==== 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 15-DEC-95 8ICP . COMPND 2 MOLECULE: DNA (5'-D(*CP*AP*TP*TP*AP*GP*AP*A)-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) . 17921.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 231 70.6 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 . 25 7.6 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 . 1 0.3 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 . 40 12.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 124 37.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 1.5 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 . 1 1 0 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 . 1 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 0 214 0, 0.0 39,-0.1 0, 0.0 38,-0.1 0.000 360.0 360.0 360.0 -30.8 67.2 58.1 56.7 2 10 A T + 0 0 122 37,-0.1 4,-0.3 3,-0.0 37,-0.0 0.384 360.0 57.4-146.1 -27.8 67.5 59.4 60.3 3 11 A L S S+ 0 0 58 1,-0.2 42,-0.3 2,-0.1 4,-0.2 0.830 115.7 39.0 -80.1 -31.8 65.1 62.3 60.4 4 12 A N S >> S+ 0 0 6 35,-0.2 4,-1.6 1,-0.1 3,-0.6 0.668 89.5 113.6 -91.5 -11.2 62.4 60.1 59.3 5 13 A G H 3> S+ 0 0 14 1,-0.2 4,-4.0 2,-0.2 3,-0.2 0.661 71.7 39.6 -17.4 -85.8 63.5 57.1 61.4 6 14 A G H 3> S+ 0 0 38 -4,-0.3 4,-5.1 1,-0.2 5,-0.4 0.876 116.4 57.4 -44.7 -44.6 61.0 56.4 64.2 7 15 A I H <> S+ 0 0 8 -3,-0.6 4,-1.8 2,-0.3 -1,-0.2 0.926 112.8 33.5 -52.3 -60.4 58.3 57.2 61.8 8 16 A T H X S+ 0 0 23 -4,-1.6 4,-3.6 1,-0.2 5,-0.3 0.887 119.7 58.3 -63.0 -42.1 59.1 54.7 59.2 9 17 A D H X S+ 0 0 100 -4,-4.0 4,-2.4 -5,-0.3 -2,-0.3 0.912 108.7 38.8 -54.6 -51.5 60.2 52.6 62.0 10 18 A M H X S+ 0 0 8 -4,-5.1 4,-2.2 1,-0.2 -1,-0.2 0.826 117.7 56.8 -66.7 -31.1 57.0 52.4 63.9 11 19 A L H X S+ 0 0 1 -4,-1.8 4,-2.4 -5,-0.4 -2,-0.2 0.888 108.4 41.9 -63.3 -51.3 55.4 52.2 60.4 12 20 A T H X S+ 0 0 52 -4,-3.6 4,-2.3 2,-0.2 5,-0.3 0.928 113.2 55.8 -67.3 -40.5 57.2 49.2 59.3 13 21 A E H X S+ 0 0 73 -4,-2.4 4,-1.3 -5,-0.3 -2,-0.2 0.943 111.4 45.1 -49.6 -52.0 56.7 47.7 62.8 14 22 A L H X S+ 0 0 0 -4,-2.2 4,-1.5 2,-0.2 -1,-0.2 0.869 110.8 50.2 -56.8 -51.8 53.0 48.3 62.3 15 23 A A H >X S+ 0 0 2 -4,-2.4 4,-2.5 1,-0.2 3,-1.1 0.964 108.5 53.7 -54.9 -57.9 52.7 46.9 58.8 16 24 A N H 3X S+ 0 0 80 -4,-2.3 4,-2.0 1,-0.3 5,-0.4 0.821 104.1 56.3 -49.9 -38.3 54.4 43.8 59.7 17 25 A F H 3X>S+ 0 0 35 -4,-1.3 5,-1.5 -5,-0.3 4,-0.7 0.900 106.1 48.8 -69.0 -33.6 52.2 43.2 62.3 18 26 A E H <<5S+ 0 0 5 -4,-1.5 6,-0.7 -3,-1.1 4,-0.2 0.977 111.9 48.3 -66.2 -50.1 49.2 43.3 60.1 19 27 A K H <5S+ 0 0 83 -4,-2.5 -1,-0.2 4,-0.2 -2,-0.2 0.892 121.5 30.7 -56.9 -44.3 50.5 41.1 57.6 20 28 A N H <5S+ 0 0 22 -4,-2.0 -3,-0.2 -5,-0.2 -2,-0.1 0.977 130.5 28.9 -80.7 -70.7 51.7 38.3 60.0 21 29 A V T <5S+ 0 0 32 -4,-0.7 -3,-0.2 -5,-0.4 2,-0.2 0.962 129.6 36.1 -57.2 -56.2 49.5 38.4 62.9 22 30 A S S + 0 0 27 -6,-0.7 4,-2.0 1,-0.2 5,-0.2 -0.499 23.3 169.8 -74.9 82.4 45.2 42.2 56.6 25 33 A I H > S+ 0 0 98 -2,-1.7 4,-2.9 2,-0.2 -1,-0.2 0.908 74.2 53.6 -62.6 -39.8 47.3 42.6 53.6 26 34 A H H > S+ 0 0 152 2,-0.3 4,-2.8 1,-0.2 -1,-0.2 0.976 111.9 41.0 -58.8 -61.5 45.8 46.0 52.7 27 35 A K H > S+ 0 0 112 1,-0.3 4,-2.9 2,-0.3 5,-0.2 0.905 118.4 50.4 -51.8 -42.0 46.5 47.7 56.0 28 36 A Y H X S+ 0 0 39 -4,-2.0 4,-0.9 1,-0.3 -1,-0.3 0.913 109.9 48.2 -61.0 -40.3 49.7 46.0 55.8 29 37 A N H X S+ 0 0 80 -4,-2.9 4,-1.4 -5,-0.2 -2,-0.3 0.839 110.2 54.4 -70.0 -31.4 50.1 47.3 52.4 30 38 A A H X S+ 0 0 31 -4,-2.8 4,-1.8 2,-0.2 3,-0.4 0.969 100.7 56.4 -66.3 -53.9 49.1 50.7 53.7 31 39 A Y H X S+ 0 0 12 -4,-2.9 4,-1.5 1,-0.2 -1,-0.2 0.763 109.4 52.9 -47.4 -30.3 51.7 50.9 56.4 32 40 A R H X S+ 0 0 138 -4,-0.9 4,-3.0 -5,-0.2 -1,-0.2 0.864 103.5 46.3 -78.7 -45.2 54.2 50.3 53.7 33 41 A K H X S+ 0 0 81 -4,-1.4 4,-1.7 -3,-0.4 -2,-0.2 0.958 119.4 45.8 -63.5 -44.3 53.6 52.9 51.0 34 42 A A H X S+ 0 0 0 -4,-1.8 4,-2.7 2,-0.3 5,-0.4 0.903 113.0 46.9 -56.5 -53.1 53.4 55.5 53.8 35 43 A A H X S+ 0 0 4 -4,-1.5 4,-1.3 -5,-0.4 -1,-0.2 0.951 111.5 55.1 -57.1 -46.1 56.4 54.3 55.5 36 44 A S H X S+ 0 0 47 -4,-3.0 4,-0.7 1,-0.2 -2,-0.3 0.818 114.2 39.4 -53.6 -38.8 58.0 54.2 52.1 37 45 A V H >X S+ 0 0 34 -4,-1.7 4,-1.8 -3,-0.2 3,-1.1 0.939 108.8 52.4 -78.2 -54.0 57.1 57.9 51.5 38 46 A I H 3< S+ 0 0 0 -4,-2.7 -2,-0.2 1,-0.3 -3,-0.1 0.723 106.4 66.0 -53.6 -25.9 57.7 59.7 54.8 39 47 A A H 3< S+ 0 0 39 -4,-1.3 -1,-0.3 -5,-0.4 -2,-0.2 0.922 102.7 40.6 -58.8 -53.5 61.0 57.9 54.3 40 48 A K H << S+ 0 0 169 -3,-1.1 -2,-0.2 -4,-0.7 -1,-0.2 0.816 88.6 119.5 -67.5 -35.4 61.8 60.0 51.2 41 49 A Y < - 0 0 47 -4,-1.8 4,-0.1 1,-0.2 -38,-0.1 -0.199 58.2-147.6 -50.9 117.8 60.6 63.2 52.8 42 50 A P + 0 0 88 0, 0.0 2,-0.3 0, 0.0 -1,-0.2 0.207 69.8 60.2 -62.5 -7.3 63.3 65.7 53.1 43 51 A H S S- 0 0 110 -5,-0.1 2,-0.5 -40,-0.0 -2,-0.0 -0.912 92.2 -90.7-134.1 163.4 62.2 67.3 56.3 44 52 A K - 0 0 117 -2,-0.3 2,-0.3 1,-0.1 -40,-0.1 -0.550 47.5-123.9 -70.6 117.8 61.6 66.5 59.8 45 53 A I - 0 0 6 -2,-0.5 -1,-0.1 -42,-0.3 3,-0.1 -0.486 26.9-171.7 -67.4 126.9 58.0 65.6 60.1 46 54 A K - 0 0 141 -2,-0.3 2,-0.3 1,-0.2 -1,-0.1 0.589 53.4 -28.2 -96.1 -11.3 56.3 67.8 62.6 47 55 A S S > S- 0 0 34 1,-0.2 4,-1.7 22,-0.0 5,-0.2 -0.982 72.3 -74.0-179.3-175.7 52.9 66.4 63.1 48 56 A G H >> S+ 0 0 0 -2,-0.3 4,-3.6 2,-0.2 3,-0.9 0.996 120.5 53.0 -60.3 -68.7 50.1 