==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=29-APR-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE/TRANSFERASE INHIBITOR 19-APR-12 4ER0 . COMPND 2 MOLECULE: HISTONE-LYSINE N-METHYLTRANSFERASE, H3 LYSINE-79 . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR A.K.WERNIMONT,W.TEMPEL,W.YU,Y.LI,K.T.NGUYEN,A.FEDERATION,J.M . 315 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16393.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 221 70.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 22 7.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 21 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 1.0 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 . 1 0.3 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 . 12 3.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 36 11.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 117 37.1 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 1 0 1 0 2 0 2 1 0 0 2 0 0 0 0 0 1 0 1 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 1 0 2 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 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 4 A K 0 0 143 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 74.3 56.2 44.7 -13.5 2 5 A L + 0 0 53 17,-0.2 17,-2.5 2,-0.0 2,-0.3 -0.622 360.0 172.4 -73.2 142.7 57.6 46.5 -10.4 3 6 A E E -A 18 0A 77 15,-0.3 2,-0.3 -2,-0.3 13,-0.0 -0.922 33.5-137.8-149.6 161.0 54.9 46.6 -7.7 4 7 A L E -A 17 0A 5 13,-2.2 13,-3.0 -2,-0.3 2,-0.4 -0.985 21.3-166.9-128.8 148.4 53.9 47.3 -4.1 5 8 A R E -A 16 0A 122 -2,-0.3 2,-0.4 11,-0.2 11,-0.2 -0.986 10.1-163.1-134.0 137.6 51.8 45.1 -1.9 6 9 A L E -A 15 0A 0 9,-2.2 9,-2.1 -2,-0.4 2,-0.3 -0.991 21.6-133.1-118.0 133.4 50.0 45.6 1.4 7 10 A K - 0 0 77 -2,-0.4 6,-0.1 7,-0.2 67,-0.0 -0.613 24.4-113.3 -80.6 141.2 48.8 42.6 3.3 8 11 A S > - 0 0 1 4,-0.7 3,-1.4 -2,-0.3 179,-0.1 -0.534 16.1-132.5 -66.4 138.7 45.2 42.6 4.7 9 12 A P T 3 S+ 0 0 0 0, 0.0 79,-0.2 0, 0.0 -1,-0.1 0.647 108.4 41.8 -67.5 -10.5 45.1 42.8 8.5 10 13 A V T 3 S- 0 0 44 176,-0.7 177,-0.1 175,-0.1 -2,-0.0 0.144 122.3 -98.5-124.0 17.5 42.6 39.9 8.3 11 14 A G S < S+ 0 0 59 -3,-1.4 175,-0.1 1,-0.2 -4,-0.0 0.569 72.0 143.6 82.2 11.5 44.1 37.8 5.6 12 15 A A - 0 0 39 174,-0.3 -4,-0.7 173,-0.2 -1,-0.2 -0.230 68.7 -65.9 -64.9 168.4 42.1 38.9 2.6 13 16 A E - 0 0 105 -6,-0.1 -1,-0.2 1,-0.1 -2,-0.0 -0.322 66.2-101.2 -56.4 143.0 44.0 39.1 -0.7 14 17 A P - 0 0 52 0, 0.0 2,-0.5 0, 0.0 -7,-0.2 -0.257 28.3-110.1 -68.4 152.0 46.7 41.8 -0.6 15 18 A A E -A 6 0A 9 -9,-2.1 -9,-2.2 171,-0.0 2,-0.5 -0.746 35.9-159.0 -78.6 127.8 46.3 45.2 -2.2 16 19 A V E -A 5 0A 64 -2,-0.5 -11,-0.2 -11,-0.2 -13,-0.0 -0.947 10.3-174.7-116.8 118.5 48.6 45.4 -5.3 17 20 A Y E -A 4 0A 5 -13,-3.0 -13,-2.2 -2,-0.5 4,-0.1 -0.945 20.6-131.8-113.0 126.1 49.7 48.7 -6.7 18 21 A P E -A 3 0A 67 0, 0.0 -15,-0.3 0, 0.0 -13,-0.0 -0.330 35.7 -93.0 -68.1 147.5 51.7 48.9 -9.9 19 22 A W S S+ 0 0 71 -17,-2.5 -17,-0.2 2,-0.1 2,-0.1 -0.777 110.2 48.3 -97.8 148.1 54.8 51.1 -10.0 20 23 A P S S- 0 0 98 0, 0.0 38,-0.1 0, 0.0 -1,-0.0 0.774 106.1-118.8 -67.4 154.7 55.0 53.8 -10.9 21 24 A L - 0 0 25 -2,-0.1 -2,-0.1 1,-0.1 10,-0.1 -0.339 26.7-113.7 -68.7 138.1 52.1 54.5 -8.6 22 25 A P - 0 0 52 0, 0.0 8,-3.1 0, 0.0 2,-0.4 -0.357 17.0-137.2 -70.5 146.9 48.9 55.9 -10.3 23 26 A V E -B 29 0B 94 6,-0.3 6,-0.3 1,-0.1 3,-0.1 -0.860 12.2-167.8 -94.9 139.7 47.6 59.4 -9.7 24 27 A Y E - 0 0 58 4,-3.3 2,-0.3 1,-0.4 5,-0.2 0.880 64.1 -33.3 -92.6 -53.4 43.8 59.5 -9.2 25 28 A D E > S-B 28 0B 45 3,-1.9 3,-1.2 88,-0.1 -1,-0.4 -0.886 81.6 -65.9-152.7-173.2 43.3 63.3 -9.4 26 29 A K T 3 S+ 0 0 99 -2,-0.3 3,-0.1 1,-0.3 -3,-0.0 0.579 134.0 31.9 -59.0 -9.4 45.0 66.6 -8.5 27 30 A H T 3 S+ 0 0 164 1,-0.2 2,-0.4 0, 0.0 -1,-0.3 0.468 113.7 58.4-124.7 -4.8 44.6 65.7 -4.8 28 31 A H E < +B 25 0B 60 -3,-1.2 -4,-3.3 4,-0.0 -3,-1.9 -0.989 50.2 161.7-139.4 129.9 44.9 61.9 -4.6 29 32 A D E >> -B 23 0B 35 -2,-0.4 4,-2.3 -6,-0.3 3,-0.7 -0.951 49.8-105.9-139.4 159.2 47.5 59.3 -5.6 30 33 A A H 3> S+ 0 0 0 -8,-3.1 4,-3.4 -2,-0.3 5,-0.2 0.847 114.0 64.2 -51.4 -34.6 48.3 55.7 -4.8 31 34 A A H 3> S+ 0 0 5 -9,-0.3 4,-2.4 1,-0.2 -1,-0.2 0.901 108.8 36.4 -59.6 -47.8 51.3 56.8 -2.7 32 35 A H H <> S+ 0 0 92 -3,-0.7 4,-3.3 2,-0.2 5,-0.3 0.850 112.4 58.3 -81.3 -29.9 49.2 58.6 -0.2 33 36 A E H X S+ 0 0 8 -4,-2.3 4,-3.3 2,-0.2 -2,-0.2 0.971 110.9 46.1 -55.9 -50.1 46.4 56.0 -0.4 34 37 A I H X S+ 0 0 0 -4,-3.4 4,-2.4 2,-0.2 -2,-0.2 0.955 114.0 46.1 -54.7 -55.8 49.2 53.5 0.7 35 38 A I H X S+ 0 0 51 -4,-2.4 4,-1.9 -5,-0.2 -1,-0.2 0.938 115.8 46.6 -54.9 -46.0 50.5 55.7 3.4 36 39 A E H X S+ 0 0 87 -4,-3.3 4,-2.6 1,-0.2 -2,-0.2 0.899 108.0 54.9 -68.9 -40.9 47.0 56.4 4.7 37 40 A T H X S+ 0 0 0 -4,-3.3 4,-3.1 -5,-0.3 5,-0.2 0.931 108.8 50.1 -52.7 -43.1 45.9 52.7 4.5 38 41 A I H X S+ 0 0 11 -4,-2.4 4,-2.1 1,-0.2 -2,-0.2 0.896 109.8 49.7 -65.3 -42.6 49.0 51.9 6.8 39 42 A R H X S+ 0 0 52 -4,-1.9 4,-0.8 -5,-0.2 -1,-0.2 0.898 113.7 46.1 -63.5 -40.3 48.1 54.6 9.2 40 43 A W H >X S+ 0 0 57 -4,-2.6 4,-2.1 2,-0.2 3,-1.2 0.949 109.2 51.8 -74.2 -41.6 44.5 53.4 9.4 41 44 A V H 3X S+ 0 0 0 -4,-3.1 4,-1.6 1,-0.3 -1,-0.2 0.932 107.2 56.5 -59.3 -36.4 45.3 49.7 9.8 42 45 A C H 3< S+ 0 0 13 -4,-2.1 7,-0.4 -5,-0.2 -1,-0.3 0.765 104.9 51.8 -61.9 -27.7 47.6 50.9 12.6 43 46 A E H << S+ 0 0 115 -3,-1.2 -1,-0.2 -4,-0.8 -2,-0.2 0.851 107.0 53.2 -76.9 -35.3 44.5 52.5 14.3 44 47 A E H < S+ 0 0 28 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.862 117.7 37.8 -57.7 -37.3 42.7 49.2 13.9 45 48 A I X - 0 0 9 -4,-1.6 4,-1.7 -5,-0.2 3,-0.4 -0.863 61.9-167.4-131.0 100.1 45.5 47.4 15.7 46 49 A P H > S+ 0 0 90 0, 0.0 4,-2.7 0, 0.0 3,-0.3 0.890 91.4 53.9 -54.5 -44.5 47.4 48.9 18.6 47 50 A D H > S+ 0 0 71 1,-0.3 4,-2.6 2,-0.2 5,-0.1 0.903 107.3 51.9 -58.5 -39.9 50.2 46.3 18.6 48 51 A L H 4 S+ 0 0 0 -3,-0.4 -1,-0.3 2,-0.2 -6,-0.1 0.851 109.2 50.7 -61.5 -35.8 50.8 47.0 14.9 49 52 A K H >< S+ 0 0 69 -4,-1.7 3,-1.7 -7,-0.4 -2,-0.2 0.922 108.6 51.2 -69.6 -45.6 51.0 50.7 15.8 50 53 A L H 3< S+ 0 0 140 -4,-2.7 -2,-0.2 1,-0.3 -1,-0.2 0.947 106.2 56.0 -50.8 -49.3 53.5 49.9 18.5 51 54 A A T 3< 0 0 56 -4,-2.6 -1,-0.3 -5,-0.2 -2,-0.2 0.394 360.0 360.0 -67.7 6.3 55.6 48.0 16.0 52 55 A M < 0 0 74 -3,-1.7 -3,-0.1 -5,-0.1 18,-0.0 -0.354 360.0 360.0-141.4 360.0 55.8 51.0 13.7 53 ! 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 54 62 A D 0 0 158 0, 0.0 2,-0.4 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -9.5 60.0 61.7 6.5 55 63 A Y - 0 0 101 8,-0.0 2,-0.9 11,-0.0 8,-0.1 -0.891 360.0-132.7-112.1 146.4 59.4 59.3 3.5 56 64 A D > - 0 0 86 -2,-0.4 3,-1.6 1,-0.1 7,-0.2 -0.811 15.6-168.6 -99.4 99.9 60.1 60.0 -0.1 57 65 A T T 3 S+ 0 0 29 -2,-0.9 -1,-0.1 1,-0.3 -26,-0.1 0.437 84.5 58.3 -72.3 2.3 56.9 58.9 -2.0 58 66 A K T 3 S+ 0 0 160 -38,-0.1 2,-0.6 -27,-0.0 -1,-0.3 0.544 86.5 83.7-109.1 -11.4 58.8 59.2 -5.3 59 67 A S <> - 0 0 42 -3,-1.6 4,-1.8 1,-0.2 5,-0.2 -0.842 65.4-154.6 -91.5 121.3 61.6 56.7 -4.5 60 68 A F H > S+ 0 0 58 -2,-0.6 4,-2.8 1,-0.2 5,-0.2 0.917 96.8 51.1 -56.7 -45.0 60.5 53.1 -5.2 61 69 A E H > S+ 0 0 63 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.886 109.4 49.9 -62.5 -40.2 63.0 51.8 -2.7 62 70 A S H > S+ 0 0 28 2,-0.2 4,-0.6 1,-0.2 -1,-0.2 0.845 113.6 45.8 -66.1 -35.3 61.8 54.2 0.0 63 71 A M H X S+ 0 0 0 -4,-1.8 4,-2.4 2,-0.2 3,-0.3 0.874 111.6 51.3 -77.7 -37.0 58.2 53.1 -0.6 64 72 A Q H X S+ 0 0 77 -4,-2.8 4,-3.2 1,-0.2 5,-0.3 0.877 105.1 56.5 -67.1 -37.4 59.1 49.4 -0.6 65 73 A R H X S+ 0 0 63 -4,-2.2 4,-1.1 -5,-0.2 -1,-0.2 0.786 