==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=21-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE/DNA 27-JUL-05 2AGQ . COMPND 2 MOLECULE: 5'-D(*GP*GP*CP*TP*AP*CP*AP*GP*GP*AP*CP*TP*(DOC))- . SOURCE 2 SYNTHETIC: YES; . AUTHOR H.LING,W.YANG . 341 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 18217.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 248 72.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 9 2.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 60 17.6 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.6 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 . 21 6.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 33 9.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 117 34.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 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 0 1 2 1 1 2 0 0 0 0 1 0 1 2 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 1 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 0 PARALLEL BRIDGES PER LADDER . 2 0 0 1 2 1 1 1 1 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 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 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 99 0, 0.0 2,-0.5 0, 0.0 109,-0.0 0.000 360.0 360.0 360.0 139.8 47.7 19.8 15.3 2 2 A I - 0 0 24 113,-0.1 109,-1.6 2,-0.0 2,-0.4 -0.968 360.0-167.2-117.9 118.1 46.4 17.1 12.9 3 3 A V E -AB 110 145A 0 142,-3.0 142,-1.8 -2,-0.5 2,-0.5 -0.901 7.2-161.7-110.6 133.6 42.8 16.1 13.2 4 4 A L E -AB 109 144A 0 105,-3.1 105,-2.9 -2,-0.4 2,-0.4 -0.966 11.5-165.3-115.3 119.0 41.2 13.0 11.5 5 5 A F E -AB 108 143A 0 138,-3.5 138,-2.7 -2,-0.5 2,-0.4 -0.880 3.0-160.8-108.7 132.3 37.5 13.1 11.3 6 6 A V E +AB 107 142A 0 101,-3.1 101,-2.0 -2,-0.4 2,-0.4 -0.949 10.2 177.5-115.4 134.0 35.4 10.1 10.5 7 7 A D E -AB 106 141A 9 134,-2.0 134,-3.0 -2,-0.4 99,-0.2 -0.965 27.1-129.7-136.5 115.3 31.8 10.3 9.2 8 8 A F E > - B 0 140A 2 97,-2.3 3,-0.7 -2,-0.4 132,-0.3 -0.381 30.3-110.1 -66.5 139.0 29.8 7.1 8.3 9 9 A D T 3 S- 0 0 1 130,-1.9 5,-0.3 1,-0.2 130,-0.1 -0.505 81.4 -29.3 -74.3 137.5 28.2 7.1 4.9 10 10 A Y T >> S- 0 0 43 -2,-0.2 4,-2.9 3,-0.1 3,-0.5 0.752 86.4-167.7 21.3 53.6 24.3 7.3 4.7 11 11 A F H <> + 0 0 9 -3,-0.7 4,-2.4 1,-0.2 5,-0.2 0.740 68.2 41.1 -35.0 -69.8 24.5 5.5 8.0 12 12 A Y H 3> S+ 0 0 32 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.887 121.5 46.1 -55.0 -39.6 20.9 4.2 8.9 13 13 A A H <> S+ 0 0 0 -3,-0.5 4,-1.8 1,-0.2 -2,-0.2 0.934 111.1 50.7 -69.1 -47.1 20.4 3.1 5.3 14 14 A Q H X S+ 0 0 7 -4,-2.9 4,-2.1 -5,-0.3 -2,-0.2 0.836 106.9 54.5 -62.2 -34.2 23.9 1.5 5.0 15 15 A V H X S+ 0 0 1 -4,-2.4 4,-2.5 -5,-0.2 -1,-0.2 0.944 107.0 50.9 -64.7 -44.7 23.4 -0.6 8.1 16 16 A E H X S+ 0 0 8 -4,-1.5 4,-1.7 1,-0.2 -2,-0.2 0.881 109.9 51.3 -59.1 -37.5 