==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=5-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 20-AUG-01 1JTF . COMPND 2 MOLECULE: VP39; . SOURCE 2 ORGANISM_SCIENTIFIC: VACCINIA VIRUS; . AUTHOR G.HU,A.OGURO,P.D.GERSHON,F.A.QUIOCHO . 292 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13725.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 200 68.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 25 8.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 21 7.2 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 . 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 . 20 6.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 30 10.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 91 31.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 1.7 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 0 0 1 1 0 1 0 0 2 0 1 0 1 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 1 1 0 3 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 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 . 1 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 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 1 A M 0 0 205 0, 0.0 2,-1.7 0, 0.0 240,-0.0 0.000 360.0 360.0 360.0 136.9 20.1 30.5 41.2 2 2 A D + 0 0 80 238,-0.1 240,-1.7 239,-0.0 2,-0.0 -0.391 360.0 166.8 -83.4 65.8 19.6 30.8 37.4 3 3 A V E +a 242 0A 65 -2,-1.7 2,-0.3 238,-0.2 240,-0.2 -0.175 8.0 151.7 -85.8 171.0 17.7 34.1 37.3 4 4 A V E -a 243 0A 44 238,-2.0 240,-1.1 2,-0.0 241,-0.8 -0.958 38.6-111.9 176.5 161.2 16.8 36.6 34.6 5 5 A S + 0 0 78 -2,-0.3 2,-0.4 238,-0.2 238,-0.1 -0.947 34.0 177.4-115.6 125.4 14.5 39.3 33.2 6 6 A L - 0 0 34 -2,-0.5 239,-0.1 1,-0.1 -2,-0.0 -0.967 27.3-151.6-128.1 145.1 12.4 38.5 30.1 7 7 A D S S- 0 0 136 -2,-0.4 -1,-0.1 1,-0.3 0, 0.0 0.918 80.9 -18.7 -77.4 -51.5 9.9 40.6 28.3 8 8 A K S S- 0 0 115 252,-0.0 -1,-0.3 0, 0.0 2,-0.2 -0.881 73.7-103.9-150.1 166.2 7.9 37.7 26.9 9 9 A P - 0 0 1 0, 0.0 2,-1.1 0, 0.0 3,-0.1 -0.580 42.6 -88.8 -96.2 170.7 8.4 34.0 26.4 10 10 A F + 0 0 20 -2,-0.2 3,-0.1 1,-0.2 6,-0.0 -0.684 47.0 174.1 -76.1 102.0 9.1 32.0 23.2 11 11 A M + 0 0 26 -2,-1.1 181,-2.7 1,-0.2 2,-0.3 0.806 64.4 31.6 -79.9 -30.6 5.6 31.3 22.1 12 12 A Y B >> S-C 191 0B 48 179,-0.2 3,-2.9 -3,-0.1 4,-0.6 -0.963 