109.7 47.5 -61.4 -27.3 60.9 49.9 2.7 66 74 A L H X S+ 0 0 12 -4,-0.6 4,-1.7 -3,-0.3 -2,-0.2 0.919 114.5 44.1 -79.6 -46.0 57.6 51.2 4.1 67 75 A C H X S+ 0 0 2 -4,-2.4 4,-3.9 2,-0.2 3,-0.3 0.955 114.4 48.4 -61.9 -50.5 55.5 48.4 2.6 68 76 A D H X S+ 0 0 67 -4,-3.2 4,-2.8 1,-0.3 5,-0.3 0.928 111.4 52.1 -54.6 -47.4 57.9 45.6 3.7 69 77 A K H X S+ 0 0 83 -4,-1.1 4,-1.5 -5,-0.3 -1,-0.3 0.860 113.5 42.4 -60.9 -36.0 58.0 47.1 7.1 70 78 A Y H X S+ 0 0 0 -4,-1.7 4,-2.5 -3,-0.3 -2,-0.2 0.929 114.0 51.6 -74.8 -47.4 54.2 47.1 7.3 71 79 A N H X S+ 0 0 23 -4,-3.9 4,-2.3 1,-0.2 -2,-0.2 0.836 110.9 47.5 -58.1 -35.0 53.9 43.7 5.9 72 80 A R H X S+ 0 0 150 -4,-2.8 4,-2.7 -5,-0.3 -1,-0.2 0.887 110.2 52.4 -73.0 -39.7 56.5 42.2 8.3 73 81 A A H X S+ 0 0 10 -4,-1.5 4,-1.5 -5,-0.3 -2,-0.2 0.895 110.0 49.9 -62.6 -36.3 54.7 43.9 11.2 74 82 A I H >X S+ 0 0 0 -4,-2.5 4,-2.9 2,-0.2 3,-0.6 0.972 109.8 49.0 -64.4 -55.4 51.4 42.3 9.9 75 83 A D H 3X S+ 0 0 68 -4,-2.3 4,-2.1 1,-0.3 -2,-0.2 0.937 111.7 51.2 -45.3 -49.0 53.0 38.8 9.7 76 84 A S H 3X S+ 0 0 71 -4,-2.7 4,-2.0 1,-0.2 -1,-0.3 0.838 109.7 48.9 -62.4 -33.9 54.3 39.4 13.1 77 85 A I H X S+ 0 0 124 -4,-2.1 4,-0.9 -5,-0.3 3,-0.9 0.965 105.3 54.9 -66.8 -52.9 51.6 35.2 14.6 80 88 A L H 3<>S+ 0 0 66 -4,-2.0 5,-0.5 1,-0.3 3,-0.4 0.830 106.7 52.7 -47.1 -36.6 50.8 37.0 17.9 81 89 A W H 3<5S+ 0 0 44 -4,-1.6 -1,-0.3 1,-0.2 -2,-0.2 0.806 98.4 61.2 -74.6 -33.0 47.1 36.0 17.4 82 90 A K H <<5S+ 0 0 161 -4,-1.1 -1,-0.2 -3,-0.9 -2,-0.2 0.708 106.0 62.3 -63.5 -20.1 47.9 32.3 16.9 83 91 A G T <5S- 0 0 50 -4,-0.9 -3,-0.1 -3,-0.4 -2,-0.0 0.184 122.3 -68.2 -81.7-149.2 49.2 32.6 20.4 84 92 A T T 5S+ 0 0 149 2,-0.1 -3,-0.1 0, 0.0 -4,-0.1 0.833 101.9 102.9 -81.7 -31.2 47.1 33.5 23.5 85 93 A T S - 0 0 67 -2,-0.1 4,-2.9 1,-0.1 5,-0.2 -0.272 35.7-104.3 -57.2 161.5 35.2 54.2 13.0 96 104 A T H > S+ 0 0 72 1,-0.2 4,-3.0 2,-0.2 5,-0.1 0.910 122.0 52.1 -55.8 -51.7 34.2 57.4 11.2 97 105 A G H > S+ 0 0 15 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.956 112.0 45.1 -46.1 -53.5 37.9 58.1 10.4 98 106 A L H > S+ 0 0 4 1,-0.2 4,-3.5 2,-0.2 5,-0.2 0.943 111.5 53.0 -63.6 -45.1 38.5 54.7 8.9 99 107 A L H X S+ 0 0 5 -4,-2.9 4,-2.9 2,-0.2 5,-0.3 0.915 105.0 54.9 -58.6 -40.7 35.3 54.9 7.0 100 108 A R H X S+ 0 0 101 -4,-3.0 4,-2.8 -5,-0.2 -1,-0.2 0.975 112.4 43.4 -54.5 -52.0 36.3 58.3 5.5 101 109 A H H X S+ 0 0 15 -4,-2.2 4,-3.3 1,-0.2 -2,-0.2 0.930 112.9 52.2 -57.9 -47.5 39.6 56.6 4.3 102 110 A I H X S+ 0 0 0 -4,-3.5 4,-2.8 1,-0.2 -1,-0.2 0.890 111.4 46.7 -58.2 -41.5 37.7 53.6 3.0 103 111 A L H X S+ 0 0 16 -4,-2.9 4,-2.8 -5,-0.2 -1,-0.2 0.941 112.5 49.1 -70.4 -43.2 35.3 55.7 1.1 104 112 A Q H X S+ 0 0 52 -4,-2.8 4,-2.7 -5,-0.3 -2,-0.2 0.958 112.1 50.5 -51.9 -51.3 38.1 57.9 -0.4 105 113 A Q H X S+ 0 0 0 -4,-3.3 4,-2.0 1,-0.2 -2,-0.2 0.946 111.4 46.6 -54.2 -53.6 39.9 54.7 -1.3 106 114 A V H X S+ 0 0 0 -4,-2.8 4,-0.9 1,-0.2 5,-0.3 0.891 110.9 52.5 -58.6 -44.6 36.8 53.2 -3.1 107 115 A Y H >X S+ 0 0 69 -4,-2.8 4,-2.8 1,-0.2 3,-1.8 0.981 108.3 51.7 -52.3 -55.8 36.1 56.4 -4.9 108 116 A N H 3< S+ 0 0 14 -4,-2.7 -2,-0.2 1,-0.3 -1,-0.2 0.864 113.8 42.5 -49.3 -46.3 39.7 56.5 -6.2 109 117 A H H 3< S+ 0 0 58 -4,-2.0 -1,-0.3 -5,-0.2 -2,-0.2 0.563 125.1 34.7 -81.0 -8.7 39.5 52.9 -7.5 110 118 A S H << S+ 0 0 5 -3,-1.8 2,-1.0 -4,-0.9 -2,-0.2 0.813 105.0 59.3-112.1 -53.7 36.0 53.3 -9.0 111 119 A V < + 0 0 17 -4,-2.8 -1,-0.2 -5,-0.3 33,-0.0 -0.731 55.9 171.3 -93.4 99.7 35.4 56.8 -10.4 112 120 A T + 0 0 114 -2,-1.0 -1,-0.1 1,-0.2 -4,-0.1 0.334 63.5 39.0 -93.0 4.9 38.0 57.3 -13.1 113 121 A D 0 0 118 1,-0.1 -1,-0.2 -88,-0.0 -88,-0.1 -0.706 360.0 360.0-164.8 96.8 36.8 60.6 -14.6 114 122 A P 0 0 132 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.658 360.0 360.0-100.9 360.0 35.3 63.7 -12.9 115 ! 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 0.0 116 138 A E > 0 0 89 0, 0.0 4,-0.5 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 35.1 33.1 64.7 0.4 117 139 A T H >> + 0 0 80 1,-0.2 4,-1.3 2,-0.2 3,-0.6 0.758 360.0 66.8 -61.4 -30.4 32.3 67.7 2.8 118 140 A S H >> S+ 0 0 59 1,-0.2 4,-3.8 2,-0.2 3,-0.6 0.920 86.9 67.7 -48.4 -46.6 29.0 65.9 2.6 119 141 A F H 3> S+ 0 0 9 1,-0.3 4,-1.9 2,-0.2 -1,-0.2 0.847 101.1 45.5 -44.7 -45.1 30.7 63.0 4.4 120 142 A D H - 0 0 57 -2,-0.3 3,-2.1 23,-0.1 26,-0.4 -0.797 49.8 -80.6-144.6 179.6 17.5 50.9 14.4 133 155 A D T 3 S+ 0 0 111 1,-0.3 25,-0.2 -2,-0.2 24,-0.0 0.630 121.8 68.2 -69.1 -9.0 16.8 47.6 12.7 134 156 A D T 3 S+ 0 0 136 23,-0.1 -1,-0.3 24,-0.1 2,-0.1 0.687 87.3 92.3 -72.4 -20.2 13.2 48.7 12.3 135 157 A D < - 0 0 19 -3,-2.1 23,-1.7 79,-0.1 24,-0.7 -0.409 55.9-159.7 -89.9 147.6 14.3 51.4 9.7 136 158 A L E -c 159 0C 58 22,-0.2 79,-2.0 21,-0.2 78,-0.8 -0.994 19.0-156.7-116.7 128.7 14.6 51.4 5.9 137 159 A F E -cd 160 215C 0 22,-2.1 24,-2.4 -2,-0.4 2,-0.3 -0.781 12.3-179.4-108.2 140.3 16.9 54.1 4.5 138 160 A V E -cd 161 216C 2 77,-1.9 79,-2.6 -2,-0.4 2,-0.6 -0.996 18.5-154.9-137.5 136.9 16.8 55.6 1.0 139 161 A D E -cd 162 217C 12 22,-1.9 24,-1.7 -2,-0.3 2,-0.8 -0.959 