20.1 -1.9 6.7 17 17 A E H < S+ 0 0 10 -4,-1.8 7,-0.3 2,-0.2 6,-0.3 0.885 108.1 51.0 -67.5 -38.1 22.0 -2.9 3.6 18 18 A V H < S+ 0 0 58 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.910 113.5 45.6 -65.6 -39.8 24.7 -4.7 5.6 19 19 A L H < S+ 0 0 90 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.770 128.4 26.4 -74.0 -25.4 21.9 -6.6 7.4 20 20 A N >< - 0 0 70 -4,-1.7 3,-2.3 -5,-0.2 -1,-0.3 -0.716 68.3-173.4-140.1 85.4 20.1 -7.4 4.1 21 21 A P G > S+ 0 0 81 0, 0.0 3,-1.5 0, 0.0 -1,-0.1 0.708 77.5 76.3 -51.9 -26.3 22.5 -7.4 1.1 22 22 A S G 3 S+ 0 0 77 1,-0.3 4,-0.1 3,-0.1 -5,-0.1 0.685 87.0 65.9 -62.7 -13.1 19.6 -7.8 -1.4 23 23 A L G X S+ 0 0 7 -3,-2.3 3,-1.9 -6,-0.3 -1,-0.3 0.749 71.9 107.7 -79.3 -27.2 19.0 -4.0 -0.7 24 24 A K T < S+ 0 0 139 -3,-1.5 -10,-0.0 -7,-0.3 0, 0.0 -0.308 83.2 24.2 -56.3 128.1 22.2 -2.8 -2.3 25 25 A G T 3 S+ 0 0 57 1,-0.4 -1,-0.2 3,-0.0 -2,-0.1 -0.065 103.8 91.6 108.3 -34.1 21.5 -1.1 -5.6 26 26 A K S < S- 0 0 100 -3,-1.9 2,-0.4 -4,-0.1 -1,-0.4 -0.536 89.3 -96.0 -91.6 161.3 17.9 -0.2 -4.9 27 27 A P - 0 0 34 0, 0.0 45,-2.6 0, 0.0 2,-0.4 -0.659 43.7-162.8 -78.6 127.3 16.8 3.2 -3.3 28 28 A V E -e 72 0B 0 -2,-0.4 19,-2.0 43,-0.2 2,-0.5 -0.945 8.7-169.4-116.4 134.0 16.4 2.7 0.4 29 29 A V E -eF 73 46B 0 43,-2.9 45,-2.8 -2,-0.4 2,-0.6 -0.959 9.7-154.3-127.7 113.1 14.5 5.1 2.7 30 30 A V E -eF 74 45B 0 15,-2.4 14,-2.6 -2,-0.5 15,-1.2 -0.759 24.8-158.5 -86.8 122.2 14.6 4.8 6.5 31 31 A C E -eF 75 43B 1 43,-4.1 45,-3.0 -2,-0.6 2,-0.7 -0.776 25.6-149.8-112.8 150.0 11.4 6.4 7.9 32 32 A V E - F 0 42B 67 10,-3.3 10,-1.8 -2,-0.3 2,-0.4 -0.895 25.6-157.8-112.8 94.7 10.3 7.8 11.2 33 33 A F E - F 0 41B 88 -2,-0.7 8,-0.3 8,-0.2 7,-0.1 -0.641 9.9-166.5 -77.4 125.0 6.6 7.0 11.3 34 34 A S - 0 0 36 6,-1.3 216,-0.2 -2,-0.4 7,-0.2 0.749 29.1-131.2 -85.5 -25.4 4.6 9.3 13.6 35 35 A G S S+ 0 0 46 5,-0.6 3,-0.1 2,-0.3 6,-0.1 0.468 72.6 115.1 93.0 -0.8 1.4 7.3 13.8 36 36 A R S S- 0 0 38 1,-0.2 2,-0.2 215,-0.0 -3,-0.0 0.968 89.7 -25.3 -66.4 -50.6 -1.2 9.9 13.1 37 37 A F S > S- 0 0 133 0, 0.0 3,-1.9 0, 0.0 2,-0.4 -0.803 97.2 -39.7-147.0-172.9 -2.3 8.3 9.8 38 38 A E T 3 S- 0 0 159 1,-0.3 24,-0.0 -2,-0.2 -2,-0.0 -0.435 126.4 -8.9 -61.3 113.4 -1.1 6.1 6.9 39 39 A D T 3 S+ 0 0 35 -2,-0.4 23,-0.4 1,-0.2 -1,-0.3 0.606 90.3 155.7 73.5 14.6 2.5 7.0 6.2 40 40 A S < + 0 0 5 -3,-1.9 -6,-1.3 21,-0.1 -5,-0.6 -0.469 37.1 63.6 -69.8 145.7 2.5 10.1 8.4 41 41 A G E S-F 33 0B 22 -8,-0.3 20,-2.1 -7,-0.2 21,-0.4 -0.800 75.0 -85.1 134.0-175.4 6.0 10.9 9.5 42 42 A A E -FG 32 60B 37 -10,-1.8 -10,-3.3 18,-0.3 2,-0.4 -0.840 35.3 -95.5-131.6 168.5 9.4 12.0 8.0 43 43 A V E -F 31 0B 5 16,-2.2 15,-3.3 13,-0.3 -12,-0.2 -0.691 21.3-169.5 -85.7 128.3 12.5 10.6 6.4 44 44 A A E - 0 0 25 -14,-2.6 2,-0.3 -2,-0.4 13,-0.2 0.884 69.7 -45.9 -79.8 -44.6 