==== 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 7ICQ . 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) . 17895.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 217 66.4 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 . 1 0.3 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 . 17 5.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 30 9.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 122 37.3 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 2 0 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 0 214 0, 0.0 38,-0.1 0, 0.0 39,-0.1 0.000 360.0 360.0 360.0 -11.7 67.2 58.1 57.0 2 10 A T + 0 0 117 37,-0.1 4,-0.2 3,-0.0 37,-0.0 0.185 360.0 74.2-173.3 1.2 67.1 59.2 60.6 3 11 A L S S+ 0 0 59 36,-0.1 42,-0.4 38,-0.1 4,-0.1 0.626 114.9 22.9-100.3 -15.9 64.8 62.1 60.6 4 12 A N S > S+ 0 0 7 35,-0.1 4,-2.4 40,-0.1 5,-0.2 0.291 90.6 120.4-132.5 15.2 61.8 60.1 60.1 5 13 A G H > S+ 0 0 20 2,-0.2 4,-3.0 1,-0.2 5,-0.2 0.840 71.9 46.4 -42.2 -64.9 63.2 56.8 61.5 6 14 A G H > S+ 0 0 37 1,-0.3 4,-3.4 2,-0.2 5,-0.2 0.922 114.3 51.8 -50.8 -49.4 60.8 56.1 64.5 7 15 A I H > S+ 0 0 9 1,-0.2 4,-2.0 2,-0.2 -1,-0.3 0.899 111.5 45.2 -55.2 -46.8 57.9 56.8 62.3 8 16 A T H X S+ 0 0 21 -4,-2.4 4,-1.3 1,-0.2 -1,-0.2 0.861 114.9 47.8 -67.5 -36.8 59.1 54.5 59.7 9 17 A D H X S+ 0 0 102 -4,-3.0 4,-2.5 2,-0.2 -2,-0.2 0.919 109.0 50.9 -70.3 -44.1 59.9 51.8 62.1 10 18 A M H X S+ 0 0 5 -4,-3.4 4,-2.7 1,-0.3 -2,-0.2 0.955 110.6 50.7 -55.1 -51.2 56.6 52.0 64.0 11 19 A L H X S+ 0 0 0 -4,-2.0 4,-3.1 1,-0.2 -1,-0.3 0.797 108.1 56.4 -51.9 -37.0 54.8 51.7 60.7 12 20 A T H X S+ 0 0 56 -4,-1.3 4,-3.0 2,-0.2 5,-0.3 0.965 107.0 44.1 -62.5 -54.2 57.1 48.8 60.1 13 21 A E H X S+ 0 0 75 -4,-2.5 4,-2.6 1,-0.2 -2,-0.2 0.931 117.9 49.2 -52.9 -47.4 55.9 46.9 63.3 14 22 A L H X S+ 0 0 0 -4,-2.7 4,-1.8 2,-0.2 -1,-0.2 0.920 111.2 45.0 -57.2 -53.8 52.4 47.8 62.4 15 23 A A H X S+ 0 0 3 -4,-3.1 4,-1.5 1,-0.2 3,-0.3 0.953 113.8 53.4 -58.1 -49.2 52.6 46.7 58.8 16 24 A N H X S+ 0 0 85 -4,-3.0 4,-2.3 1,-0.3 -2,-0.2 0.869 107.4 47.9 -54.1 -45.6 54.3 43.5 59.9 17 25 A F H X>S+ 0 0 35 -4,-2.6 4,-2.4 -5,-0.3 5,-1.5 0.902 103.5 61.2 -68.1 -35.1 51.9 42.5 62.3 18 26 A E H <5S+ 0 0 10 -4,-1.8 6,-0.2 -3,-0.3 -1,-0.2 0.918 113.3 38.2 -53.3 -45.3 48.9 43.1 60.0 19 27 A K H <5S+ 0 0 82 -4,-1.5 -1,-0.2 5,-0.2 -2,-0.2 0.914 121.6 40.7 -71.0 -52.7 50.2 40.6 57.7 20 28 A N H <5S+ 0 0 24 -4,-2.3 -2,-0.2 -5,-0.2 -3,-0.2 0.840 130.8 18.5 -65.8 -46.4 51.6 38.0 60.1 21 29 A V T <5S+ 0 0 32 -4,-2.4 -3,-0.2 -5,-0.2 -2,-0.1 0.853 131.4 35.1 -92.9 -62.0 48.9 37.9 62.9 22 30 A S S + 0 0 28 -6,-0.2 4,-6.0 1,-0.2 5,-0.4 0.025 10.8 160.5 -27.6 50.4 45.4 42.3 56.6 25 33 A I H > S+ 0 0 93 -2,-1.9 4,-2.1 1,-0.2 -1,-0.2 0.799 79.7 50.5 -50.3 -29.3 47.4 42.3 53.4 26 34 A H H > S+ 0 0 152 2,-0.2 4,-2.0 3,-0.2 -1,-0.2 0.988 116.7 37.8 -71.7 -52.0 45.7 45.5 52.6 27 35 A K H > S+ 0 0 117 2,-0.3 4,-2.2 1,-0.2 -2,-0.2 0.890 117.2 52.9 -58.5 -49.5 46.4 47.1 55.9 28 36 A Y H X S+ 0 0 29 -4,-6.0 4,-1.4 1,-0.3 -1,-0.2 0.935 109.6 46.6 -55.7 -48.7 49.7 45.6 55.9 29 37 A N H X S+ 0 0 75 -4,-2.1 4,-1.8 -5,-0.4 5,-0.3 0.852 106.6 62.9 -60.5 -35.3 50.4 46.9 52.4 30 38 A A H >X S+ 0 0 32 -4,-2.0 4,-2.0 1,-0.2 3,-0.5 0.983 100.4 49.1 -55.2 -61.3 49.2 50.2 53.7 31 39 A Y H 3X S+ 0 0 12 -4,-2.2 4,-3.3 1,-0.2 -1,-0.2 0.806 108.4 58.9 -48.4 -36.7 51.9 50.6 56.4 32 40 A R H 3X S+ 0 0 144 -4,-1.4 4,-2.4 2,-0.2 -1,-0.2 0.898 104.9 39.5 -66.9 -48.1 54.5 49.9 53.9 33 41 A K H - 0 0 40 1,-0.2 4,-1.6 22,-0.0 -1,-0.2 -0.996 67.9-109.3-169.7 165.1 52.8 66.4 63.1 48 56 A G H >> S+ 0 0 0 -2,-0.3 4,-2.8 1,-0.2 3,-0.9 0.985 113.9 57.3 -68.6 -51.3 50.4 64.1 61.8 49 57 A A H 3> S+ 0 0 69 1,-0.3 4,-0.8 2,-0.2 -1,-0.2 0.762 106.5 53.6 -46.8 -29.1 48.5 66.6 59.6 50 58 A E H 34 S+ 0 0 41 2,-0.2 -1,-0.3 -3,-0.2 3,-0.3 0.849 110.1 46.1 -72.5 -42.6 51.9 67.3 58.0 51 59 A A H X< S+ 0 0 0 -4,-1.6 3,-4.3 -3,-0.9 -2,-0.2 0.955 101.4 64.6 -63.3 -49.8 52.2 63.7 57.2 52 60 A K H 3< S+ 0 0 96 -4,-2.8 5,-0.3 1,-0.4 -1,-0.2 0.765 86.8 74.0 -39.0 -40.3 48.8 63.3 56.0 53 61 A K T 3< S+ 0 0 166 -4,-0.8 -1,-0.4 -5,-0.3 -2,-0.2 0.587 86.2 87.7 -53.3 -16.7 49.8 65.6 53.3 54 62 A L S X S- 0 0 38 -3,-4.3 3,-0.6 4,-0.1 2,-0.3 -0.478 89.3-103.1 -89.1 166.7 51.6 62.7 52.0 55 63 A P T 3 S+ 0 0 93 0, 0.0 -18,-0.1 0, 0.0 3,-0.1 -0.658 111.9 25.6 -83.8 135.9 50.4 60.0 49.6 56 64 A G T 3 S+ 0 0 28 -2,-0.3 2,-1.1 1,-0.2 -22,-0.2 0.250 99.2 122.7 88.0 -10.6 49.6 56.7 51.3 57 65 