==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE/DNA 02-JAN-05 1YFI . COMPND 2 MOLECULE: 5'-D(*CP*CP*CP*CP*CP*GP*GP*GP*GP*G)-3'; . SOURCE 2 SYNTHETIC: YES; . AUTHOR Q.S.XU,R.B.KUCERA,R.J.ROBERTS,H.-C.GUO . 524 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 25980.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 367 70.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 14 2.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 78 14.9 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 . 2 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 0.8 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 . 1 0.2 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 . 31 5.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 54 10.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 172 32.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 12 2.3 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 0 1 1 2 2 2 4 2 1 1 0 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 0 0 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 PARALLEL BRIDGES PER LADDER . 2 0 0 4 0 2 2 2 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 . 0 2 0 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 M 0 0 151 0, 0.0 2,-1.8 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 145.7 52.1 61.1 40.6 2 2 A R - 0 0 77 4,-0.1 5,-0.0 3,-0.1 211,-0.0 -0.587 360.0-173.1 -86.4 75.1 50.8 59.5 43.8 3 3 A T > - 0 0 11 -2,-1.8 4,-3.0 1,-0.1 5,-0.3 0.044 43.0 -87.6 -57.9 174.5 54.1 58.2 45.0 4 4 A E H > S+ 0 0 140 1,-0.2 4,-1.9 2,-0.2 5,-0.1 0.938 131.4 41.5 -51.7 -49.3 54.5 56.0 48.0 5 5 A L H > S+ 0 0 7 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.916 115.2 47.9 -65.9 -48.1 54.7 59.0 50.2 6 6 A L H > S+ 0 0 1 2,-0.2 4,-2.8 1,-0.2 5,-0.2 0.846 110.4 52.9 -63.2 -36.6 52.0 61.1 48.6 7 7 A S H X S+ 0 0 58 -4,-3.0 4,-2.3 2,-0.2 5,-0.2 0.956 107.3 52.2 -62.7 -48.5 49.6 58.2 48.6 8 8 A K H X S+ 0 0 96 -4,-1.9 4,-2.3 -5,-0.3 -2,-0.2 0.883 113.2 45.1 -53.9 -42.4 50.2 57.8 52.3 9 9 A L H X S+ 0 0 0 -4,-1.9 4,-3.1 2,-0.2 6,-0.2 0.905 109.2 52.4 -72.0 -42.4 49.4 61.4 52.9 10 10 A Y H <>S+ 0 0 1 -4,-2.8 5,-2.0 1,-0.2 6,-0.5 0.888 114.4 45.8 -61.2 -33.9 46.3 61.5 50.7 11 11 A D H ><5S+ 0 0 106 -4,-2.3 3,-1.3 -5,-0.2 -2,-0.2 0.913 111.8 51.1 -71.8 -43.3 45.1 58.6 52.7 12 12 A D H 3<5S+ 0 0 88 -4,-2.3 -2,-0.2 1,-0.3 -1,-0.2 0.887 114.3 43.1 -61.2 -40.9 46.1 60.3 56.0 13 13 A F T 3<5S- 0 0 48 -4,-3.1 -1,-0.3 -5,-0.1 -2,-0.2 0.345 105.9-131.5 -88.1 8.1 44.2 63.4 55.1 14 14 A G T X 5 + 0 0 10 -3,-1.3 3,-1.1 -5,-0.2 4,-0.5 0.792 46.9 161.5 46.2 35.0 41.3 61.3 53.8 15 15 A I G > < + 0 0 0 -5,-2.0 3,-0.6 1,-0.3 -1,-0.1 0.789 68.8 53.1 -53.8 -33.4 41.3 