15.5 9.9 8.8 45 45 A T E -F 30 0B 20 -15,-1.2 -15,-2.4 11,-0.1 -1,-0.4 -0.956 51.4-148.5-173.9 171.1 17.8 9.3 5.8 46 46 A A E -F 29 0B 0 -2,-0.3 -17,-0.2 -17,-0.2 11,-0.2 -0.979 29.4-101.6-150.8 153.0 18.0 7.4 2.5 47 47 A N > - 0 0 0 -19,-2.0 4,-1.9 -2,-0.3 3,-0.4 -0.194 45.2 -96.5 -70.6 171.9 20.9 5.9 0.6 48 48 A Y H > S+ 0 0 61 1,-0.2 4,-2.0 2,-0.2 5,-0.2 0.789 120.7 64.8 -62.9 -29.6 22.4 7.7 -2.4 49 49 A E H 4 S+ 0 0 60 -23,-0.3 4,-0.4 1,-0.2 -1,-0.2 0.956 111.0 40.1 -56.7 -45.3 20.3 5.8 -5.0 50 50 A A H >4>S+ 0 0 0 -3,-0.4 5,-1.5 -24,-0.2 3,-1.2 0.863 110.4 58.0 -71.0 -37.9 17.3 7.5 -3.4 51 51 A R H ><5S+ 0 0 78 -4,-1.9 3,-1.9 1,-0.3 -1,-0.2 0.794 89.6 71.6 -64.2 -30.4 19.0 10.9 -2.8 52 52 A K T 3<5S+ 0 0 154 -4,-2.0 -1,-0.3 1,-0.3 -2,-0.2 0.812 104.2 44.5 -54.6 -27.0 19.8 11.3 -6.5 53 53 A F T < 5S- 0 0 125 -3,-1.2 -1,-0.3 -4,-0.4 -2,-0.2 0.354 127.7 -92.6-101.3 4.2 16.0 11.9 -6.9 54 54 A G T < 5S+ 0 0 40 -3,-1.9 2,-0.8 1,-0.3 -3,-0.2 0.517 80.3 132.7 100.3 4.7 15.4 14.2 -4.0 55 55 A V < + 0 0 0 -5,-1.5 2,-0.3 -8,-0.1 -1,-0.3 -0.833 33.2 137.5 -93.2 110.6 14.5 11.8 -1.2 56 56 A K > - 0 0 129 -2,-0.8 3,-1.6 1,-0.1 -13,-0.3 -0.905 57.0 -52.2-146.0 172.3 16.6 12.8 1.8 57 57 A A T 3 S+ 0 0 55 -2,-0.3 -13,-0.2 1,-0.2 -12,-0.1 -0.088 115.0 23.9 -48.5 140.0 16.4 13.4 5.6 58 58 A G T 3 S+ 0 0 59 -15,-3.3 -1,-0.2 1,-0.3 -14,-0.1 0.024 86.0 116.8 95.9 -29.7 13.6 15.6 6.7 59 59 A I S < S- 0 0 31 -3,-1.6 -16,-2.2 1,-0.1 -1,-0.3 -0.376 75.9 -90.6 -76.1 156.2 11.0 15.4 3.9 60 60 A P B >> -G 42 0B 68 0, 0.0 4,-2.0 0, 0.0 3,-0.7 -0.337 28.9-129.4 -61.3 142.3 7.5 13.9 4.6 61 61 A I H 3> S+ 0 0 0 -20,-2.1 4,-2.4 1,-0.2 5,-0.2 0.900 109.8 59.4 -60.6 -37.8 7.3 10.2 3.9 62 62 A V H 3> S+ 0 0 53 -23,-0.4 4,-1.0 -21,-0.4 -1,-0.2 0.797 105.4 48.1 -60.4 -31.2 4.3 10.9 1.7 63 63 A E H <> S+ 0 0 75 -3,-0.7 4,-1.9 2,-0.2 3,-0.4 0.920 108.0 53.5 -77.1 -43.0 6.4 13.1 -0.5 64 64 A A H X S+ 0 0 0 -4,-2.0 4,-3.3 1,-0.3 -2,-0.2 0.919 108.3 52.1 -56.0 -42.7 9.2 10.6 -0.8 65 65 A K H < S+ 0 0 63 -4,-2.4 -1,-0.3 1,-0.2 -2,-0.2 0.824 104.0 55.8 -64.7 -31.1 6.6 8.0 -1.9 66 66 A K H < S+ 0 0 142 -4,-1.0 -1,-0.2 -3,-0.4 -2,-0.2 0.909 115.8 38.9 -65.7 -40.0 5.3 10.4 -4.6 67 67 A I H < S+ 0 0 79 -4,-1.9 -2,-0.2 1,-0.2 -1,-0.2 0.911 134.6 19.2 -75.8 -46.7 8.8 10.6 -6.0 68 68 A L >< + 0 0 24 -4,-3.3 3,-1.8 -5,-0.2 -1,-0.2 -0.611 65.6 167.7-128.2 73.9 9.9 7.0 -5.5 69 69 A P T 3 S+ 0 0 87 0, 0.0 -1,-0.1 0, 0.0 -4,-0.1 0.753 81.6 45.1 -57.6 -25.7 6.7 4.8 -5.1 70 70 A N T 3 S+ 0 0 155 2,-0.1 -5,-0.1 -5,-0.0 -2,-0.0 0.313 84.7 115.9-103.3 9.0 8.7 1.6 -5.5 71 71 A A S < S- 0 0 11 -3,-1.8 2,-0.6 -7,-0.1 -43,-0.2 -0.230 78.1 -98.5 -68.5 166.2 11.6 2.4 -3.3 72 72 A V E -e 28 0B 36 -45,-2.6 -43,-2.9 -49,-0.1 2,-0.6 -0.812 37.8-159.5 -91.1 122.8 12.1 0.3 -0.2 73 73 A Y E -e 29 0B 38 -2,-0.6 -43,-0.2 -45,-0.2 -45,-0.0 -0.907 12.0-177.6-105.9 121.2 10.7 2.0 2.9 74 74 A L E -e 30 0B 35 -45,-2.8 -43,-4.1 -2,-0.6 2,-0.3 -0.934 28.6-118.5-121.9 141.5 12.0 0.8 6.2 75 75 A P E -e 31 0B 72 0, 0.0 -43,-0.2 0, 0.0 -45,-0.0 -0.582 45.7 -99.4 -74.9 137.0 11.0 1.9 9.7 76 76 A M - 0 0 57 -45,-3.0 2,-0.2 -2,-0.3 -43,-0.1 -0.300 31.3-163.9 -57.3 136.5 14.0 3.4 11.6 77 77 A R >> + 0 0 92 1,-0.2 4,-1.6 -65,-0.1 3,-1.0 -0.591 15.3 171.8-123.6 67.8 15.7 0.9 13.9 78 78 A K H 3> S+ 0 0 104 1,-0.3 4,-2.5 -2,-0.2 5,-0.2 0.857 72.6 57.1 -41.9 -55.9 17.7 3.3 16.1 79 79 A E H 3> S+ 0 0 124 1,-0.2 4,-1.9 2,-0.2 -1,-0.3 0.857 107.6 49.5 -49.2 -42.2 18.8 0.7 18.6 80 80 A V H <> S+ 0 0 33 -3,-1.0 4,-2.3 2,-0.2 -1,-0.2 0.951 111.2 46.9 -64.6 -49.9 20.4 -1.5 15.9 81 81 A Y H X S+ 0 0 0 -4,-1.6 4,-2.9 1,-0.2 -2,-0.2 0.837 110.9 55.3 -61.6 -32.5 22.3 1.4 14.3 82 82 A Q H X S+ 0 0 81 -4,-2.5 4,-3.2 -5,-0.2 -1,-0.2 0.894 106.8 47.9 -67.7 -42.4 23.5 2.4 17.8 83 83 A Q H X S+ 0 0 130 -4,-1.9 4,-1.6 2,-0.2 -2,-0.2 0.928 114.8 46.3 -65.3 -43.5 24.9 -1.0 18.5 84 84 A V H X S+ 0 0 9 -4,-2.3 4,-1.9 2,-0.2 3,-0.3 0.950 113.0 50.5 -62.7 -46.1 26.7 -1.0 15.1 85 85 A S H X S+ 0 0 2 -4,-2.9 4,-2.5 1,-0.2 3,-0.3 0.943 106.1 55.0 -55.9 -50.5 27.9 2.5 15.8 86 86 A S H X S+ 0 0 55 -4,-3.2 4,-1.6 1,-0.2 -1,-0.2 0.845 107.5 50.7 -53.9 -35.9 29.2 1.6 19.2 87 87 A R H X S+ 0 0 112 -4,-1.6 4,-1.0 -3,-0.3 -1,-0.2 0.883 109.4 49.0 -71.6 -37.9 31.3 -1.1 17.7 88 88 A I H X S+ 0 0 0 -4,-1.9 4,-1.8 -3,-0.3 3,-0.5 0.905 107.2 56.3 -67.1 -39.6 32.8 1.1 15.0 89 89 A M H X S+ 0 0 4 -4,-2.5 4,-1.7 1,-0.3 -1,-0.2 0.918 104.2 53.2 -58.6 -42.7 33.7 3.7 17.7 90 90 A N H X S+ 0 0 86 -4,-1.6 4,-0.5 1,-0.2 -1,-0.3 0.796 105.1 55.6 -63.7 -27.2 35.7 1.1 19.5 91 91 A L H >< S+ 0 0 30 -4,-1.0 3,-0.9 -3,-0.5 -1,-0.2 0.899 106.4 50.3 -71.4 -38.3 37.6 0.4 16.3 92 92 A L H >< S+ 0 0 0 -4,-1.8 3,-2.4 1,-0.2 4,-0.4 0.830 96.2 69.4 -68.6 -31.6 38.6 4.0 16.1 93 93 A R H >< S+ 0 0 106 -4,-1.7 3,-1.0 1,-0.3 -1,-0.2 0.766 87.7 67.0 -57.6 -26.1 39.8 4.2 19.7 94 94 A E T << S+ 0 0 157 -3,-0.9 -1,-0.3 -4,-0.5 -2,-0.2 0.595 98.7 53.6 -70.8 -9.6 42.7 1.9 18.7 95 95 A Y T < S+ 0 0 24 -3,-2.4 -1,-0.2 1,-0.3 2,-0.2 0.495 122.0 1.9-103.7 -6.6 44.0 4.8 16.6 96 96 A S < - 0 0 2 -3,-1.0 -1,-0.3 -4,-0.4 15,-0.1 -0.830 42.3-147.7-179.5 139.9 44.1 7.5 19.3 97 97 A E S S+ 0 0 134 -2,-0.2 2,-1.3 1,-0.2 -1,-0.1 0.784 97.7 70.7 -78.4 -30.4 43.5 8.1 23.0 98 98 A K S S+ 0 0 96 12,-0.4 12,-3.0 -3,-0.1 2,-0.4 -0.702 72.1 141.8 -90.2 86.2 42.4 11.6 22.1 99 99 A I E -C 109 0A 14 -2,-1.3 2,-0.5 10,-0.2 10,-0.2 -0.989 35.6-159.1-132.9 138.9 39.1 10.9 20.3 100 100 A E E -C 108 0A 1 8,-3.1 8,-2.8 -2,-0.4 2,-0.9 -0.965 8.6-152.2-120.8 117.8 35.8 12.8 20.4 101 101 A I E +C 107 