A V < + 0 0 9 -3,-0.6 -1,-0.2 -5,-0.3 2,-0.1 -0.768 39.3 167.4 -95.2 95.5 49.1 59.0 54.2 58 66 A G > - 0 0 28 -2,-1.1 4,-1.3 -3,-0.1 -4,-0.1 -0.103 50.0 -90.0 -91.3-171.1 45.6 58.6 55.4 59 67 A T H > S+ 0 0 87 2,-0.2 4,-2.3 1,-0.2 5,-0.1 0.887 118.3 49.5 -70.2 -46.0 43.7 59.6 58.3 60 68 A K H > S+ 0 0 121 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.878 113.0 45.9 -63.9 -42.8 44.5 56.5 60.5 61 69 A I H > S+ 0 0 11 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.826 109.6 54.6 -70.1 -37.7 48.1 56.6 60.0 62 70 A A H X S+ 0 0 6 -4,-1.3 4,-2.4 1,-0.2 -2,-0.2 0.966 107.2 52.8 -60.4 -45.8 48.2 60.3 60.6 63 71 A E H X S+ 0 0 124 -4,-2.3 4,-2.0 1,-0.2 5,-0.2 0.904 108.8 49.4 -51.1 -46.6 46.5 59.6 63.9 64 72 A K H X S+ 0 0 34 -4,-1.7 4,-1.8 1,-0.2 5,-0.3 0.932 106.6 53.8 -61.8 -47.4 49.0 57.1 64.8 65 73 A I H X S+ 0 0 0 -4,-2.6 4,-2.4 1,-0.2 5,-0.3 0.865 105.9 57.1 -58.2 -36.4 51.9 59.4 64.0 66 74 A D H X S+ 0 0 67 -4,-2.4 4,-4.6 1,-0.2 -2,-0.2 0.979 106.5 44.8 -60.1 -56.3 50.4 61.9 66.2 67 75 A E H X S+ 0 0 71 -4,-2.0 4,-2.1 1,-0.3 6,-0.5 0.749 115.7 49.6 -56.7 -29.6 50.3 59.7 69.3 68 76 A F H < S+ 0 0 54 -4,-1.8 -1,-0.3 -5,-0.2 -2,-0.2 0.867 114.6 42.0 -80.2 -36.6 53.7 58.6 68.6 69 77 A L H < S+ 0 0 60 -4,-2.4 -2,-0.2 -5,-0.3 -3,-0.2 0.972 115.9 51.4 -70.1 -49.4 54.9 62.1 68.2 70 78 A A H < S+ 0 0 84 -4,-4.6 2,-0.3 -5,-0.3 -2,-0.2 0.884 126.4 14.5 -49.8 -48.6 52.9 63.2 71.1 71 79 A T S < S- 0 0 66 -4,-2.1 2,-1.7 2,-0.4 -1,-0.1 -0.980 85.6-104.0-133.9 144.2 54.3 60.4 73.4 72 80 A G S S+ 0 0 73 -2,-0.3 2,-0.3 -3,-0.1 -4,-0.1 0.348 97.6 35.1 -50.7 15.7 57.3 58.0 73.2 73 81 A K - 0 0 86 -2,-1.7 -2,-0.4 -6,-0.5 2,-0.3 -0.968 69.6-120.4-160.3 178.1 54.9 55.3 72.3 74 82 A L > - 0 0 2 -2,-0.3 4,-2.7 1,-0.2 5,-0.2 -0.983 16.7-144.9-126.2 129.8 51.9 53.8 70.7 75 83 A R H > S+ 0 0 171 -2,-0.3 4,-3.2 1,-0.2 5,-0.2 0.991 103.0 47.8 -58.9 -58.3 49.0 52.0 72.6 76 84 A K H > S+ 0 0 78 1,-0.3 4,-2.5 2,-0.2 -1,-0.2 0.863 111.7 50.3 -49.1 -41.3 48.4 49.6 69.9 77 85 A L H > S+ 0 0 4 2,-0.2 4,-2.1 1,-0.2 -1,-0.3 0.951 112.3 47.6 -67.4 -41.0 52.0 48.8 69.5 78 86 A E H X S+ 0 0 76 -4,-2.7 4,-0.7 1,-0.2 -2,-0.2 0.953 110.6 50.1 -63.2 -43.3 52.2 48.3 73.2 79 87 A K H X S+ 0 0 135 -4,-3.2 4,-1.6 