64.5 61.6 49 57 A A H 3> S+ 0 0 71 1,-0.3 4,-1.0 2,-0.2 -1,-0.2 0.748 108.8 50.5 -31.5 -52.0 48.8 67.1 59.2 50 58 A E H >4 S+ 0 0 43 2,-0.2 3,-0.7 1,-0.2 -1,-0.3 0.919 116.5 39.5 -56.1 -53.5 52.1 67.7 57.7 51 59 A A H X< S+ 0 0 0 -4,-1.7 3,-3.6 -3,-0.9 -2,-0.2 0.925 107.4 67.4 -60.1 -48.2 52.6 64.0 57.1 52 60 A K H 3< S+ 0 0 95 -4,-3.6 -1,-0.2 1,-0.3 -2,-0.2 0.651 86.4 69.2 -42.8 -29.9 48.9 63.9 56.1 53 61 A K T << S+ 0 0 163 -4,-1.0 -1,-0.3 -3,-0.7 -2,-0.2 0.716 85.2 96.3 -65.7 -23.8 49.7 66.0 53.1 54 62 A L S X S- 0 0 32 -3,-3.6 3,-0.7 -4,-0.2 2,-0.5 -0.303 87.4-105.2 -73.1 156.3 51.5 63.1 51.8 55 63 A P T 3 S+ 0 0 98 0, 0.0 -18,-0.1 0, 0.0 3,-0.1 -0.679 109.2 22.7 -80.8 128.7 50.1 60.6 49.4 56 64 A G T 3 S+ 0 0 33 -2,-0.5 2,-1.1 1,-0.2 -22,-0.2 0.056 97.8 112.9 99.6 -22.3 49.3 57.4 51.2 57 65 A V < + 0 0 8 -3,-0.7 -1,-0.2 -6,-0.2 2,-0.1 -0.736 43.7 169.8 -95.8 112.4 49.1 59.2 54.3 58 66 A G > - 0 0 27 -2,-1.1 4,-1.8 -3,-0.1 5,-0.1 -0.194 50.3 -90.6 -96.5-169.6 45.8 59.2 55.6 59 67 A T H > S+ 0 0 74 2,-0.2 4,-2.1 3,-0.2 5,-0.1 0.753 117.9 62.3 -76.6 -36.0 44.2 60.1 58.7 60 68 A K H > S+ 0 0 142 1,-0.2 4,-0.5 2,-0.2 -1,-0.2 0.939 114.4 32.5 -59.9 -46.7 44.5 56.8 60.2 61 69 A I H >> S+ 0 0 13 2,-0.2 4,-2.4 1,-0.2 3,-1.0 0.873 113.9 59.7 -73.8 -45.9 48.3 56.8 60.1 62 70 A A H 3X S+ 0 0 7 -4,-1.8 4,-2.2 1,-0.3 -2,-0.2 0.920 102.7 56.0 -48.6 -48.2 48.6 60.5 60.6 63 71 A E H 3X S+ 0 0 126 -4,-2.1 4,-1.5 1,-0.3 -1,-0.3 0.818 105.5 48.9 -55.3 -38.0 46.9 60.0 63.8 64 72 A K H - 0 0 5 -2,-0.2 4,-2.0 1,-0.2 5,-0.1 -0.991 15.1-138.7-145.8 138.7 52.4 54.0 70.6 75 83 A R H >> S+ 0 0 156 -2,-0.3 4,-3.7 2,-0.2 3,-0.6 1.000 105.1 44.7 -65.0 -58.8 49.6 52.1 72.4 76 84 A K H 3> S+ 0 0 79 1,-0.3 4,-2.7 2,-0.3 5,-0.3 0.852 113.4 51.6 -47.9 -40.8 49.1 49.5 69.8 77 85 A L H 3> S+ 0 0 5 1,-0.2 4,-1.5 2,-0.2 -1,-0.3 0.928 115.4 42.9 -65.8 -38.7 52.8 49.1 69.4 78 86 A E H X S+ 0 0 121 -4,-3.7 4,-2.6 1,-0.2 3,-0.8 0.938 114.0 45.3 -55.5 -51.4 49.9 46.4 73.3 80 88 A I H 3< S+ 0 0 18 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.791 105.4 58.3 -60.8 -38.9 51.3 44.0 70.5 81 89 A R H 3< S+ 0 0 121 -4,-1.5 -1,-0.3 -5,-0.3 -2,-0.2 0.770 113.4 42.0 -65.3 -24.6 54.8 43.8 71.8 82 90 A Q H << S+ 0 0 145 -4,-0.9 -2,-0.3 -3,-0.8 -1,-0.2 0.910 89.8 115.3 -82.3 -53.7 53.1 42.5 74.9 83 91 A D X - 0 0 69 -4,-2.6 4,-2.9 -5,-0.1 5,-0.2 0.185 52.7-156.6 -31.1 112.5 50.7 40.2 72.9 84 92 A D H > S+ 0 0 101 2,-0.2 4,-2.8 1,-0.2 3,-0.5 0.968 89.8 45.3 -53.6 -69.5 51.2 36.6 73.6 85 93 A T H > S+ 0 0 52 1,-0.3 4,-2.2 2,-0.2 5,-0.2 0.901 117.4 45.3 -42.9 -55.0 49.7 35.3 70.5 86 94 A S H > S+ 