==== 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/DNA 23-AUG-05 2ASL . COMPND 2 MOLECULE: 5'-D(*GP*GP*TP*TP*GP*GP*AP*TP*GP*GP*TP*AP*GP*(DOC . SOURCE 2 SYNTHETIC: YES; . AUTHOR O.RECHKOBLIT,L.MALININA,Y.CHENG,V.KURYAVYI,S.BROYDE,N.E.GEAC . 682 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 37645.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 492 72.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 18 2.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 118 17.3 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 4 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 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 . 42 6.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 59 8.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 236 34.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 0.9 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 1 0 1 2 1 2 5 2 0 0 0 0 1 0 4 3 0 1 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 PARALLEL BRIDGES PER LADDER . 4 0 1 1 4 2 2 2 2 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 4 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 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 G 0 0 82 0, 0.0 2,-0.4 0, 0.0 109,-0.0 0.000 360.0 360.0 360.0 158.7 26.1 -3.9 -6.8 2 2 A I - 0 0 17 113,-0.1 109,-1.5 115,-0.0 2,-0.4 -0.967 360.0-167.1-125.4 139.8 26.2 -1.2 -4.2 3 3 A V E -AB 110 145A 6 142,-2.8 142,-1.9 -2,-0.4 2,-0.5 -0.974 5.5-159.0-130.8 137.1 23.3 0.3 -2.1 4 4 A L E -AB 109 144A 0 105,-2.7 105,-2.9 -2,-0.4 2,-0.5 -0.966 8.0-165.5-122.5 122.7 23.2 3.4 0.1 5 5 A F E -AB 108 143A 0 138,-2.9 138,-2.2 -2,-0.5 2,-0.5 -0.912 1.7-162.8-115.4 124.8 20.6 3.8 2.8 6 6 A V E -AB 107 142A 0 101,-2.8 101,-2.2 -2,-0.5 2,-0.4 -0.920 7.6-177.6-107.4 130.5 19.8 7.1 4.5 7 7 A D E -AB 106 141A 12 134,-2.2 134,-3.2 -2,-0.5 2,-0.5 -0.999 22.6-136.5-127.0 127.7 17.9 7.2 7.8 8 8 A F E > - B 0 140A 0 97,-2.2 3,-0.9 -2,-0.4 132,-0.2 -0.731 31.8-116.2 -86.2 127.6 17.0 10.5 9.4 9 9 A D T 3 S- 0 0 4 130,-1.2 5,-0.3 -2,-0.5 130,-0.1 -0.405 80.1 -23.5 -73.9 139.7 17.8 10.3 13.1 10 10 A Y T 3> S- 0 0 37 -2,-0.1 4,-2.4 3,-0.1 3,-0.4 0.826 87.8-171.8 26.8 57.3 14.9 10.6 15.7 11 11 A F H <> + 0 0 5 -3,-0.9 4,-2.4 1,-0.3 5,-0.2 0.829 69.0 44.6 -54.9 -57.3 13.3 12.4 12.8 12 12 A Y H > S+ 0 0 36 1,-0.2 4,-1.7 2,-0.2 -1,-0.3 0.885 117.9 48.1 -55.4 -41.9 10.0 13.8 14.2 13 13 A A H > S+ 0 0 0 -3,-0.4 4,-1.2 1,-0.2 -1,-0.2 0.868 109.4 53.2 -66.9 -35.9 12.0 15.0 17.2 14 14 A Q H X S+ 0 0 10 -4,-2.4 4,-1.7 -5,-0.3 -2,-0.2 0.894 108.7 48.6 -65.4 -39.9 14.7 16.5 15.0 15 15 A V H X S+ 0 0 0 -4,-2.4 4,-2.2 1,-0.2 -1,-0.2 0.889 106.5 56.4 -68.8 -38.6 12.2 18.5 13.0 16 16 A E H X S+ 0 0 7 -4,-1.7 4,-0.5 -5,-0.2 -1,-0.2 0.841 109.9 47.5 -59.4 -32.4 10.6 19.8 16.2 17 17 A E H < S+ 0 0 23 -4,-1.2 6,-0.3 2,-0.2 -1,-0.2 0.802 106.3 54.4 -79.5 -34.8 14.0 21.1 17.2 18 18 A V H < S+ 0 0 60 -4,-1.7 -2,-0.2 1,-0.2 -1,-0.2 0.905 112.9 46.2 -60.1 -40.4 