84.1-113.2-131.9 148.4 6.5 29.7 18.7 13 13 A F G >4 S+ 0 0 14 177,-2.1 3,-0.9 -2,-0.3 178,-0.1 0.764 113.2 64.5 -44.9 -36.1 9.5 27.7 17.5 14 14 A E G 34 S+ 0 0 113 1,-0.2 -1,-0.3 176,-0.2 -4,-0.0 0.575 94.4 61.0 -67.4 -14.8 10.5 30.6 15.2 15 15 A E G <4 S+ 0 0 81 -3,-2.9 2,-0.4 2,-0.0 -1,-0.2 0.741 70.8 110.6 -86.6 -23.9 11.2 32.9 18.2 16 16 A I << - 0 0 5 -3,-0.9 215,-0.1 -4,-0.6 214,-0.0 -0.343 50.4-168.6 -58.8 108.8 13.9 30.7 19.7 17 17 A D + 0 0 108 -2,-0.4 2,-0.3 213,-0.1 -1,-0.2 -0.110 57.2 40.2 -94.2 30.6 17.0 32.9 19.2 18 18 A N - 0 0 87 212,-0.0 2,-0.3 2,-0.0 215,-0.2 -0.962 60.1-149.6-171.2 155.9 19.8 30.5 20.0 19 19 A E - 0 0 90 -2,-0.3 2,-0.3 214,-0.1 211,-0.2 -0.888 3.0-159.8-132.5 166.5 20.9 26.9 19.6 20 20 A L - 0 0 50 209,-1.4 2,-0.4 -2,-0.3 212,-0.2 -0.995 33.4-104.4-144.9 143.8 23.0 24.3 21.4 21 21 A D - 0 0 114 -2,-0.3 2,-0.2 1,-0.1 208,-0.0 -0.572 51.2-110.4 -69.2 125.8 24.7 21.2 20.4 22 22 A Y - 0 0 89 -2,-0.4 -1,-0.1 1,-0.1 207,-0.1 -0.429 26.2-148.9 -62.5 129.0 22.5 18.4 21.7 23 23 A E > - 0 0 76 -2,-0.2 3,-2.7 1,-0.1 4,-0.2 -0.846 3.3-153.3-104.1 102.7 24.0 16.4 24.6 24 24 A P G > S+ 0 0 74 0, 0.0 3,-1.3 0, 0.0 4,-0.2 0.638 90.8 73.2 -45.3 -23.4 22.8 12.8 24.6 25 25 A E G > S+ 0 0 127 1,-0.3 3,-2.0 2,-0.2 4,-0.5 0.806 78.1 74.3 -65.4 -30.0 23.4 12.7 28.4 26 26 A S G X S+ 0 0 1 -3,-2.7 3,-0.6 1,-0.3 -1,-0.3 0.659 80.0 75.2 -56.8 -18.7 20.3 14.9 28.9 27 27 A A G < S+ 0 0 71 -3,-1.3 -1,-0.3 1,-0.2 -2,-0.2 0.816 92.3 52.8 -64.5 -33.1 18.2 11.8 28.1 28 28 A N G < S+ 0 0 159 -3,-2.0 -1,-0.2 -4,-0.2 -2,-0.2 0.684 89.5 104.8 -77.8 -15.5 19.1 10.4 31.5 29 29 A E S < S- 0 0 92 -3,-0.6 170,-0.2 -4,-0.5 169,-0.0 -0.409 91.1 -80.9 -73.9 141.3 17.9 13.7 33.2 30 30 A V - 0 0 114 -2,-0.2 -1,-0.1 1,-0.2 3,-0.1 -0.072 39.7-157.9 -43.6 119.4 14.5 13.8 35.1 31 31 A A + 0 0 53 1,-0.2 167,-2.0 167,-0.1 2,-0.3 0.567 68.2 23.8 -78.1 -21.8 11.8 14.2 32.4 32 32 A K - 0 0 105 165,-0.2 -1,-0.2 1,-0.1 164,-0.0 -0.989 41.6-178.1-152.9 146.9 9.1 15.6 34.7 33 33 A K S S+ 0 0 119 -2,-0.3 -1,-0.1 -3,-0.1 -2,-0.0 0.650 70.7 65.3-113.4 -22.6 8.7 17.5 37.9 34 34 A L S > S- 0 0 23 161,-0.1 3,-1.1 257,-0.0 4,-0.2 -0.722 81.5-112.7-109.5 148.1 4.8 17.8 38.2 35 35 A P T 3 S+ 0 0 51 0, 0.0 5,-0.1 0, 0.0 -2,-0.1 -0.548 104.2 9.0 -77.0 