==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=23-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE/DNA 19-APR-96 7ICT . COMPND 2 MOLECULE: DNA (5'-D(*CP*AP*TP*CP*TP*GP*T)-3'); . SOURCE 2 SYNTHETIC: YES; . AUTHOR H.PELLETIER,M.R.SAWAYA . 327 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17880.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 227 69.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 8 2.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 27 8.3 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 . 2 0.6 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 6.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 38 11.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 121 37.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 1.8 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 2 1 1 3 1 1 0 2 1 0 0 2 0 1 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 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 PARALLEL BRIDGES PER LADDER . 0 1 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 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 2 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 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 9 A E 0 0 218 0, 0.0 38,-0.1 0, 0.0 39,-0.1 0.000 360.0 360.0 360.0 -6.6 67.2 58.1 56.9 2 10 A T + 0 0 118 37,-0.1 4,-0.2 3,-0.0 37,-0.0 0.143 360.0 82.9-178.2 -6.3 66.9 59.1 60.5 3 11 A L S S+ 0 0 56 1,-0.2 42,-0.3 36,-0.1 4,-0.1 0.651 113.5 19.8 -88.6 -6.5 64.8 62.1 60.4 4 12 A N S > S+ 0 0 10 40,-0.1 4,-3.0 35,-0.1 5,-0.2 0.167 86.5 127.3-143.8 19.7 61.8 60.0 60.4 5 13 A G H > S+ 0 0 22 2,-0.2 4,-3.6 1,-0.2 5,-0.2 0.834 74.1 47.3 -43.6 -56.0 63.2 56.7 61.7 6 14 A G H > S+ 0 0 36 2,-0.2 4,-4.0 1,-0.2 5,-0.3 0.967 111.7 52.5 -55.6 -54.7 60.7 56.1 64.4 7 15 A I H > S+ 0 0 9 1,-0.3 4,-1.9 2,-0.2 -2,-0.2 0.887 114.0 42.4 -49.0 -48.1 57.9 56.8 62.1 8 16 A T H X S+ 0 0 20 -4,-3.0 4,-2.1 1,-0.2 -1,-0.3 0.897 115.3 49.3 -69.8 -38.0 59.1 54.4 59.7 9 17 A D H X S+ 0 0 98 -4,-3.6 4,-2.3 -5,-0.2 -2,-0.2 0.941 109.5 48.8 -66.3 -43.5 59.9 51.9 62.2 10 18 A M H X S+ 0 0 3 -4,-4.0 4,-2.6 1,-0.2 -1,-0.2 0.932 111.6 52.5 -55.8 -47.2 56.7 51.9 64.1 11 19 A L H X S+ 0 0 0 -4,-1.9 4,-2.9 -5,-0.3 -1,-0.2 0.840 106.4 52.8 -54.0 -45.9 54.9 51.6 60.7 12 20 A T H X S+ 0 0 61 -4,-2.1 4,-2.8 2,-0.2 -1,-0.3 0.917 109.1 49.1 -61.8 -41.7 57.0 48.7 59.8 13 21 A E H X S+ 0 0 74 -4,-2.3 4,-2.4 1,-0.2 -2,-0.2 0.949 113.2 48.9 -59.1 -48.2 56.0 46.9 63.2 14 22 A L H X S+ 0 0 0 -4,-2.6 4,-1.6 2,-0.2 -1,-0.2 0.911 111.2 48.2 -56.4 -48.2 52.4 47.7 62.4 15 23 A A H >X S+ 0 0 3 -4,-2.9 4,-1.8 1,-0.2 3,-0.7 0.966 109.8 52.2 -59.2 -54.7 52.6 46.4 58.9 