63.4 50.6 16 16 A D G 3 S+ 0 0 85 -6,-0.5 -1,-0.3 1,-0.2 4,-0.1 0.735 98.5 61.1 -78.9 -22.5 39.3 60.8 48.8 17 17 A Q G < S+ 0 0 135 -3,-1.1 -1,-0.2 -6,-0.1 -2,-0.2 0.552 85.7 98.2 -78.2 -6.4 36.5 60.6 51.3 18 18 A L S < S- 0 0 12 -3,-0.6 4,-0.0 -4,-0.5 -4,-0.0 -0.738 81.9-123.1 -86.4 118.3 35.9 64.2 50.5 19 19 A P > - 0 0 62 0, 0.0 3,-2.9 0, 0.0 2,-2.7 -0.310 20.8-115.9 -59.3 139.4 33.0 64.7 48.0 20 20 A H T 3 S+ 0 0 145 1,-0.3 3,-0.1 -4,-0.1 -2,-0.0 -0.114 115.3 63.1 -72.8 45.3 33.9 66.6 44.9 21 21 A T T 3 S+ 0 0 106 -2,-2.7 2,-0.4 0, 0.0 -1,-0.3 0.186 80.6 82.7-145.0 -3.3 31.4 69.2 46.0 22 22 A Q <> + 0 0 93 -3,-2.9 4,-2.2 1,-0.2 5,-0.2 -0.499 47.7 152.9-105.6 58.0 33.4 70.1 49.2 23 23 A H H > + 0 0 141 -2,-0.4 4,-1.9 1,-0.2 -1,-0.2 0.851 67.9 56.9 -56.3 -39.3 35.9 72.5 47.6 24 24 A G H > S+ 0 0 51 -3,-0.2 4,-1.5 2,-0.2 3,-0.3 0.977 112.9 35.3 -58.9 -60.8 36.4 74.4 50.8 25 25 A V H > S+ 0 0 56 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.836 114.3 59.3 -65.0 -31.9 37.5 71.6 53.0 26 26 A T H X S+ 0 0 9 -4,-2.2 4,-2.3 1,-0.2 -1,-0.2 0.863 105.4 49.8 -65.1 -35.5 39.4 70.0 50.2 27 27 A S H X S+ 0 0 58 -4,-1.9 4,-2.3 -3,-0.3 -1,-0.2 0.854 111.0 48.5 -72.4 -34.9 41.5 73.1 49.8 28 28 A D H X S+ 0 0 118 -4,-1.5 4,-2.5 2,-0.2 5,-0.2 0.956 113.2 46.9 -68.6 -48.7 42.3 73.2 53.5 29 29 A R H X S+ 0 0 93 -4,-2.7 4,-3.4 2,-0.2 -2,-0.2 0.931 114.0 48.0 -57.6 -48.3 43.3 69.5 53.6 30 30 A L H X S+ 0 0 8 -4,-2.3 4,-3.3 2,-0.2 5,-0.3 0.947 110.6 51.2 -58.5 -49.3 45.4 69.9 50.5 31 31 A G H X S+ 0 0 27 -4,-2.3 4,-0.6 1,-0.2 -1,-0.2 0.900 117.1 40.0 -54.3 -44.0 47.1 73.0 51.8 32 32 A K H X S+ 0 0 97 -4,-2.5 4,-1.5 2,-0.2 3,-0.3 0.834 113.7 55.3 -74.0 -34.4 47.9 71.1 55.0 33 33 A L H X S+ 0 0 0 -4,-3.4 4,-1.8 -5,-0.2 -2,-0.2 0.937 106.5 49.5 -65.4 -45.4 48.7 67.9 53.2 34 34 A Y H X S+ 0 0 1 -4,-3.3 4,-1.3 1,-0.2 -1,-0.2 0.668 106.0 55.9 -70.2 -14.6 51.3 69.6 51.0 35 35 A E H X S+ 0 0 15 -4,-0.6 4,-2.5 -3,-0.3 -1,-0.2 0.874 107.7 50.3 -80.2 -36.8 53.0 71.2 54.0 36 36 A K H X S+ 0 0 68 -4,-1.5 4,-3.5 2,-0.2 5,-0.2 0.877 103.6 60.2 -64.2 -38.5 53.4 67.7 55.4 37 37 A Y H X S+ 0 0 0 -4,-1.8 4,-2.4 2,-0.2 -1,-0.2 0.949 109.5 40.8 -54.8 -54.3 54.9 66.5 52.1 38 38 A I H X S+ 0 0 0 -4,-1.3 4,-1.9 1,-0.2 -1,-0.2 0.943 115.7 52.1 -60.3 -47.8 57.8 69.0 52.4 39 39 A L H < S+ 0 0 23 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.895 111.7 45.6 -56.3 -43.3 58.1 68.3 56.1 40 40 A D H >< S+ 0 0 12 -4,-3.5 3,-1.9 1,-0.2 4,-0.3 0.907 108.3 55.1 -69.0 -42.0 58.3 64.5 55.6 41 41 A I H 3< S+ 0 0 0 -4,-2.4 3,-0.3 1,-0.3 10,-0.2 0.868 120.6 33.5 -58.2 -36.6 60.8 64.7 52.8 42 42 A F T 3< S+ 0 0 0 -4,-1.9 -1,-0.3 -5,-0.2 -2,-0.2 -0.114 82.3 121.2-110.2 35.0 63.0 66.7 