0A 53 -2,-0.5 6,-0.3 6,-0.2 139,-0.2 -0.789 16.7 179.8 -89.0 106.5 32.6 11.0 19.5 102 102 A A E - 0 0 16 4,-1.1 2,-0.3 -2,-0.9 5,-0.2 0.692 58.5 -28.9 -81.9 -22.1 30.4 13.8 18.1 103 103 A S E > S-C 106 0A 44 3,-1.3 3,-0.8 1,-0.0 -1,-0.1 -0.948 86.1 -57.8-171.2-169.9 27.3 11.8 17.3 104 104 A I T 3 S+ 0 0 32 -2,-0.3 3,-0.0 1,-0.2 -1,-0.0 0.791 134.0 21.0 -60.8 -26.2 26.0 8.4 16.3 105 105 A D T 3 S+ 0 0 30 -97,-0.1 -97,-2.3 -17,-0.0 2,-0.4 0.173 110.3 77.8-132.0 24.5 28.1 8.5 13.1 106 106 A E E < +AC 7 103A 28 -3,-0.8 -3,-1.3 -99,-0.2 -4,-1.1 -0.993 41.1 171.9-138.6 143.4 31.0 10.9 13.7 107 107 A A E -AC 6 101A 0 -101,-2.0 -101,-3.1 -2,-0.4 2,-0.4 -0.994 17.7-151.1-148.3 139.8 34.3 10.9 15.6 108 108 A Y E -AC 5 100A 14 -8,-2.8 -8,-3.1 -2,-0.3 2,-0.4 -0.934 15.5-164.4-109.8 133.8 37.2 13.3 15.7 109 109 A L E -AC 4 99A 0 -105,-2.9 -105,-3.1 -2,-0.4 2,-1.1 -0.982 16.2-144.8-124.3 129.8 40.7 11.9 16.4 110 110 A D E +A 3 0A 23 -12,-3.0 -12,-0.4 -2,-0.4 3,-0.4 -0.785 27.0 168.4 -89.4 99.5 43.7 14.0 17.4 111 111 A I >> + 0 0 0 -109,-1.6 4,-2.3 -2,-1.1 3,-1.2 0.067 36.1 119.2-102.0 25.6 46.5 12.0 15.7 112 112 A S T 34 S+ 0 0 37 -110,-0.4 -1,-0.2 1,-0.3 -109,-0.1 0.891 82.1 40.6 -55.2 -42.4 49.1 14.7 16.3 113 113 A D T 34 S+ 0 0 118 -3,-0.4 -1,-0.3 1,-0.1 -2,-0.1 0.429 114.4 54.2 -87.9 0.5 51.2 12.3 18.3 114 114 A K T <4 S+ 0 0 94 -3,-1.2 2,-0.3 1,-0.1 -2,-0.2 0.807 110.2 34.0-101.7 -38.8 50.6 9.3 15.9 115 115 A V < - 0 0 13 -4,-2.3 -1,-0.1 -113,-0.1 -113,-0.1 -0.791 61.0-146.2-117.0 161.8 51.6 10.7 12.5 116 116 A R S S- 0 0 214 -2,-0.3 2,-0.3 1,-0.1 -1,-0.1 0.642 77.2 -7.3 -99.4 -17.8 54.3 13.2 11.5 117 117 A D S > S- 0 0 64 1,-0.0 4,-2.0 -115,-0.0 -1,-0.1 -0.916 81.2 -82.1-160.8-176.1 52.6 14.8 8.6 118 118 A Y H > S+ 0 0 44 -2,-0.3 4,-3.7 2,-0.2 5,-0.2 0.817 121.4 59.9 -71.1 -29.3 49.5 14.8 6.3 119 119 A R H > S+ 0 0 159 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.973 111.3 40.4 -60.5 -52.2 51.0 12.1 4.1 120 120 A E H > S+ 0 0 40 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.873 115.7 52.2 -62.1 -38.8 51.2 9.8 7.1 121 121 A A H X S+ 0 0 0 -4,-2.0 4,-2.5 2,-0.2 -2,-0.2 0.938 108.2 50.0 -62.9 -49.0 47.8 11.0 8.2 122 122 A Y H X S+ 0 0 95 -4,-3.7 4,-2.1 1,-0.2 -2,-0.2 0.932 112.3 48.3 -54.4 -48.6 46.2 10.3 4.8 123 123 A N H X S+ 0 0 71 -4,-2.4 4,-2.3 1,-0.2 -1,-0.2 0.872 109.6 52.0 -60.8 -39.1 47.7 6.8 5.0 124 124 A L H X S+ 0 0 22 -4,-2.2 4,-2.0 1,-0.2 -1,-0.2 0.880 106.4 55.9 -64.7 -35.7 46.4 6.3 8.5 125 125 A G H X S+ 0 0 0 -4,-2.5 4,-2.9 2,-0.2 -2,-0.2 0.934 107.0 47.6 -60.7 -47.3 43.0 7.4 7.2 126 126 A L H X S+ 0 0 57 -4,-2.1 4,-2.9 1,-0.2 5,-0.3 0.933 109.5 53.8 -59.0 -46.8 43.1 4.6 4.5 127 127 A E H X S+ 0 0 108 -4,-2.3 4,-2.0 1,-0.2 -1,-0.2 0.857 111.6 46.3 -55.9 -37.1 44.1 2.1 7.2 128 128 A I