141.3 2.1 15.2 38.7 36 36 A Y T 3> S+ 0 0 114 -2,-0.2 4,-1.7 1,-0.1 3,-0.2 0.779 80.9 151.3 59.4 28.6 -0.2 14.8 35.6 37 37 A Q H <> + 0 0 5 -3,-1.1 4,-3.3 1,-0.2 3,-0.4 0.931 67.6 60.7 -56.2 -37.7 2.3 17.1 33.8 38 38 A G H > S+ 0 0 36 1,-0.3 4,-2.2 2,-0.2 -1,-0.2 0.897 107.0 42.2 -54.4 -48.6 1.1 15.3 30.6 39 39 A Q H > S+ 0 0 25 -3,-0.2 4,-2.0 2,-0.2 -1,-0.3 0.752 114.4 53.0 -73.0 -23.0 -2.5 16.4 31.1 40 40 A L H X S+ 0 0 0 -4,-1.7 4,-2.7 -3,-0.4 5,-0.3 0.968 110.3 46.1 -72.2 -52.2 -1.3 19.9 32.0 41 41 A K H X S+ 0 0 23 -4,-3.3 4,-1.5 154,-0.4 -2,-0.2 0.889 116.1 47.3 -52.7 -50.1 0.8 20.2 28.9 42 42 A L H X S+ 0 0 10 -4,-2.2 4,-2.5 -5,-0.3 -1,-0.2 0.912 113.3 47.0 -59.7 -48.0 -2.0 18.9 26.8 43 43 A L H X S+ 0 0 0 -4,-2.0 4,-1.9 2,-0.2 5,-0.2 0.918 110.0 48.5 -69.0 -45.0 -4.7 21.1 28.4 44 44 A L H X S+ 0 0 1 -4,-2.7 4,-1.5 1,-0.2 -1,-0.2 0.936 116.7 44.9 -62.3 -45.9 -3.0 24.5 28.3 45 45 A G H X S+ 0 0 4 -4,-1.5 4,-2.5 -5,-0.3 3,-0.3 0.931 114.5 47.1 -61.4 -48.3 -2.0 24.0 24.7 46 46 A E H X S+ 0 0 7 -4,-2.5 4,-1.4 1,-0.2 -1,-0.2 0.745 112.9 50.5 -68.8 -18.9 -5.5 22.7 23.7 47 47 A L H X S+ 0 0 0 -4,-1.9 4,-1.3 2,-0.2 -1,-0.2 0.739 110.3 50.4 -81.9 -35.2 -7.0 25.6 25.5 48 48 A F H X S+ 0 0 10 -4,-1.5 4,-1.3 -3,-0.3 -2,-0.2 0.930 111.4 46.8 -65.8 -55.8 -4.8 28.1 23.7 49 49 A F H X S+ 0 0 1 -4,-2.5 4,-1.6 1,-0.2 3,-0.4 0.922 114.8 45.5 -50.2 -58.0 -5.6 26.7 20.3 50 50 A L H X S+ 0 0 0 -4,-1.4 4,-2.3 1,-0.2 -1,-0.2 0.828 106.1 58.4 -59.9 -38.5 -9.4 26.6 20.8 51 51 A S H X S+ 0 0 0 -4,-1.3 4,-2.5 2,-0.2 -1,-0.2 0.845 104.4 54.4 -59.9 -38.3 -9.5 30.1 22.4 52 52 A K H X S+ 0 0 22 -4,-1.3 4,-2.5 -3,-0.4 5,-0.3 0.977 106.1 50.3 -56.1 -58.3 -8.0 31.3 19.1 53 53 A L H X>S+ 0 0 0 -4,-1.6 5,-2.5 1,-0.3 4,-0.9 0.895 111.3 48.9 -48.2 -45.1 -10.7 29.7 17.1 54 54 A Q H ><5S+ 0 0 52 -4,-2.3 3,-1.1 1,-0.3 -1,-0.3 0.924 109.9 52.0 -61.0 -43.9 -13.2 31.4 19.3 55 55 A R H 3<5S+ 0 0 106 -4,-2.5 -1,-0.3 1,-0.3 -2,-0.2 0.851 112.4 46.5 -61.3 -33.6 -11.4 34.6 18.8 56 56 A H H 3<5S- 0 0 107 -4,-2.5 -1,-0.3 -5,-0.1 -2,-0.2 0.537 115.1-114.0 -89.5 -3.7 -11.6 34.0 15.0 57 57 A G T <<5S+ 0 0 64 -3,-1.1 -3,-0.2 -4,-0.9 -2,-0.1 0.868 88.6 103.1 74.3 37.6 -15.3 33.1 15.0 58 58 A I < + 0 0 52 -5,-2.5 -4,-0.2 -6,-0.1 -5,-0.1 0.496 59.6 68.6-128.7 -0.7 -14.8 