16 24 A N H 3X S+ 0 0 81 -4,-2.8 4,-2.7 1,-0.3 5,-0.3 0.885 107.5 52.3 -49.3 -46.4 54.3 43.2 59.8 17 25 A F H 3X>S+ 0 0 38 -4,-2.4 4,-2.1 -5,-0.2 5,-1.9 0.900 104.5 54.5 -62.2 -37.3 51.7 42.5 62.3 18 26 A E H <<5S+ 0 0 7 -4,-1.6 -1,-0.2 -3,-0.7 7,-0.2 0.955 114.7 41.7 -59.6 -46.8 48.8 42.9 60.0 19 27 A K H <5S+ 0 0 85 -4,-1.8 -2,-0.2 5,-0.2 -1,-0.2 0.919 122.4 35.2 -66.0 -53.4 50.2 40.5 57.7 20 28 A N H <5S+ 0 0 22 -4,-2.7 -3,-0.2 -5,-0.2 -2,-0.2 0.863 131.5 23.5 -72.5 -44.8 51.5 37.8 60.1 21 29 A V T <5S+ 0 0 33 -4,-2.1 -3,-0.2 -5,-0.3 -2,-0.1 0.869 129.5 33.7 -90.7 -52.7 48.9 37.9 62.8 22 30 A S S + 0 0 25 1,-0.2 4,-5.9 -6,-0.2 5,-0.3 0.010 11.3 157.7 -30.1 48.0 45.4 42.2 56.7 25 33 A I H > S+ 0 0 87 -2,-2.1 4,-2.3 1,-0.2 -1,-0.2 0.802 77.2 50.8 -51.9 -30.1 47.4 42.3 53.5 26 34 A H H > S+ 0 0 152 2,-0.2 4,-3.2 3,-0.2 -1,-0.2 0.985 115.6 40.7 -72.2 -48.7 45.8 45.5 52.5 27 35 A K H > S+ 0 0 111 1,-0.3 4,-3.2 2,-0.3 -2,-0.2 0.890 114.8 54.8 -58.1 -45.3 46.5 47.1 55.8 28 36 A Y H X S+ 0 0 32 -4,-5.9 4,-1.6 1,-0.2 -1,-0.3 0.921 109.3 43.3 -60.4 -43.1 49.7 45.5 55.6 29 37 A N H X S+ 0 0 79 -4,-2.3 4,-2.2 -5,-0.3 5,-0.3 0.929 109.1 62.9 -67.7 -35.5 50.4 47.0 52.3 30 38 A A H >X S+ 0 0 29 -4,-3.2 4,-1.7 1,-0.2 3,-0.5 0.955 102.9 46.3 -51.5 -58.5 49.1 50.2 53.8 31 39 A Y H 3X S+ 0 0 11 -4,-3.2 4,-2.4 1,-0.2 -1,-0.2 0.860 110.1 59.6 -52.9 -37.1 51.8 50.4 56.4 32 40 A R H 3X S+ 0 0 144 -4,-1.6 4,-2.2 -5,-0.2 -1,-0.2 0.852 105.3 39.3 -61.7 -44.7 54.3 49.6 53.7 33 41 A K H X S+ 0 0 30 -4,-3.9 4,-1.9 1,-0.2 3,-1.5 0.969 117.1 46.2 -62.8 -50.5 57.1 57.5 51.3 38 46 A I H 3< S+ 0 0 0 -4,-3.3 -1,-0.2 1,-0.3 -2,-0.2 0.844 106.6 64.6 -56.7 -32.4 57.8 58.9 54.8 39 47 A A H 3< S+ 0 0 49 -4,-3.1 -1,-0.3 -5,-0.4 -2,-0.2 0.752 107.9 38.0 -57.0 -34.4 61.1 57.2 54.4 40 48 A K H << S+ 0 0 173 -3,-1.5 -1,-0.2 -4,-1.1 -2,-0.2 0.818 86.6 117.9 -87.1 -38.7 62.0 59.5 51.5 41 49 A Y < - 0 0 42 -4,-1.9 4,-0.2 -5,-0.2 -38,-0.1 -0.170 58.8-145.4 -48.1 116.5 60.5 62.6 52.8 42 50 A P + 0 0 80 0, 0.0 -1,-0.2 0, 0.0 2,-0.2 0.113 67.3 65.2 -63.5 -2.6 63.2 65.2 53.3 43 51 A H S S- 0 0 107 -39,-0.0 2,-0.8 -40,-0.0 -40,-0.0 -0.496 87.2 -91.2-122.8-167.3 61.8 66.9 56.4 44 52 A K - 0 0 115 -2,-0.2 2,-0.8 -40,-0.0 -40,-0.1 -0.870 38.0-133.8-108.4 106.1 61.1 66.4 60.0 45 53 A I + 0 0 6 -2,-0.8 -38,-0.1 -42,-0.3 3,-0.1 -0.396 29.9 175.0 -60.3 102.8 57.5 65.2 60.4 46 54 A K + 0 0 159 -2,-0.8 2,-0.3 1,-0.1 -1,-0.2 0.518 61.7 7.6 -88.6 -4.1 56.4 67.4 63.2 47 55 A S > - 0 0 39 1,-0.1 4,-1.4 -3,-0.0 -1,-0.1 -0.999 68.0-111.2-166.7 164.2 52.8 66.3 63.1 48 56 A G H >> S+ 0 0 0 -2,-0.3 4,-3.1 1,-0.2 3,-0.8 0.965 114.6 57.1 -66.2 -47.7 50.3 63.9 61.7 49 57 A A H 3> S+ 0 0 69 