H 3X S+ 0 0 90 -4,-2.4 4,-1.1 -7,-0.6 3,-0.3 0.912 108.8 57.3 -60.7 -40.8 83.5 -19.7 -20.8 49 53 A L H 3< S+ 0 0 107 -4,-3.0 4,-0.3 -5,-0.2 -1,-0.3 0.774 109.7 45.1 -59.9 -28.2 83.1 -22.3 -23.5 50 54 A A H << S+ 0 0 26 -4,-1.1 3,-0.3 -3,-0.7 -1,-0.2 0.714 104.6 60.8 -90.1 -23.7 83.5 -25.0 -20.9 51 55 A M H < S+ 0 0 20 -4,-1.6 4,-0.5 -3,-0.3 -2,-0.2 0.680 89.7 69.3 -78.6 -18.2 81.1 -23.5 -18.3 52 56 A E S < S+ 0 0 135 -4,-1.1 2,-0.6 2,-0.1 -1,-0.2 0.877 74.9 105.1 -64.6 -36.2 78.1 -23.6 -20.7 53 57 A N S S- 0 0 85 -3,-0.3 2,-0.1 -4,-0.3 3,-0.1 -0.288 105.2 -34.9 -54.4 96.7 78.1 -27.4 -20.4 54 58 A Y S S+ 0 0 213 -2,-0.6 2,-3.0 1,-0.2 4,-0.3 0.043 90.9 130.5 80.5 -24.9 75.3 -28.5 -18.1 55 59 A V + 0 0 58 -4,-0.5 2,-1.0 1,-0.2 -1,-0.2 -0.332 25.4 166.3 -65.2 76.7 75.2 -25.6 -15.6 56 60 A L - 0 0 137 -2,-3.0 -1,-0.2 1,-0.1 -4,-0.0 -0.339 68.5 -87.8 -90.5 51.1 71.5 -25.2 -16.0 57 61 A I S S+ 0 0 110 -2,-1.0 2,-4.3 1,-0.2 -2,-0.1 0.470 80.5 148.9 59.3 2.6 71.2 -22.9 -12.9 58 62 A D + 0 0 124 -4,-0.3 2,-0.4 2,-0.0 -1,-0.2 0.006 43.3 98.2 -61.5 41.4 70.8 -26.1 -10.8 59 63 A Y - 0 0 73 -2,-4.3 2,-0.4 -4,-0.1 8,-0.1 -0.969 53.1-168.1-130.7 145.1 72.5 -24.2 -7.9 60 64 A D > - 0 0 70 -2,-0.4 3,-1.4 3,-0.2 7,-0.2 -0.987 28.2-130.0-137.8 124.5 71.0 -22.4 -5.0 61 65 A T T 3 S+ 0 0 66 -2,-0.4 -41,-0.2 1,-0.3 -31,-0.1 0.565 103.5 63.9 -48.7 -11.5 73.0 -20.1 -2.7 62 66 A K T 3 S+ 0 0 182 -43,-0.1 2,-0.4 1,-0.0 -1,-0.3 0.885 86.9 73.8 -83.4 -42.2 71.5 -22.0 0.3 63 67 A S <> - 0 0 35 -3,-1.4 4,-1.6 1,-0.2 -3,-0.2 -0.627 61.1-157.5 -82.8 125.8 73.0 -25.4 -0.3 64 68 A F H >> S+ 0 0 18 -2,-0.4 4,-3.5 1,-0.2 3,-0.7 0.967 97.1 50.5 -59.5 -55.6 76.7 -26.0 0.4 65 69 A E H 3> S+ 0 0 122 1,-0.3 4,-1.5 2,-0.2 -1,-0.2 0.877 108.8 52.6 -50.5 -43.9 76.8 -29.1 -1.9 66 70 A S H 3> S+ 0 0 18 2,-0.2 4,-0.8 1,-0.2 -1,-0.3 0.838 114.7 41.1 -63.9 -34.6 75.1 -27.1 -4.7 67 71 A M H X S+ 0 0 122 -4,-1.7 4,-1.0 -3,-0.2 3,-1.0 0.890 107.1 59.2 -74.4 -39.4 96.8 -27.9 -19.4 84 88 A L H 3<>S+ 0 0 68 -4,-2.8 5,-0.5 1,-0.3 3,-0.4 0.844 103.3 51.8 -57.2 -35.3 95.7 -26.2 -22.6 85 89 A W H 3<5S+ 0 0 44 -4,-1.8 -1,-0.3 1,-0.2 -2,-0.2 0.720 101.4 60.3 -76.0 -20.1 98.3 -23.5 -22.1 86 90 A K H <<5S+ 0 0 152 -3,-1.0 -1,-0.2 -4,-0.6 -2,-0.2 0.749 106.3 57.6 -75.6 -22.2 