1,-0.2 3,-0.5 0.890 112.6 48.0 -58.3 -43.3 49.1 46.1 73.2 80 88 A I H < S+ 0 0 21 -4,-2.5 7,-0.3 -5,-0.2 -1,-0.2 0.833 105.7 57.8 -66.5 -39.8 50.7 43.9 70.2 81 89 A R H < S+ 0 0 135 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.662 112.6 42.6 -67.3 -19.2 54.2 43.5 71.9 82 90 A Q H < S+ 0 0 142 -4,-0.7 -2,-0.2 -3,-0.5 -1,-0.1 0.951 85.1 101.9 -85.0 -69.6 52.6 41.9 74.9 83 91 A D X - 0 0 65 -4,-1.6 4,-2.0 1,-0.1 3,-0.3 0.161 59.5-151.1 -23.4 112.6 50.0 39.6 73.5 84 92 A D H > S+ 0 0 99 1,-0.2 4,-2.3 2,-0.2 5,-0.1 0.881 93.5 59.4 -63.3 -40.3 51.2 36.1 73.6 85 93 A T H > S+ 0 0 47 2,-0.2 4,-1.1 1,-0.2 -1,-0.2 0.883 109.7 45.3 -56.4 -34.6 49.2 35.0 70.6 86 94 A S H >> S+ 0 0 2 -3,-0.3 4,-1.2 1,-0.2 3,-0.9 0.995 112.2 48.4 -69.8 -57.6 51.0 37.6 68.6 87 95 A S H 3X S+ 0 0 48 -4,-2.0 4,-1.0 -7,-0.3 -2,-0.2 0.731 105.1 63.6 -52.1 -27.9 54.5 36.8 69.9 88 96 A S H 3X S+ 0 0 15 -4,-2.3 4,-3.3 1,-0.2 3,-0.4 0.924 100.5 47.5 -63.5 -46.4 53.8 33.3 69.3 89 97 A I H < S+ 0 0 59 -4,-1.0 3,-2.1 -3,-0.4 4,-0.3 0.891 111.6 50.7 -88.6 -52.9 58.5 32.9 67.1 92 100 A L H >< S+ 0 0 0 -4,-3.3 3,-2.5 1,-0.3 6,-0.2 0.911 103.4 64.7 -53.3 -40.3 57.1 29.8 65.4 93 101 A T T 3< S+ 0 0 40 -4,-1.2 -1,-0.3 1,-0.3 5,-0.2 0.702 82.8 76.1 -55.0 -24.1 57.8 31.5 62.2 94 102 A R T < S+ 0 0 114 -3,-2.1 2,-0.5 -4,-0.1 -1,-0.3 0.619 75.9 100.3 -65.7 -14.0 61.6 31.4 63.0 95 103 A V S X S- 0 0 2 -3,-2.5 3,-2.8 -4,-0.3 2,-0.3 -0.628 86.2-116.9 -80.9 127.0 61.4 27.8 62.1 96 104 A S T 3 S+ 0 0 40 -2,-0.5 35,-0.4 1,-0.3 36,-0.2 -0.515 105.9 25.4 -62.4 122.3 62.6 27.0 58.7 97 105 A G T 3 S+ 0 0 29 -2,-0.3 2,-0.5 1,-0.3 -1,-0.3 0.053 100.8 100.0 110.3 -18.5 59.6 25.6 57.0 98 106 A I < + 0 0 9 -3,-2.8 -1,-0.3 -6,-0.2 26,-0.0 -0.876 45.4 172.2-102.8 127.8 57.0 27.5 59.1 99 107 A G > - 0 0 28 -2,-0.5 4,-2.9 -3,-0.1 5,-0.1 -0.437 51.5 -80.2-114.0-166.3 55.5 30.5 57.7 100 108 A P H > S+ 0 0 44 0, 0.0 4,-3.5 0, 0.0 5,-0.1 0.858 125.9 55.5 -64.8 -43.6 52.7 32.6 59.1 101 109 A S H > S+ 0 0 90 1,-0.2 4,-2.1 2,-0.2 5,-0.1 0.944 115.6 38.8 -54.9 -52.9 50.0 30.5 57.8 102 110 A A H > S+ 0 0 17 2,-0.2 4,-2.4 1,-0.2 5,-0.3 0.888 110.9 58.1 -64.6 -45.7 51.4 27.6 59.6 103 111 A A H X S+ 0 0 0 -4,-2.9 4,-1.7 1,-0.2 5,-0.2 0.928 108.6 49.3 -54.4 -44.2 52.4 29.6 62.6 104 112 A R H X S+ 0 0 45 -4,-3.5 4,-1.9 2,-0.2 3,-0.5 0.973 107.5 52.0 -57.7 -58.1 48.8 30.5 63.0 105 113 A K H < S+ 0 0 97 -4,-2.1 3,-0.3 1,-0.3 -2,-0.2 0.905 110.6 48.5 -45.2 -52.7 47.4 27.0 62.7 106 114 A F H ><>S+ 0 0 0 -4,-2.4 5,-3.6 1,-0.2 3,-2.0 0.887 108.1 52.7 -60.2 -39.3 49.7 25.7 65.4 107 115 A V H ><5S+ 0 0 6 -4,-1.7 3,-0.7 -3,-0.5 -1,-0.2 0.853 105.5 53.6 -67.5 -29.3 49.0 28.3 67.8 108 116 A D T 3<5S+ 0 0 120 -4,-1.9 -1,-0.3 -3,-0.3 -2,-0.2 0.224 108.6 50.8 -87.5 18.0 45.4 27.8 67.6 109 117 A E T < 5S- 0 0 104 -3,-2.0 -1,-0.3 2,-0.2 -2,-0.2 0.212 126.4-107.8-128.1 -2.0 46.2 24.3 68.3 110 118 A G T < 5S+ 0 0 37 -3,-0.7 2,-0.7 1,-0.3 -3,-0.3 0.481 74.1 138.7 86.1 8.2 48.1 25.5 71.2 111 119 A I < + 0 0 4 -5,-3.6 -1,-0.3 1,-0.2 -2,-0.2 -0.777 12.6 144.8 -84.2 118.6 51.7 24.9 69.9 112 120 A K + 0 0 64 -2,-0.7 2,-0.3 -3,-0.1 -1,-0.2 0.378 49.3 47.1-134.1 -0.9 53.5 27.9 70.8 113 121 A T S > S- 0 0 60 -3,-0.1 4,-2.8 1,-0.1 -1,-0.1 -0.902 82.2-101.5-141.5 170.6 57.0 26.8 71.7 114 122 A L H > S+ 0 0 37 -2,-0.3 4,-2.3 1,-0.2 5,-0.1 0.868 123.7 48.8 -55.4 -43.0 60.0 24.7 70.6 115 123 A E H > S+ 0 0 129 2,-0.2 4,-3.2 1,-0.2 5,-0.3 0.945 107.5 53.3 -62.6 -48.0 58.9 22.1 73.1 116 124 A D H > S+ 0 0 48 1,-0.2 4,-1.5 2,-0.2 -2,-0.2 0.897 108.8 53.3 -50.4 -44.0 55.4 22.1 71.8 117 125 A L H >< S+ 0 0 0 -4,-2.8 3,-0.8 2,-0.2 -1,-0.2 0.951 108.2 45.3 -59.0 -55.6 56.9 21.6 68.5 118 126 A R H >< S+ 0 0 125 -4,-2.3 3,-2.0 1,-0.3 -2,-0.2 0.900 110.3 56.2 -53.6 -48.9 59.0 18.6 69.5 119 127 A K H 3< S+ 0 0 154 -4,-3.2 -1,-0.3 1,-0.3 3,-0.2 0.766 115.7 39.5 -53.0 -31.8 56.0 17.1 71.3 120 128 A N T X< + 0 0 47 -4,-1.5 3,-1.5 -3,-0.8 4,-0.3 -0.131 69.9 134.8-114.5 39.3 54.1 17.4 68.2 121 129 A E G X + 0 0 90 -3,-2.0 3,-0.9 1,-0.3 -1,-0.2 0.713 66.3 70.4 -59.8 -15.7 56.6 16.4 65.7 122 130 A D G 3 S+ 0 0 116 1,-0.2 -1,-0.3 -3,-0.2 -2,-0.1 0.935 93.3 57.5 -66.0 -40.2 54.1 14.3 64.1 123 131 A K G < S+ 0 0 96 -3,-1.5 2,-0.3 -6,-0.2 -1,-0.2 0.478 94.1 81.1 -67.5 -6.0 52.3 17.5 62.9 124 132 A L S < S- 0 0 5 -3,-0.9 2,-0.1 -4,-0.3 -26,-0.0 -0.773 73.1-132.6-104.4 153.3 55.3 18.9 61.0 125 133 A N > - 0 0 79 -2,-0.3 4,-2.6 -28,-0.1 5,-0.2 -0.434 40.8 -82.7 -92.2 174.6 56.4 17.9 