0 0 3 1,-0.2 4,-2.0 2,-0.2 -1,-0.3 0.876 109.7 52.8 -62.4 -37.2 51.4 37.7 68.4 87 95 A S H X S+ 0 0 49 -4,-2.9 4,-1.8 -3,-0.5 -1,-0.2 0.902 110.1 53.6 -61.6 -38.7 54.8 37.3 70.1 88 96 A S H X S+ 0 0 12 -4,-2.8 4,-2.4 2,-0.2 5,-0.2 0.847 107.0 47.9 -62.4 -43.4 54.3 33.6 69.4 89 97 A I H X S+ 0 0 4 -4,-2.2 4,-1.6 -5,-0.2 -1,-0.2 0.894 109.0 54.7 -68.8 -39.5 53.7 34.0 65.8 90 98 A N H < S+ 0 0 66 -4,-2.0 -2,-0.2 -5,-0.2 -1,-0.2 0.921 114.0 41.8 -58.6 -40.9 56.7 36.3 65.5 91 99 A F H >< S+ 0 0 63 -4,-1.8 3,-2.9 2,-0.2 4,-0.3 0.962 110.8 50.5 -69.9 -60.9 58.8 33.6 67.0 92 100 A L H >< S+ 0 0 0 -4,-2.4 3,-3.3 1,-0.3 6,-0.2 0.861 98.5 70.8 -44.2 -44.0 57.6 30.3 65.3 93 101 A T T 3< S+ 0 0 38 -4,-1.6 5,-0.3 1,-0.3 -1,-0.3 0.654 84.4 69.9 -49.8 -22.8 58.0 32.0 62.0 94 102 A R T < S+ 0 0 115 -3,-2.9 -1,-0.3 -5,-0.1 -2,-0.2 0.746 73.3 100.8 -74.0 -22.4 61.7 31.8 62.5 95 103 A V S X S- 0 0 2 -3,-3.3 3,-2.3 -4,-0.3 2,-0.6 -0.357 93.1-103.5 -61.0 141.4 61.7 28.1 62.1 96 104 A S T 3 S+ 0 0 43 1,-0.3 35,-0.4 35,-0.2 36,-0.2 -0.574 109.5 21.0 -70.6 121.2 62.9 27.4 58.6 97 105 A G T 3 S+ 0 0 35 -2,-0.6 2,-0.6 1,-0.4 -1,-0.3 0.399 95.0 111.4 105.4 0.3 59.8 26.5 56.8 98 106 A I < + 0 0 9 -3,-2.3 -1,-0.4 -5,-0.3 3,-0.0 -0.962 40.6 174.6-112.4 125.3 57.3 28.1 59.0 99 107 A G > - 0 0 29 -2,-0.6 4,-3.3 -3,-0.1 3,-0.4 -0.615 49.2 -83.9-116.2 175.4 55.7 31.0 57.6 100 108 A P H > S+ 0 0 35 0, 0.0 4,-3.4 0, 0.0 5,-0.3 0.876 123.1 56.4 -46.9 -55.8 52.9 33.1 59.1 101 109 A S H > S+ 0 0 83 1,-0.3 4,-2.2 2,-0.2 5,-0.1 0.892 115.0 38.9 -48.6 -47.4 50.1 30.9 57.9 102 110 A A H > S+ 0 0 17 -3,-0.4 4,-2.7 1,-0.2 5,-0.3 0.952 110.9 57.9 -73.1 -44.2 51.6 28.0 59.6 103 111 A A H X S+ 0 0 0 -4,-3.3 4,-1.7 1,-0.2 -2,-0.2 0.856 111.1 45.0 -52.9 -34.9 52.7 30.0 62.6 104 112 A R H X S+ 0 0 56 -4,-3.4 4,-3.0 -5,-0.2 -1,-0.2 0.970 112.2 49.2 -72.1 -51.5 49.1 31.0 63.2 105 113 A K H X S+ 0 0 101 -4,-2.2 4,-2.2 -5,-0.3 -2,-0.2 0.848 112.1 50.4 -52.2 -38.9 47.6 27.6 62.6 106 114 A F H X>S+ 0 0 0 -4,-2.7 5,-2.8 2,-0.2 4,-1.3 0.916 110.9 48.2 -64.5 -48.0 50.2 26.2 65.1 107 115 A V H <5S+ 0 0 2 -4,-1.7 -2,-0.2 3,-0.3 -1,-0.2 0.888 106.8 57.0 -60.1 -45.1 49.4 28.7 67.6 108 116 A D H <5S+ 0 0 129 -4,-3.0 -2,-0.2 1,-0.3 -1,-0.2 0.954 108.9 44.7 -55.7 -48.6 45.8 28.0 67.2 109 117 A E H <5S- 0 0 114 -4,-2.2 -1,-0.3 -5,-0.2 -2,-0.2 0.784 131.5-101.5 -65.0 -21.9 46.3 24.5 68.0 110 118 A G T <5S+ 0 0 33 -4,-1.3 2,-1.2 1,-0.2 -3,-0.3 0.687 72.6 140.8 111.2 26.1 48.5 25.8 70.9 111 119 A I < + 0 0 4 -5,-2.8 -1,-0.2 1,-0.2 -2,-0.1 -0.758 10.5 143.3-104.3 97.5 52.1 25.5 69.8 112 120 A K + 0 0 81 -2,-1.2 -1,-0.2 -5,-0.1 -20,-0.2 0.848 53.8 52.1 -98.4 -45.9 53.7 28.5 71.0 113 121 A T S > S- 0 0 58 -3,-0.3 4,-2.7 1,-0.1 3,-0.2 -0.413 82.3-110.7 -95.5 169.4 57.2 27.3 72.0 114 122 A L H > S+ 0 0 28 1,-0.3 4,-1.3 2,-0.2 -1,-0.1 0.755 120.3 54.6 -63.4 -26.3 60.0 25.4 70.5 115 123 A E H > S+ 0 0 122 2,-0.2 4,-2.5 1,-0.2 -1,-0.3 0.879 102.3 54.6 -79.9 -31.8 59.2 22.7 72.8 116 124 A D H > S+ 0 0 43 1,-0.3 4,-0.7 2,-0.2 -2,-0.2 0.961 106.7 54.3 -60.9 -46.3 55.7 22.5 71.7 117 125 A L H >< S+ 0 0 0 -4,-2.7 3,-0.6 1,-0.2 -1,-0.3 0.868 106.5 51.8 -53.9 -39.3 57.1 22.1 68.3 118 126 A R H >< S+ 0 0 125 -4,-1.3 3,-1.6 1,-0.2 -1,-0.2 0.952 105.8 51.2 -66.1 -48.6 59.1 19.2 69.5 119 127 A K H 3< S+ 0 0 155 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.574 117.6 43.7 -66.1 -5.4 56.3 17.3 71.1 120 128 A N T XX + 0 0 35 -4,-0.7 3,-1.4 -3,-0.6 4,-0.6 -0.148 63.3 136.1-132.7 43.6 54.5 17.7 67.9 121 129 A E G X4 + 0 0 97 -3,-1.6 3,-1.2 1,-0.3 -1,-0.1 0.833 69.7 69.7 -57.2 -29.4 57.1 17.0 65.3 122 130 A D G 34 S+ 0 0 116 1,-0.3 -1,-0.3 -4,-0.2 -2,-0.1 0.739 92.9 53.0 -56.6 -34.5 54.4 15.0 63.6 123 131 A K G <4 S+ 0 0 81 -3,-1.4 2,-0.3 -6,-0.2 -1,-0.3 0.601 98.5 84.8 -78.4 -15.2 52.4 18.0 62.7 124 132 A L S << S- 0 0 3 -3,-1.2 2,-0.2 -4,-0.6 0, 0.0 -0.687 74.9-138.1 -89.2 141.3 55.5 19.4 61.1 125 133 A N > - 0 0 86 -2,-0.3 4,-2.0 -28,-0.1 3,-0.3 -0.579 38.1 -84.2 -96.3 164.5 56.5 18.5 57.5 126 134 A H H > S+ 0 0 109 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.739 125.6 50.1 -31.8 -55.2 60.1 17.6 56.4 127 135 A H H >> S+ 0 0 48 1,-0.2 4,-2.9 2,-0.2 3,-0.5 0.976 116.1 41.8 -55.5 -57.8 61.3 21.2 55.8 128 136 A Q H 3> S+ 0 0 18 -3,-0.3 4,-2.5 1,-0.3 -1,-0.2 0.721 110.0 60.8 -60.2 -25.4 60.1 22.3 59.2 129 137 A R H 3X S+ 0 0 97 -4,-2.0 4,-1.8 2,-0.2 -1,-0.3 0.859 110.5 39.3 -73.2 -34.9 61.4 19.2 60.7 130 138 A I H < S+ 0 0 10 -4,-2.5 3,-1.3 -36,-0.2 -1,-0.3 0.951 109.8 54.1 -66.9 -43.0 63.4 22.7 63.9 133 141 A K H 3< S+ 0 0 122 -4,-1.8 3,-0.3 1,-0.3 -2,-0.2 0.872 116.3 34.0 -57.2 -45.4 66.3 20.3 64.1 134 142 A Y T 3X S+ 0 0 21 -4,-2.6 4,-2.0 1,-0.2 5,-0.3 0.058 77.5 132.8-104.0 30.5 69.0 22.8 63.2 135 143 A F H <> S+ 0 0 29 -3,-1.3 4,-1.0 2,-0.2 -1,-0.2 0.834 76.5 39.4 -45.5 -45.5 67.4 25.7 64.8 136 144 A G H >> S+ 0 0 38 -3,-0.3 3,-1.6 -4,-0.2 4,-0.8 0.992 114.7 52.4 -71.2 -62.7 70.6 26.8 66.6 137 145 A D H 34 S+ 0 0 33 1,-0.3 -2,-0.2 -4,-0.2 -1,-0.2 0.678 109.8 52.5 -46.4 -21.9 72.9 26.0 63.7 138 146 A F H 3< S+ 0 0 43 -4,-2.0 -1,-0.3 1,-0.2 -2,-0.2 0.779 101.5 55.8 -88.6 -26.0 70.7 28.1 61.4 139 147 A E H << S+ 0 0 107 -3,-1.6 2,-0.2 -4,-1.0 -2,-0.2 0.686 92.8 90.2 -77.9 -14.9 70.6 31.1 63.3 140 148 A K S < S- 0 0 105 -4,-0.8 2,-0.1 1,-0.1 -4,-0.0 -0.560 77.3-115.5 -83.9 140.4 74.4 31.5 63.4 141 149 A R - 0 0 144 -2,-0.2 40,-0.2 1,-0.1 -1,-0.1 -0.353 27.6-115.9 -74.2 153.4 76.6 33.4 60.9 142 150 A I E -A 180 0A 0 38,-4.9 38,-1.3 40,-0.1 5,-0.1 -0.808 25.1-132.7 -94.5 106.5 79.2 31.5 58.7 143 151 A P E >> -A 179 0A 41 0, 0.0 3,-2.1 0, 0.0 4,-1.9 -0.324 11.0-134.8 -56.9 135.4 82.8 32.5 59.4 144 152 A R H 3> S+ 0 0 63 34,-2.7 4,-3.0 1,-0.3 5,-0.3 0.895 106.8 70.8 -54.1 -43.2 84.5 33.2 56.2 145 153 A E H 34 S+ 0 0 123 33,-0.3 -1,-0.3 1,-0.3 4,-0.2 0.658 110.1 34.0 -42.5 -30.9 87.4 31.1 57.6 146 154 A E H <> S+ 0 0 22 -3,-2.1 4,-2.9 2,-0.2 -1,-0.3 0.619 107.8 65.7 -96.0 -36.8 84.9 28.2 57.1 147 155 A M H X S+ 0 0 3 -4,-1.9 4,-3.2 1,-0.2 -2,-0.2 0.910 101.6 52.2 -55.9 -41.1 83.4 29.6 54.0 148 156 A L H X S+ 0 0 82 -4,-3.0 4,-1.9 2,-0.2 -1,-0.2 0.848 109.9 47.3 -62.6 -40.7 86.8 29.0 52.4 149 157 A Q H > S+ 0 0 66 -5,-0.3 4,-2.0 2,-0.2 -1,-0.2 0.904 113.1 49.8 -70.0 -35.2 86.9 25.4 53.6 150 158 A M H X S+ 0 0 2 -4,-2.9 4,-2.5 1,-0.2 -2,-0.2 0.967 112.4 45.9 -62.2 -54.3 83.3 25.0 52.3 151 159 A Q H X S+ 0 0 67 -4,-3.2 4,-2.2 1,-0.2 -1,-0.2 0.818 107.4 61.2 -56.3 -37.2 84.2 26.5 48.9 152 160 A D H X S+ 0 0 83 -4,-1.9 4,-1.7 -5,-0.2 -1,-0.2 0.984 108.4 39.7 -55.0 -61.0 87.2 24.4 48.8 153 161 A I H X S+ 0 0 40 -4,-2.0 4,-2.2 1,-0.2 -2,-0.2 0.884 111.0 56.0 -57.3 -47.8 85.4 21.2 48.9 154 162 A V H X S+ 0 0 2 -4,-2.5 4,-2.0 1,-0.2 5,-0.2 0.941 107.5 49.7 -55.3 -47.4 82.6 22.0 46.7 155 163 A L H X S+ 0 0 46 -4,-2.2 4,-2.1 1,-0.2 -1,-0.2 0.878 108.2 54.2 -58.5 -40.9 84.9 23.0 43.9 156 164 A N H X S+ 0 0 76 -4,-1.7 4,-2.5 -5,-0.2 -1,-0.2 0.914 111.1 42.2 -61.1 -48.2 86.9 19.8 44.2 157 165 A E H X S+ 0 0 18 -4,-2.2 4,-2.3 2,-0.2 -2,-0.2 0.987 111.3 54.7 -62.7 -57.8 84.0 17.5 43.9 158 166 A V H X S+ 0 0 6 -4,-2.0 4,-1.0 1,-0.3 7,-0.3 0.847 113.8 43.1 -37.8 -52.3 82.3 19.4 41.1 159 167 A K H < S+ 0 0 135 -4,-2.1 -1,-0.3 -5,-0.2 -2,-0.2 0.916 109.5 58.8 -62.4 -45.4 85.5 19.2 39.1 160 168 A K H < S+ 0 0 130 -4,-2.5 -2,-0.2 -5,-0.2 -1,-0.2 0.864 107.3 47.1 -54.1 -41.2 85.9 15.6 40.1 161 169 A V H < S- 0 0 48 -4,-2.3 2,-0.5 1,-0.3 -2,-0.2 0.938 135.1 -8.7 -66.8 -88.5 82.6 14.7 38.6 162 170 A D < - 0 0 53 -4,-1.0 3,-0.5 1,-0.1 -1,-0.3 -0.929 61.3-146.2-111.3 141.2 82.7 16.3 35.3 163 171 A S S S+ 0 0 88 -2,-0.5 -1,-0.1 1,-0.2 -4,-0.1 0.625 94.0 70.5 -76.0 -17.8 85.6 18.7 34.6 164 172 A E S S+ 0 0 115 -6,-0.1 -1,-0.2 -5,-0.1 -5,-0.1 0.836 73.2 112.2 -67.8 -33.2 83.3 20.8 32.4 165 173 A Y - 0 0 14 -3,-0.5 2,-0.5 -7,-0.3 24,-0.2 -0.099 