14.7 22.7 13.8 19 19 A L H < S+ 0 0 85 -4,-2.2 -2,-0.2 1,-0.3 -1,-0.2 0.642 131.1 21.2 -78.2 -17.0 11.4 24.6 14.4 20 20 A N >< - 0 0 75 -4,-0.5 3,-1.6 -5,-0.2 -1,-0.3 -0.610 67.5-172.6-151.0 84.3 12.4 25.4 18.0 21 21 A P G > S+ 0 0 93 0, 0.0 3,-1.3 0, 0.0 -4,-0.1 0.510 75.0 82.9 -59.0 -6.8 16.2 25.3 18.6 22 22 A S G 3 S+ 0 0 67 1,-0.2 -5,-0.1 3,-0.0 4,-0.0 0.427 77.2 72.0 -76.3 0.3 15.6 25.8 22.3 23 23 A L G X + 0 0 7 -3,-1.6 3,-2.2 -6,-0.3 -1,-0.2 0.537 66.9 124.7 -88.1 -9.9 15.0 22.0 22.5 24 24 A K T < S+ 0 0 139 -3,-1.3 0, 0.0 1,-0.3 0, 0.0 -0.294 82.7 9.5 -52.8 129.1 18.7 21.3 21.9 25 25 A G T 3 S+ 0 0 56 1,-0.2 -1,-0.3 3,-0.0 -2,-0.1 0.173 106.7 110.9 85.2 -17.3 19.9 19.1 24.7 26 26 A K S < S- 0 0 98 -3,-2.2 2,-0.5 1,-0.1 23,-0.3 -0.595 78.7-103.2 -90.0 150.4 16.4 18.4 26.2 27 27 A P - 0 0 33 0, 0.0 45,-2.3 0, 0.0 2,-0.5 -0.635 42.1-167.2 -68.2 117.3 14.5 15.1 26.2 28 28 A V E -e 72 0B 0 -2,-0.5 19,-2.3 43,-0.2 2,-0.5 -0.959 8.8-172.8-114.8 128.7 11.9 15.5 23.4 29 29 A V E -eF 73 46B 0 43,-2.5 45,-1.8 -2,-0.5 2,-0.4 -0.937 11.5-153.2-127.3 101.3 9.0 13.1 23.1 30 30 A V E -eF 74 45B 0 15,-2.3 14,-2.6 -2,-0.5 15,-1.6 -0.682 25.9-167.1 -77.2 129.9 6.7 13.3 20.1 31 31 A C E -eF 75 43B 0 43,-2.8 45,-1.7 -2,-0.4 2,-0.7 -0.825 30.1-138.1-129.0 153.2 3.3 12.0 21.0 32 32 A V E - F 0 42B 66 10,-2.8 10,-1.7 -2,-0.3 2,-0.4 -0.931 28.0-157.5-111.9 101.8 -0.0 10.8 19.4 33 33 A F E - F 0 41B 81 -2,-0.7 8,-0.3 8,-0.2 5,-0.0 -0.712 8.7-161.7 -86.9 128.2 -2.8 12.2 21.7 34 34 A S - 0 0 36 6,-2.5 7,-0.1 -2,-0.4 216,-0.1 0.678 33.2-123.1 -82.0 -21.7 -6.1 10.4 21.5 35 35 A G S S+ 0 0 41 5,-0.6 6,-0.1 2,-0.3 3,-0.1 0.434 81.2 111.4 88.6 2.0 -8.3 13.1 23.0 36 36 A R S S- 0 0 45 4,-0.3 2,-0.2 1,-0.1 5,-0.1 0.940 86.7 -15.6 -70.7 -54.2 -9.7 10.8 25.7 37 37 A F S > S- 0 0 157 3,-0.1 3,-1.0 0, 0.0 2,-0.4 -0.744 92.8 -63.2-134.6 179.7 -8.0 12.5 28.8 38 38 A E T 3 S+ 0 0 169 -2,-0.2 -2,-0.0 1,-0.2 0, 0.0 -0.631 124.4 0.7 -62.3 128.4 -5.3 14.9 29.5 39 39 A D T 3 S+ 0 0 48 -2,-0.4 2,-0.6 1,-0.2 -1,-0.2 0.715 90.5 148.8 68.6 20.8 -2.1 13.2 28.2 40 40 A S < + 0 0 21 -3,-1.0 -6,-2.5 21,-0.1 -5,-0.6 -0.820 35.4 66.5 -91.6 124.4 -3.7 10.0 26.9 41 41 A G E S-F 33 0B 26 -2,-0.6 20,-1.5 -8,-0.3 2,-0.3 -0.983 74.3 -73.2 167.5-153.8 -1.9 8.5 23.9 42 42 A A E -FG 32 60B 39 -10,-1.7 -10,-2.8 -2,-0.3 2,-0.4 -0.980 39.1-105.5-139.8 149.3 1.2 6.8 22.7 43 43 A V E -F 31 0B 5 16,-2.2 15,-2.2 -2,-0.3 -12,-0.3 -0.609 24.7-171.9 -75.8 127.3 4.8 7.9 21.9 44 44 A A E - 0 0 29 -14,-2.6 2,-0.3 1,-0.4 -13,-0.2 0.822 69.0 -30.1 -82.6 -38.3 5.4 8.2 18.2 45 45 A T E -F 30 0B 22 -15,-1.6 -15,-2.3 11,-0.1 -1,-0.4 -0.907 56.4-156.4-176.4 150.0 9.1 8.8 18.6 46 46 A A E -F 29 0B 1 -2,-0.3 -17,-0.2 -17,-0.2 11,-0.1 -0.945 24.2-110.1-136.9 156.7 11.6 10.3 21.0 47 47 A N >> - 0 0 2 -19,-2.3 4,-2.0 -2,-0.3 3,-1.8 -0.327 42.9 -92.6 -85.2 170.9 15.1 11.7 20.7 48 48 A Y H 3> S+ 0 0 55 1,-0.3 4,-1.4 2,-0.2 -1,-0.1 0.740 121.9 59.2 -60.5 -26.0 18.2 10.1 22.1 