101.0 -26.2 -21.6 87 91 A G T <5S- 0 0 52 -4,-1.0 -3,-0.1 -3,-0.4 -2,-0.1 0.475 123.5 -67.6 -77.8-135.4 100.1 -27.3 -25.1 88 92 A T T 5S+ 0 0 137 2,-0.1 -3,-0.1 -4,-0.0 -4,-0.1 0.813 96.9 109.7 -91.8 -33.0 100.3 -24.9 -28.1 89 93 A T S - 0 0 68 -2,-0.1 4,-2.4 1,-0.1 5,-0.2 -0.307 35.1-102.9 -70.0 167.5 87.9 -4.1 -18.6 100 104 A T H > S+ 0 0 81 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.910 121.7 51.3 -60.0 -43.5 85.5 -1.6 -17.0 101 105 A G H > S+ 0 0 20 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.884 112.0 45.3 -62.5 -40.5 83.0 -4.4 -16.2 102 106 A L H > S+ 0 0 4 2,-0.2 4,-2.9 1,-0.2 -1,-0.2 0.897 111.4 54.6 -69.4 -38.2 85.6 -6.6 -14.5 103 107 A L H X S+ 0 0 5 -4,-2.4 4,-2.7 2,-0.2 5,-0.3 0.914 104.4 52.8 -62.0 -44.0 86.9 -3.6 -12.6 104 108 A R H X S+ 0 0 106 -4,-2.4 4,-2.1 1,-0.2 -1,-0.2 0.954 112.8 45.5 -56.1 -48.6 83.5 -2.8 -11.2 105 109 A H H X S+ 0 0 19 -4,-1.6 4,-2.4 1,-0.2 -2,-0.2 0.908 111.5 52.1 -61.0 -44.1 83.2 -6.3 -9.9 106 110 A I H X S+ 0 0 0 -4,-2.9 4,-2.9 1,-0.2 -1,-0.2 0.899 110.6 46.7 -61.2 -42.8 86.8 -6.4 -8.5 107 111 A L H X S+ 0 0 14 -4,-2.7 4,-2.6 2,-0.2 -1,-0.2 0.870 110.5 53.4 -67.9 -35.7 86.3 -3.1 -6.5 108 112 A Q H X S+ 0 0 65 -4,-2.1 4,-2.7 -5,-0.3 -2,-0.2 0.946 112.4 45.4 -60.6 -47.5 83.0 -4.5 -5.2 109 113 A Q H X S+ 0 0 1 -4,-2.4 4,-2.1 2,-0.2 -2,-0.2 0.936 113.4 48.0 -60.4 -51.7 84.8 -7.6 -4.1 110 114 A V H X S+ 0 0 0 -4,-2.9 4,-0.9 2,-0.2 -1,-0.2 0.918 112.8 50.1 -58.3 -44.1 87.7 -5.7 -2.5 111 115 A Y H >X S+ 0 0 42 -4,-2.6 4,-3.3 1,-0.2 3,-1.5 0.968 110.1 48.6 -58.5 -56.6 85.3 -3.4 -0.7 112 116 A N H 3< S+ 0 0 14 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.815 114.4 46.1 -55.0 -34.6 83.2 -6.2 0.7 113 117 A H H 3< S+ 0 0 51 -4,-2.1 -1,-0.3 -5,-0.2 -2,-0.2 0.590 122.9 37.3 -84.5 -10.9 86.3 -8.0 2.0 114 118 A S H << S+ 0 0 3 -3,-1.5 2,-1.7 -4,-0.9 3,-0.2 0.839 106.3 55.8-107.6 -49.5 87.7 -4.8 3.4 115 119 A V < + 0 0 5 -4,-3.3 -1,-0.2 1,-0.2 6,-0.0 -0.597 61.7 167.1 -88.8 78.5 84.9 -2.6 4.9 116 120 A T S S+ 0 0 114 -2,-1.7 -1,-0.2 1,-0.3 3,-0.1 0.890 74.0 35.2 -60.2 -41.3 83.6 -5.2 7.3 117 121 A D > + 0 0 65 -3,-0.2 3,-1.5 1,-0.2 4,-0.4 -0.687 66.6 176.9-118.9 81.0 81.5 -2.7 9.2 118 122 A P G > S+ 0 0 49 0, 0.0 3,-1.8 0, 0.0 4,-0.4 0.811 76.1 67.8 -49.3 -37.0 80.2 -0.1 6.7 119 123 A E G > S+ 0 0 117 1,-0.3 3,-2.3 2,-0.2 4,-0.4 0.867 86.3 67.9 -54.5 -39.9 78.2 1.6 9.5 120 124 A K G X S+ 0 0 95 -3,-1.5 3,-1.2 1,-0.3 -1,-0.3 0.742 87.8 68.2 -53.6 -24.3 81.4 2.7 11.2 121 125 A L G < S+ 0 0 9 -3,-1.8 -1,-0.3 -4,-0.4 11,-0.2 0.736 94.4 56.1 -69.4 -21.8 82.1 5.1 8.2 122 126 A N G < S+ 0 0 77 -3,-2.3 2,-2.2 -4,-0.4 -1,-0.3 0.512 77.4 99.5 -87.7 -5.0 79.1 7.2 9.2 123 127 A N < + 0 0 97 -3,-1.2 2,-0.3 -4,-0.4 -1,-0.1 -0.492 58.7 120.4 -81.0 69.8 80.5 7.8 12.7 124 128 A Y S S- 0 0 62 -2,-2.2 7,-0.1 8,-0.1 -3,-0.0 -0.908 77.9 -88.6-130.5 157.9 81.9 11.2 11.8 125 129 A E - 0 0 132 -2,-0.3 3,-0.3 1,-0.1 5,-0.3 -0.553 50.8-130.1 -68.5 114.8 81.2 14.7 13.1 126 130 A P S S+ 0 0 79 0, 0.0 4,-0.1 0, 0.0 -1,-0.1 -0.234 87.0 27.9 -62.6 157.7 78.2 15.9 11.1 127 131 A F S S+ 0 0 208 1,-0.2 -2,-0.0 2,-0.1 114,-0.0 0.948 103.8 102.6 54.8 51.8 78.4 19.3 9.5 128 132 A S S > S- 0 0 16 -3,-0.3 3,-1.8 114,-0.0 -1,-0.2 -0.943 90.7 -98.7-152.9 168.2 82.2 19.1 9.2 129 133 A P T 3 S+ 0 0 50 0, 0.0 111,-0.1 0, 0.0 112,-0.1 0.643 116.1 73.9 -66.9 -12.0 84.9 18.5 6.6 130 134 A E T 3 + 0 0 72 -5,-0.3 111,-0.1 110,-0.1 54,-0.0 0.500 65.3 130.3 -79.8 -5.4 85.0 14.9 8.0 131 135 A V < - 0 0 32 -3,-1.8 2,-0.3 109,-0.2 109,-0.2 -0.287 51.8-140.2 -54.4 128.6 81.6 14.1 6.4 132 136 A Y + 0 0 25 -11,-0.2 2,-0.3 -10,-0.1 -1,-0.1 -0.706 35.4 146.4 -95.9 144.3 81.9 10.8 4.5 133 137 A G - 0 0 29 -2,-0.3 2,-0.4 104,-0.1 104,-0.1 -0.893 36.5-127.8-170.1 142.6 80.3 10.1 1.1 134 138 A E - 0 0 86 -2,-0.3 2,-0.4 196,-0.2 3,-0.1 -0.878 14.4-130.2-110.2 136.2 81.5 7.9 -1.8 135 139 A T - 0 0 9 -2,-0.4 5,-0.0 1,-0.1 102,-0.0 -0.626 39.7-106.0 -76.9 130.5 81.8 9.0 -5.4 136 140 A S > - 0 0 61 -2,-0.4 4,-2.1 1,-0.1 3,-0.3 -0.186 16.6-121.9 -60.0 147.5 80.1 6.5 -7.7 137 141 A F H > S+ 0 0 34 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.910 112.9 56.8 -52.7 -44.2 82.1 4.1 -9.8 138 142 A D H > S+ 0 0 83 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.877 104.8 48.5 -58.6 -42.2 80.3 5.5 -12.9 139 143 A L H > S+ 0 0 10 -3,-0.3 4,-3.0 2,-0.2 -1,-0.2 0.935 112.1 49.0 -64.9 -45.2 81.4 9.1 -12.2 140 144 A V H X S+ 0 0 1 -4,-2.1 4,-2.7 1,-0.2 -1,-0.2 0.880 110.9 51.9 -60.2 -36.0 85.0 8.0 -11.7 141 145 A A H X S+ 