1,-0.3 4,-0.8 2,-0.2 -1,-0.2 0.832 105.8 53.7 -50.3 -36.3 48.5 66.5 59.6 50 58 A E H 34 S+ 0 0 43 2,-0.2 -1,-0.3 1,-0.2 -2,-0.2 0.826 111.1 44.3 -68.7 -37.7 51.8 67.2 58.0 51 59 A A H X< S+ 0 0 0 -4,-1.4 3,-3.6 -3,-0.8 6,-0.2 0.901 101.7 65.6 -74.8 -39.5 52.3 63.6 57.1 52 60 A K H 3< S+ 0 0 94 -4,-3.1 -1,-0.2 1,-0.3 -2,-0.2 0.781 86.5 73.4 -46.8 -35.6 48.8 63.2 55.9 53 61 A K T 3< S+ 0 0 168 -4,-0.8 -1,-0.3 -5,-0.2 -2,-0.2 0.747 87.9 83.3 -52.0 -30.1 49.8 65.6 53.2 54 62 A L S < S- 0 0 31 -3,-3.6 2,-0.3 -4,-0.2 3,-0.1 -0.351 90.4-107.2 -77.8 162.2 51.7 62.8 51.9 55 63 A P S S+ 0 0 95 0, 0.0 3,-0.1 0, 0.0 -18,-0.1 -0.612 106.0 33.5 -85.6 145.9 50.3 60.1 49.7 56 64 A G S S+ 0 0 30 -2,-0.3 2,-0.8 1,-0.2 -22,-0.2 -0.133 101.8 106.3 96.0 -34.0 49.9 56.6 51.2 57 65 A V + 0 0 10 -6,-0.2 -1,-0.2 -3,-0.1 2,-0.1 -0.704 44.8 156.7 -91.0 113.7 49.1 58.6 54.2 58 66 A G > - 0 0 28 -2,-0.8 4,-0.7 -3,-0.1 5,-0.1 -0.212 54.4 -67.1-110.1-161.9 45.6 58.8 55.3 59 67 A T H > S+ 0 0 91 1,-0.2 4,-2.0 2,-0.2 3,-0.2 0.917 119.9 48.0 -61.8 -54.6 43.6 59.5 58.3 60 68 A K H > S+ 0 0 127 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.810 113.0 47.0 -60.4 -38.1 44.4 56.4 60.5 61 69 A I H > S+ 0 0 14 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.698 107.6 56.3 -79.9 -20.7 48.1 56.6 60.2 62 70 A A H X S+ 0 0 6 -4,-0.7 4,-2.7 -3,-0.2 -2,-0.2 0.972 105.6 52.2 -70.3 -47.6 48.1 60.2 60.8 63 71 A E H X S+ 0 0 124 -4,-2.0 4,-2.2 1,-0.2 5,-0.2 0.902 111.2 47.9 -44.5 -54.8 46.4 59.5 64.0 64 72 A K H X S+ 0 0 35 -4,-1.9 4,-2.0 1,-0.2 -1,-0.2 0.914 108.8 51.9 -58.2 -50.1 49.0 57.0 64.9 65 73 A I H X S+ 0 0 0 -4,-2.4 4,-2.6 1,-0.2 -1,-0.2 0.856 109.1 53.8 -60.4 -32.7 51.9 59.3 64.0 66 74 A D H X S+ 0 0 71 -4,-2.7 4,-3.9 2,-0.2 -2,-0.2 0.993 107.9 46.1 -63.4 -57.7 50.4 61.8 66.2 67 75 A E H X S+ 0 0 70 -4,-2.2 4,-2.1 1,-0.3 6,-0.5 0.776 115.8 48.9 -51.9 -34.7 50.1 59.7 69.3 68 76 A F H < S+ 0 0 51 -4,-2.0 -1,-0.3 -5,-0.2 -2,-0.2 0.928 112.8 44.4 -75.7 -43.7 53.6 58.6 68.7 69 77 A L H < S+ 0 0 60 -4,-2.6 -2,-0.2 -5,-0.2 -3,-0.2 0.957 117.2 47.8 -62.6 -46.3 55.0 62.0 68.2 70 78 A A H < S+ 0 0 87 -4,-3.9 2,-0.4 -5,-0.2 -2,-0.2 0.855 126.1 20.4 -61.1 -42.6 53.0 63.2 71.2 71 79 A T S < S- 0 0 73 -4,-2.1 2,-4.1 2,-0.3 -1,-0.2 -0.998 87.7-111.5-134.1 126.9 54.1 60.2 73.6 72 80 A G S S+ 0 0 71 -2,-0.4 2,-0.3 -3,-0.1 -4,-0.1 0.239 94.2 37.9 -43.7 20.8 57.2 58.0 73.1 73 81 A K S S- 0 0 87 -2,-4.1 2,-0.4 -6,-0.5 -2,-0.3 -0.966 72.7-118.6-162.2 177.1 55.0 55.1 72.3 74 82 A L > - 0 0 3 -2,-0.3 4,-2.5 1,-0.1 5,-0.1 -0.983 14.3-143.9-127.3 130.8 51.9 53.6 70.7 75 83 A R H > S+ 0 0 174 -2,-0.4 4,-3.3 1,-0.2 5,-0.2 0.975 104.5 45.8 -58.3 -52.8 49.0 51.9 72.6 76 84 A