49 49 A E H 34 S+ 0 0 78 -23,-0.3 -1,-0.3 2,-0.2 4,-0.1 0.711 112.0 41.1 -73.8 -22.8 18.1 12.0 25.5 50 50 A A H X4>S+ 0 0 0 -3,-1.8 5,-1.7 -22,-0.2 3,-1.5 0.811 109.6 56.3 -89.2 -39.3 14.6 10.5 26.2 51 51 A R H ><5S+ 0 0 81 -4,-2.0 3,-1.6 1,-0.3 -2,-0.2 0.815 92.1 75.4 -60.8 -33.3 15.4 7.0 24.9 52 52 A K T 3<5S+ 0 0 144 -4,-1.4 -1,-0.3 1,-0.3 -2,-0.1 0.781 103.1 37.4 -41.0 -37.0 18.3 7.0 27.5 53 53 A F T < 5S- 0 0 132 -3,-1.5 -1,-0.3 -4,-0.1 -2,-0.2 0.327 130.3 -84.8-110.6 6.0 15.7 6.5 30.2 54 54 A G T < 5S+ 0 0 34 -3,-1.6 2,-1.2 -4,-0.2 -3,-0.2 0.394 80.1 138.0 111.5 0.8 13.2 4.1 28.5 55 55 A V < + 0 0 0 -5,-1.7 2,-0.3 -8,-0.1 -1,-0.2 -0.665 30.4 150.7 -90.2 97.1 11.0 6.6 26.6 56 56 A K > - 0 0 118 -2,-1.2 3,-1.1 -3,-0.1 -13,-0.3 -0.812 53.1 -77.9-129.3 163.0 10.5 4.9 23.2 57 57 A A T 3 S+ 0 0 58 -2,-0.3 -13,-0.2 1,-0.2 2,-0.1 -0.342 113.2 33.7 -59.7 137.7 7.9 4.7 20.4 58 58 A G T 3 S+ 0 0 59 -15,-2.2 -1,-0.2 1,-0.3 -14,-0.1 -0.395 88.6 107.8 110.9 -52.8 5.1 2.4 21.4 59 59 A I S < S- 0 0 14 -3,-1.1 -16,-2.2 -2,-0.1 -1,-0.3 -0.196 77.3 -97.2 -64.1 150.3 4.9 2.9 25.2 60 60 A P B > -G 42 0B 75 0, 0.0 4,-1.7 0, 0.0 3,-0.4 -0.286 27.0-119.7 -61.6 150.8 1.9 4.9 26.7 61 61 A I H > S+ 0 0 1 -20,-1.5 4,-2.1 1,-0.2 5,-0.2 0.812 113.9 57.9 -60.1 -32.1 2.3 8.6 27.4 62 62 A V H > S+ 0 0 83 -21,-0.3 4,-1.2 2,-0.2 -1,-0.2 0.856 102.9 52.8 -73.0 -32.8 1.6 7.9 31.1 63 63 A E H > S+ 0 0 86 -3,-0.4 4,-1.4 1,-0.2 3,-0.4 0.945 111.3 48.2 -59.4 -45.4 4.5 5.5 31.2 64 64 A A H X S+ 0 0 0 -4,-1.7 4,-3.6 1,-0.2 -2,-0.2 0.850 107.6 52.9 -64.9 -37.8 6.7 8.2 29.8 65 65 A K H < S+ 0 0 58 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.747 106.6 54.8 -76.0 -20.8 5.6 10.9 32.2 66 66 A K H < S+ 0 0 164 -4,-1.2 -1,-0.2 -3,-0.4 -2,-0.2 0.841 116.7 37.1 -71.0 -38.3 6.4 8.6 35.1 67 67 A I H < S+ 0 0 56 -4,-1.4 -2,-0.2 1,-0.2 -3,-0.2 0.932 136.6 14.9 -80.0 -48.3 10.0 8.3 33.7 68 68 A L >< + 0 0 28 -4,-3.6 3,-1.3 1,-0.1 -1,-0.2 -0.662 62.6 164.7-131.8 76.3 10.5 11.8 32.5 69 69 A P T 3 S+ 0 0 85 0, 0.0 -1,-0.1 0, 0.0 -4,-0.1 0.804 81.4 49.9 -59.9 -32.1 7.9 14.3 33.9 70 70 A N T 3 S+ 0 0 156 2,-0.1 2,-0.1 -5,-0.0 -5,-0.1 0.287 85.5 115.0 -92.8 7.1 10.0 17.3 32.9 71 71 A A S < S- 0 0 11 -3,-1.3 2,-0.7 -7,-0.1 -43,-0.2 -0.396 78.5-103.4 -70.7 153.0 10.6 16.2 29.3 72 72 A V E -e 28 0B 40 -45,-2.3 -43,-2.5 -49,-0.1 2,-0.7 -0.750 36.2-162.7 -80.8 115.2 9.1 18.3 26.5 73 73 A Y E -e 29 0B 32 -2,-0.7 -43,-0.2 -45,-0.2 -45,-0.1 -0.901 11.8-175.2-103.2 110.5 6.0 16.4 25.2 74 74 A L E -e 30 0B 34 -45,-1.8 -43,-2.8 -2,-0.7 2,-0.1 -0.822 25.7-116.6-109.1 146.2 4.9 17.6 21.8 75 75 A P E -e 31 0B 73 0, 0.0 2,-0.2 0, 0.0 -43,-0.2 -0.488 42.8 -98.9 -73.8 152.2 1.9 16.7 19.7 76 76 A M - 0 0 56 -45,-1.7 2,-0.3 -2,-0.1 3,-0.1 -0.512 30.1-169.2 -78.3 137.6 2.7 15.0 16.4 77 77 A R >> + 0 0 99 -2,-0.2 4,-1.9 1,-0.1 3,-1.0 -0.669 14.1 168.2-126.4 73.2 2.6 17.1 13.3 78 78 A K H 3> S+ 0 0 106 -2,-0.3 4,-2.5 1,-0.3 5,-0.2 0.822 75.4 58.8 -60.3 -36.5 