29.5 14.0 59 59 A L S > S+ 0 0 1 -6,-0.5 3,-2.5 -9,-0.1 -5,-0.1 0.930 73.9 90.9 -83.2 -52.0 -15.3 27.4 17.1 60 60 A D T 3 S+ 0 0 99 1,-0.3 29,-0.2 -7,-0.1 3,-0.1 -0.263 101.6 9.6 -53.4 120.8 -18.9 27.8 17.9 61 61 A G T 3 S+ 0 0 45 27,-2.9 71,-0.3 1,-0.3 -1,-0.3 0.243 99.7 127.3 94.5 -9.0 -21.0 25.1 16.2 62 62 A A < - 0 0 1 -3,-2.5 28,-1.5 26,-0.4 2,-0.5 -0.261 59.1-129.0 -75.9 161.9 -18.0 23.1 15.2 63 63 A T E -de 90 133B 0 69,-2.5 71,-2.6 26,-0.2 2,-0.6 -0.959 20.6-142.8-108.7 128.4 -17.5 19.4 15.9 64 64 A V E -de 91 134B 0 26,-4.1 28,-3.0 -2,-0.5 2,-0.6 -0.869 12.0-163.8 -94.2 121.3 -14.2 18.7 17.5 65 65 A V E -de 92 135B 0 69,-3.2 71,-2.6 -2,-0.6 2,-0.5 -0.948 7.4-171.9-105.4 115.8 -12.7 15.5 16.3 66 66 A Y E -de 93 136B 0 26,-2.9 28,-2.8 -2,-0.6 2,-0.5 -0.973 2.5-168.1-112.8 123.2 -9.9 14.4 18.7 67 67 A I E S+de 94 137B 0 69,-2.6 71,-2.4 -2,-0.5 28,-0.2 -0.973 75.5 25.8-114.4 128.3 -7.9 11.5 17.5 68 68 A G S S+ 0 0 0 26,-2.6 -1,-0.3 -2,-0.5 27,-0.2 0.933 79.9 144.4 83.2 55.8 -5.6 10.0 20.1 69 69 A S + 0 0 0 25,-0.8 6,-0.2 -3,-0.3 26,-0.1 0.703 20.2 143.7-100.7 -21.1 -7.7 11.2 23.0 70 70 A A S S+ 0 0 0 1,-0.3 29,-0.2 24,-0.1 2,-0.1 -0.469 73.8 9.5 -80.3 139.3 -7.4 8.4 25.7 71 71 A P S S+ 0 0 43 0, 0.0 29,-2.4 0, 0.0 -1,-0.3 -0.900 81.6 167.8 -66.2 -36.6 -7.3 8.8 28.6 72 72 A G > + 0 0 0 27,-0.2 4,-0.7 -2,-0.1 3,-0.4 0.853 10.6 154.8 63.1 39.6 -8.1 12.4 28.0 73 73 A T H >> S+ 0 0 37 1,-0.2 3,-1.1 2,-0.2 4,-0.5 0.937 74.8 52.3 -59.7 -46.1 -8.9 13.3 31.5 74 74 A H H 3> S+ 0 0 0 1,-0.2 4,-1.6 2,-0.2 3,-0.4 0.717 93.2 72.4 -60.9 -30.6 -8.0 16.9 30.7 75 75 A I H 3> S+ 0 0 0 -3,-0.4 4,-3.2 1,-0.2 -1,-0.2 0.845 89.7 62.8 -55.7 -33.4 -10.4 17.0 27.8 76 76 A R H S+ 0 0 0 -4,-1.8 5,-2.7 2,-0.2 4,-0.9 0.901 116.5 54.7 -79.3 -30.1 -16.4 26.1 26.5 83 83 A Y H <5S+ 0 0 113 -4,-1.7 -2,-0.2 -5,-0.3 3,-0.2 0.863 110.3 46.3 -66.7 -38.9 -19.7 24.6 27.5 84 84 A N H <5S+ 0 0 104 -4,-3.2 -1,-0.2 1,-0.2 -2,-0.2 0.750 107.8 56.3 -75.9 -30.3 -19.9 27.0 30.5 85 85 A L H <5S- 0 0 35 -4,-1.1 -1,-0.2 -5,-0.3 -2,-0.2 0.722 119.8-113.8 -72.2 -17.5 -18.8 30.0 28.3 86 86 A G T <5 + 0 0 49 -4,-0.9 2,-0.4 1,-0.4 -3,-0.2 0.605 67.3 144.9 94.8 9.2 -21.8 29.1 26.1 87 87 A V < - 0 0 14 -5,-2.7 2,-0.5 -6,-0.2 -1,-0.4 -0.701 47.3-134.0 -79.5 133.9 -19.9 28.0 