K H > S+ 0 0 81 1,-0.3 4,-2.2 2,-0.2 -1,-0.2 0.870 112.0 50.6 -56.8 -41.3 48.4 49.4 69.8 77 85 A L H > S+ 0 0 1 2,-0.2 4,-2.2 1,-0.2 -1,-0.3 0.919 113.4 49.3 -65.5 -36.5 52.1 48.7 69.5 78 86 A E H X S+ 0 0 75 -4,-2.5 4,-0.9 1,-0.2 -2,-0.2 0.963 109.7 46.8 -63.7 -52.2 52.1 48.2 73.2 79 87 A K H X S+ 0 0 130 -4,-3.3 4,-1.5 1,-0.2 3,-0.3 0.847 114.1 50.2 -56.4 -40.7 49.2 45.9 73.3 80 88 A I H < S+ 0 0 22 -4,-2.2 7,-0.3 -5,-0.2 -1,-0.2 0.912 104.7 56.9 -65.0 -48.3 50.7 43.8 70.3 81 89 A R H < S+ 0 0 129 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.692 112.9 43.1 -59.9 -22.2 54.2 43.5 71.9 82 90 A Q H < S+ 0 0 139 -4,-0.9 -2,-0.2 -3,-0.3 -1,-0.1 0.957 85.2 100.5 -81.1 -75.1 52.6 41.9 74.9 83 91 A D X - 0 0 66 -4,-1.5 4,-2.0 1,-0.1 5,-0.2 0.327 61.2-147.5 -17.8 118.3 50.1 39.4 73.6 84 92 A D H > S+ 0 0 100 2,-0.2 4,-2.2 1,-0.2 5,-0.2 0.895 93.7 58.7 -67.2 -39.0 51.2 36.0 73.6 85 93 A T H > S+ 0 0 46 2,-0.2 4,-1.6 1,-0.2 3,-0.2 0.951 108.0 47.1 -54.3 -48.8 49.3 34.9 70.5 86 94 A S H > S+ 0 0 5 1,-0.3 4,-1.9 2,-0.2 3,-0.5 0.977 113.6 47.1 -58.5 -51.5 51.0 37.5 68.5 87 95 A S H X S+ 0 0 45 -4,-2.0 4,-1.0 -7,-0.3 -1,-0.3 0.781 104.4 63.2 -64.0 -22.6 54.4 36.6 69.8 88 96 A S H X S+ 0 0 14 -4,-2.2 4,-3.4 -3,-0.2 5,-0.2 0.946 104.2 45.2 -63.2 -44.0 53.8 33.0 69.2 89 97 A I H X S+ 0 0 5 -4,-1.6 4,-1.7 -3,-0.5 -2,-0.2 0.845 109.6 55.0 -64.7 -44.6 53.5 33.4 65.6 90 98 A N H < S+ 0 0 68 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.2 0.760 115.6 42.3 -66.4 -17.9 56.5 35.6 65.5 91 99 A F H >< S+ 0 0 60 -4,-1.0 3,-2.2 -5,-0.2 4,-0.3 0.929 109.9 49.0 -88.4 -54.9 58.3 32.8 67.2 92 100 A L H >< S+ 0 0 0 -4,-3.4 3,-3.1 1,-0.3 6,-0.2 0.896 102.0 69.9 -51.6 -42.7 57.2 29.7 65.5 93 101 A T T 3< S+ 0 0 43 -4,-1.7 5,-0.3 1,-0.3 -1,-0.3 0.760 81.2 73.7 -48.9 -27.4 57.9 31.5 62.3 94 102 A R T < S+ 0 0 115 -3,-2.2 2,-0.3 -4,-0.1 -1,-0.3 0.812 76.3 95.9 -64.4 -22.5 61.6 31.2 63.1 95 103 A V S X S- 0 0 3 -3,-3.1 3,-2.5 -4,-0.3 2,-0.8 -0.527 89.1-114.4 -73.7 132.8 61.5 27.6 62.2 96 104 A S T 3 S+ 0 0 40 -2,-0.3 35,-0.6 1,-0.3 36,-0.2 -0.557 106.8 32.8 -68.8 106.4 62.5 26.9 58.7 97 105 A G T 3 S+ 0 0 27 -2,-0.8 2,-0.5 1,-0.3 -1,-0.3 0.250 95.2 100.0 126.3 2.2 59.4 25.6 57.2 98 106 A I < + 0 0 11 -3,-2.5 -1,-0.3 -5,-0.3 0, 0.0 -0.976 41.9 173.4-121.8 124.0 56.8 27.6 59.2 99 107 A G > - 0 0 31 -2,-0.5 4,-2.4 -3,-0.1 5,-0.1 -0.484 54.4 -83.3-110.8-176.5 55.3 30.7 57.6 100 108 A P H > S+ 0 0 39 0, 0.0 4,-3.6 0, 0.0 5,-0.2 0.832 125.5 60.7 -59.4 -38.9 52.6 32.6 59.1 101 109 A S H > S+ 0 0 89 1,-0.2 4,-2.0 2,-0.2 5,-0.1 0.955 110.9 37.5 -54.4 -56.3 50.0 30.4 57.9 102 110 A A H > S+ 0 0 17 2,-0.2 4,-2.8 1,-0.2 5,-0.3 0.853 111.9 60.5 -63.6 -39.9 