0 0 14 -4,-2.3 4,-2.0 -5,-0.2 -1,-0.2 0.902 109.2 49.9 -66.8 -39.5 84.7 6.1 -14.9 142 146 A Q H X S+ 0 0 15 -4,-2.4 4,-2.7 2,-0.2 5,-0.3 0.921 109.7 50.2 -64.9 -44.2 83.4 9.2 -16.6 143 147 A M H X S+ 0 0 1 -4,-3.0 4,-3.2 1,-0.2 -2,-0.2 0.962 109.2 51.9 -58.5 -49.8 86.3 11.3 -15.3 144 148 A I H < S+ 0 0 23 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.866 113.3 44.7 -55.0 -38.6 88.7 8.7 -16.5 145 149 A D H < S+ 0 0 109 -4,-2.0 -1,-0.2 -5,-0.1 -2,-0.2 0.874 121.3 36.8 -75.1 -38.3 87.2 8.8 -20.0 146 150 A E H < S+ 0 0 87 -4,-2.7 2,-1.3 1,-0.2 -2,-0.2 0.892 111.5 56.6 -82.2 -41.8 87.0 12.6 -20.3 147 151 A I S < S- 0 0 5 -4,-3.2 -1,-0.2 -5,-0.3 114,-0.0 -0.648 84.6-151.3 -93.0 80.3 90.1 13.7 -18.5 148 152 A K - 0 0 145 -2,-1.3 2,-0.3 -3,-0.2 -3,-0.1 -0.215 15.6-168.3 -53.9 137.4 92.8 11.8 -20.5 149 153 A M - 0 0 24 -5,-0.2 2,-0.3 4,-0.1 25,-0.2 -0.897 7.0-171.0-128.3 157.8 95.9 10.9 -18.5 150 154 A T > - 0 0 56 -2,-0.3 3,-1.5 23,-0.1 26,-0.4 -0.813 47.7 -83.9-138.5 178.4 99.3 9.7 -19.5 151 155 A D T 3 S+ 0 0 106 1,-0.3 24,-0.1 -2,-0.3 25,-0.0 0.497 123.7 64.9 -66.2 -1.0 102.5 8.3 -17.9 152 156 A D T 3 S+ 0 0 138 23,-0.1 -1,-0.3 24,-0.1 23,-0.1 0.783 87.8 89.4 -89.0 -30.7 103.4 12.0 -17.4 153 157 A D < - 0 0 19 -3,-1.5 23,-2.0 79,-0.1 24,-0.7 -0.168 60.6-152.3 -70.1 156.2 100.6 12.7 -15.0 154 158 A L E -c 177 0C 44 21,-0.2 79,-2.3 22,-0.2 78,-0.8 -0.997 17.4-155.4-128.2 121.9 100.4 12.4 -11.3 155 159 A F E -cd 178 233C 0 22,-2.1 24,-2.7 -2,-0.4 2,-0.4 -0.856 12.6-179.2-105.1 135.9 97.0 11.8 -9.8 156 160 A V E -cd 179 234C 1 77,-2.3 79,-3.3 -2,-0.4 2,-0.7 -0.996 19.1-158.6-137.6 134.7 95.8 12.6 -6.3 157 161 A D E > -cd 180 235C 0 22,-2.3 24,-1.9 -2,-0.4 2,-0.8 -0.937 20.0-150.3-109.4 106.2 92.5 12.1 -4.5 158 162 A L E 3 S+c 181 0C 0 77,-2.1 79,-0.5 -2,-0.7 24,-0.1 -0.703 85.9 14.4 -80.8 112.9 92.5 14.6 -1.6 159 163 A G T 3 S- 0 0 1 22,-2.5 23,-0.3 -2,-0.8 -1,-0.3 0.916 81.7-176.4 84.1 58.8 90.4 13.1 1.2 160 164 A S X - 0 0 2 21,-2.1 3,-2.6 -3,-0.6 5,-0.4 0.427 9.2-162.1 -70.6 -6.2 90.5 9.6 -0.4 161 165 A G T 3 S- 0 0 0 1,-0.3 30,-0.2 20,-0.2 -1,-0.2 -0.357 75.1 -13.3 60.5-127.3 88.3 7.8 2.2 162 166 A V T 3 S- 0 0 0 -2,-0.1 -1,-0.3 28,-0.1 32,-0.1 0.429 103.4-112.7 -87.1 2.2 88.8 4.0 2.0 163 167 A G S <> S+ 0 