23.1 88 88 A I + 0 0 110 -2,-0.4 -27,-2.9 -3,-0.1 -26,-0.4 -0.820 40.2 154.5 -87.9 132.9 -21.7 25.1 21.4 89 89 A I - 0 0 9 -2,-0.5 2,-0.4 -29,-0.2 -26,-0.2 -0.974 33.6-146.1-155.9 146.8 -19.3 22.4 20.4 90 90 A K E -d 63 0B 93 -28,-1.5 -26,-4.1 -2,-0.3 2,-0.4 -0.956 17.6-150.5-116.7 138.6 -19.7 18.6 19.8 91 91 A W E -df 64 109B 3 17,-3.0 19,-2.5 -2,-0.4 2,-0.5 -0.938 12.1-173.3-112.9 134.9 -16.7 16.5 20.8 92 92 A M E -df 65 110B 13 -28,-3.0 -26,-2.9 -2,-0.4 2,-0.6 -0.970 10.8-169.0-129.0 105.0 -15.9 13.2 19.1 93 93 A L E -df 66 111B 0 17,-2.8 19,-2.1 -2,-0.5 2,-0.4 -0.912 4.5-174.7-103.5 120.4 -13.1 11.4 20.8 94 94 A I E +df 67 112B 0 -28,-2.8 -26,-2.6 -2,-0.6 -25,-0.8 -0.938 18.3 133.7-121.2 131.8 -11.5 8.4 19.1 95 95 A D E - f 0 113B 0 17,-1.9 19,-1.2 -2,-0.4 20,-0.1 -0.967 54.0-127.0-164.2 156.5 -8.8 6.0 20.4 96 96 A G S S+ 0 0 21 -2,-0.3 19,-0.1 17,-0.2 2,-0.1 0.749 97.9 68.0 -77.6 -26.8 -8.3 2.3 20.5 97 97 A R S S- 0 0 127 17,-0.1 2,-0.2 1,-0.1 -2,-0.2 -0.287 97.1 -90.7 -85.2 171.5 -7.7 2.7 24.2 98 98 A H - 0 0 146 -2,-0.1 2,-0.2 15,-0.1 -1,-0.1 -0.609 33.2-124.9 -92.9 148.8 -10.4 3.6 26.8 99 99 A H - 0 0 20 -2,-0.2 -27,-0.2 -29,-0.2 -29,-0.1 -0.532 34.9 -90.5 -89.5 153.2 -11.3 7.1 28.0 100 100 A D > - 0 0 40 -29,-2.4 3,-2.3 -2,-0.2 4,-0.3 -0.423 39.3-124.7 -57.0 126.5 -11.4 8.4 31.5 101 101 A P G > S+ 0 0 90 0, 0.0 3,-2.2 0, 0.0 -1,-0.1 0.768 103.8 78.2 -49.5 -27.0 -15.0 7.7 32.8 102 102 A I G 3 S+ 0 0 66 1,-0.3 -2,-0.1 3,-0.0 -29,-0.0 0.619 88.4 61.8 -58.9 -12.1 -15.5 11.5 33.6 103 103 A L G X S+ 0 0 1 -3,-2.3 3,-0.7 2,-0.0 -1,-0.3 0.736 88.1 93.2 -82.4 -27.5 -16.0 11.8 29.9 104 104 A N T < S+ 0 0 85 -3,-2.2 3,-0.1 -4,-0.3 6,-0.1 -0.084 75.5 31.0 -62.0 169.8 -19.1 9.5 29.9 105 105 A G T 3 S+ 0 0 84 1,-0.2 2,-0.6 2,-0.1 -1,-0.2 0.605 81.0 121.5 56.9 12.2 -22.6 10.6 30.2 106 106 A L X - 0 0 29 -3,-0.7 3,-1.3 3,-0.3 -1,-0.2 -0.974 54.6-150.3-101.9 123.2 -22.2 14.0 28.5 107 107 A R T 3 S+ 0 0 233 -2,-0.6 -1,-0.1 1,-0.2 -2,-0.1 0.828 92.8 55.1 -61.6 -33.4 -24.5 14.2 25.5 108 108 A D T 3 S+ 0 0 36 -18,-0.1 -17,-3.0 -3,-0.1 2,-0.5 0.367 99.7 66.8 -82.1 -1.5 -22.2 16.6 23.6 109 109 A V E < -f 91 0B 10 -3,-1.3 2,-0.5 -19,-0.2 -3,-0.3 -0.997 64.0-168.4-123.8 127.3 -19.1 14.3 23.8 110 110 A T E -f 92 0B 80 -19,-2.5 -17,-2.8 -2,-0.5 2,-0.3 -0.991 8.4-153.4-115.9 126.5 -19.2 11.0 22.0 111 111 A L E -f 93 0B 49 -2,-0.5 2,-0.4 -19,-0.2 -17,-0.2 -0.660 9.7-169.7 -96.5 148.3 -16.5 8.5 22.8 112 112 A V E -f 94 0B 27 -19,-2.1 -17,-1.9 -2,-0.3 2,-0.9 -0.988 17.9-151.4-143.4 132.0 -15.4 6.0 20.2 113 113 A T E +f 95 0B 72 -2,-0.4 2,-0.3 -19,-0.2 -17,-0.2 -0.796 55.4 118.8-105.5 85.8 -13.1 3.0 20.8 114 114 A R - 0 0 98 -19,-1.2 2,-0.7 -2,-0.9 -17,-0.1 -0.958 62.4-134.6-155.0 126.2 -11.6 2.7 17.3 115 115 A F - 0 0 122 -2,-0.3 2,-0.2 -19,-0.1 5,-0.1 -0.754 42.3-129.0 -81.3 118.2 -8.1 2.9 15.9 116 116 A V - 0 0 14 -2,-0.7 2,-0.3 -22,-0.1 -20,-0.1 -0.473 30.4-179.7 -74.8 141.2 -8.7 5.1 13.0 117 117 A D > - 0 0 67 -2,-0.2 4,-2.4 1,-0.0 5,-0.2 -0.791 49.2 -91.1-124.5 177.3 -7.5 4.2 9.4 118 118 A E H > S+ 0 0 98 -2,-0.3 4,-1.0 1,-0.2 -1,-0.0 0.900 127.4 52.2 -57.8 -40.0 -7.9 6.1 6.2 119 119 A E H > S+ 0 0 148 2,-0.2 4,-1.2 1,-0.2 3,-0.5 0.897 107.8 50.4 -59.2 -46.8 -11.2 4.2 5.5 120 120 A Y H >> S+ 0 0 22 1,-0.3 4,-2.7 2,-0.2 3,-1.1 0.960 103.1 59.0 -59.6 -54.0 -12.7 5.0 8.9 121 121 A L H 3X S+ 0 0 0 -4,-2.4 4,-1.1 1,-0.3 -1,-0.3 0.818 103.9 54.9 -45.0 -34.2 -11.9 8.7 8.5 122 122 A R H 3X S+ 0 0 129 -4,-1.0 4,-1.7 -3,-0.5 -1,-0.3 0.857 109.2 44.3 -71.2 -37.5 -14.1 8.5 5.4 123 123 A S H < S+ 0 0 17 -4,-1.5 3,-1.8 -5,-0.2 -1,-0.2 0.902 91.7 151.5 -71.9 -40.4 -20.4 14.2 10.6 129 129 A H T 3< + 0 0 128 -4,-1.6 3,-0.1 1,-0.3 -3,-0.0 -0.027 56.1 18.2 -39.8 134.9 -21.6 15.9 7.5 130 130 A P T 3 S+ 0 0 94 0, 0.0 -1,-0.3 0, 0.0 2,-0.1 -0.813 97.9 104.6 -97.9 36.2 -22.5 18.7 7.2 131 131 A S S < S- 0 0 39 -3,-1.8 2,-0.2 1,-0.1 -69,-0.1 -0.485 72.8-114.3 -77.3 144.8 -20.9 19.9 10.5 132 132 A K - 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0 0 28 -2,-0.5 4,-2.1 -38,-0.2 3,-0.9 -0.799 41.6-102.9-114.0 162.9 14.6 18.1 5.5 221 226 A K H 3> S+ 0 0 95 1,-0.3 4,-1.9 -2,-0.3 5,-0.2 0.801 121.6 58.5 -58.3 -35.4 17.4 16.8 7.7 222 227 A S H 3> S+ 0 0 83 2,-0.2 4,-1.9 1,-0.2 -1,-0.3 0.903 108.5 48.3 -60.5 -38.2 19.1 20.2 7.8 223 228 A D H <> S+ 0 0 64 -3,-0.9 4,-3.0 1,-0.2 -2,-0.3 0.950 107.6 54.0 -63.0 -47.0 15.7 21.3 9.3 224 229 A A H X S+ 0 0 0 -4,-2.1 4,-1.6 1,-0.3 -1,-0.2 0.791 107.8 51.3 -56.9 -34.0 15.9 18.3 11.7 225 230 A V H X S+ 0 0 48 -4,-1.9 4,-2.4 -5,-0.2 -1,-0.3 0.894 110.9 47.2 -69.2 -45.8 19.3 19.6 12.8 226 231 A N H X S+ 0 0 59 -4,-1.9 4,-2.8 1,-0.2 5,-0.3 0.946 110.8 51.4 -60.9 -47.2 18.0 23.0 13.4 227 232 A Y H X S+ 0 0 23 -4,-3.0 4,-1.9 1,-0.2 -1,-0.2 0.839 111.1 49.9 -54.5 -44.6 14.9 21.7 15.4 228 233 A E H X S+ 0 0 39 -4,-1.6 4,-1.9 -5,-0.2 -1,-0.2 0.951 113.5 43.7 -61.4 -50.8 17.3 19.6 17.5 229 234 A K H X S+ 0 0 48 -4,-2.4 4,-1.6 2,-0.2 -209,-1.4 0.885 116.4 44.8 -67.2 -42.6 19.6 22.5 18.3 230 235 A K H X S+ 0 0 45 -4,-2.8 4,-2.3 -211,-0.2 -1,-0.2 0.915 115.1 48.1 -67.8 -42.0 16.9 25.1 19.0 231 236 A M H X S+ 0 0 7 -4,-1.9 4,-2.4 -5,-0.3 -2,-0.2 0.851 111.8 50.6 -67.3 -32.2 14.8 22.7 21.2 232 237 A Y H X S+ 0 0 8 -4,-1.9 4,-2.3 -212,-0.2 5,-0.4 0.836 110.5 47.9 -74.8 -36.9 17.9 21.7 23.2 233 238 A Y H X>S+ 0 0 37 -4,-1.6 4,-2.5 -215,-0.2 5,-1.5 0.916 114.3 47.8 -67.6 -44.9 18.9 25.3 23.9 234 239 A L H <>S+ 0 0 11 -4,-2.3 5,-2.7 3,-0.2 6,-0.4 0.975 117.2 41.8 -56.5 -56.1 15.3 26.1 24.9 235 240 A N H <5S+ 0 0 6 -4,-2.4 -2,-0.2 3,-0.2 -1,-0.2 0.878 124.4 34.9 -58.4 -50.3 15.0 23.0 27.2 236 241 A K H <5S+ 0 0 61 -4,-2.3 -3,-0.2 -5,-0.2 -2,-0.2 0.921 135.4 17.1 -72.5 -53.4 18.4 23.2 28.7 237 242 A I T <5S+ 0 0 51 -4,-2.5 3,-0.4 -5,-0.4 -3,-0.2 0.945 126.5 39.0 -88.9 -61.8 18.9 26.9 28.9 238 243 A V T > -a 4 0A 0 8,-2.3 3,-3.4 -2,-0.7 -238,-0.2 -0.488 20.2-177.3 -77.7 76.9 12.0 35.3 35.4 244 249 A V T 3 S+ 0 0 67 -2,-2.0 -239,-0.2 -240,-1.1 -1,-0.2 0.666 82.0 55.3 -54.9 -17.4 12.9 37.5 38.4 245 250 A N T 3 S+ 0 0 83 -241,-0.8 2,-0.8 6,-0.1 -1,-0.3 0.331 85.7 100.2 -95.1 6.9 10.9 40.4 36.9 246 251 A F < - 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0 0 64 -2,-0.2 2,-0.2 2,-0.0 -2,-0.1 -0.697 28.2-178.3 -96.8 141.3 -11.7 33.8 27.8 267 272 A C - 0 0 39 -2,-0.3 10,-0.0 2,-0.1 3,-0.0 -0.758 32.0-138.5-127.9 173.3 -13.7 33.8 31.0 268 273 A N S S+ 0 0 115 -2,-0.2 -1,-0.1 2,-0.1 2,-0.1 0.759 87.9 75.7 -94.7 -46.4 -17.2 34.8 32.3 269 274 A K S S- 0 0 128 1,-0.1 2,-0.4 8,-0.1 -2,-0.1 -0.438 83.3-133.7 -68.6 139.8 -16.0 36.3 35.6 270 275 A T - 0 0 129 -2,-0.1 -1,-0.1 -3,-0.0 -2,-0.1 -0.848 19.1-157.5 -99.6 139.1 -14.3 39.7 35.0 271 276 A F - 0 0 33 -2,-0.4 3,-0.1 1,-0.1 6,-0.0 -0.882 23.9-133.2-118.6 150.0 -11.0 40.5 36.6 272 277 A P S S+ 0 0 125 