53.3-155.7 -47.5 128.1 81.3 22.1 35.4 166 174 A I E -B 188 0B 53 22,-1.4 22,-1.9 2,-0.0 2,-0.4 -0.913 14.6-178.5-109.2 129.0 81.7 25.6 36.2 167 175 A A E +B 187 0B 22 -2,-0.5 2,-0.4 20,-0.2 20,-0.2 -0.915 10.8 177.4-139.9 119.9 81.0 26.7 39.7 168 176 A T E -B 186 0B 33 18,-1.0 18,-3.5 -2,-0.4 2,-0.7 -0.932 23.3-140.5-116.2 132.3 81.0 30.1 41.5 169 177 A V E -B 185 0B 6 -2,-0.4 16,-0.3 16,-0.2 -2,-0.0 -0.825 33.5-170.0 -91.0 119.6 80.1 30.8 45.0 170 178 A C + 0 0 3 14,-3.0 3,-0.4 -2,-0.7 4,-0.4 0.065 33.0 57.3 -93.9-159.6 78.2 34.0 45.1 171 179 A G S >> S- 0 0 13 93,-0.7 3,-1.2 1,-0.2 4,-1.1 -0.150 105.8 -27.6 73.6-168.2 76.8 36.5 47.6 172 180 A S T 34>S+ 0 0 30 1,-0.3 5,-1.2 2,-0.2 -1,-0.2 0.753 132.8 61.1 -52.4 -34.4 78.7 38.5 50.3 173 181 A F T >45S+ 0 0 11 -3,-0.4 3,-1.1 1,-0.2 -1,-0.3 0.913 104.2 50.1 -62.5 -38.3 81.4 35.9 50.6 174 182 A R T <45S+ 0 0 50 -3,-1.2 -2,-0.2 -4,-0.4 -1,-0.2 0.811 107.4 55.8 -63.7 -36.4 82.1 36.6 47.0 175 183 A R T 3<5S- 0 0 72 -4,-1.1 -1,-0.3 147,-0.2 -2,-0.2 -0.087 129.0 -94.3 -85.9 23.5 82.2 40.3 47.8 176 184 A G T < 5 + 0 0 33 -3,-1.1 -3,-0.2 1,-0.2 -2,-0.1 -0.098 68.0 166.1 88.4 -33.2 84.9 39.9 50.5 177 185 A A < - 0 0 30 -5,-1.2 -1,-0.2 -2,-0.1 3,-0.1 0.339 39.2-135.7 -18.0 138.4 82.4 39.6 53.5 178 186 A E S S+ 0 0 138 1,-0.1 -34,-2.7 -35,-0.1 2,-0.3 0.804 84.7 8.7 -71.8 -35.7 83.6 38.3 57.0 179 187 A S E -A 143 0A 41 -36,-0.2 2,-0.3 -35,-0.1 -1,-0.1 -0.929 66.3-155.6-143.1 164.6 80.7 36.1 57.5 180 188 A S E -A 142 0A 1 -38,-1.3 -38,-4.9 -2,-0.3 3,-0.1 -0.960 19.4-136.0-143.7 157.6 77.8 34.8 55.6 181 189 A G S S- 0 0 37 -2,-0.3 65,-0.4 1,-0.3 2,-0.3 0.868 84.9 -14.1 -78.9 -47.5 74.3 33.5 56.3 182 190 A D S S- 0 0 56 63,-0.1 2,-0.6 -40,-0.1 -1,-0.3 -0.938 76.4 -98.9-149.8 166.6 74.2 30.5 53.9 183 191 A M E - c 0 247B 1 63,-2.9 65,-2.3 -2,-0.3 2,-0.6 -0.872 27.7-163.3-104.3 128.8 76.2 29.4 51.0 184 192 A D E - c 0 248B 28 -2,-0.6 -14,-3.0 -14,-0.4 2,-0.6 -0.856 6.7-174.5-106.4 98.4 75.1 30.2 47.3 185 193 A V E -Bc 169 249B 1 63,-2.2 65,-1.7 -2,-0.6 2,-0.3 -0.781 10.8-153.7 -91.6 119.9 76.8 28.1 44.6 186 194 A L E -Bc 168 250B 4 -18,-3.5 -18,-1.0 -2,-0.6 2,-0.5 -0.600 19.4-166.7 -86.6 143.7 75.9 29.1 41.0 187 195 A L E +Bc 167 251B 1 63,-2.2 65,-1.4 -2,-0.3 2,-0.3 -0.956 18.6 150.4-141.5 153.4 76.3 26.4 38.7 188 196 A T E -Bc 166 252B 0 -22,-1.9 -22,-1.4 -2,-0.5 5,-0.1 -0.889 16.7-158.6-153.8-174.9 76.4 25.8 35.1 189 197 A H E > - c 0 253B 11 63,-0.8 3,-1.5 3,-0.5 65,-0.9 -0.923 30.3-115.2-172.9 147.7 77.7 23.6 32.4 190 198 A P T 3 S+ 0 0 56 0, 0.0 -1,-0.1 0, 0.0 65,-0.1 0.787 111.8 58.1 -56.6 -40.3 78.3 23.7 28.6 191 