57.6 126 134 A H H > S+ 0 0 100 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.854 127.2 44.5 -41.5 -61.3 59.9 17.1 56.5 127 135 A H H > S+ 0 0 45 1,-0.2 4,-3.9 2,-0.2 5,-0.2 0.975 115.5 49.7 -51.9 -55.4 61.2 20.7 56.0 128 136 A Q H > S+ 0 0 14 1,-0.3 4,-2.4 -31,-0.3 -1,-0.2 0.838 109.4 52.5 -50.7 -38.7 59.6 21.7 59.2 129 137 A R H X S+ 0 0 101 -4,-2.6 4,-2.7 2,-0.2 -1,-0.3 0.951 112.1 43.2 -68.6 -45.6 61.2 18.8 61.0 130 138 A I H X S+ 0 0 7 -4,-2.5 4,-2.1 1,-0.2 -2,-0.2 0.964 110.6 56.2 -62.3 -47.0 64.6 19.6 59.8 131 139 A G H < S+ 0 0 1 -4,-3.9 -35,-0.2 -35,-0.4 -1,-0.2 0.893 112.7 43.4 -47.0 -46.2 64.0 23.3 60.5 132 140 A L H >< S+ 0 0 11 -4,-2.4 3,-1.6 -5,-0.2 4,-0.2 0.934 108.5 56.2 -66.8 -48.1 63.2 22.3 64.1 133 141 A K H 3< S+ 0 0 128 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.789 120.0 31.1 -57.2 -30.7 66.0 19.9 64.5 134 142 A Y T 3X S+ 0 0 13 -4,-2.1 4,-3.3 -5,-0.2 -1,-0.3 0.073 75.9 131.1-119.9 26.9 68.5 22.5 63.6 135 143 A F H <> S+ 0 0 20 -3,-1.6 4,-0.8 2,-0.2 -1,-0.1 0.843 77.8 43.9 -43.2 -49.9 66.9 25.6 64.9 136 144 A G H >> S+ 0 0 38 -4,-0.2 3,-3.2 2,-0.2 4,-0.9 0.989 114.8 44.6 -62.7 -69.3 69.9 26.7 66.7 137 145 A D H >4 S+ 0 0 37 1,-0.3 3,-1.2 2,-0.2 -2,-0.2 0.854 110.1 61.1 -41.0 -47.1 72.6 26.0 63.9 138 146 A F H 3< S+ 0 0 42 -4,-3.3 -1,-0.3 1,-0.3 -2,-0.2 0.781 103.6 46.2 -56.4 -27.6 70.2 27.6 61.5 139 147 A E H << S+ 0 0 100 -3,-3.2 -1,-0.3 -4,-0.8 -2,-0.2 0.652 92.5 102.4 -89.4 -13.6 70.3 30.9 63.3 140 148 A K S << S- 0 0 99 -3,-1.2 -4,-0.0 -4,-0.9 -3,-0.0 -0.504 73.8-122.9 -71.3 134.8 74.1 30.9 63.6 141 149 A R - 0 0 151 -2,-0.2 40,-0.2 1,-0.1 -1,-0.1 -0.213 23.6-118.4 -69.9 161.8 76.0 33.1 61.2 142 150 A I E -A 180 0A 0 38,-4.0 38,-3.2 40,-0.1 2,-0.3 -0.918 20.1-140.2-112.3 115.3 78.6 31.5 58.9 143 151 A P E >> -A 179 0A 38 0, 0.0 3,-3.1 0, 0.0 4,-1.7 -0.481 16.4-128.5 -69.4 130.5 82.2 32.7 59.3 144 152 A R H 3> S+ 0 0 60 34,-4.0 4,-1.9 1,-0.3 5,-0.2 0.674 107.4 70.4 -53.3 -16.9 84.0 33.1 56.1 145 153 A E H 3> S+ 0 0 116 33,-0.4 4,-0.5 1,-0.2 -1,-0.3 0.805 107.3 37.0 -68.4 -29.6 86.8 31.0 57.6 146 154 A E H <> S+ 0 0 27 -3,-3.1 4,-2.4 2,-0.2 -2,-0.2 0.746 109.0 65.3 -86.0 -34.3 84.3 28.1 57.3 147 155 A M H X S+ 0 0 0 -4,-1.7 4,-3.7 1,-0.2 