55.1 43 43 A K S < S- 0 0 116 -3,-1.9 39,-0.5 1,-0.2 2,-0.3 0.882 86.0 -29.7 -64.4 -38.2 62.0 64.9 58.3 44 44 A D S > S- 0 0 47 -4,-0.3 4,-2.4 -3,-0.3 -1,-0.2 -0.955 73.2 -80.6-166.4 176.0 65.6 63.8 59.0 45 45 A I H > S+ 0 0 14 35,-0.5 4,-2.3 -2,-0.3 5,-0.3 0.842 124.1 55.8 -60.7 -35.8 68.9 62.9 57.3 46 46 A E H > S+ 0 0 131 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.957 111.2 44.7 -60.5 -49.8 67.7 59.3 56.6 47 47 A S H > S+ 0 0 20 1,-0.2 4,-3.4 2,-0.2 -2,-0.2 0.921 112.3 51.2 -59.5 -48.7 64.6 60.7 54.7 48 48 A L H X S+ 0 0 0 -4,-2.4 4,-0.5 2,-0.2 -1,-0.2 0.909 113.2 42.8 -59.6 -46.3 66.6 63.3 52.8 49 49 A K H >< S+ 0 0 124 -4,-2.3 3,-0.6 2,-0.2 4,-0.3 0.908 116.9 50.0 -66.9 -40.3 69.3 60.9 51.5 50 50 A K H >< S+ 0 0 91 -4,-2.3 3,-1.5 -5,-0.3 5,-0.3 0.966 112.8 44.0 -60.5 -56.4 66.6 58.4 50.7 51 51 A Y H 3< S+ 0 0 23 -4,-3.4 12,-0.3 1,-0.3 -1,-0.2 0.472 104.2 65.9 -71.9 -2.1 64.3 60.8 48.8 52 52 A N T << S+ 0 0 31 -3,-0.6 -1,-0.3 -4,-0.5 -2,-0.2 0.478 85.2 89.7 -99.4 0.4 67.1 62.3 46.9 53 53 A T S X S- 0 0 63 -3,-1.5 3,-1.4 -4,-0.3 7,-0.3 -0.403 92.4-105.5 -88.5 169.6 67.9 59.1 45.0 54 54 A N T 3 S+ 0 0 124 1,-0.3 -1,-0.1 -2,-0.1 -3,-0.1 0.437 110.1 80.5 -75.1 1.0 66.5 58.1 41.6 55 55 A A T 3 S+ 0 0 75 1,-0.3 -1,-0.3 -5,-0.3 3,-0.1 0.739 100.4 40.4 -76.2 -22.3 64.3 55.5 43.4 56 56 A F S <> S+ 0 0 36 -3,-1.4 4,-3.1 -6,-0.2 5,-0.3 -0.581 73.2 175.7-125.1 69.5 62.0 58.3 44.2 57 57 A P H > S+ 0 0 92 0, 0.0 4,-1.6 0, 0.0 -1,-0.2 0.823 78.9 43.9 -39.5 -50.3 61.9 60.5 41.0 58 58 A Q H > S+ 0 0 25 2,-0.2 4,-2.3 1,-0.2 3,-0.3 0.968 115.1 43.2 -67.7 -57.1 59.3 62.9 42.4 59 59 A E H > S+ 0 0 2 1,-0.2 4,-3.0 2,-0.2 5,-0.3 0.890 113.9 55.4 -57.3 -37.1 60.6 63.5 45.9 60 60 A K H X S+ 0 0 59 -4,-3.1 4,-2.3 -7,-0.3 -1,-0.2 0.883 106.1 50.5 -63.2 -38.8 64.1 63.8 44.4 61 61 A D H X S+ 0 0 64 -4,-1.6 4,-2.4 -5,-0.3 -2,-0.2 0.956 113.0 46.4 -62.0 -48.8 62.8 66.5 42.0 62 62 A I H X S+ 0 0 0 -4,-2.3 4,-2.3 1,-0.2 -2,-0.2 0.949 114.5 44.9 -58.5 -53.6 61.3 68.4 44.9 63 63 A S H X S+ 0 0 0 -4,-3.0 4,-2.8 -12,-0.3 5,-0.3 0.868 112.0 53.2 -62.1 -36.8 64.3 68.1 47.2 64 64 A S H X S+ 0 0 47 -4,-2.3 4,-2.9 -5,-0.3 -1,-0.2 0.934 108.9 49.4 -63.7 -44.1 66.7 69.0 44.4 65 65 A K H X S+ 0 0 57 -4,-2.4 4,-1.9 -5,-0.2 -2,-0.2 0.920 112.3 48.5 -60.8 -43.1 64.7 72.1 43.6 66 66 A L H X S+ 0 0 0 -4,-2.3 4,-0.9 2,-0.2 3,-0.4 0.975 114.6 43.1 -61.8 -56.3 64.8 73.1 47.3 67 67 A L H ><>S+ 0 0 8 -4,-2.8 5,-2.3 1,-0.2 3,-0.7 0.873 113.1 53.5 -57.9 -39.7 68.5 72.6 47.8 68 68 A K H ><5S+ 0 0 167 -4,-2.9 3,-0.8 -5,-0.3 -1,-0.2 0.854 103.8 55.7 -64.8 -34.0 69.3 74.3 44.5 69 69 A A H 3<5S+ 0 0 11 -4,-1.9 -1,-0.2 -3,-0.4 -2,-0.2 0.730 114.4 40.5 -69.2 -22.0 67.2 77.3 45.5 70 