H X S+ 0 0 0 -4,-2.0 4,-2.4 2,-0.2 5,-0.3 0.927 111.0 50.7 -71.9 -46.5 41.1 3.2 9.3 129 129 A K H X S+ 0 0 25 -4,-2.9 4,-1.7 1,-0.2 -2,-0.2 0.896 113.8 46.1 -58.3 -40.6 38.7 3.1 6.3 130 130 A N H X S+ 0 0 90 -4,-2.9 4,-2.8 2,-0.2 5,-0.2 0.922 109.5 53.3 -69.7 -43.9 39.9 -0.4 5.5 131 131 A K H X S+ 0 0 69 -4,-2.0 4,-3.0 -5,-0.3 5,-0.3 0.939 111.6 45.3 -55.1 -51.7 39.8 -1.7 9.1 132 132 A I H X>S+ 0 0 1 -4,-2.4 4,-2.7 1,-0.2 6,-0.7 0.875 114.1 49.9 -60.5 -39.7 36.1 -0.5 9.5 133 133 A L H X5S+ 0 0 67 -4,-1.7 4,-1.3 -5,-0.3 -1,-0.2 0.881 114.1 44.3 -67.8 -39.0 35.3 -2.0 6.1 134 134 A E H <5S+ 0 0 125 -4,-2.8 -2,-0.2 2,-0.2 -1,-0.2 0.931 121.1 38.9 -70.0 -48.7 36.9 -5.4 6.9 135 135 A K H <5S+ 0 0 131 -4,-3.0 -2,-0.2 -5,-0.2 -3,-0.2 0.862 140.7 7.0 -71.6 -38.3 35.4 -5.6 10.4 136 136 A E H <5S- 0 0 37 -4,-2.7 -3,-0.2 -5,-0.3 -2,-0.2 0.474 84.9-127.0-126.9 -3.7 32.0 -4.2 9.7 137 137 A K << + 0 0 129 -4,-1.3 2,-0.4 -5,-0.6 -4,-0.2 0.907 64.5 136.6 55.1 41.8 31.6 -3.8 5.9 138 138 A I - 0 0 2 -6,-0.7 2,-0.3 -9,-0.1 -1,-0.2 -0.983 47.5-143.0-120.6 129.8 30.6 -0.1 6.5 139 139 A T + 0 0 30 -2,-0.4 -130,-1.9 -130,-0.1 2,-0.3 -0.743 23.7 177.0 -93.5 144.0 32.1 2.6 4.3 140 140 A V E -B 8 0A 1 -2,-0.3 2,-0.4 -132,-0.3 -132,-0.3 -0.879 26.2-120.3-138.0 166.0 32.8 5.9 5.9 141 141 A T E -B 7 0A 0 -134,-3.0 -134,-2.0 -2,-0.3 2,-0.4 -0.936 22.6-147.5-114.2 138.1 34.4 9.2 4.7 142 142 A V E -Bd 6 163A 0 20,-2.2 22,-2.4 -2,-0.4 2,-0.4 -0.856 10.1-169.8-109.0 137.8 37.6 10.6 6.2 143 143 A G E -Bd 5 164A 0 -138,-2.7 -138,-3.5 -2,-0.4 2,-0.4 -0.988 5.7-173.8-124.1 133.1 38.4 14.3 6.6 144 144 A I E +Bd 4 165A 0 20,-2.4 22,-3.0 -2,-0.4 2,-0.3 -0.987 22.7 119.1-133.1 128.2 41.9 15.5 7.7 145 145 A S E S-B 3 0A 0 -142,-1.8 -142,-3.0 -2,-0.4 22,-0.1 -0.907 70.4 -72.8-163.2-170.0 43.0 19.0 8.5 146 146 A K S S+ 0 0 47 20,-0.5 2,-0.3 -2,-0.3 -142,-0.1 0.667 107.1 10.8 -75.1 -19.8 44.5 21.4 11.1 147 147 A N S > S- 0 0 3 -144,-0.1 4,-1.5 87,-0.1 5,-0.2 -0.924 84.0 -91.6-149.7 176.4 41.3 21.6 13.2 148 148 A K H > S+ 0 0 21 87,-0.4 4,-1.9 -2,-0.3 5,-0.2 0.884 116.2 52.6 -60.7 -42.9 37.9 20.1 13.7 149 149 A V H > S+ 0 0 7 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.952 114.4 39.6 -61.9 -49.3 36.0 22.5 11.5 150 150 A F H > S+ 0 0 0 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.686 110.8 57.5 -76.9 -16.7 38.1 21.9 8.4 151 151 A A H X S+ 0 0 0 -4,-1.5 4,-1.8 2,-0.2 -1,-0.2 0.905 111.5 45.1 -75.1 -37.9 38.5 18.2 9.0 152 152 A K H X S+ 0 0 40 -4,-1.9 4,-2.6 2,-0.2 -2,-0.2 0.926 112.3 49.4 -66.4 -47.9 34.7 18.1 8.9 153 153 A I H X S+ 0 0 4 -4,-2.5 4,-1.7 1,-0.2 -1,-0.2 0.917 107.8 56.8 -57.7 -42.0 34.5 20.3 5.8 154 154 A A H X S+ 0 0 0 -4,-1.9 4,-1.1 1,-0.2 -1,-0.2 0.908 109.2 45.0 -55.2 -45.2 37.1 18.1 4.2 155 155 A A H X S+ 0 0 0 -4,-1.8 