51.3 27.4 59.6 103 111 A A H X S+ 0 0 0 -4,-2.4 4,-2.0 1,-0.2 5,-0.2 0.938 105.9 48.8 -56.5 -48.5 52.2 29.5 62.7 104 112 A R H X S+ 0 0 49 -4,-3.6 4,-2.2 1,-0.2 5,-0.3 0.952 110.6 49.2 -58.3 -49.2 48.6 30.4 63.0 105 113 A K H X S+ 0 0 98 -4,-2.0 4,-1.2 1,-0.2 -1,-0.2 0.938 111.9 49.4 -55.0 -45.1 47.3 26.8 62.7 106 114 A F H X>S+ 0 0 0 -4,-2.8 5,-3.3 1,-0.2 4,-1.0 0.878 109.3 50.7 -62.2 -39.3 49.7 25.6 65.3 107 115 A V H <5S+ 0 0 4 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.854 106.8 53.4 -71.5 -32.1 48.9 28.2 67.7 108 116 A D H <5S+ 0 0 124 -4,-2.2 -1,-0.3 1,-0.3 -2,-0.2 0.795 108.3 50.8 -74.4 -18.2 45.4 27.6 67.5 109 117 A E H <5S- 0 0 109 -4,-1.2 -1,-0.3 -5,-0.3 -2,-0.2 0.747 126.0-106.4 -87.1 -13.3 46.2 24.2 68.2 110 118 A G T <5S+ 0 0 36 -4,-1.0 2,-0.7 1,-0.4 -3,-0.3 0.433 75.0 133.9 109.8 -0.4 48.2 25.3 71.1 111 119 A I < + 0 0 6 -5,-3.3 -1,-0.4 1,-0.2 -2,-0.2 -0.761 14.4 147.7 -83.2 122.7 51.7 24.8 69.9 112 120 A K + 0 0 61 -2,-0.7 2,-0.3 1,-0.1 -1,-0.2 0.309 52.3 41.4-136.2 3.0 53.5 27.9 70.9 113 121 A T S > S- 0 0 60 1,-0.1 4,-2.2 -3,-0.1 5,-0.1 -0.955 84.7 -93.2-149.8 171.4 56.9 26.8 71.6 114 122 A L H > S+ 0 0 36 -2,-0.3 4,-2.4 1,-0.2 3,-0.2 0.904 122.1 44.4 -47.9 -55.8 59.9 24.8 70.7 115 123 A E H > S+ 0 0 129 1,-0.2 4,-3.9 2,-0.2 5,-0.4 0.915 108.0 59.8 -58.8 -42.4 59.0 21.9 73.0 116 124 A D H > S+ 0 0 47 1,-0.3 4,-1.4 2,-0.2 -1,-0.2 0.898 108.2 46.4 -51.8 -41.6 55.4 22.0 71.8 117 125 A L H >< S+ 0 0 0 -4,-2.2 3,-0.9 2,-0.2 -1,-0.3 0.980 109.3 51.3 -68.8 -51.2 56.7 21.4 68.5 118 126 A R H >< S+ 0 0 129 -4,-2.4 3,-1.4 1,-0.3 -2,-0.2 0.864 110.3 51.2 -50.6 -42.8 59.0 18.6 69.5 119 127 A K H 3< S+ 0 0 158 -4,-3.9 3,-0.3 1,-0.3 -1,-0.3 0.778 114.7 45.6 -65.6 -28.5 56.0 17.0 71.2 120 128 A N T X< + 0 0 45 -4,-1.4 3,-1.2 -3,-0.9 4,-0.4 -0.077 65.7 135.1-110.1 41.6 54.1 17.4 68.1 121 129 A E G X + 0 0 93 -3,-1.4 3,-1.2 1,-0.3 -1,-0.2 0.763 67.5 68.2 -55.3 -25.2 56.6 16.2 65.6 122 130 A D G 3 S+ 0 0 116 -3,-0.3 -1,-0.3 1,-0.3 -2,-0.1 0.914 96.3 54.3 -60.8 -42.4 53.9 14.3 64.0 123 131 A K G < S+ 0 0 92 -3,-1.2 2,-0.3 -6,-0.2 -1,-0.3 0.508 96.4 81.1 -70.7 -4.2 52.2 17.4 62.9 124 132 A L S < S- 0 0 6 -3,-1.2 2,-0.2 -4,-0.4 -27,-0.0 -0.712 71.7-135.7-100.3 154.1 55.3 18.8 61.2 125 133 A N > - 0 0 75 -2,-0.3 4,-3.3 -28,-0.1 5,-0.2 -0.504 38.2 -83.6-100.7 176.3 56.4 17.9 57.7 126 134 A H H > S+ 0 0 105 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.862 127.3 44.4 -47.2 -55.8 59.9 17.1 56.4 127 135 A H H > S+ 0 0 47 1,-0.2 4,-3.1 2,-0.2 -1,-0.2 0.976 118.1 47.3 -54.4 -53.4 61.2 20.7 55.9 128 136 A Q H > S+ 0 0 11 -31,-0.3 4,-3.0 1,-0.2 -1,-0.2 0.868 109.3 53.8 -53.1 -43.3 59.7 21.7 59.3 129 137 A R H X S+ 