2.8 14.5 10.5 79 79 A E H 3> S+ 0 0 129 1,-0.2 4,-1.7 2,-0.2 -1,-0.3 0.853 108.3 46.6 -61.2 -36.2 2.0 17.1 7.8 80 80 A V H <> S+ 0 0 39 -3,-1.0 4,-2.0 2,-0.2 -2,-0.2 0.912 113.6 46.1 -73.7 -44.6 5.1 19.1 8.8 81 81 A Y H X S+ 0 0 0 -4,-1.9 4,-3.1 2,-0.2 -2,-0.2 0.864 109.9 56.5 -66.7 -34.1 7.4 16.1 8.9 82 82 A Q H X S+ 0 0 85 -4,-2.5 4,-2.4 -5,-0.2 -1,-0.2 0.937 107.3 47.2 -64.7 -47.0 6.0 14.9 5.6 83 83 A Q H X S+ 0 0 128 -4,-1.7 4,-1.6 2,-0.2 -1,-0.2 0.913 114.2 47.4 -57.5 -45.6 6.9 18.2 3.9 84 84 A V H >X S+ 0 0 12 -4,-2.0 4,-1.9 1,-0.2 3,-0.5 0.960 111.3 51.1 -62.2 -51.6 10.4 18.1 5.4 85 85 A S H 3X S+ 0 0 2 -4,-3.1 4,-2.5 1,-0.2 -1,-0.2 0.886 108.4 52.3 -49.1 -46.9 10.9 14.5 4.4 86 86 A S H 3X S+ 0 0 54 -4,-2.4 4,-1.4 1,-0.2 -1,-0.2 0.815 107.4 51.3 -63.9 -35.5 9.9 15.3 0.8 87 87 A R H < S+ 0 0 30 -4,-1.1 3,-0.8 1,-0.2 4,-0.3 0.866 106.4 57.0 -61.5 -37.3 18.0 16.3 -2.5 92 92 A L H >X S+ 0 0 0 -4,-1.6 3,-1.5 1,-0.2 4,-0.9 0.841 97.3 61.3 -66.3 -31.5 18.6 12.5 -2.6 93 93 A R H 3< S+ 0 0 115 -4,-1.4 -1,-0.2 1,-0.3 -2,-0.2 0.731 90.5 69.1 -67.7 -22.6 17.4 12.3 -6.2 94 94 A E T << S+ 0 0 161 -3,-0.8 -1,-0.3 -4,-0.6 -2,-0.2 0.695 105.3 42.1 -65.1 -20.5 20.3 14.6 -7.2 95 95 A Y T <4 S+ 0 0 28 -3,-1.5 2,-0.3 -4,-0.3 -2,-0.2 0.662 127.6 13.0-101.5 -22.5 22.7 11.7 -6.3 96 96 A S < - 0 0 3 -4,-0.9 -1,-0.3 1,-0.1 15,-0.1 -0.929 43.9-156.5-159.4 135.7 20.7 8.9 -7.9 97 97 A E S S+ 0 0 160 -2,-0.3 2,-0.8 -3,-0.1 -1,-0.1 0.868 89.8 72.9 -70.1 -39.6 17.7 8.3 -10.3 98 98 A K + 0 0 100 12,-0.4 12,-1.8 140,-0.0 2,-0.3 -0.702 69.5 148.1 -83.4 108.6 17.2 4.8 -8.7 99 99 A I E -C 109 0A 19 -2,-0.8 2,-0.4 10,-0.2 10,-0.2 -0.949 34.9-154.6-140.5 155.3 15.7 5.5 -5.3 100 100 A E E -C 108 0A 2 8,-2.0 8,-2.2 -2,-0.3 2,-1.0 -0.967 9.6-150.8-136.9 117.3 13.2 3.8 -2.9 101 101 A I E +C 107 0A 60 -2,-0.4 139,-0.4 6,-0.2 6,-0.2 -0.799 21.1 173.8 -83.7 101.5 11.2 5.7 -0.3 102 102 A A - 0 0 18 4,-1.6 2,-0.2 -2,-1.0 -1,-0.2 0.834 63.4 -26.4 -77.6 -37.2 10.8 3.0 2.3 103 103 A S S S- 0 0 38 3,-1.7 3,-0.4 -3,-0.2 -1,-0.2 -0.867 80.7 -69.7-157.6-166.4 9.2 5.4 4.8 104 104 A I S S+ 0 0 25 -2,-0.2 3,-0.0 1,-0.2 -3,-0.0 0.733 133.3 22.9 -70.9 -21.6 8.8 9.0 5.9 105 105 A D S S+ 0 0 34 1,-0.1 -97,-2.2 -97,-0.0 2,-0.4 0.228 113.3 75.4-126.6 14.0 12.4 8.9 7.2 106 106 A E E +A 7 0A 37 -3,-0.4 -3,-1.7 -99,-0.2 -4,-1.6 -0.988 46.1 167.0-133.6 129.5 14.1 6.1 5.2 107 107 A A E -AC 6 101A 0 -101,-2.2 -101,-2.8 -2,-0.4 2,-0.4 -1.000 20.1-149.9-141.6 144.8 15.4 5.9 1.6 108 108 A Y E -AC 5 100A 12 -8,-2.2 -8,-2.0 -2,-0.3 2,-0.5 -0.928 11.4-163.1-107.8 135.3 17.6 3.5 -0.4 109 109 A L E -AC 4 99A 0 -105,-2.9 -105,-2.7 -2,-0.4 2,-0.7 -0.977 14.4-142.9-117.5 122.7 19.7 4.7 -3.3 110 110 A D E +A 3 0A 34 -12,-1.8 -12,-0.4 -2,-0.5 -107,-0.2 -0.792 24.7 174.8 -78.7 117.4 21.1 2.3 -5.9 111 111 A I >> + 0 0 0 -109,-1.5 4,-1.4 -2,-0.7 3,-0.7 -0.161 36.2 119.9-119.4 39.1 24.5 3.9 -6.6 112 112 A S T 34 S+ 0 0 43 1,-0.2 -1,-0.1 -110,-0.2 -109,-0.1 0.747 83.8 