4,-1.5 1,-0.2 3,-0.5 0.902 106.9 58.1 -67.6 -40.8 34.8 15.1 4.8 156 156 A D H < S+ 0 0 73 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.848 109.0 47.6 -58.0 -32.0 31.7 16.9 3.5 157 157 A M H < S+ 0 0 79 -4,-1.7 -1,-0.2 -5,-0.2 -2,-0.2 0.749 114.5 45.2 -80.4 -25.3 33.6 17.5 0.2 158 158 A A H < S+ 0 0 26 -4,-1.1 -2,-0.2 -3,-0.5 -1,-0.2 0.544 88.9 154.4 -98.9 -7.5 34.8 13.9 -0.1 159 159 A K < + 0 0 66 -4,-1.5 2,-0.1 3,-0.1 4,-0.0 -0.368 35.2 49.5 -77.3 156.6 31.7 11.8 0.7 160 160 A P S S- 0 0 57 0, 0.0 3,-0.1 0, 0.0 -20,-0.1 0.542 131.0 -21.1 -87.0 169.2 30.5 9.2 0.1 161 161 A N S S+ 0 0 94 1,-0.1 -20,-0.2 -2,-0.1 2,-0.2 0.870 107.4 125.8 41.0 53.2 33.2 6.6 0.8 162 162 A G - 0 0 13 -7,-0.1 -20,-2.2 2,-0.0 2,-0.3 -0.592 50.2-147.9-126.4-171.7 36.0 9.1 0.4 163 163 A I E +d 142 0A 30 -22,-0.2 2,-0.4 -2,-0.2 -20,-0.2 -0.857 19.4 176.7-162.2 123.2 39.0 10.6 2.1 164 164 A K E -d 143 0A 55 -22,-2.4 -20,-2.4 -2,-0.3 2,-0.4 -0.991 16.9-154.6-138.4 144.4 40.4 14.1 1.9 165 165 A V E -d 144 0A 30 -2,-0.4 2,-0.6 -22,-0.2 -20,-0.2 -0.940 3.6-161.2-116.2 134.1 43.1 16.2 3.3 166 166 A I - 0 0 0 -22,-3.0 -20,-0.5 -2,-0.4 -12,-0.1 -0.914 19.4-163.7-115.6 99.3 43.0 20.0 3.6 167 167 A D > - 0 0 66 -2,-0.6 4,-2.0 -22,-0.1 5,-0.2 -0.178 37.2 -90.1 -75.9 174.1 46.5 21.3 4.0 168 168 A D H > S+ 0 0 89 1,-0.2 4,-1.7 2,-0.2 5,-0.1 0.867 126.1 50.6 -54.0 -43.4 47.5 24.7 5.2 169 169 A E H > S+ 0 0 153 1,-0.2 4,-1.9 2,-0.2 3,-0.2 0.953 111.4 47.8 -63.3 -46.7 47.6 26.2 1.8 170 170 A E H > S+ 0 0 33 1,-0.2 4,-2.8 2,-0.2 -1,-0.2 0.806 105.6 59.7 -64.4 -27.5 44.2 24.9 0.9 171 171 A V H X S+ 0 0 0 -4,-2.0 4,-1.8 1,-0.2 -1,-0.2 0.928 106.3 47.9 -64.8 -41.3 42.9 26.2 4.2 172 172 A K H X S+ 0 0 133 -4,-1.7 4,-1.1 -3,-0.2 -2,-0.2 0.879 111.8 49.6 -66.0 -37.2 43.9 29.7 3.1 173 173 A R H X S+ 0 0 89 -4,-1.9 4,-3.3 1,-0.2 3,-0.4 0.939 110.0 50.6 -67.1 -45.3 42.2 29.2 -0.3 174 174 A L H X S+ 0 0 6 -4,-2.8 4,-2.6 1,-0.2 28,-0.4 0.824 103.4 57.7 -62.2 -34.6 39.0 28.0 1.3 175 175 A I H < S+ 0 0 12 -4,-1.8 28,-2.7 1,-0.2 29,-0.3 0.870 116.6 37.9 -62.9 -33.0 38.8 31.0 3.7 176 176 A R H < S+ 0 0 135 -4,-1.1 -2,-0.2 -3,-0.4 -1,-0.2 0.892 133.8 21.1 -84.4 -43.5 38.9 33.1 0.5 177 177 A E H < S+ 0 0 95 -4,-3.3 -3,-0.2 -5,-0.1 -2,-0.2 0.727 87.9 106.8-102.0 -26.8 36.7 30.8 -1.7 178 178 A L S < S- 0 0 21 -4,-2.6 24,-0.6 -5,-0.2 2,-0.3 -0.386 77.4-110.2 -62.8 128.6 34.5 28.5 0.3 179 179 A D B > -H 201 0C 78 1,-0.2 3,-3.3 -2,-0.2 4,-0.2 -0.414 24.0-138.9 -57.9 115.1 30.8 29.4 0.4 180 180 A I G > S+ 0 0 4 20,-2.2 3,-1.5 -2,-0.3 -1,-0.2 0.726 100.6 69.6 -51.5 -22.4 30.3 30.5 4.0 181 181 A A G 3 S+ 0 0 39 19,-0.3 -1,-0.3 1,-0.3 5,-0.2 0.777 92.1 58.7 -67.7 -25.2 27.0 28.6 3.9 182 182 A D G < S+ 0 0 99 -3,-3.3 -1,-0.3 2,-0.1 -2,-0.2 0.422 81.1 109.8 -84.7 3.7 