0 0 -3,-2.6 4,-2.0 18,-0.1 -2,-0.2 0.580 72.7 136.1 84.1 16.1 90.6 4.8 -1.3 164 168 A Q H > S+ 0 0 22 -4,-0.3 4,-2.0 1,-0.2 5,-0.1 0.731 71.6 56.5 -71.3 -21.4 88.4 3.3 -4.0 165 169 A V H > S+ 0 0 0 -5,-0.4 4,-2.6 2,-0.2 -1,-0.2 0.930 109.0 47.8 -72.0 -43.0 88.7 6.2 -6.4 166 170 A V H > S+ 0 0 0 -6,-0.2 4,-3.0 1,-0.2 5,-0.2 0.921 111.5 50.7 -61.4 -44.0 92.4 5.8 -6.3 167 171 A L H X S+ 0 0 0 -4,-2.0 4,-2.0 2,-0.2 -1,-0.2 0.939 110.2 48.4 -61.8 -45.6 92.2 2.1 -6.9 168 172 A Q H X S+ 0 0 7 -4,-2.0 4,-1.5 1,-0.2 -2,-0.2 0.947 114.7 45.6 -61.5 -45.9 89.8 2.5 -9.9 169 173 A V H X S+ 0 0 0 -4,-2.6 4,-2.4 1,-0.2 3,-0.2 0.914 110.9 52.4 -64.7 -40.8 92.1 5.2 -11.5 170 174 A A H < S+ 0 0 0 -4,-3.0 40,-3.3 1,-0.2 -1,-0.2 0.836 111.4 48.2 -63.5 -31.4 95.2 3.2 -10.9 171 175 A A H < S+ 0 0 0 -4,-2.0 -1,-0.2 38,-0.2 -2,-0.2 0.770 118.2 40.1 -78.6 -25.9 93.6 0.2 -12.6 172 176 A A H < S+ 0 0 44 -4,-1.5 2,-0.2 -3,-0.2 -2,-0.2 0.726 113.7 41.9 -97.5 -23.3 92.4 2.2 -15.6 173 177 A T < - 0 0 12 -4,-2.4 37,-0.4 -5,-0.2 -23,-0.1 -0.731 66.7-129.0-123.1 171.3 95.3 4.6 -16.4 174 178 A N + 0 0 82 -2,-0.2 -4,-0.1 -25,-0.2 -21,-0.1 -0.300 44.8 154.9-115.4 50.4 99.0 4.6 -16.6 175 179 A C - 0 0 7 -6,-0.2 36,-0.5 1,-0.1 -24,-0.2 -0.288 55.5-116.7 -66.7 161.2 100.0 7.7 -14.5 176 180 A K S S- 0 0 144 -23,-2.0 2,-0.3 -26,-0.4 35,-0.2 0.877 93.9 -5.8 -69.1 -36.3 103.5 7.5 -13.0 177 181 A H E -c 154 0C 27 -24,-0.7 -22,-2.1 33,-0.1 2,-0.4 -0.990 59.0-153.4-157.7 152.1 101.9 7.5 -9.6 178 182 A H E -ce 155 212C 0 33,-0.9 35,-2.4 -2,-0.3 2,-0.3 -0.988 18.9-170.5-127.0 134.3 98.5 7.7 -7.9 179 183 A Y E -ce 156 213C 56 -24,-2.7 -22,-2.3 -2,-0.4 2,-0.4 -0.942 13.7-170.3-129.2 154.5 98.0 8.9 -4.4 180 184 A G E -ce 157 214C 0 33,-1.7 35,-3.6 -2,-0.3 2,-0.4 -0.996 7.0-170.0-138.1 128.9 95.2 9.1 -1.9 181 185 A V E +ce 158 215C 0 -24,-1.9 -22,-2.5 -2,-0.4 -21,-2.1 -0.995 8.3 177.3-123.4 132.3 95.5 11.0 1.4 182 186 A E E - e 0 216C 2 33,-2.1 35,-2.4 -2,-0.4 -2,-0.0 -0.999 17.5-164.9-136.7 136.8 92.9 10.6 4.1 183 187 A K + 0 0 124 -2,-0.4 -1,-0.1 33,-0.2 35,-0.1 0.879 61.3 86.5 -90.4 -43.4 92.8 12.2 7.5 184 188 A A S > S- 0 0 9 1,-0.1 4,-1.9 33,-0.1 5,-0.2 -0.353 70.8-136.6 -64.7 139.2 90.1 10.3 9.5 185 189 A D H > S+ 0 0 104 2,-0.2 4,-3.0 3,-0.2 5,-0.2 0.896 