39.5 -75.9 -28.8 26.0 1.2 -8.9 113 113 A D T 34 S+ 0 0 123 -3,-0.2 -1,-0.2 1,-0.1 3,-0.1 0.127 115.2 55.7-104.1 14.8 26.4 3.6 -11.9 114 114 A K T <4 S+ 0 0 86 -3,-0.7 2,-0.3 1,-0.3 -2,-0.2 0.624 113.5 24.3-114.7 -27.5 27.5 6.4 -9.6 115 115 A V < - 0 0 14 -4,-1.4 -1,-0.3 1,-0.1 -113,-0.1 -0.995 54.4-152.7-143.3 147.7 30.5 4.8 -7.8 116 116 A R S S+ 0 0 204 -2,-0.3 2,-0.2 -3,-0.1 -1,-0.1 0.905 76.3 9.8 -84.0 -47.9 33.0 2.0 -8.5 117 117 A D S > S- 0 0 75 -115,-0.0 4,-1.5 1,-0.0 3,-0.4 -0.756 81.7 -93.8-131.2 174.8 34.0 0.8 -5.0 118 118 A Y H > S+ 0 0 51 -2,-0.2 4,-1.7 1,-0.2 5,-0.1 0.658 116.3 66.4 -66.8 -17.8 33.1 1.2 -1.3 119 119 A R H > S+ 0 0 163 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.951 105.4 41.5 -65.1 -49.0 35.7 3.9 -0.9 120 120 A E H > S+ 0 0 38 -3,-0.4 4,-2.3 1,-0.2 5,-0.3 0.851 109.4 59.8 -66.5 -37.4 33.7 6.3 -3.2 121 121 A A H X S+ 0 0 0 -4,-1.5 4,-2.2 1,-0.2 -1,-0.2 0.915 104.7 49.3 -58.4 -45.2 30.5 5.2 -1.6 122 122 A Y H X S+ 0 0 100 -4,-1.7 4,-2.0 1,-0.2 -1,-0.2 0.933 111.3 50.2 -57.3 -46.4 31.7 6.4 1.8 123 123 A N H X S+ 0 0 75 -4,-1.7 4,-1.0 1,-0.2 -2,-0.2 0.816 111.7 46.1 -65.6 -33.7 32.7 9.7 0.2 124 124 A L H X S+ 0 0 21 -4,-2.3 4,-1.5 2,-0.2 -1,-0.2 0.828 108.3 59.3 -75.7 -33.7 29.4 10.2 -1.5 125 125 A G H X S+ 0 0 0 -4,-2.2 4,-2.4 -5,-0.3 -2,-0.2 0.895 106.1 45.9 -59.2 -43.3 27.8 9.3 1.8 126 126 A L H X S+ 0 0 56 -4,-2.0 4,-2.5 1,-0.2 -1,-0.2 0.779 109.7 56.6 -69.3 -29.1 29.6 12.2 3.5 127 127 A E H X S+ 0 0 108 -4,-1.0 4,-1.2 -5,-0.2 -2,-0.2 0.769 109.4 44.6 -72.1 -25.7 28.4 14.3 0.6 128 128 A I H X S+ 0 0 1 -4,-1.5 4,-1.9 2,-0.2 5,-0.2 0.887 113.4 50.4 -82.3 -40.8 24.8 13.3 1.3 129 129 A K H X S+ 0 0 23 -4,-2.4 4,-2.0 1,-0.2 -2,-0.2 0.953 114.1 44.1 -56.3 -52.7 25.3 13.9 5.1 130 130 A N H X S+ 0 0 95 -4,-2.5 4,-1.9 1,-0.2 -1,-0.2 0.873 112.1 53.9 -63.4 -39.7 26.8 17.4 4.6 131 131 A K H X S+ 0 0 62 -4,-1.2 4,-1.9 2,-0.2 5,-0.2 0.866 110.6 44.0 -62.9 -41.2 24.2 18.3 2.0 132 132 A I H X S+ 0 0 1 -4,-1.9 4,-2.0 2,-0.2 6,-1.1 0.853 113.4 51.7 -77.4 -33.4 21.2 17.5 4.2 133 133 A L H X S+ 0 0 71 -4,-2.0 4,-0.8 4,-0.2 -2,-0.2 0.864 110.6 51.4 -63.0 -36.5 22.9 19.2 7.1 134 134 A E H < S+ 0 0 115 -4,-1.9 -2,-0.2 -5,-0.2 -1,-0.2 0.915 120.8 27.8 -67.6 -49.5 23.4 22.3 4.9 135 135 A K H < S+ 0 0 121 -4,-1.9 -2,-0.2 1,-0.1 -3,-0.2 0.877 137.1 18.3 -87.5 -43.1 19.9 22.7 3.6 136 136 A E H < S- 0 0 33 -4,-2.0 -3,-0.2 -5,-0.2 -2,-0.1 0.369 88.8-125.8-115.6 1.9 17.6 21.3 6.3 137 137 A K < + 0 0 130 -4,-0.8 2,-0.5 -5,-0.4 -4,-0.2 0.800 65.3 139.2 51.8 32.9 19.8 21.3 9.4 138 138 A I - 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0 0 10 -3,-2.0 -1,-0.1 -5,-0.1 -3,-0.1 -0.791 48.3-175.4-107.2 93.0 12.4 -8.9 12.7 187 187 A G > - 0 0 39 -2,-0.9 4,-2.2 -3,-0.1 5,-0.1 -0.060 43.6 -89.0 -75.6-178.7 10.6 -7.5 15.7 188 188 A N H > S+ 0 0 136 2,-0.2 4,-1.7 1,-0.2 5,-0.1 0.832 124.6 55.7 -66.7 -33.2 10.7 -8.7 19.3 189 189 A I H > S+ 0 0 129 1,-0.2 4,-1.6 2,-0.2 3,-0.4 0.981 112.9 