199 A S T 3 S+ 0 0 52 1,-0.1 2,-0.6 -3,-0.1 11,-0.0 0.586 100.1 73.8 -71.8 -7.4 75.9 21.1 27.6 192 200 A F < + 0 0 17 -3,-1.5 62,-4.1 60,-0.2 -3,-0.5 -0.913 59.9 130.4-120.7 114.7 73.1 23.3 29.3 193 201 A T - 0 0 34 -2,-0.6 5,-0.4 60,-0.3 61,-0.1 -0.699 67.6 -66.0-140.9-172.8 71.8 26.4 27.8 194 202 A S S S+ 0 0 61 -2,-0.2 4,-0.1 59,-0.1 -2,-0.0 0.845 125.8 22.2 -48.2 -51.7 68.7 28.3 26.8 195 203 A E S S+ 0 0 148 1,-0.1 3,-0.3 2,-0.1 -1,-0.0 0.931 91.8 94.0 -80.5 -86.6 67.5 25.9 24.1 196 204 A S S S- 0 0 46 1,-0.2 -3,-0.3 -4,-0.0 2,-0.2 0.303 89.7-118.5 -13.4 71.1 69.1 22.4 24.8 197 205 A T - 0 0 129 -5,-0.1 -1,-0.2 2,-0.0 -3,-0.1 0.140 50.6 -84.5 -26.7 76.9 66.1 21.1 26.8 198 206 A K - 0 0 106 -5,-0.4 -5,-0.1 -3,-0.3 -3,-0.0 0.194 24.0-139.4 50.0-169.0 67.7 20.4 30.1 199 207 A Q > - 0 0 84 25,-0.2 3,-1.3 -7,-0.1 4,-0.3 -0.284 14.8-166.1 166.7 85.4 69.6 17.4 31.5 200 208 A P T >> S+ 0 0 58 0, 0.0 4,-1.5 0, 0.0 3,-1.4 0.777 82.8 69.7 -58.3 -30.4 68.3 17.1 35.0 201 209 A K H 3> S+ 0 0 116 1,-0.3 4,-3.6 2,-0.2 5,-0.4 0.859 80.6 79.3 -56.3 -35.0 71.2 14.8 35.9 202 210 A L H <> S+ 0 0 1 -3,-1.3 4,-0.5 1,-0.3 -1,-0.3 0.776 104.0 31.2 -37.8 -46.2 73.3 17.8 35.6 203 211 A L H <> S+ 0 0 0 -3,-1.4 4,-1.9 -4,-0.3 3,-0.4 0.893 118.5 55.1 -79.2 -47.0 72.2 18.9 39.0 204 212 A H H X S+ 0 0 44 -4,-1.5 4,-2.8 1,-0.2 5,-0.2 0.841 98.8 60.0 -54.4 -48.2 71.7 15.4 40.5 205 213 A Q H X S+ 0 0 74 -4,-3.6 4,-1.6 1,-0.2 -1,-0.2 0.868 109.5 44.8 -51.6 -45.1 75.1 14.1 39.8 206 214 A V H X S+ 0 0 2 -4,-0.5 4,-2.8 -3,-0.4 5,-0.3 0.912 110.8 48.9 -67.7 -49.8 76.6 16.8 41.8 207 215 A V H X S+ 0 0 2 -4,-1.9 4,-2.0 1,-0.3 5,-0.2 0.885 110.2 57.2 -58.6 -34.4 74.3 16.6 44.8 208 216 A E H X S+ 0 0 119 -4,-2.8 4,-1.9 2,-0.2 -1,-0.3 0.918 107.5 46.0 -61.0 -45.5 75.0 13.0 44.6 209 217 A Q H >X S+ 0 0 32 -4,-1.6 4,-2.0 -5,-0.2 3,-0.7 0.992 111.9 48.4 -63.3 -57.0 78.6 13.5 44.9 210 218 A L H 3<>S+ 0 0 2 -4,-2.8 5,-3.3 1,-0.3 6,-1.4 0.814 115.2 46.3 -51.4 -34.6 78.5 16.0 47.8 211 219 A Q H 3<5S+ 0 0 81 -4,-2.0 3,-0.4 -5,-0.3 -1,-0.3 0.822 107.2 61.1 -75.0 -34.8 76.1 13.8 49.7 212 220 A K H <<5S+ 0 0 148 -4,-1.9 -2,-0.2 -3,-0.7 -3,-0.2 0.948 109.5 38.8 -56.8 -56.0 78.5 10.9 48.8 213 221 A V T <5S- 0 0 53 -4,-2.0 -1,-0.2 -5,-0.1 -2,-0.2 0.459 121.1-106.4 -76.9 -3.9 81.4 12.4 50.7 214 222 A H T 5S+ 0 0 136 -3,-0.4 -3,-0.2 -4,-0.3 3,-0.1 0.851 85.7 116.7 80.4 39.8 79.1 13.7 53.6 215 223 A F S - 0 0 25 1,-0.2 3,-0.5 7,-0.1 6,-0.2 -0.662 37.2-144.2 -76.4 95.2 84.1 17.5 62.2 236 244 A K T 3 - 0 0 113 -2,-1.3 2,-1.1 4,-0.2 -1,-0.2 0.863 58.6 -21.2 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