0 0 104 -4,-3.3 4,-2.7 2,-0.2 -1,-0.2 0.956 110.8 44.9 -61.8 -47.5 61.1 18.7 60.9 130 138 A I H X S+ 0 0 9 -4,-2.5 4,-1.3 -5,-0.2 -2,-0.2 0.940 111.4 54.0 -62.7 -41.5 64.5 19.6 59.7 131 139 A G H >< S+ 0 0 1 -4,-3.1 3,-1.0 -35,-0.6 -2,-0.2 0.947 111.1 45.6 -54.3 -52.4 64.0 23.2 60.7 132 140 A L H >< S+ 0 0 8 -4,-3.0 3,-1.8 1,-0.3 4,-0.3 0.950 109.2 55.9 -56.2 -50.8 63.1 22.2 64.2 133 141 A K H 3< S+ 0 0 130 -4,-2.7 -1,-0.3 1,-0.3 -2,-0.2 0.689 120.6 29.0 -57.6 -22.0 66.0 19.8 64.4 134 142 A Y T S+ 0 0 22 -3,-1.8 4,-0.8 2,-0.2 -2,-0.1 0.913 80.2 43.4 -47.9 -51.0 66.8 25.5 64.9 136 144 A G H >> S+ 0 0 38 -4,-0.3 3,-3.1 2,-0.2 4,-0.9 0.984 113.3 47.3 -59.4 -68.7 69.9 26.6 66.7 137 145 A D H >4 S+ 0 0 34 1,-0.3 3,-1.0 2,-0.2 -2,-0.2 0.839 109.5 59.7 -40.7 -44.1 72.5 25.8 63.9 138 146 A F H 3< S+ 0 0 43 -4,-3.0 -1,-0.3 1,-0.3 -2,-0.2 0.733 101.8 49.7 -60.9 -26.6 70.2 27.6 61.5 139 147 A E H << S+ 0 0 100 -3,-3.1 2,-0.3 -4,-0.8 -1,-0.3 0.641 90.4 102.0 -87.8 -13.7 70.3 30.8 63.4 140 148 A K S << S- 0 0 105 -3,-1.0 -4,-0.0 -4,-0.9 -3,-0.0 -0.534 73.7-125.4 -73.6 124.9 74.1 30.8 63.5 141 149 A R - 0 0 149 -2,-0.3 40,-0.2 1,-0.1 -1,-0.1 -0.107 23.2-116.7 -62.9 166.3 75.9 33.0 61.1 142 150 A I E -A 180 0A 0 38,-3.5 38,-4.0 40,-0.1 2,-0.2 -0.937 21.9-140.6-111.8 113.9 78.5 31.4 58.9 143 151 A P E >> -A 179 0A 37 0, 0.0 3,-2.9 0, 0.0 4,-1.8 -0.530 16.8-126.5 -72.0 136.5 81.9 32.7 59.5 144 152 A R H 3> S+ 0 0 61 34,-4.5 4,-2.3 1,-0.3 5,-0.3 0.845 109.0 68.0 -53.5 -32.6 83.9 33.2 56.2 145 153 A E H 34 S+ 0 0 120 33,-0.4 4,-0.5 1,-0.2 -1,-0.3 0.737 107.9 39.2 -57.7 -21.8 86.6 31.1 57.6 146 154 A E H <> S+ 0 0 25 -3,-2.9 4,-2.7 2,-0.2 -1,-0.2 0.817 108.5 61.4 -89.8 -40.8 84.1 28.2 57.4 147 155 A M H X S+ 0 0 0 -4,-1.8 4,-3.3 1,-0.2 5,-0.3 0.864 103.0 52.0 -48.7 -47.6 82.7 29.4 54.1 148 156 A L H X S+ 0 0 76 -4,-2.3 4,-1.3 2,-0.2 -1,-0.2 0.845 109.5 48.6 -61.4 -41.5 86.3 28.9 52.5 149 157 A Q H > S+ 0 0 64 -4,-0.5 4,-1.7 -5,-0.3 -1,-0.2 0.923 114.2 48.6 -64.8 -42.6 86.5 25.4 53.8 150 158 A M H X S+ 0 0 2 -4,-2.7 4,-2.6 1,-0.2 3,-0.5 0.963 111.4 45.8 -55.6 -61.9 83.0 24.8 52.4 151 159 A Q H X S+ 0 0 59 -4,-3.3 4,-2.0 1,-0.3 -1,-0.2 0.813 107.6 62.2 -55.7 -32.7 83.6 26.2 49.0 152 160 A D H X S+ 0 0 85 -4,-1.3 4,-1.0 -5,-0.3 -1,-0.3 0.943 108.2 40.0 -65.2 -41.2 86.7 24.2 49.0 153 161 A I H >X S+ 0 0 42 -4,-1.7 4,-1.9 -3,-0.5 3,-0.6 0.980 113.5 51.0 -71.6 -50.8 84.9 21.0 49.2 154 162 A V H 3X S+ 0 0 1 -4,-2.6 4,-2.3 1,-0.3 5,-0.2 0.884 110.1 50.3 -50.4 -49.3 82.1 21.8 46.9 155 163 A L H 3X S+ 0 0 58 -4,-2.0 4,-0.9 1,-0.2 -1,-0.3 0.728 109.0 52.1 -63.5 -30.2 84.3 22.9 44.1 156 164 A N H < - 0 0 52 -4,-1.5 3,-2.3 -3,-0.4 -1,-0.3 -0.690 