41.2 -60.6 -54.8 7.8 -11.1 18.8 190 190 A T H > S+ 0 0 21 1,-0.2 4,-2.3 2,-0.2 -2,-0.2 0.831 110.6 58.5 -62.8 -33.4 9.5 -12.9 15.9 191 191 A A H X S+ 0 0 11 -4,-2.2 4,-1.8 1,-0.2 -1,-0.2 0.869 107.3 47.4 -65.1 -35.5 12.9 -12.8 17.7 192 192 A E H X S+ 0 0 118 -4,-1.7 4,-1.1 -3,-0.4 -1,-0.2 0.836 111.1 50.0 -74.6 -33.2 11.4 -14.8 20.6 193 193 A K H X S+ 0 0 86 -4,-1.6 4,-0.8 2,-0.2 -2,-0.2 0.894 112.7 47.7 -70.2 -41.1 9.7 -17.4 18.3 194 194 A L H >X>S+ 0 0 0 -4,-2.3 5,-2.7 1,-0.2 4,-0.6 0.876 108.4 54.3 -62.5 -41.7 13.0 -17.8 16.5 195 195 A K H 3<5S+ 0 0 136 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.782 104.3 56.3 -65.4 -27.3 14.9 -18.2 19.8 196 196 A K H 3<5S+ 0 0 186 -4,-1.1 -1,-0.2 1,-0.2 -2,-0.2 0.731 107.2 48.0 -75.1 -26.1 12.4 -20.9 20.7 197 197 A L H <<5S- 0 0 49 -4,-0.8 -1,-0.2 -3,-0.6 -2,-0.2 0.515 123.2-107.3 -86.0 -9.7 13.4 -22.8 17.5 198 198 A G T <5S+ 0 0 43 -4,-0.6 2,-0.7 1,-0.2 -3,-0.2 0.754 74.3 138.4 86.6 27.0 17.1 -22.3 18.3 199 199 A I < + 0 0 5 -5,-2.7 -1,-0.2 1,-0.1 -2,-0.1 -0.910 6.3 147.9-105.0 105.1 17.8 -19.7 15.6 200 200 A N + 0 0 79 -2,-0.7 -20,-2.3 1,-0.1 2,-0.3 0.625 65.1 38.2-107.0 -23.7 20.0 -17.0 17.1 201 201 A K B > S-H 179 0C 71 -22,-0.2 3,-1.2 -21,-0.1 4,-0.3 -0.876 86.4-109.2-126.4 160.1 22.0 -16.1 13.9 202 202 A L G > S+ 0 0 0 -24,-0.6 3,-1.6 -28,-0.5 -26,-0.2 0.871 116.3 58.9 -54.0 -39.5 21.1 -15.7 10.3 203 203 A V G > S+ 0 0 54 -28,-2.1 3,-1.4 1,-0.3 -1,-0.3 0.722 90.6 71.0 -67.6 -22.6 23.1 -18.9 9.4 204 204 A D G X> S+ 0 0 40 -3,-1.2 3,-1.2 1,-0.3 4,-1.0 0.644 79.7 76.3 -67.6 -15.8 21.0 -21.0 11.8 205 205 A T G <4 S+ 0 0 3 -3,-1.6 -1,-0.3 -4,-0.3 -2,-0.1 0.514 89.0 59.3 -73.6 -3.7 18.0 -20.7 9.3 206 206 A L G <4 S+ 0 0 71 -3,-1.4 -1,-0.2 1,-0.1 -2,-0.2 0.335 98.4 56.0-106.2 2.8 19.7 -23.3 7.1 207 207 A S T <4 S+ 0 0 104 -3,-1.2 2,-0.2 2,-0.1 -2,-0.2 0.772 95.0 73.5 -97.3 -40.5 19.8 -26.1 9.7 208 208 A I S < S- 0 0 33 -4,-1.0 5,-0.1 1,-0.1 -10,-0.0 -0.507 97.0-101.0 -73.1 141.1 16.1 -26.2 10.4 209 209 A E >> - 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0 0 20 -4,-1.3 -1,-0.4 -113,-0.1 -113,-0.1 -0.959 55.6-143.5-145.8 164.0 62.7 109.5 35.2 458 1116 B R S S+ 0 0 217 -2,-0.3 2,-0.2 -3,-0.1 -4,-0.0 0.534 76.8 5.4-109.6 -12.0 65.3 106.8 34.5 459 1117 B D S > S- 0 0 61 -115,-0.0 4,-1.3 1,-0.0 5,-0.1 -0.859 81.1 -87.8-154.1-170.7 66.2 105.3 37.9 460 1118 B Y H > S+ 0 0 44 -2,-0.2 4,-1.4 2,-0.2 5,-0.1 0.666 118.2 61.8 -85.0 -16.7 65.3 105.2 41.6 461 1119 B R H > S+ 0 0 153 2,-0.2 4,-1.3 1,-0.1 -1,-0.2 0.814 111.4 38.8 -72.0 -31.8 67.7 108.1 42.5 462 1120 B E H > S+ 0 0 63 2,-0.2 4,-1.2 1,-0.1 -2,-0.2 0.763 113.3 54.6 -91.4 -30.7 65.7 110.4 40.1 463 1121 B A H X S+ 0 0 0 -4,-1.3 4,-1.5 2,-0.2 -2,-0.2 0.888 110.0 50.1 -60.8 -40.1 62.3 109.0 41.2 464 1122 B Y H X S+ 0 0 87 -4,-1.4 4,-1.8 2,-0.2 -2,-0.2 0.911 107.2 50.6 -68.3 -46.9 63.4 109.8 44.8 465 1123 B N H X S+ 0 0 89 -4,-1.3 4,-1.1 1,-0.2 -1,-0.2 0.766 110.5 52.0 -64.5 -26.1 64.3 113.4 44.1 