70 A L T <<5S- 0 0 17 -4,-0.9 -1,-0.3 -3,-0.7 -2,-0.2 0.325 109.4-125.4-104.6 1.0 69.5 77.5 48.6 71 71 A N T < 5 + 0 0 141 -3,-0.8 2,-0.3 -4,-0.3 -3,-0.2 0.902 60.8 145.3 52.5 44.8 72.6 76.7 46.6 72 72 A L < - 0 0 30 -5,-2.3 2,-0.5 -6,-0.1 -1,-0.2 -0.843 44.7-137.1-112.2 150.9 73.4 73.8 49.0 73 73 A D >> - 0 0 104 -2,-0.3 3,-1.3 1,-0.1 4,-0.6 -0.902 14.3-134.0-107.5 134.2 75.0 70.5 48.1 74 74 A L G >4 S+ 0 0 38 -2,-0.5 3,-1.1 1,-0.3 -1,-0.1 0.844 104.4 61.9 -55.6 -32.7 73.6 67.3 49.6 75 75 A D G 34 S+ 0 0 151 1,-0.3 -1,-0.3 -3,-0.0 -3,-0.0 0.809 98.1 54.9 -65.3 -29.9 77.1 66.2 50.4 76 76 A N G <4 S+ 0 0 75 -3,-1.3 31,-0.9 30,-0.1 2,-0.6 0.621 89.5 94.9 -78.5 -10.8 77.7 69.1 52.8 77 77 A I E << +A 106 0A 6 -3,-1.1 29,-0.3 -4,-0.6 3,-0.1 -0.718 41.6 170.0 -89.5 119.0 74.6 68.3 54.8 78 78 A I E + 0 0 85 27,-3.4 2,-0.3 -2,-0.6 28,-0.2 0.752 67.5 8.3 -95.7 -31.0 75.2 66.1 57.9 79 79 A D E -A 105 0A 72 26,-1.8 26,-2.7 -35,-0.1 2,-0.3 -0.999 59.2-168.7-152.5 156.2 71.8 66.4 59.5 80 80 A V E +A 104 0A 3 -2,-0.3 -35,-0.5 24,-0.2 2,-0.3 -0.973 7.0 171.5-143.4 154.2 68.3 67.7 58.8 81 81 A S E -A 103 0A 54 22,-1.0 22,-2.3 -2,-0.3 2,-0.3 -0.966 8.6-168.9-155.3 158.7 65.1 68.4 60.7 82 82 A S E +A 102 0A 28 -39,-0.5 2,-0.3 -2,-0.3 20,-0.2 -0.985 7.9 168.7-150.5 157.9 61.8 70.1 59.8 83 83 A S E -A 101 0A 61 18,-1.9 18,-2.3 -2,-0.3 2,-0.2 -0.986 40.4 -89.9-167.9 158.2 58.7 71.4 61.6 84 84 A D E -A 100 0A 80 -2,-0.3 2,-0.5 16,-0.2 16,-0.3 -0.535 44.7-129.5 -72.5 135.7 55.5 73.4 61.3 85 85 A T + 0 0 17 14,-2.0 2,-0.1 -2,-0.2 -1,-0.1 -0.769 39.0 157.6 -91.1 131.0 56.1 77.0 62.3 86 86 A D + 0 0 141 -2,-0.5 13,-0.1 1,-0.1 -2,-0.0 -0.545 3.5 165.8-153.6 79.2 53.7 78.4 64.9 87 87 A L - 0 0 61 2,-0.1 3,-0.1 111,-0.1 -1,-0.1 0.753 36.8-139.7 -68.4 -30.0 55.2 81.4 66.7 88 88 A G + 0 0 69 1,-0.2 2,-0.3 0, 0.0 -1,-0.0 0.924 65.8 81.8 69.4 45.8 51.9 82.6 68.2 89 89 A R - 0 0 147 7,-0.1 -1,-0.2 5,-0.0 2,-0.1 -0.914 65.4-130.0-173.2 148.9 52.4 86.4 67.8 90 90 A T - 0 0 90 -2,-0.3 5,-0.2 5,-0.2 2,-0.2 -0.441 20.5-169.2 -97.4 175.3 52.0 89.1 65.1 91 91 A I B > -E 94 0B 43 3,-1.9 3,-3.1 -2,-0.1 2,-0.7 -0.768 53.2 -34.7-146.2-169.7 54.5 91.7 64.0 92 92 A A T 3 S+ 0 0 87 1,-0.3 0, 0.0 -2,-0.2 0, 0.0 -0.406 138.6 17.9 -58.3 103.8 54.6 94.8 61.9 93 93 A G T 3 S- 0 0 28 -2,-0.7 2,-0.3 3,-0.0 -1,-0.3 0.230 123.1 -86.9 117.3 -12.7 52.1 93.7 59.2 94 94 A G B < S+E 91 0B 24 -3,-3.1 -3,-1.9 95,-0.1 3,-0.1 -0.799 86.4 7.8 114.7-156.6 50.4 90.9 61.0 95 95 A S S S- 0 0 81 -2,-0.3 -5,-0.2 -5,-0.2 104,-0.0 -0.329 83.9-100.2 -63.6 141.3 51.3 87.2 61.4 96 96 A P - 0 0 23 0, 0.0 104,-0.1 0, 0.0 -1,-0.1 -0.327 23.7-131.0 -60.4 143.9 54.7 86.1 59.9 97 97 A K S S+ 0 0 41 102,-0.5 2,-0.5 91,-0.4 