5,-0.3 0.907 101.6 48.6 -52.2 -49.7 83.0 29.4 54.0 148 156 A L H X S+ 0 0 72 -4,-1.9 4,-2.1 2,-0.2 -1,-0.2 0.839 110.3 51.1 -62.7 -39.7 86.4 28.8 52.3 149 157 A Q H X S+ 0 0 64 -4,-0.5 4,-1.5 2,-0.2 -1,-0.2 0.900 115.4 43.8 -65.5 -38.8 86.5 25.3 53.7 150 158 A M H X S+ 0 0 2 -4,-2.4 4,-2.9 2,-0.2 -2,-0.2 0.924 114.2 47.4 -65.3 -53.7 83.1 24.7 52.3 151 159 A Q H X S+ 0 0 55 -4,-3.7 4,-2.1 1,-0.2 5,-0.2 0.884 106.4 61.7 -58.3 -39.7 83.7 26.3 49.1 152 160 A D H X S+ 0 0 85 -4,-2.1 4,-1.2 -5,-0.3 -1,-0.2 0.935 109.3 39.3 -55.4 -47.6 86.8 24.3 49.0 153 161 A I H X S+ 0 0 39 -4,-1.5 4,-2.5 2,-0.2 5,-0.3 0.940 110.7 54.2 -70.0 -51.0 85.0 21.1 49.0 154 162 A V H X S+ 0 0 2 -4,-2.9 4,-2.7 1,-0.2 5,-0.2 0.920 109.5 50.8 -51.3 -47.8 82.1 21.8 46.9 155 163 A L H X S+ 0 0 59 -4,-2.1 4,-1.1 -5,-0.2 -1,-0.2 0.849 109.6 49.0 -59.9 -40.6 84.4 23.0 44.1 156 164 A N H X S+ 0 0 81 -4,-1.2 4,-2.3 -3,-0.2 -1,-0.2 0.843 113.4 46.3 -71.3 -34.9 86.6 19.8 44.2 157 165 A E H X S+ 0 0 27 -4,-2.5 4,-1.9 2,-0.2 5,-0.2 0.948 108.7 52.9 -74.8 -41.1 83.8 17.6 44.1 158 166 A V H X S+ 0 0 7 -4,-2.7 4,-1.3 -5,-0.3 7,-0.3 0.827 111.3 53.2 -56.6 -29.8 82.0 19.3 41.3 159 167 A K H < S+ 0 0 127 -4,-1.1 -1,-0.2 -5,-0.2 -2,-0.2 0.936 103.8 50.5 -70.6 -51.7 85.2 19.0 39.6 160 168 A K H < S+ 0 0 126 -4,-2.3 3,-0.2 1,-0.2 -2,-0.2 0.859 108.1 53.8 -55.6 -42.6 85.7 15.3 40.0 161 169 A V H < S- 0 0 50 -4,-1.9 2,-0.3 1,-0.3 -1,-0.2 0.874 133.0 -9.2 -61.8 -41.3 82.3 14.6 38.6 162 170 A D >< - 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0 0 44 -2,-0.2 -5,-0.1 -6,-0.1 2,-0.1 -0.505 11.8-144.2 148.4 145.2 62.4 46.0 22.8 300 308 A G + 0 0 40 -2,-0.1 -9,-0.0 -7,-0.1 -2,-0.0 -0.214 31.1 137.0-110.3-160.1 64.4 42.8 23.3 301 309 A E - 0 0 147 -2,-0.1 2,-0.0 -10,-0.1 0, 0.0 0.648 56.3-103.8 108.6 96.0 67.0 40.3 21.9 302 310 A P - 0 0 73 0, 0.0 -11,-0.2 0, 0.0 -2,-0.0 -0.105 26.1-138.9 -44.0 112.4 69.6 38.8 24.3 303 311 A L - 0 0 42 -13,-3.3 2,-0.5 1,-0.1 -13,-0.5 -0.439 30.6-108.7 -70.3 152.7 73.0 40.3 24.1 304 312 A P - 0 0 101 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.849 36.3-169.4 -96.5 127.0 75.6 37.5 24.3 305 313 A V + 0 0 25 -2,-0.5 -47,-0.2 -50,-0.2 -48,-0.2 -0.940 24.5 169.1-117.7 129.2 77.8 37.2 27.6 306 