22.0-144.2-104.3 113.4 18.9 58.2 -0.6 140 162 A L E S+cd 163 218C 2 77,-2.2 79,-0.6 -2,-0.6 24,-0.1 -0.685 85.5 11.0 -86.3 113.9 16.9 59.8 -3.4 141 163 A G S S- 0 0 33 22,-1.8 23,-0.3 -2,-0.8 -1,-0.2 0.899 81.8-173.8 79.4 71.8 19.1 60.6 -6.4 142 164 A S > - 0 0 7 21,-2.3 3,-1.7 -3,-0.3 5,-0.4 0.488 6.0-162.9 -91.9 -3.4 22.1 58.7 -5.0 143 165 A G T 3 S- 0 0 21 1,-0.3 -1,-0.2 20,-0.2 30,-0.2 -0.377 73.4 -14.6 65.6-131.3 24.9 59.6 -7.5 144 166 A V T 3 S- 0 0 21 -2,-0.1 -1,-0.3 28,-0.1 32,-0.1 0.660 103.2-106.8 -81.6 -17.4 27.8 57.2 -7.3 145 167 A G S <> S+ 0 0 0 -3,-1.7 4,-2.3 -4,-0.1 3,-0.2 0.468 74.0 137.3 119.0 8.2 26.4 56.0 -4.0 146 168 A Q H > S+ 0 0 73 1,-0.3 4,-2.6 -4,-0.3 5,-0.1 0.820 72.9 49.3 -67.4 -32.2 28.7 57.4 -1.4 147 169 A V H > S+ 0 0 20 -5,-0.4 4,-2.8 2,-0.2 5,-0.3 0.900 110.1 50.0 -74.6 -40.6 26.1 58.4 1.0 148 170 A V H > S+ 0 0 0 -6,-0.2 4,-3.8 -3,-0.2 5,-0.2 0.963 113.3 48.8 -56.6 -46.7 24.3 55.0 1.0 149 171 A L H X S+ 0 0 0 -4,-2.3 4,-2.2 1,-0.2 -2,-0.2 0.944 111.9 47.4 -61.9 -49.4 27.7 53.4 1.6 150 172 A Q H X S+ 0 0 6 -4,-2.6 4,-1.3 -5,-0.2 -1,-0.2 0.947 117.6 41.8 -56.4 -48.1 28.6 55.7 4.4 151 173 A V H X S+ 0 0 0 -4,-2.8 4,-2.2 1,-0.2 3,-0.4 0.921 113.5 52.9 -71.2 -39.1 25.1 55.2 6.1 152 174 A A H < S+ 0 0 0 -4,-3.8 40,-3.2 -5,-0.3 -1,-0.2 0.824 110.2 48.9 -62.8 -33.4 25.1 51.5 5.4 153 175 A A H < S+ 0 0 0 -4,-2.2 -1,-0.3 38,-0.2 -2,-0.2 0.778 117.9 40.2 -71.6 -30.0 28.5 51.2 7.0 154 176 A A H < S+ 0 0 44 -4,-1.3 2,-0.2 -3,-0.4 -2,-0.2 0.743 107.8 54.4 -97.2 -24.4 27.5 53.2 10.1 155 177 A T < - 0 0 11 -4,-2.2 37,-0.2 -5,-0.1 -23,-0.1 -0.659 66.6-126.6-121.0 169.2 23.9 52.0 11.0 156 178 A N + 0 0 99 -25,-0.3 -24,-0.1 -2,-0.2 37,-0.1 0.243 53.2 145.8 -90.0 5.7 21.6 49.1 11.9 157 179 A C - 0 0 3 -6,-0.2 36,-0.3 1,-0.2 -24,-0.2 -0.180 57.4-125.5 -49.3 145.3 18.9 49.8 9.3 158 180 A K S S- 0 0 77 -23,-1.7 2,-0.3 -26,-0.4 35,-0.2 0.796 87.7 -5.0 -62.4 -35.1 17.5 46.7 7.9 159 181 A H E -c 136 0C 42 -24,-0.7 -22,-2.1 33,-0.1 2,-0.4 -0.971 60.5-152.2-160.3 152.6 18.3 47.8 4.4 160 182 A H E -ce 137 194C 0 33,-0.6 35,-1.9 -2,-0.3 2,-0.3 -0.996 16.7-174.2-127.2 130.9 19.6 50.8 2.6 161 183 A Y E -ce 138 195C 47 -24,-2.4 -22,-1.9 -2,-0.4 2,-0.4 -0.905 12.6-165.9-123.4 154.8 18.8 51.8 -1.0 162 184 A G E -ce 139 196C 0 33,-1.4 35,-3.1 -2,-0.3 2,-0.4 -0.988 8.4-162.3-132.4 132.3 20.0 54.4 -3.4 163 185 A V E +ce 140 197C 0 -24,-1.7 -21,-2.3 -2,-0.4 -22,-1.8 -0.935 14.0 169.8-112.6 137.3 18.1 55.2 -6.6 164 186 A E E - e 0 198C 30 