103,-0.1 0.406 71.0 119.1 -78.7 4.2 54.3 84.4 56.5 98 98 A T + 0 0 9 101,-0.3 19,-0.2 1,-0.2 3,-0.1 -0.612 35.0 175.4 -75.2 119.5 56.5 81.5 57.6 99 99 A D - 0 0 48 17,-2.9 -14,-2.0 -2,-0.5 2,-0.3 0.733 65.4 -16.8 -92.8 -28.7 54.5 78.3 57.4 100 100 A A E -AB 84 116A 0 16,-1.4 16,-4.3 -16,-0.3 -1,-0.3 -0.974 60.6-133.7-166.1 168.8 57.4 75.9 58.4 101 101 A T E -AB 83 115A 12 -18,-2.3 -18,-1.9 -2,-0.3 2,-0.4 -0.897 2.3-157.6-133.5 164.6 61.1 75.6 58.7 102 102 A I E -AB 82 114A 0 12,-0.9 12,-2.3 -2,-0.3 2,-0.5 -0.992 11.4-155.4-139.3 130.7 63.9 73.3 57.8 103 103 A R E -AB 81 113A 98 -22,-2.3 -22,-1.0 -2,-0.4 2,-0.4 -0.954 7.4-164.1-115.2 120.4 67.3 73.3 59.7 104 104 A F E -AB 80 112A 0 8,-1.9 8,-2.2 -2,-0.5 2,-0.5 -0.833 3.5-158.2-101.3 138.4 70.3 72.0 57.9 105 105 A T E -AB 79 111A 33 -26,-2.7 -27,-3.4 -2,-0.4 -26,-1.8 -0.977 13.7-160.1-117.2 123.3 73.5 71.1 59.8 106 106 A F E > -A 77 0A 28 4,-2.7 3,-1.5 -2,-0.5 -29,-0.2 -0.283 35.5 -84.4 -94.0-177.6 76.7 71.0 57.7 107 107 A H T 3 S+ 0 0 139 -31,-0.9 -30,-0.1 1,-0.3 -31,-0.0 0.907 122.2 53.0 -54.9 -51.0 80.1 69.4 58.3 108 108 A N T 3 S- 0 0 99 1,-0.1 -1,-0.3 2,-0.0 3,-0.1 0.353 120.2-103.4 -72.2 9.2 81.7 72.0 60.5 109 109 A Q S < S+ 0 0 160 -3,-1.5 2,-0.2 1,-0.3 -2,-0.1 0.595 82.3 130.3 79.4 13.4 78.7 71.9 62.9 110 110 A S - 0 0 53 2,-0.0 -4,-2.7 1,-0.0 -1,-0.3 -0.573 40.7-157.9 -91.7 161.7 77.3 75.2 61.5 111 111 A S E -B 105 0A 61 -6,-0.2 2,-0.4 -2,-0.2 -6,-0.2 -0.860 15.2-139.4-137.5 171.9 73.7 75.2 60.5 112 112 A R E -B 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5,-0.3 0.964 114.5 43.8 -51.0 -57.3 60.8 87.1 38.3 229 229 A R H X S+ 0 0 36 -4,-3.0 4,-1.9 1,-0.2 -1,-0.2 0.887 112.7 52.6 -58.2 -37.7 58.1 89.5 39.4 230 230 A I H < S+ 0 0 22 -4,-3.1 4,-0.4 -5,-0.3 -1,-0.2 0.944 113.4 43.7 -63.8 -44.0 60.2 92.5 38.5 231 231 A A H >X S+ 0 0 43 -4,-3.1 3,-2.4 1,-0.2 4,-0.6 0.961 111.6 52.2 -63.1 -52.8 60.7 91.2 35.0 232 232 A E H >< S+ 0 0 44 -4,-3.2 3,-0.7 1,-0.3 -1,-0.2 0.837 111.0 50.6 -52.2 -33.3 57.1 90.2 34.6 233 233 A G T 3< S+ 0 0 1 -4,-1.9 -1,-0.3 -5,-0.3 -2,-0.2 0.497 98.0 66.4 -85.3 -4.5 56.2 93.7 35.7 234 234 A S T <4 S+ 0 0 54 -3,-2.4 -1,-0.2 -4,-0.4 -2,-0.2 0.532 77.1 111.8 -92.0 -8.3 58.5 95.3 33.1 235 235 A K S X< S- 0 0 122 -3,-0.7 3,-0.7 -4,-0.6 7,-0.0 -0.028 89.5 -94.4 -59.0 168.4 56.5 94.1 30.2 236 236 A A T 3 S+ 0 0 106 1,-0.3 -1,-0.1 2,-0.1 -3,-0.0 0.873 127.6 50.5 -54.8 -40.2 54.6 96.5 27.9 237 237 A R T 3 S- 0 0 171 1,-0.0 -1,-0.3 5,-0.0 4,-0.2 0.793 97.9-144.2 -70.8 -26.9 51.4 96.0 29.9 238 238 A K X> - 0 0 90 -3,-0.7 3,-1.2 -6,-0.2 4,-0.6 0.966 16.0-141.0 63.9 56.5 53.3 96.6 33.3 239 239 A P G >4>S+ 0 0 34 0, 0.0 5,-1.9 0, 0.0 3,-1.4 -0.126 79.7 7.5 -49.0 