53.3-148.9-167.0 110.2 82.6 16.6 35.4 163 171 A S T 3 S+ 0 0 80 1,-0.3 -1,-0.1 -3,-0.2 -3,-0.1 0.642 98.5 66.2 -45.7 -27.6 85.4 18.9 34.4 164 172 A E T 3 S+ 0 0 104 -5,-0.1 -1,-0.3 -3,-0.1 2,-0.2 0.175 75.5 114.8 -82.7 9.2 83.0 20.9 32.5 165 173 A Y < - 0 0 18 -3,-2.3 2,-0.5 -7,-0.2 24,-0.2 -0.613 50.7-157.2 -84.4 149.5 81.1 22.0 35.5 166 174 A I E +B 188 0B 48 22,-2.5 22,-1.5 -2,-0.2 2,-0.4 -0.944 15.3 179.5-131.5 107.7 81.1 25.6 36.4 167 175 A A E +B 187 0B 22 -2,-0.5 2,-0.4 20,-0.2 20,-0.2 -0.888 5.9 178.2-115.4 141.5 80.4 26.4 40.0 168 176 A T E -B 186 0B 30 18,-2.0 18,-4.2 -2,-0.4 2,-0.9 -0.999 22.8-142.2-140.6 139.4 80.2 29.7 41.7 169 177 A V E +B 185 0B 10 -2,-0.4 16,-0.2 16,-0.2 -2,-0.0 -0.859 30.3 179.9-105.3 104.3 79.5 30.7 45.2 170 178 A C + 0 0 1 14,-1.8 4,-0.4 -2,-0.9 3,-0.4 0.351 33.0 81.5 -79.9-144.7 77.5 33.8 45.1 171 179 A G S >> S- 0 0 23 93,-0.6 3,-1.3 1,-0.2 4,-0.5 -0.053 104.7 -52.8 70.3-178.8 76.1 35.8 47.9 172 180 A S T 34>S+ 0 0 23 1,-0.3 5,-1.5 2,-0.3 4,-0.4 0.624 126.8 79.4 -65.8 -20.7 78.1 38.4 50.0 173 181 A F T 345S+ 0 0 15 -3,-0.4 3,-0.3 1,-0.3 -1,-0.3 0.852 100.1 44.7 -50.9 -35.8 80.7 35.6 50.6 174 182 A R T <45S+ 0 0 55 -3,-1.3 -1,-0.3 -4,-0.4 -2,-0.3 0.783 105.2 55.9 -72.7 -45.1 81.6 36.8 47.1 175 183 A R T <5S- 0 0 71 -4,-0.5 -1,-0.2 90,-0.2 -2,-0.2 0.298 128.4 -96.9 -76.6 6.7 81.3 40.6 47.8 176 184 A G T 5 + 0 0 35 -4,-0.4 -3,-0.2 -3,-0.3 -2,-0.1 0.086 63.8 168.8 98.9 -15.2 83.9 39.8 50.6 177 185 A A < - 0 0 34 -5,-1.5 -1,-0.2 1,-0.1 3,-0.1 0.191 37.0-136.3 -32.4 142.3 81.7 39.5 53.8 178 186 A E S S+ 0 0 134 1,-0.2 -34,-4.5 -35,-0.1 -33,-0.4 0.700 85.8 10.2 -75.9 -24.3 83.2 38.1 57.0 179 187 A S E -A 143 0A 35 -36,-0.3 2,-0.3 -35,-0.1 -1,-0.2 -0.990 67.3-162.2-152.9 159.6 80.3 36.0 57.6 180 188 A S E -A 142 0A 5 -38,-4.0 -38,-3.5 -2,-0.3 3,-0.1 -0.957 26.2-128.8-146.6 163.8 77.2 34.8 56.0 181 189 A G S S- 0 0 33 -2,-0.3 65,-0.4 -40,-0.2 2,-0.2 0.844 85.0 -11.5 -73.7 -47.3 73.8 33.3 56.6 182 190 A D S S- 0 0 79 63,-0.1 2,-0.6 -40,-0.1 65,-0.2 -0.924 70.8 -97.2-149.9 169.4 73.8 30.3 54.1 183 191 A M E - c 0 247B 2 63,-2.4 65,-2.8 -2,-0.2 2,-0.6 -0.871 31.5-168.9-103.3 117.4 75.8 28.9 51.1 184 192 A D E - c 0 248B 27 -2,-0.6 -14,-1.8 -14,-0.2 2,-0.5 -0.885 3.7-169.7-101.7 107.2 74.5 29.8 47.5 185 193 A V E -Bc 169 249B 2 63,-3.7 65,-1.8 -2,-0.6 2,-0.6 -0.820 9.5-153.3-101.8 129.2 76.0 27.9 44.7 186 194 A L E -Bc 168 250B 4 -18,-4.2 -18,-2.0 -2,-0.5 2,-0.4 -0.827 22.8-166.1 -95.5 122.8 75.4 28.9 41.0 187 195 A L E +Bc 167 251B 1 63,-3.0 65,-3.0 -2,-0.6 2,-0.3 -0.925 17.5 151.8-124.3 144.6 75.7 26.0 38.8 188 196 A T E -Bc 166 252B 0 -22,-1.5 -22,-2.5 -2,-0.4 5,-0.1 -0.988 19.0-160.6-159.8 160.0 