33,-1.4 35,-1.8 -2,-0.4 -2,-0.0 -0.992 18.7-167.6-148.4 140.4 19.8 57.1 -9.4 165 187 A K + 0 0 144 -2,-0.3 -1,-0.1 33,-0.2 35,-0.1 0.762 56.5 93.9-106.6 -29.1 18.5 57.7 -12.9 166 188 A A S > S- 0 0 44 1,-0.1 4,-1.5 33,-0.0 5,-0.1 -0.390 70.6-132.0 -71.9 145.2 21.5 59.1 -15.0 167 189 A D H > S+ 0 0 124 2,-0.2 4,-1.5 3,-0.1 5,-0.1 0.923 99.0 50.3 -62.9 -48.5 23.5 56.5 -17.0 168 190 A I H >> S+ 0 0 114 2,-0.2 4,-2.1 1,-0.2 3,-1.5 0.978 113.1 40.1 -59.2 -67.4 27.0 57.7 -15.9 169 191 A P H 3> S+ 0 0 29 0, 0.0 4,-2.4 0, 0.0 -1,-0.2 0.840 113.3 56.6 -54.6 -37.1 26.6 57.9 -12.1 170 192 A A H 3X S+ 0 0 16 -4,-1.5 4,-1.0 2,-0.2 -2,-0.2 0.837 107.7 49.0 -62.1 -34.1 24.6 54.6 -12.1 171 193 A K H XX S+ 0 0 45 -3,-1.5 4,-1.4 -4,-1.5 3,-1.1 0.970 110.2 47.9 -72.8 -54.5 27.5 52.9 -13.8 172 194 A Y H >X S+ 0 0 52 -4,-2.1 4,-3.4 1,-0.3 3,-0.6 0.914 106.3 61.8 -46.1 -43.7 30.2 54.1 -11.5 173 195 A A H 3X S+ 0 0 9 -4,-2.4 4,-1.9 -5,-0.3 -1,-0.3 0.836 97.6 56.1 -56.1 -37.1 27.8 53.0 -8.7 174 196 A E H S+ 0 0 2 -4,-2.5 5,-2.4 -5,-0.2 4,-1.1 0.938 109.8 47.6 -67.4 -40.7 35.5 46.4 3.7 185 207 A K H ><5S+ 0 0 81 -4,-2.3 3,-1.0 -5,-0.2 -2,-0.2 0.959 107.8 58.1 -58.6 -45.4 36.5 42.7 3.6 186 208 A W H 3<5S+ 0 0 7 -4,-2.6 -176,-0.7 1,-0.3 -174,-0.3 0.876 113.3 37.0 -50.6 -47.2 40.1 43.9 3.4 187 209 A Y H 3<5S- 0 0 0 -4,-1.9 -1,-0.3 -179,-0.1 -2,-0.2 0.544 112.7-118.9 -85.6 -11.8 39.9 45.8 6.6 188 210 A G T <<5 + 0 0 6 -4,-1.1 -96,-0.4 -3,-1.0 2,-0.3 0.902 63.4 140.5 76.6 43.6 37.6 43.2 8.3 189 211 A K < - 0 0 34 -5,-2.4 2,-0.3 -6,-0.1 -1,-0.2 -0.862 44.2-128.2-120.6 153.0 34.7 45.5 8.9 190 212 A K - 0 0 35 -98,-3.9 2,-0.3 -2,-0.3 -99,-0.1 -0.685 17.2-170.9 -95.2 150.1 30.9 45.0 8.6 191 213 A H - 0 0 49 -2,-0.3 -38,-0.2 -98,-0.1 3,-0.1 -0.952 27.9-111.1-126.1 158.5 28.3 47.0 6.8 192 214 A A - 0 0 10 -40,-3.2 -34,-0.1 -2,-0.3 -33,-0.1 -0.299 54.0 -76.2 -73.5 168.2 24.5 46.7 6.9 193 215 A E + 0 0 74 -36,-0.3 -33,-0.6 -35,-0.2 2,-0.3 -0.352 60.5 165.7 -66.9 146.8 22.7 45.4 3.8 194 216 A Y E -e 160 0C 5 -35,-0.2 2,-0.3 -3,-0.1 -33,-0.2 -0.984 23.9-159.3-155.5 168.2 22.4 47.8 0.9 195 217 A T E -e 161 0C 48 -35,-1.9 -33,-1.4 -2,-0.3 2,-0.6 -0.979 9.3-152.5-149.4 129.4 21.5 47.9 -2.8 196 218 A L E -e 162 0C 37 -2,-0.3 2,-0.3 -35,-0.2 -33,-0.2 -0.960 27.9-175.2-107.9 121.6 22.3 50.6 -5.3 197 219 A E E -e 163 0C 56 -35,-3.1 -33,-1.4 -2,-0.6 2,-0.3 -0.801 29.4-125.7-121.2 148.0 19.7 50.7 -8.1 198 220 A R E +e 164 0C 95 -2,-0.3 2,-0.3 -35,-0.2 -33,-0.2 -0.726 59.2 114.3 -81.7 144.7 