140.0 51.4 94.1 35.4 240 240 A G G >45S- 0 0 16 1,-0.3 3,-2.0 4,-0.2 5,-0.3 0.834 130.3 -66.2 55.0 36.3 50.7 95.4 38.9 241 241 A F G <45S- 0 0 22 -3,-1.2 -1,-0.3 1,-0.3 -66,-0.1 0.818 106.5 -43.3 57.0 30.8 51.9 98.9 38.1 242 242 A G G <<5S+ 0 0 5 -3,-1.4 -1,-0.3 -4,-0.6 -9,-0.2 0.226 122.8 100.1 101.9 -14.0 55.4 97.4 37.7 243 243 A T T < 5S- 0 0 0 -3,-2.0 -3,-0.2 -5,-0.2 -10,-0.1 0.643 82.2-131.5 -80.6 -15.4 55.4 95.1 40.7 244 244 A G S - 0 0 1 7,-2.6 3,-0.6 -2,-0.3 7,-0.3 -0.811 15.1-165.5 -92.0 112.8 40.2 91.1 49.9 251 251 A S T 3 + 0 0 101 -2,-0.7 -1,-0.2 1,-0.2 5,-0.0 0.595 66.3 103.1 -72.7 -6.3 36.6 90.0 50.0 252 252 A G T 3 S+ 0 0 61 5,-0.1 2,-0.2 2,-0.0 -1,-0.2 0.778 82.7 5.6 -44.2 -51.0 37.4 89.0 53.6 253 253 A S S < S- 0 0 71 -3,-0.6 4,-0.2 2,-0.3 -3,-0.0 -0.713 74.9 -98.2-132.4-175.9 35.9 91.9 55.6 254 254 A K S S+ 0 0 208 -2,-0.2 2,-0.1 2,-0.1 3,-0.1 0.839 94.7 84.4 -73.6 -37.2 33.7 95.0 55.4 255 255 A A S S- 0 0 67 1,-0.1 -2,-0.3 -123,-0.0 2,-0.2 -0.446 95.9-103.5 -68.3 139.7 36.6 97.5 55.4 256 256 A K + 0 0 91 -2,-0.1 2,-0.3 -7,-0.1 -100,-0.1 -0.491 54.4 171.5 -64.2 129.6 38.1 98.1 52.0 257 257 A K - 0 0 61 -7,-0.3 -7,-2.6 -102,-0.2 -125,-0.2 -0.998 28.7-120.8-145.8 139.8 41.4 96.1 52.0 258 258 A M E -FG 131 249C 0 -127,-2.0 -127,-1.9 -2,-0.3 2,-0.4 -0.495 20.3-163.6 -83.5 149.1 43.9 95.3 49.3 259 259 A Q E -FG 130 248C 30 -11,-2.9 -11,-2.5 -129,-0.3 2,-0.5 -0.987 4.3-154.8-129.6 140.8 44.9 91.8 48.2 260 260 A F E -FG 129 247C 0 -131,-3.1 -132,-3.2 -2,-0.4 -131,-1.3 -0.956 1.4-160.2-121.7 131.1 47.9 90.8 46.2 261 261 A K E FG 127 246C 62 -15,-2.4 -15,-3.0 -2,-0.5 -134,-0.3 -0.843 360.0 360.0-106.1 142.2 48.3 87.7 44.0 262 262 A G 0 0 4 -136,-2.8 -136,-1.9 -2,-0.4 -17,-0.1 -0.733 360.0 360.0-166.8 360.0 51.8 86.4 43.0 263 !* 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 264 1 B M 0 0 154 0, 0.0 2,-1.5 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 149.8 31.3 60.6 25.7 265 2 B R - 0 0 80 4,-0.1 211,-0.0 3,-0.1 5,-0.0 -0.656 360.0-170.9 -91.9 80.0 32.6 59.1 22.4 266 3 B T > - 0 0 8 -2,-1.5 4,-3.0 1,-0.1 5,-0.3 0.003 41.3 -89.0 -62.2 173.2 29.3 57.6 21.4 267 4 B E H > S+ 0 0 143 1,-0.2 4,-1.9 2,-0.2 5,-0.1 0.932 130.4 42.2 -51.6 -48.6 28.9 55.3 18.4 268 5 B L H > S+ 0 0 6 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.925 114.8 47.8 -66.5 -48.1 28.4 58.2 16.1 269 6 B L H > S+ 0 0 0 2,-0.2 4,-3.0 1,-0.2 5,-0.2 0.863 110.7 53.2 -62.0 -37.1 31.1 60.5 17.6 270 7 B S H X S+ 0 0 57 -4,-3.0 4,-2.1 2,-0.2 5,-0.2 0.948 107.3 50.9 -62.6 -48.6 33.6 57.7 17.5 271 8 B K H X S+ 0 0 101 -4,-1.9 4,-2.1 -5,-0.3 -1,-0.2 0.883 113.9 46.5 -55.7 -39.1 32.8 57.1 13.8 272 9 B L H X S+ 0 0 0 -4,-1.9 4,-3.1 2,-0.2 6,-0.2 0.921 108.2 