==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=9-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE/DNA 25-APR-03 1P59 . COMPND 2 MOLECULE: 5'-D(*AP*AP*GP*AP*CP*GP*(5IU)P*GP*GP*AP*C)-3'; . SOURCE 2 SYNTHETIC: YES; . AUTHOR J.C.FROMME,G.L.VERDINE . 214 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10336.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 150 70.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 0 0.0 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 . 9 4.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 27 12.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 105 49.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 1.9 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 0 2 0 1 1 0 1 2 1 0 3 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 0 0 PARALLEL BRIDGES PER LADDER . 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 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 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 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 0 122 0, 0.0 150,-0.2 0, 0.0 2,-0.1 0.000 360.0 360.0 360.0 151.1 42.5 56.4 -1.2 2 2 A L - 0 0 30 148,-2.6 2,-0.1 1,-0.1 148,-0.0 -0.426 360.0-105.5 -81.9 157.9 46.2 56.6 -1.9 3 3 A T > - 0 0 70 -2,-0.1 4,-1.8 1,-0.1 5,-0.2 -0.385 33.7-108.5 -75.2 162.5 47.7 57.1 -5.3 4 4 A K H > S+ 0 0 44 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.896 121.7 56.1 -58.9 -39.2 49.3 54.0 -7.0 5 5 A Q H > S+ 0 0 133 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.882 107.1 48.3 -61.5 -39.2 52.7 55.6 -6.4 6 6 A Q H > S+ 0 0 70 2,-0.2 4,-3.3 1,-0.2 -1,-0.2 0.830 110.9 49.5 -71.1 -32.5 52.0 55.9 -2.6 7 7 A I H X S+ 0 0 7 -4,-1.8 4,-2.6 2,-0.2 -2,-0.2 0.865 112.0 48.8 -73.4 -35.6 50.8 52.3 -2.4 8 8 A R H X S+ 0 0 84 -4,-2.5 4,-2.6 -5,-0.2 -2,-0.2 0.929 112.0 50.9 -66.5 -40.9 53.9 51.3 -4.2 9 9 A Y H X S+ 0 0 111 -4,-2.4 4,-2.2 -5,-0.2 -2,-0.2 0.981 110.2 48.3 -56.6 -60.0 55.8 53.4 -1.7 10 10 A C H X S+ 0 0 0 -4,-3.3 4,-2.0 1,-0.2 -2,-0.2 0.887 111.7 48.9 -47.7 -50.8 54.1 51.8 1.2 11 11 A L H X S+ 0 0 19 -4,-2.6 4,-2.0 1,-0.2 3,-0.2 0.943 109.4 51.7 -58.0 -49.0 54.8 48.3 -0.0 12 12 A D H < S+ 0 0 54 -4,-2.6 4,-0.3 1,-0.3 -1,-0.2 0.882 109.1 52.4 -55.3 -37.6 58.4 49.1 -0.6 13 13 A E H >X S+ 0 0 46 -4,-2.2 3,-1.1 1,-0.2 4,-1.1 0.878 108.3 49.6 -66.6 -37.8 58.6 50.4 2.9 14 14 A M H 3X S+ 0 0 0 -4,-2.0 4,-2.0 1,-0.3 -1,-0.2 0.791 102.8 62.1 -70.2 -28.1 57.1 47.1 4.2 15 15 A A