314 A D S S+ 0 0 118 -2,-0.3 2,-0.3 1,-0.2 -1,-0.1 0.343 75.1 1.0-116.2 1.2 80.9 35.1 28.4 307 315 A S S > S- 0 0 43 1,-0.0 4,-0.9 -50,-0.0 -1,-0.2 -0.954 81.8 -90.3-173.9 172.8 81.9 36.8 31.7 308 316 A E H > S+ 0 0 5 -2,-0.3 4,-1.5 1,-0.2 12,-0.1 0.719 123.4 66.0 -67.1 -20.8 80.9 39.4 34.2 309 317 A K H > S+ 0 0 83 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.939 91.0 56.8 -61.9 -58.5 83.1 41.6 32.0 310 318 A D H > S+ 0 0 43 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.815 105.4 55.8 -48.0 -37.0 80.9 41.4 29.0 311 319 A I H X S+ 0 0 0 -4,-0.9 4,-1.6 2,-0.2 3,-0.4 0.993 108.6 41.1 -61.4 -63.4 78.2 42.8 31.0 312 320 A F H <>S+ 0 0 0 -4,-1.5 5,-0.8 1,-0.3 3,-0.2 0.892 112.5 58.2 -48.1 -50.0 79.8 46.0 32.3 313 321 A D H ><5S+ 0 0 74 -4,-2.4 3,-2.0 3,-0.3 -1,-0.3 0.892 102.1 55.4 -45.3 -53.2 81.3 46.5 28.8 314 322 A Y H 3<5S+ 0 0 68 -4,-2.0 -1,-0.3 -3,-0.4 -2,-0.2 0.902 114.3 36.7 -48.4 -53.3 77.8 46.5 27.5 315 323 A I T 3<5S- 0 0 0 -4,-1.6 -1,-0.3 -3,-0.2 -2,-0.2 0.373 117.4-123.1 -84.1 8.3 76.8 49.3 29.7 316 324 A Q T < 5 + 0 0 126 -3,-2.0 -3,-0.3 -5,-0.3 2,-0.3 0.971 59.7 144.0 50.1 72.0 80.2 50.6 29.1 317 325 A W < - 0 0 63 -5,-0.8 2,-0.4 3,-0.0 -1,-0.2 -0.829 58.7 -82.7-134.2 172.7 81.3 50.7 32.8 318 326 A K - 0 0 129 -2,-0.3 2,-0.0 1,-0.1 -6,-0.0 -0.607 52.9-114.9 -74.1 125.5 84.2 50.2 35.0 319 327 A Y - 0 0 95 -2,-0.4 2,-0.5 1,-0.1 -10,-0.1 -0.439 33.3-143.4 -64.2 142.0 84.6 46.5 35.8 320 328 A R - 0 0 39 -12,-0.1 5,-0.1 5,-0.0 -1,-0.1 -0.955 5.7-135.0-114.1 123.9 84.0 46.0 39.5 321 329 A E > - 0 0 134 -2,-0.5 3,-0.7 1,-0.1 4,-0.1 -0.404 35.7-112.0 -66.7 151.0 85.7 43.5 41.6 322 330 A P G > S+ 0 0 22 0, 0.0 3,-2.5 0, 0.0 -1,-0.1 0.875 114.1 65.1 -55.6 -40.7 83.1 41.9 43.6 323 331 A K G 3 S+ 0 0 132 1,-0.3 3,-0.5 -149,-0.1 -146,-0.1 0.866 104.3 46.1 -46.6 -45.6 84.3 43.5 46.8 324 332 A D G < S+ 0 0 61 -3,-0.7 3,-0.3 1,-0.2 -1,-0.3 0.240 82.8 97.2 -84.2 11.5 83.4 46.9 45.5 325 333 A R < + 0 0 0 -3,-2.5 -55,-0.2 1,-0.2 -1,-0.2 0.289 53.5 108.8 -83.3 12.3 80.1 45.8 44.4 326 334 A S 0 0 62 -3,-0.5 -56,-0.6 1,-0.1 -57,-0.2 0.977 360.0 360.0 -54.5 -66.8 78.7 47.2 47.6 327 335 A E 0 0 155 -3,-0.3 -54,-0.1 -58,-0.2 -1,-0.1 0.520 360.0 360.0-133.3 360.0 76.8 50.2 46.5