51.8 -72.6 -45.0 33.4 60.8 13.2 273 10 B Y H <>S+ 0 0 1 -4,-3.0 5,-1.9 1,-0.2 6,-0.5 0.850 115.2 45.9 -60.1 -31.0 36.6 61.2 15.2 274 11 B D H ><5S+ 0 0 103 -4,-2.1 3,-1.0 -5,-0.2 -1,-0.2 0.884 111.1 51.3 -76.2 -41.7 37.9 58.3 13.1 275 12 B D H 3<5S+ 0 0 86 -4,-2.1 -2,-0.2 1,-0.3 -3,-0.2 0.890 115.2 42.2 -62.0 -40.3 36.6 59.8 9.9 276 13 B F T 3<5S- 0 0 47 -4,-3.1 -1,-0.3 -5,-0.1 -2,-0.2 0.340 105.8-131.9 -88.6 6.4 38.3 63.1 10.6 277 14 B G T X 5 + 0 0 12 -3,-1.0 3,-1.0 -5,-0.2 4,-0.3 0.789 46.2 161.9 47.5 33.9 41.4 61.2 11.8 278 15 B I G > - 0 0 66 0, 0.0 3,-2.6 0, 0.0 2,-2.4 -0.270 21.6-119.7 -57.9 136.5 49.8 65.4 16.9 283 20 B H T 3 S+ 0 0 137 1,-0.3 3,-0.1 -4,-0.1 -4,-0.0 -0.201 112.8 54.3 -76.0 53.1 48.9 67.1 20.2 284 21 B T T 3 S+ 0 0 115 -2,-2.4 2,-0.9 0, 0.0 -1,-0.3 0.183 81.7 87.8-158.0 -6.3 50.9 70.2 19.1 285 22 B Q <> + 0 0 86 -3,-2.6 4,-1.9 1,-0.2 5,-0.2 -0.559 47.9 155.4 -99.5 65.1 49.1 70.7 15.8 286 23 B H H > + 0 0 141 -2,-0.9 4,-1.8 1,-0.2 -1,-0.2 0.817 64.0 61.3 -59.9 -35.0 46.5 72.9 17.5 287 24 B G H > S+ 0 0 51 -3,-0.3 4,-1.5 2,-0.2 3,-0.2 0.974 110.8 33.0 -59.6 -62.1 45.8 74.6 14.2 288 25 B V H > S+ 0 0 58 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.832 115.4 60.2 -66.5 -31.2 44.6 71.7 12.0 289 26 B T H X S+ 0 0 9 -4,-1.9 4,-2.4 1,-0.2 -1,-0.2 0.884 105.3 48.9 -64.2 -36.2 43.1 70.0 15.1 290 27 B S H X S+ 0 0 56 -4,-1.8 4,-2.2 -3,-0.2 -1,-0.2 0.852 111.6 48.1 -72.4 -36.1 40.8 73.0 15.5 291 28 B D H X S+ 0 0 118 -4,-1.5 4,-2.6 2,-0.2 5,-0.3 0.966 113.2 48.0 -66.0 -51.1 39.7 73.1 11.9 292 29 B R H X S+ 0 0 90 -4,-2.7 4,-3.4 1,-0.2 -2,-0.2 0.937 113.0 47.5 -54.8 -51.1 39.0 69.3 11.9 293 30 B L H X S+ 0 0 8 -4,-2.4 4,-3.5 1,-0.2 5,-0.2 0.942 110.8 51.9 -56.5 -48.2 37.0 69.6 15.1 294 31 B G H X S+ 0 0 28 -4,-2.2 4,-0.6 1,-0.2 -1,-0.2 0.909 116.5 39.9 -55.4 -43.8 35.1 72.5 13.8 295 32 B K H X S+ 0 0 94 -4,-2.6 4,-1.4 2,-0.2 3,-0.4 0.843 114.1 54.7 -74.3 -33.9 34.2 70.6 10.7 296 33 B L H X S+ 0 0 0 -4,-3.4 4,-1.8 -5,-0.3 -2,-0.2 0.929 106.9 49.7 -66.2 -44.5 33.7 67.4 12.6 297 34 B Y H X S+ 0 0 2 -4,-3.5 4,-1.3 1,-0.2 -1,-0.2 0.645 106.2 55.6 -71.3 -12.9 31.1 69.0 15.0 298 35 B E H X S+ 0 0 14 -4,-0.6 4,-2.4 -3,-0.4 -1,-0.2 0.829 107.9 50.2 -82.8 -32.6 29.2 70.4 12.0 299 36 B K H X S+ 0 0 69 -4,-1.4 4,-3.4 -3,-0.2 5,-0.3 0.871 103.9 59.8 -69.1 -37.7 28.9 66.8 10.7 300 37 B Y H X S+ 0 0 0 -4,-1.8 4,-2.4 2,-0.2 5,-0.2 0.959 109.9 40.8 -55.2 -54.9 27.7 65.6 14.1 301 38 B I H X S+ 0 0 0 -4,-1.3 4,-2.0 1,-0.2 -2,-0.2 0.958 115.7 52.0 -58.5 -50.7 24.7 67.9 13.9 302 39 B L H < S+ 0 0 23 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.878 111.7 46.0 -54.1 -43.3 24.2 67.2 10.2 303 40 B D H >< S+ 0 0 14 -4,-3.4 3,-2.0 