97.3 55.2 -61.2 -45.7 91.3 7.1 11.3 186 190 A I H > S+ 0 0 59 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.980 114.1 35.4 -57.9 -62.9 88.3 5.0 10.4 187 191 A P H > S+ 0 0 8 0, 0.0 4,-2.1 0, 0.0 -1,-0.2 0.921 119.2 53.1 -60.5 -36.8 88.4 5.4 6.6 188 192 A A H X S+ 0 0 6 -4,-1.9 4,-1.0 2,-0.2 -2,-0.2 0.892 107.1 51.4 -63.9 -38.3 92.2 5.4 6.7 189 193 A K H >X S+ 0 0 122 -4,-3.0 3,-1.3 1,-0.2 4,-0.8 0.969 110.3 48.1 -63.0 -51.1 92.3 2.2 8.6 190 194 A Y H >X S+ 0 0 25 -4,-2.3 4,-2.9 1,-0.3 3,-0.7 0.855 101.7 67.2 -55.5 -34.9 90.0 0.5 6.1 191 195 A A H 3X S+ 0 0 9 -4,-2.1 4,-2.8 1,-0.3 -1,-0.3 0.836 92.8 59.0 -56.4 -34.1 92.2 1.8 3.4 192 196 A E H S+ 0 0 2 -4,-2.9 5,-2.6 -5,-0.3 4,-1.0 0.929 111.3 46.3 -62.1 -39.6 94.3 -8.0 -9.1 203 207 A K H ><5S+ 0 0 152 -4,-2.0 3,-0.9 -5,-0.3 -2,-0.2 0.944 107.8 57.4 -64.5 -44.9 97.0 -10.7 -8.9 204 208 A W H 3<5S+ 0 0 7 -4,-2.4 -195,-0.6 1,-0.3 -193,-0.3 0.875 113.5 37.8 -52.7 -42.7 94.4 -13.3 -8.6 205 209 A Y H 3<5S- 0 0 0 -4,-2.2 -1,-0.3 -198,-0.1 -2,-0.2 0.558 112.1-119.8 -86.0 -10.5 92.7 -12.3 -11.9 206 210 A G T <<5 + 0 0 3 -4,-1.0 -110,-0.5 -3,-0.9 2,-0.3 0.853 62.5 145.8 75.0 35.3 96.1 -11.6 -13.5 207 211 A K < - 0 0 33 -5,-2.6 -1,-0.3 -6,-0.2 -110,-0.2 -0.831 42.5-129.0-110.1 147.7 95.3 -7.9 -14.2 208 212 A K - 0 0 94 -112,-3.4 2,-0.3 -2,-0.3 -113,-0.1 -0.583 21.0-174.9 -92.7 151.9 97.8 -5.0 -14.1 209 213 A H - 0 0 43 -2,-0.2 -38,-0.2 -112,-0.1 3,-0.1 -0.987 25.6-112.7-142.3 150.1 97.5 -1.7 -12.2 210 214 A A - 0 0 7 -40,-3.3 2,-0.2 -37,-0.4 -34,-0.1 -0.174 51.9 -72.2 -74.0 174.9 99.6 1.4 -12.2 211 215 A E + 0 0 120 -36,-0.5 -33,-0.9 -35,-0.2 2,-0.3 -0.473 61.5 164.0 -71.4 137.6 101.6 2.5 -9.1 212 216 A Y E -e 178 0C 5 -35,-0.2 2,-0.4 -2,-0.2 -33,-0.2 -0.992 23.4-159.8-152.5 156.5 99.6 3.9 -6.3 213 217 A T E -e 179 0C 50 -35,-2.4 -33,-1.7 -2,-0.3 2,-0.6 -0.999 8.5-152.9-140.1 132.4 99.9 4.7 -2.6 214 218 A L E -e 180 0C 30 -2,-0.4 2,-0.3 -35,-0.2 -33,-0.2 -0.939 26.1-169.9-107.3 118.8 97.2 5.2 0.0 215 219 A E E -e 181 0C 48 -35,-3.6 -33,-2.1 -2,-0.6 2,-0.6 -0.869 26.3-135.9-117.7 147.3 98.3 7.5 2.8 216 220 A R E +e 182 0C 127 -2,-0.3 2,-0.3 -35,-0.2 -33,-0.2 -0.847 60.3 102.9 -92.9 121.0 97.1 8.6 6.2 217 221 A G - 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