H 3< S+ 0 0 25 -4,-2.0 -1,-0.3 1,-0.2 -2,-0.2 0.557 103.8 50.6 -74.1 -7.3 59.7 45.2 2.2 16 16 A K H <4 S+ 0 0 105 -3,-1.1 -1,-0.2 -4,-0.3 -2,-0.2 0.728 110.5 45.2 -99.4 -30.4 62.3 46.9 4.3 17 17 A M H < S+ 0 0 55 -4,-1.1 -2,-0.2 1,-0.2 3,-0.1 0.824 128.8 27.9 -79.4 -33.1 60.8 46.1 7.7 18 18 A F >< + 0 0 36 -4,-2.0 3,-1.2 -5,-0.1 -1,-0.2 -0.538 65.2 153.9-131.2 68.3 60.2 42.5 6.6 19 19 A P T 3 S+ 0 0 91 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 0.898 82.8 42.9 -61.0 -41.7 62.8 41.4 3.9 20 20 A D T 3 S+ 0 0 56 -3,-0.1 2,-0.2 160,-0.0 -5,-0.0 -0.236 80.5 151.3-100.3 45.3 62.5 37.7 4.9 21 21 A A < + 0 0 6 -3,-1.2 2,-0.3 -2,-0.2 159,-0.2 -0.552 18.1 154.2 -75.7 143.2 58.7 37.6 5.3 22 22 A H - 0 0 97 157,-0.2 2,-0.4 -2,-0.2 -2,-0.0 -0.883 50.6 -67.2-154.4-178.6 57.3 34.2 4.6 23 23 A C - 0 0 27 -2,-0.3 156,-0.0 1,-0.1 0, 0.0 -0.667 38.7-158.9 -78.5 132.4 54.4 31.8 5.2 24 24 A E + 0 0 42 -2,-0.4 2,-0.5 2,-0.1 -1,-0.1 0.518 57.0 109.6 -94.5 -3.5 54.6 30.8 8.8 25 25 A L S S- 0 0 10 1,-0.1 2,-0.5 23,-0.0 -2,-0.1 -0.614 72.4-128.7 -73.4 119.7 52.6 27.5 8.5 26 26 A V + 0 0 87 -2,-0.5 2,-0.3 19,-0.2 -2,-0.1 -0.590 46.0 149.9 -74.6 119.0 55.1 24.7 9.0 27 27 A H - 0 0 60 -2,-0.5 22,-0.0 1,-0.1 4,-0.0 -0.973 40.8-161.2-147.5 161.4 54.8 22.2 6.1 28 28 A R S S+ 0 0 146 1,-0.4 -1,-0.1 -2,-0.3 -2,-0.0 0.561 79.2 9.1-118.0 -16.1 56.9 19.7 4.1 29 29 A N S >> S- 0 0 63 1,-0.0 4,-2.1 0, 0.0 3,-0.7 -0.980 84.5 -91.3-159.7 160.7 54.7 19.2 1.0 30 30 A P H 3> S+ 0 0 41 0, 0.0 4,-2.5 0, 0.0 5,-0.1 0.781 122.6 57.0 -46.8 -33.2 51.6 20.6 -0.7 31 31 A F H 3> S+ 0 0 21 2,-0.2 4,-2.0 1,-0.2 5,-0.2 0.935 107.9 45.0 -68.5 -44.8 49.5 18.1 1.1 32 32 A E H <> S+ 0 0 5 -3,-0.7 4,-2.5 2,-0.2 -1,-0.2 0.863 112.9 52.2 -67.1 -33.6 50.6 19.2 4.5 33 33 A L H X S+ 0 0 0 -4,-2.1 4,-2.9 2,-0.2 5,-0.3 0.962 107.4 52.1 -65.2 -51.4 50.2 22.9 3.5 34 34 A L H X S+ 0 0 0 -4,-2.5 4,-2.2 1,-0.2 -2,-0.2 0.915 112.8 43.8 -51.1 -50.3 46.7 22.3 2.3 35 35 A I H X S+ 0 0 0 -4,-2.0 4,-2.6 2,-0.2 5,-0.2 0.960 112.4 54.9 -61.3 -48.1 45.6 20.7 5.7 36 36 A A H X S+ 0 0 0 -4,-2.5 4,-1.0 1,-0.2 -2,-0.2 0.925 110.2 43.5 -50.4 -54.5 47.5 23.4 7.6 37 37 A V H >X S+ 0 0 0 -4,-2.9 4,-1.0 1,-0.2 3,-0.8 0.914 111.4 54.0 -61.4 -43.4 45.7 26.3 5.9 38 38 A V H >< S+ 0 0 5 -4,-2.2 3,-0.5 -5,-0.3 -1,-0.2 0.913 110.1 47.7 -56.3 -41.2 42.3 24.5 6.2 39 39 A L H 3< S+ 0 0 0 -4,-2.6 -1,-0.3 1,-0.2 -2,-0.2 0.707 101.9 71.6 -70.8 -19.6 43.1 24.2 9.9 40 40 A S H X< + 0 0 6 -4,-1.0 