1,-0.2 4,-0.3 0.918 107.6 55.5 -68.9 -43.1 24.2 63.4 10.8 304 41 B I H 3< S+ 0 0 0 -4,-2.4 3,-0.3 1,-0.3 10,-0.2 0.897 120.4 33.6 -56.0 -38.7 21.9 63.5 13.8 305 42 B F T 3< S+ 0 0 0 -4,-2.0 -1,-0.3 -5,-0.2 -2,-0.2 -0.132 82.3 120.9-109.0 36.5 19.4 65.3 11.6 306 43 B K S < S- 0 0 115 -3,-2.0 39,-0.5 1,-0.2 2,-0.3 0.875 86.2 -29.4 -65.5 -38.8 20.3 63.5 8.3 307 44 B D S > S- 0 0 45 -4,-0.3 4,-2.4 -3,-0.3 3,-0.2 -0.949 73.0 -81.8-166.1 176.8 16.8 62.2 7.8 308 45 B I H > S+ 0 0 18 35,-0.4 4,-2.4 -2,-0.3 5,-0.3 0.836 123.8 58.0 -62.9 -32.9 13.7 61.1 9.7 309 46 B E H > S+ 0 0 128 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.915 110.7 42.7 -61.0 -46.6 15.2 57.7 10.4 310 47 B S H > S+ 0 0 19 -3,-0.2 4,-3.2 2,-0.2 -2,-0.2 0.911 112.8 52.2 -66.8 -47.1 18.2 59.2 12.1 311 48 B L H < S+ 0 0 0 -4,-2.4 4,-0.5 1,-0.2 -2,-0.2 0.935 112.2 43.8 -59.1 -49.5 16.2 61.8 14.1 312 49 B K H >X S+ 0 0 122 -4,-2.4 3,-0.6 1,-0.2 4,-0.5 0.908 116.9 48.8 -63.4 -40.1 13.7 59.3 15.6 313 50 B K H >< S+ 0 0 81 -4,-1.7 3,-1.0 -5,-0.3 5,-0.3 0.925 111.7 46.3 -64.5 -49.4 16.6 56.9 16.3 314 51 B Y T 3< S+ 0 0 23 -4,-3.2 12,-0.3 -10,-0.2 -1,-0.2 0.464 105.5 63.3 -76.1 1.7 18.9 59.5 18.0 315 52 B N T <4 S+ 0 0 34 -3,-0.6 -1,-0.2 -4,-0.5 -2,-0.2 0.617 85.0 94.4 -98.9 -12.3 15.9 60.8 20.1 316 53 B T S X< S- 0 0 62 -3,-1.0 3,-2.6 -4,-0.5 7,-0.2 -0.444 91.5-107.1 -82.0 152.2 15.4 57.5 21.9 317 54 B N T 3 S+ 0 0 132 1,-0.3 -1,-0.1 -2,-0.1 -3,-0.1 0.407 110.7 79.3 -58.2 4.3 16.9 56.7 25.3 318 55 B A T 3 S+ 0 0 71 -5,-0.3 -1,-0.3 1,-0.3 -4,-0.1 0.726 97.7 42.2 -83.5 -23.9 19.3 54.3 23.5 319 56 B F S <> S+ 0 0 39 -3,-2.6 4,-3.0 -6,-0.2 5,-0.3 -0.617 70.8 175.6-123.2 71.0 21.5 57.3 22.5 320 57 B P H > S+ 0 0 94 0, 0.0 4,-1.9 0, 0.0 -1,-0.2 0.855 79.1 44.2 -40.5 -52.1 21.6 59.5 25.7 321 58 B Q H > S+ 0 0 23 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.959 115.3 42.8 -66.1 -55.8 24.0 62.0 24.1 322 59 B E H > S+ 0 0 2 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.866 114.4 55.0 -59.1 -34.4 22.5 62.5 20.6 323 60 B K H X S+ 0 0 62 -4,-3.0 4,-2.4 -7,-0.2 -1,-0.2 0.891 106.0 50.7 -65.6 -39.4 19.1 62.6 22.3 324 61 B D H X S+ 0 0 63 -4,-1.9 4,-2.3 -5,-0.3 -2,-0.2 0.947 112.6 47.2 -62.0 -46.6 20.3 65.4 24.6 325 62 B I H X S+ 0 0 0 -4,-2.3 4,-2.2 2,-0.2 -2,-0.2 0.943 114.0 45.0 -60.8 -52.0 21.5 67.3 21.6 326 63 B S H X S+ 0 0 0 -4,-2.7 4,-2.9 -12,-0.3 5,-0.3 0.896 111.9 53.4 -61.8 -39.9 18.4 66.9 19.5 327 64 B S H X S+ 0 0 47 -4,-2.4 4,-2.7 -5,-0.2 -1,-0.2 0.915 108.8 49.3 -61.5 -43.1 16.2 67.7 22.4 328 65 B K H X S+ 0 0 55 -4,-2.3 4,-2.0 -5,-0.2 -1,-0.2 0.919 112.8 47.9 -62.5 -42.2 18.0 71.0 23.0 329 66 B L H X S+ 0 0 0 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