29.0 25.4 3.8 183 183 A V S X S- 0 0 2 -3,-1.5 3,-2.1 -4,-0.2 -33,-0.1 -0.658 83.4-104.2 -80.7 125.8 30.7 26.3 7.1 184 184 A P T 3 S+ 0 0 25 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.190 107.3 28.4 -49.0 136.6 29.6 24.0 9.9 185 185 A G T 3 S+ 0 0 50 1,-0.2 2,-0.7 -4,-0.1 5,-0.1 0.357 91.9 109.3 92.9 -6.2 27.1 25.9 12.2 186 186 A I < + 0 0 15 -3,-2.1 -1,-0.2 -5,-0.2 2,-0.1 -0.905 46.0 175.8-106.0 107.2 25.8 28.2 9.5 187 187 A G > - 0 0 40 -2,-0.7 4,-3.5 -3,-0.1 5,-0.3 -0.406 49.2 -81.1 -99.5-177.7 22.2 27.2 8.7 188 188 A N H > S+ 0 0 146 1,-0.2 4,-3.2 2,-0.2 5,-0.2 0.926 127.5 51.4 -49.0 -55.2 19.8 28.8 6.3 189 189 A I H > S+ 0 0 131 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.903 117.1 38.2 -52.3 -47.9 18.7 31.5 8.8 190 190 A T H > S+ 0 0 21 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.923 114.5 55.0 -71.0 -42.1 22.3 32.6 9.5 191 191 A A H X S+ 0 0 21 -4,-3.5 4,-2.3 1,-0.2 -2,-0.2 0.908 108.0 50.7 -55.5 -42.6 23.4 32.1 5.9 192 192 A E H X S+ 0 0 90 -4,-3.2 4,-2.1 -5,-0.3 -1,-0.2 0.947 108.7 49.9 -61.8 -48.6 20.6 34.5 4.9 193 193 A K H < S+ 0 0 82 -4,-1.8 4,-0.4 -5,-0.2 -1,-0.2 0.882 113.3 47.9 -57.1 -39.1 21.6 37.1 7.4 194 194 A L H ><>S+ 0 0 0 -4,-2.4 5,-2.1 1,-0.2 3,-0.8 0.847 107.4 54.0 -71.5 -36.0 25.2 36.9 6.1 195 195 A K H ><5S+ 0 0 137 -4,-2.3 3,-1.7 1,-0.2 -1,-0.2 0.884 104.3 57.9 -64.8 -36.4 24.2 37.1 2.5 196 196 A K T 3<5S+ 0 0 166 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.644 103.5 51.8 -67.8 -16.7 22.4 40.3 3.3 197 197 A L T < 5S- 0 0 40 -3,-0.8 -1,-0.3 -4,-0.4 -2,-0.2 0.262 121.7-107.0-101.7 9.3 25.6 41.8 4.6 198 198 A G T < 5S+ 0 0 47 -3,-1.7 2,-0.9 1,-0.2 -3,-0.2 0.505 76.8 142.7 77.4 3.4 27.4 40.9 1.4 199 199 A I < + 0 0 4 -5,-2.1 -1,-0.2 -6,-0.2 -2,-0.2 -0.680 3.4 142.5 -83.0 105.0 29.2 38.2 3.4 200 200 A N + 0 0 75 -2,-0.9 -20,-2.2 1,-0.1 2,-0.3 0.465 63.1 42.0-117.9 -9.8 29.6 35.2 1.1 201 201 A K B >> S-H 179 0C 66 -22,-0.2 3,-0.8 -3,-0.2 4,-0.5 -0.956 81.5-114.8-138.0 156.3 33.0 34.0 2.2 202 202 A L G >4 S+ 0 0 0 -24,-0.6 3,-2.2 -28,-0.4 4,-0.3 0.942 114.2 58.7 -55.7 -49.0 34.8 33.5 5.5 203 203 A V G >4 S+ 0 0 50 -28,-2.7 3,-1.8 1,-0.3 4,-0.5 0.813 93.7 68.5 -52.7 -30.4 37.4 36.2 4.6 204 204 A D G X> S+ 0 0 47 -3,-0.8 4,-0.9 -29,-0.3 3,-0.8 0.764 84.5 68.7 -62.7 -25.1 34.6 38.7 4.2 205 205 A T G << S+ 0 0 3 -3,-2.2 -1,-0.3 -4,-0.5 -2,-0.2 0.640 92.0 64.5 -69.5 -10.4 33.9 38.7 8.0 206 206 A L G <4 S+ 0 0 79 -3,-1.8 -1,-0.2 -4,-0.3 -2,-0.2 0.829 101.5 44.9 -81.4 -32.1 37.3 40.4 8.4 207 207 A S T <4 S+ 0 0 106 -3,-0.8 2,-0.2 -4,-0.5 -2,-0.2 0.666 95.7 88.5 -87.4 -16.1 36.4 43.6 6.5 208 208 A I S < S- 0 0 29 -4,-0.9 2,-0.1 1,-0.1 5,-0.0 -0.593 91.9 -99.5 -84.1 143.3 33.0 44.1 8.2 209 209 A E >> - 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