76.1 25.3 35.0 189 197 A H E > - c 0 253B 13 63,-0.6 3,-1.3 -2,-0.3 65,-0.8 -0.982 31.3-119.3-146.2 144.5 77.4 23.1 32.4 190 198 A P T 3 S+ 0 0 60 0, 0.0 2,-0.1 0, 0.0 65,-0.1 0.860 111.1 61.5 -52.5 -45.7 78.1 23.6 28.7 191 199 A S T 3 S+ 0 0 56 -27,-0.1 2,-0.4 1,-0.1 11,-0.1 0.158 97.0 76.9 -73.3 25.8 75.8 21.0 27.6 192 200 A F < + 0 0 17 -3,-1.3 62,-3.9 -2,-0.1 63,-0.4 -0.894 59.8 135.0-143.2 115.5 72.9 23.0 29.3 193 201 A T - 0 0 34 -2,-0.4 5,-0.1 60,-0.3 -5,-0.0 -0.990 62.9 -68.2-159.9 166.7 71.3 26.0 27.9 194 202 A S S S+ 0 0 69 -2,-0.3 -1,-0.0 1,-0.3 -2,-0.0 0.547 129.5 16.9 -15.0 -46.1 68.3 28.1 27.1 195 203 A E S S+ 0 0 159 2,-0.1 -1,-0.3 3,-0.0 3,-0.1 0.851 95.1 108.2-103.6 -45.0 67.1 25.8 24.4 196 204 A S S S- 0 0 37 1,-0.2 2,-1.1 3,-0.0 -3,-0.1 -0.030 82.0-114.1 -36.4 119.2 68.9 22.6 25.2 197 205 A T - 0 0 134 -5,-0.1 -1,-0.2 1,-0.0 -3,-0.1 -0.579 53.7 -71.9 -77.8 107.2 66.2 20.5 26.4 198 206 A K - 0 0 94 -2,-1.1 -5,-0.1 1,-0.1 -1,-0.0 0.481 32.8-159.8 38.2 179.4 66.8 19.8 30.0 199 207 A Q + 0 0 84 25,-0.1 4,-0.4 -7,-0.1 -1,-0.1 -0.189 13.0 173.3 166.6 83.8 69.3 17.6 31.8 200 208 A P S >> S+ 0 0 45 0, 0.0 4,-2.5 0, 0.0 3,-0.7 0.772 81.4 63.6 -72.3 -31.9 68.2 16.8 35.4 201 209 A K H 3> S+ 0 0 118 1,-0.2 4,-2.0 2,-0.2 5,-0.3 0.864 88.4 74.1 -60.5 -32.8 71.0 14.4 35.8 202 210 A L H 34 S+ 0 0 3 1,-0.2 4,-0.5 2,-0.2 -1,-0.2 0.864 111.2 23.8 -44.3 -52.1 73.1 17.6 35.4 203 211 A L H X> S+ 0 0 0 -3,-0.7 4,-1.9 -4,-0.4 3,-0.7 0.887 118.8 60.2 -81.8 -46.5 72.1 18.7 39.0 204 212 A H H 3X S+ 0 0 43 -4,-2.5 4,-1.0 1,-0.2 -2,-0.2 0.681 98.8 61.1 -56.3 -22.8 71.2 15.3 40.5 205 213 A Q H 3X S+ 0 0 74 -4,-2.0 4,-1.6 -5,-0.3 -1,-0.2 0.933 106.0 40.9 -75.0 -44.3 74.7 14.1 40.0 206 214 A V H <> S+ 0 0 2 -3,-0.7 4,-3.1 -4,-0.5 5,-0.2 0.915 111.1 55.7 -68.9 -44.7 76.5 16.6 42.0 207 215 A V H X S+ 0 0 1 -4,-1.9 4,-2.1 1,-0.3 -1,-0.2 0.896 108.7 51.6 -52.6 -40.0 74.1 16.6 44.8 208 216 A E H X S+ 0 0 118 -4,-1.0 4,-2.4 -5,-0.3 -1,-0.3 0.912 107.2 50.1 -64.3 -45.0 74.7 13.0 44.9 209 217 A Q H X S+ 0 0 28 -4,-1.6 4,-2.2 1,-0.2 5,-0.2 0.948 108.0 54.7 -60.1 -44.9 78.4 13.3 45.1 210 218 A L H <>S+ 0 0 0 -4,-3.1 5,-3.1 1,-0.2 6,-0.7 0.927 110.6 44.3 -55.6 -47.0 78.2 15.7 47.9 211 219 A Q H ><5S+ 0 0 68 -4,-2.1 3,-1.2 3,-0.2 -1,-0.2 0.893 104.8 65.8 -64.9 -37.4 76.1 13.3 49.9 212 220 A K H 3<5S+ 0 0 144 -4,-2.4 -2,-0.2 1,-0.3 -1,-0.2 0.933 109.3 35.8 -48.6 -55.8 78.4 10.6 49.0 213 221 A V T 3<5S- 0 0 55 -4,-2.2 -1,-0.3 -5,-0.1 -2,-0.2 0.450 120.2-112.7 -79.9 -0.1 81.2 12.3 50.8 214 222 A H T < 5S+ 0 0 143 -3,-1.2 -3,-0.2 -4,-0.5 18,-0.2 0.840 80.9 124.2 75.3 33.6 78.7 13.4 53.5 215 223 A F 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