19.0 52.5 -11.4 199 221 A G - 0 0 23 -35,-1.8 2,-0.5 -2,-0.3 -33,-0.0 -0.931 66.2-103.5 171.8 166.8 15.6 54.1 -11.3 200 222 A D > - 0 0 69 -2,-0.3 3,-2.0 -35,-0.1 6,-0.3 -0.994 24.9-151.8-111.9 121.9 13.5 57.3 -11.3 201 223 A F T 3 S+ 0 0 22 -2,-0.5 9,-0.1 1,-0.3 -1,-0.1 0.526 94.8 63.0 -78.6 -3.0 12.3 58.0 -7.8 202 224 A L T 3 S+ 0 0 46 4,-0.1 -1,-0.3 32,-0.0 2,-0.0 0.361 85.3 111.6 -88.6 0.2 9.3 59.8 -9.2 203 225 A S S <> S- 0 0 41 -3,-2.0 4,-1.7 1,-0.1 3,-0.2 -0.292 83.0-109.4 -79.6 166.6 8.2 56.6 -10.9 204 226 A E H > S+ 0 0 81 1,-0.3 4,-1.0 2,-0.2 5,-0.1 0.829 118.2 54.3 -68.8 -35.4 5.1 54.5 -9.9 205 227 A E H > S+ 0 0 65 1,-0.2 4,-1.4 2,-0.2 -1,-0.3 0.918 108.8 50.2 -59.3 -41.8 7.2 51.7 -8.4 206 228 A W H > S+ 0 0 9 -6,-0.3 4,-3.7 1,-0.2 5,-0.3 0.805 95.7 71.9 -74.4 -25.5 8.9 54.3 -6.2 207 229 A R H X S+ 0 0 103 -4,-1.7 4,-2.0 1,-0.2 -1,-0.2 0.956 105.0 38.1 -47.1 -57.4 5.6 55.8 -5.1 208 230 A E H X S+ 0 0 127 -4,-1.0 4,-1.2 -3,-0.3 -1,-0.2 0.874 116.6 53.3 -66.7 -35.0 4.9 52.7 -2.9 209 231 A R H >X S+ 0 0 69 -4,-1.4 4,-0.7 2,-0.2 3,-0.7 0.945 107.5 48.7 -69.6 -46.6 8.5 52.4 -1.9 210 232 A I H >< S+ 0 0 0 -4,-3.7 3,-1.6 1,-0.2 -1,-0.2 0.945 107.2 58.6 -53.1 -46.5 8.8 56.0 -0.6 211 233 A A H 3< S+ 0 0 9 -4,-2.0 28,-0.6 -5,-0.3 -1,-0.2 0.799 110.5 42.1 -55.2 -32.0 5.6 55.3 1.3 212 234 A N H << S+ 0 0 95 -4,-1.2 2,-0.4 -3,-0.7 -1,-0.3 0.419 90.8 103.7 -99.5 2.0 7.2 52.4 3.2 213 235 A T << - 0 0 9 -3,-1.6 26,-0.2 -4,-0.7 3,-0.1 -0.682 50.2-165.5 -84.9 135.5 10.6 54.0 3.9 214 236 A S S S+ 0 0 27 -78,-0.8 29,-1.8 -2,-0.4 2,-0.4 0.627 76.9 35.7 -92.6 -18.8 11.2 55.3 7.4 215 237 A V E +df 137 243C 0 -79,-2.0 -77,-1.9 27,-0.2 2,-0.4 -0.922 65.3 179.2-143.1 115.0 14.3 57.5 6.6 216 238 A I E -df 138 244C 0 27,-2.2 29,-2.9 -2,-0.4 2,-0.4 -0.953 8.2-167.9-116.0 130.0 14.8 59.4 3.5 217 239 A F E +df 139 245C 12 -79,-2.6 -77,-2.2 -2,-0.4 2,-0.3 -0.954 15.8 170.4-109.2 138.9 17.8 61.6 2.7 218 240 A V E -df 140 246C 5 27,-2.4 2,-1.0 -2,-0.4 29,-0.7 -0.959 31.3-149.0-152.7 132.9 17.5 63.9 -0.2 219 241 A N + 0 0 112 -79,-0.6 3,-0.3 -2,-0.3 27,-0.1 -0.764 36.7 154.5-103.5 86.7 19.6 66.6 -1.4 220 242 A N > + 0 0 0 -2,-1.0 3,-2.3 1,-0.2 -1,-0.1 0.173 24.3 119.4-105.7 10.2 17.0 68.8 -3.0 221 243 A F T 3 S+ 0 0 143 1,-0.3 -1,-0.2 -3,-0.0 -2,-0.0 0.846 86.6 33.5 -49.1 -45.0 18.6 72.3 -2.8 222 244 A A T 3 S+ 0 0 94 -3,-0.3 -1,-0.3 2,-0.0 2,-0.1 0.190 90.6 125.2-101.8 14.0 18.6 72.8 -6.6 223 245 A F < - 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