466 1124 B L H X S+ 0 0 16 -4,-1.2 4,-2.0 2,-0.2 -1,-0.2 0.808 104.6 55.7 -74.7 -35.4 60.9 113.8 42.4 467 1125 B G H X S+ 0 0 0 -4,-1.5 4,-2.2 2,-0.2 -2,-0.2 0.861 107.8 49.1 -61.9 -36.9 59.3 112.4 45.5 468 1126 B L H X S+ 0 0 56 -4,-1.8 4,-2.3 2,-0.2 -1,-0.2 0.828 109.4 52.1 -69.1 -35.0 61.1 115.1 47.5 469 1127 B E H X S+ 0 0 110 -4,-1.1 4,-1.7 2,-0.2 -2,-0.2 0.840 112.1 46.2 -68.6 -36.4 59.8 117.7 44.9 470 1128 B I H X S+ 0 0 1 -4,-2.0 4,-2.0 2,-0.2 -2,-0.2 0.916 112.8 49.2 -72.0 -43.7 56.3 116.4 45.4 471 1129 B K H X S+ 0 0 22 -4,-2.2 4,-1.4 1,-0.2 -2,-0.2 0.904 115.7 42.3 -64.3 -46.1 56.5 116.4 49.2 472 1130 B N H X S+ 0 0 95 -4,-2.3 4,-2.5 1,-0.2 -1,-0.2 0.901 112.9 54.1 -66.4 -40.8 57.9 119.9 49.4 473 1131 B K H X S+ 0 0 72 -4,-1.7 4,-1.6 1,-0.2 -2,-0.2 0.841 109.2 46.8 -66.1 -35.4 55.5 121.2 46.8 474 1132 B I H X>S+ 0 0 3 -4,-2.0 4,-2.5 2,-0.2 6,-1.0 0.823 111.9 51.9 -74.8 -32.0 52.4 119.9 48.6 475 1133 B L H X5S+ 0 0 71 -4,-1.4 4,-1.0 4,-0.2 -2,-0.2 0.914 110.6 47.4 -71.3 -45.8 53.7 121.3 51.9 476 1134 B E H <5S+ 0 0 126 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.940 122.4 35.7 -49.4 -49.7 54.2 124.8 50.4 477 1135 B K H <5S+ 0 0 133 -4,-1.6 -2,-0.2 -5,-0.2 -1,-0.2 0.697 137.9 7.9 -93.4 -29.9 50.8 124.8 48.8 478 1136 B E H <5S- 0 0 34 -4,-2.5 -3,-0.2 2,-0.1 -1,-0.1 0.331 88.3-122.5-132.1 0.4 48.4 123.0 51.2 479 1137 B K << + 0 0 140 -4,-1.0 2,-0.6 -5,-0.6 -4,-0.2 0.734 65.9 139.9 58.1 26.4 50.5 122.5 54.3 480 1138 B I - 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0 0 67 -2,-0.5 4,-1.7 -22,-0.1 3,-0.4 -0.012 37.8 -87.8 -67.0 172.6 64.4 98.3 44.7 510 1168 B D H > S+ 0 0 95 1,-0.2 4,-1.5 2,-0.2 -1,-0.1 0.827 128.4 51.9 -49.1 -35.9 64.2 95.0 42.6 511 1169 B E H > S+ 0 0 143 2,-0.2 4,-1.2 1,-0.2 -1,-0.2 0.884 108.5 46.5 -71.4 -43.9 66.3 93.3 45.3 512 1170 B E H > S+ 0 0 50 -3,-0.4 4,-1.7 2,-0.2 -1,-0.2 0.682 107.0 60.6 -75.6 -18.3 64.3 94.3 48.4 513 1171 B V H X S+ 0 0 0 -4,-1.7 4,-1.5 2,-0.2 -2,-0.2 0.952 105.0 48.0 -63.9 -51.2 61.1 93.3 46.5 514 1172 B K H < S+ 0 0 101 -4,-1.5 4,-0.5 1,-0.2 -2,-0.2 0.817 113.3 48.5 -61.2 -32.4 62.5 89.7 46.2 515 1173 B R H >X S+ 0 0 101 -4,-1.2 4,-1.9 2,-0.2 3,-0.6 0.855 109.5 50.3 -75.2 -39.0 63.4 89.7 49.9 516 1174 B L H 3X S+ 0 0 5 -4,-1.7 4,-1.6 1,-0.2 28,-0.4 0.697 99.7 65.8 -74.0 -21.6 59.9 91.0 51.1 517 1175 B I H 3< S+ 0 0 10 -4,-1.5 28,-1.4 1,-0.2 -1,-0.2 0.796 115.1 31.7 -63.6 -29.3 58.3 88.3 48.9 518 1176 B R H <4 S+ 0 0 132 -3,-0.6 -2,-0.2 -4,-0.5 -1,-0.2 0.767 131.1 29.6 -94.7 -32.0 60.0 86.0 51.5 519 1177 B E H < S+ 0 0 109 -4,-1.9 2,-0.4 24,-0.1 -3,-0.2 0.580 85.0 105.4-117.5 -12.2 60.0 88.0 54.7 520 1178 B L S < S- 0 0 19 -4,-1.6 24,-0.6 -5,-0.2 5,-0.1 -0.603 75.0-111.8 -79.9 125.3 57.0 90.4 54.9 521 1179 B D B > -S 543 0G 87 -2,-0.4 3,-1.5 1,-0.1 22,-0.2 -0.292 25.9-133.9 -42.3 129.3 54.0 89.5 57.1 522 1180 B I G > S+ 0 0 4 20,-2.3 3,-0.8 1,-0.3 -1,-0.1 0.628 101.7 68.5 -77.0 -11.8 51.2 88.8 54.7 523 1181 B A G 3 