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.885 92.8 13.9 -66.0 -31.7 -9.4 43.8 37.5 273 278 A T S >> S- 0 0 76 1,-0.1 4,-1.4 -3,-0.0 3,-0.5 -0.957 73.5-115.7-139.9 162.5 -6.1 42.6 36.0 274 279 A T H 3> S+ 0 0 54 -2,-0.3 4,-2.3 1,-0.2 5,-0.2 0.722 114.3 65.8 -68.1 -24.3 -4.7 39.8 33.8 275 280 A K H 3> S+ 0 0 68 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.933 103.6 48.8 -60.5 -42.8 -2.7 38.6 36.8 276 281 A A H <> S+ 0 0 26 -3,-0.5 4,-1.9 2,-0.2 -2,-0.2 0.840 110.4 46.7 -64.4 -43.8 -6.1 37.8 38.4 277 282 A K H X S+ 0 0 42 -4,-1.4 4,-3.2 2,-0.2 -1,-0.2 0.934 115.9 46.3 -67.4 -40.3 -7.6 35.9 35.5 278 283 A V H X S+ 0 0 0 -4,-2.3 4,-2.8 2,-0.2 5,-0.3 0.927 111.8 49.6 -67.8 -45.8 -4.4 33.9 35.0 279 284 A L H X S+ 0 0 52 -4,-2.7 4,-2.4 -5,-0.2 5,-0.2 0.915 114.7 49.6 -57.8 -37.1 -4.1 33.1 38.8 280 285 A F H X S+ 0 0 65 -4,-1.9 4,-2.4 1,-0.2 -2,-0.2 0.941 112.8 41.0 -68.5 -52.0 -7.6 32.1 38.6 281 286 A L H X S+ 0 0 1 -4,-3.2 4,-2.3 2,-0.2 -1,-0.2 0.820 116.6 51.1 -69.6 -31.9 -7.5 29.8 35.5 282 287 A Q H X S+ 0 0 26 -4,-2.8 4,-3.4 2,-0.2 5,-0.2 0.963 113.0 44.4 -64.9 -57.7 -4.2 28.3 36.7 283 288 A Q H X S+ 0 0 93 -4,-2.4 4,-3.0 -5,-0.3 5,-0.2 0.896 114.0 51.8 -50.7 -48.7 -5.5 27.6 40.2 284 289 A S H X S+ 0 0 28 -4,-2.4 4,-2.5 -5,-0.2 -1,-0.2 0.951 114.7 40.9 -55.2 -49.6 -8.7 26.3 38.6 285 290 A I H X S+ 0 0 1 -4,-2.3 4,-2.3 2,-0.2 -2,-0.2 0.864 114.3 51.5 -71.1 -39.5 -6.8 23.9 36.2 286 291 A F H X>S+ 0 0 12 -4,-3.4 5,-2.6 2,-0.2 4,-1.3 0.983 112.2 47.4 -64.9 -44.8 -4.3 22.8 38.9 287 292 A R H ><5S+ 0 0 199 -4,-3.0 3,-0.6 1,-0.3 -2,-0.2 0.896 111.1 51.4 -60.4 -43.6 -7.2 22.0 41.2 288 293 A F H 3<5S+ 0 0 68 -4,-2.5 -1,-0.3 1,-0.2 -2,-0.2 0.866 113.9 43.7 -59.1 -41.6 -8.9 20.1 38.4 289 294 A L H 3<5S- 0 0 8 -4,-2.3 -1,-0.2 -3,-0.3 -2,-0.2 0.570 111.4-120.3 -85.0 -7.0 -5.8 18.1 37.7 290 295 A N T <<5 + 0 0 111 -4,-1.3 -3,-0.2 -3,-0.6 -2,-0.1 0.814 59.5 154.6 73.4 33.9 -5.2 17.5 41.4 291 296 A I < 0 0 7 -5,-2.6 -1,-0.3 -6,-0.2 -2,-0.1 -0.838 360.0 360.0 -97.7 123.5 -1.8 19.2 41.0 292 297 A P 0 0 144 0, 0.0 -1,-0.1 0, 0.0 -5,-0.0 -0.210 360.0 360.0 -48.8 360.0 -0.6 20.8 44.3 293 ! 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 0.0 294 400 A X 0 0 70 0, 0.0 -219,-0.2 0, 0.0 -220,-0.1 0.000 360.0 360.0 360.0 360.0 -4.5 12.0 24.9