S+ 0 0 37 19,-0.3 -1,-0.3 1,-0.2 10,-0.1 0.630 92.9 61.5 -71.8 -17.1 48.8 91.0 56.7 524 1182 B D G < S+ 0 0 89 -3,-1.5 -1,-0.2 2,-0.1 -2,-0.2 0.338 77.5 108.3 -93.9 3.0 50.9 94.0 55.5 525 1183 B V S X S- 0 0 3 -3,-0.8 3,-1.8 4,-0.1 2,-0.1 -0.674 84.8-103.0 -74.2 131.3 50.1 93.3 51.9 526 1184 B P T 3 S+ 0 0 16 0, 0.0 3,-0.1 0, 0.0 -1,-0.1 -0.371 108.0 28.0 -52.1 131.4 47.7 96.0 50.5 527 1185 B G T 3 S+ 0 0 59 1,-0.3 2,-0.6 -4,-0.1 5,-0.1 0.215 95.1 105.3 96.7 -13.2 44.2 94.6 50.2 528 1186 B I < + 0 0 14 -3,-1.8 -1,-0.3 -5,-0.1 2,-0.1 -0.909 50.8 176.9 -98.3 122.8 44.6 92.1 53.0 529 1187 B G > - 0 0 40 -2,-0.6 4,-1.6 -3,-0.1 5,-0.2 -0.244 46.9 -67.7-109.8-163.3 42.8 93.3 56.1 530 1188 B N H > S+ 0 0 141 1,-0.2 4,-1.3 2,-0.2 -2,-0.0 0.942 128.6 40.8 -52.5 -54.3 42.1 91.9 59.6 531 1189 B I H > S+ 0 0 128 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.870 113.5 49.0 -72.4 -43.3 39.8 89.1 58.5 532 1190 B T H > S+ 0 0 20 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.805 109.3 56.0 -66.8 -31.2 41.7 87.8 55.4 533 1191 B A H X S+ 0 0 11 -4,-1.6 4,-2.3 2,-0.2 -1,-0.2 0.861 105.0 51.3 -68.2 -37.8 44.9 87.8 57.5 534 1192 B E H X S+ 0 0 116 -4,-1.3 4,-2.1 2,-0.2 -2,-0.2 0.839 109.7 50.1 -65.9 -37.3 43.3 85.5 60.1 535 1193 B K H X S+ 0 0 93 -4,-1.5 4,-0.9 2,-0.2 -2,-0.2 0.907 112.4 47.1 -66.1 -43.6 42.2 83.1 57.4 536 1194 B L H X>S+ 0 0 0 -4,-1.9 5,-2.9 2,-0.2 4,-0.6 0.884 110.9 51.3 -65.7 -41.3 45.7 83.0 55.9 537 1195 B K H ><5S+ 0 0 138 -4,-2.3 3,-1.0 1,-0.2 -2,-0.2 0.909 109.3 50.9 -62.4 -43.4 47.2 82.5 59.4 538 1196 B K H 3<5S+ 0 0 191 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.700 108.0 53.5 -67.4 -20.7 44.9 79.6 60.0 539 1197 B L H 3<5S- 0 0 50 -4,-0.9 -1,-0.2 -3,-0.3 -2,-0.2 0.585 122.4-107.3 -87.1 -12.8 46.0 78.1 56.6 540 1198 B G T <<5S+ 0 0 47 -3,-1.0 2,-0.6 -4,-0.6 -3,-0.2 0.707 78.0 132.8 92.2 27.0 49.6 78.3 57.7 541 1199 B I < + 0 0 3 -5,-2.9 -1,-0.2 1,-0.1 -2,-0.2 -0.932 7.4 143.5-118.5 104.2 50.4 81.3 55.4 542 1200 B N + 0 0 73 -2,-0.6 -20,-2.3 -3,-0.1 2,-0.3 0.580 66.6 47.1-112.5 -24.7 52.3 84.1 57.1 543 1201 B K B > S-S 521 0G 68 -22,-0.2 3,-0.8 -21,-0.1 -22,-0.1 -0.817 83.5-117.8-115.3 160.1 54.6 85.1 54.1 544 1202 B L G > S+ 0 0 2 -24,-0.6 3,-1.6 -28,-0.4 27,-0.2 0.869 113.0 60.6 -59.1 -40.2 53.8 85.8 50.5 545 1203 B V G > S+ 0 0 47 -28,-1.4 3,-1.2 1,-0.3 -1,-0.2 0.665 88.0 75.2 -68.2 -15.1 56.0 82.9 49.3 546 1204 B D G < S+ 0 0 37 -3,-0.8 4,-0.3 1,-0.2 -1,-0.3 0.317 75.7 77.5 -78.2 7.0 53.8 80.5 51.3 547 1205 B T G < S+ 0 0 4 -3,-1.6 -1,-0.2 1,-0.2 -2,-0.1 0.357 92.7 52.6 -93.1 2.9 51.1 80.8 48.6 548 1206 B L S < S+ 0 0 90 -3,-1.2 -2,-0.2 -4,-0.1 -1,-0.2 0.366 98.6 62.4-110.9 -4.5 53.2 78.4 46.5 549 1207 B S S S+ 0 0 105 -4,-0.1 2,-0.3 2,-0.1 -2,-0.1 0.678 101.4 65.8 -83.2 -22.5 53.4 75.8 49.3 550 1208 B I S S- 0 0 30 -4,-0.3 2,-0.1 1,-0.1 -11,-0.0 -0.750 92.4-107.9-105.9 146.3 49.6 75.5 49.1 551 1209 B E > - 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