3,-1.5 -3,-0.8 -1,-0.2 0.808 61.5 120.3 -66.8 -38.1 44.0 27.9 9.9 41 41 A A T << S- 0 0 49 -4,-1.0 3,-0.1 -3,-0.5 -3,-0.0 -0.025 95.6 -7.7 -36.7 120.2 40.6 29.5 9.5 42 42 A Q T 3 S+ 0 0 178 1,-0.2 2,-0.3 40,-0.0 -1,-0.3 0.892 120.7 100.9 54.4 44.6 40.0 31.7 12.5 43 43 A C S < S- 0 0 29 -3,-1.5 -1,-0.2 4,-0.0 2,-0.1 -0.987 76.7-103.3-157.4 146.4 43.1 30.4 14.2 44 44 A T > - 0 0 85 -2,-0.3 4,-2.0 1,-0.1 5,-0.1 -0.386 22.3-132.3 -71.0 147.9 46.7 31.6 14.7 45 45 A D H > S+ 0 0 28 2,-0.2 4,-3.0 1,-0.2 5,-0.3 0.944 107.4 60.8 -63.8 -45.0 49.4 30.0 12.6 46 46 A A H > S+ 0 0 73 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.909 106.6 44.8 -46.7 -52.0 51.4 29.5 15.8 47 47 A L H > S+ 0 0 56 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.919 110.4 54.0 -62.5 -43.7 48.7 27.3 17.2 48 48 A V H X S+ 0 0 0 -4,-2.0 4,-3.2 1,-0.2 5,-0.3 0.958 109.6 48.3 -55.6 -49.7 48.3 25.4 13.9 49 49 A N H X S+ 0 0 35 -4,-3.0 4,-1.7 1,-0.2 -1,-0.2 0.916 107.4 56.8 -57.3 -41.1 52.0 24.6 13.9 50 50 A K H < S+ 0 0 74 -4,-2.2 4,-0.5 -5,-0.3 -1,-0.2 0.940 115.7 35.9 -55.3 -48.7 51.7 23.5 17.6 51 51 A V H >X S+ 0 0 1 -4,-2.4 4,-2.6 1,-0.2 3,-1.3 0.935 113.6 52.9 -72.5 -49.7 49.1 20.9 16.7 52 52 A T H 3X S+ 0 0 3 -4,-3.2 4,-3.4 1,-0.3 -1,-0.2 0.774 91.3 80.3 -59.6 -23.6 50.3 19.7 13.2 53 53 A K H 3< S+ 0 0 91 -4,-1.7 -1,-0.3 -5,-0.3 -2,-0.2 0.909 113.2 18.6 -47.8 -47.2 53.6 19.1 14.9 54 54 A R H X> S+ 0 0 136 -3,-1.3 3,-2.4 -4,-0.5 4,-1.4 0.866 122.3 62.4 -89.9 -44.3 52.2 15.8 16.2 55 55 A L H 3X S+ 0 0 5 -4,-2.6 4,-2.5 1,-0.3 3,-0.2 0.853 100.4 53.6 -48.2 -45.7 49.2 15.6 13.7 56 56 A F H 3< S+ 0 0 4 -4,-3.4 -1,-0.3 1,-0.2 -2,-0.1 0.423 105.5 54.9 -74.7 1.0 51.5 15.4 10.7 57 57 A E H <4 S+ 0 0 117 -3,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.753 112.6 40.4 -98.7 -34.4 53.3 12.4 12.2 58 58 A K H < S+ 0 0 97 -4,-1.4 2,-0.5 -3,-0.2 -2,-0.2 0.862 125.5 37.4 -78.6 -39.9 50.2 10.4 12.8 59 59 A Y < + 0 0 3 -4,-2.5 -1,-0.2 -5,-0.2 4,-0.0 -0.961 57.6 150.2-117.0 129.3 48.7 11.4 9.4 60 60 A R + 0 0 147 -2,-0.5 -1,-0.1 1,-0.2 -28,-0.1 0.446 63.3 39.5-133.6 -8.7 50.8 11.8 6.3 61 61 A T S >> S- 0 0 46 1,-0.1 4,-1.2 -30,-0.1 3,-1.0 -0.948 82.8-108.3-140.6 161.3 48.6 10.9 3.4 62 62 A P H 3> S+ 0 0 10 0, 0.0 4,-1.5 0, 0.0 3,-0.2 0.861 119.8 58.2 -59.2 -30.7 44.9 11.5 2.4 63 63 A H H 3> S+ 0 0 104 1,-0.2 4,-0.5 2,-0.2 32,-0.0 0.812 99.4 57.8 -67.9 -29.0 44.4 7.8 3.1 64 64 A D H <4 S+ 0 0 54 -3,-1.0 4,-0.5 1,-0.2 3,-0.3 0.873 105.7 49.9 -68.8 -35.8 45.5 8.2 6.7 65 65 A Y H >< S+ 0 0 1 -4,-1.2 3,-0.7 1,-0.2 -2,-0.2 0.897 110.9 45.6 -69.9 -45.4 42.9 10.8 7.4 66 66 A I H 3< S+ 0 0 75 -4,-1.5 -1,-0.2 1,-0.2 -2,-0.2 0.526 99.4 73.5 -79.2 -2.9 39.9 9.0 6.1 67 67 A A T 3< S+ 0 0 79 -4,-0.5 -1,-0.2 -3,-0.3 -2,-0.2 0.762 89.0 66.7 -81.1 -24.3 40.9 5.7 7.8 68 68 A V S < S- 0 0 26 -3,-0.7 2,-0.1 -4,-0.5 0, 0.0 -0.592 93.6 -98.4 -96.9 157.6 39.9 6.9 11.3 69 69 A P > - 0 0 83 0, 0.0 4,-1.6 0, 0.0 3,-0.5 -0.430 36.3-111.1 -71.3 151.1 36.4 7.7 12.6 70 70 A L H > S+ 0 0 59 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.900 116.3 60.5 -46.4 -49.3 35.4 11.3 12.7 71 71 A E H > S+ 0 0 125 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.900 103.8 48.5 -45.6 -54.5 35.6 11.3 16.5 72 72 A E H > S+ 0 0 76 -3,-0.5 4,-2.0 1,-0.2 3,-0.3 0.961 111.8 47.1 -53.6 -58.5 39.2 10.4 16.6 73 73 A L H X S+ 0 0 0 -4,-1.6 4,-1.3 1,-0.2 -1,-0.2 0.850 108.5 58.6 -53.5 -35.2 40.3 13.0 14.1 74 74 A E H >< S+ 0 0 16 -4,-2.5 3,-0.6 -5,-0.3 -1,-0.2 0.943 107.6 44.5 -60.8 -47.5 38.2 15.6 16.0 75 75 A Q H >< S+ 0 0 110 -4,-2.1 3,-1.1 -3,-0.3 4,-0.3 0.825 106.5 61.3 -67.3 -30.3 40.2 14.9 19.2 76 76 A D H 3< S+ 0 0 38 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.822 118.6 28.4 -64.9 -30.3 43.4 15.1 17.2 77 77 A I T S+ 0 0 94 -4,-0.1 4,-2.1 3,-0.1 5,-0.2 0.776 71.1 148.8 70.9 26.3 35.9 24.6 14.7 83 83 A Y H > + 0 0 50 -5,-0.2 4,-1.9 2,-0.2 5,-0.1 0.690 56.2 61.1 -68.7 -19.0 37.3 21.1 14.9 84 84 A R H > S+ 0 0 151 2,-0.2 4,-2.3 3,-0.2 5,-0.2 0.989 112.2 33.8 -71.3 -59.4 34.0 19.5 14.0 85 85 A N H > S+ 0 0 112 1,-0.2 4,-3.6 2,-0.2 -2,-0.2 0.883 119.5 53.4 -61.9 -40.5 33.6 21.0 10.5 86 86 A K H X S+ 0 0 8 -4,-2.1 4,-3.3 1,-0.2 5,-0.2 0.938 109.5 47.8 -61.8 -45.0 37.3 21.0 10.0 87 87 A A H X S+ 0 0 0 -4,-1.9 4,-1.8 2,-0.2 -1,-0.2 0.894 115.7 44.5 -62.8 -39.6 37.5 17.3 10.8 88 88 A R H X S+ 0 0 39 -4,-2.3 4,-2.3 2,-0.2 5,-0.3 0.942 115.1 49.6 -70.1 -43.6 34.5 16.5 8.5 89 89 A N H X S+ 0 0 44 -4,-3.6 4,-3.9 2,-0.2 5,-0.2 0.957 109.2 50.2 -58.3 -55.4 36.0 18.8 5.8 90 90 A I H X S+ 0 0 0 -4,-3.3 4,-3.5 1,-0.2 5,-0.3 0.946 111.3 48.3 -49.7 -55.3 39.5 17.3 5.9 91 91 A Q H X S+ 0 0 35 -4,-1.8 4,-2.0 1,-0.2 -1,-0.2 0.926 117.0 42.0 -54.5 -46.3 38.1 13.7 5.5 92 92 A K H X S+ 0 0 54 -4,-2.3 4,-2.0 1,-0.2 -1,-0.2 0.906 113.3 54.4 -67.2 -38.9 35.9 14.7 2.7 93 93 A L H X S+ 0 0 0 -4,-3.9 4,-2.1 -5,-0.3 -2,-0.2 0.930 108.4 48.4 -58.9 -46.0 38.7 16.8 1.2 94 94 A C H X S+ 0 0 0 -4,-3.5 4,-1.9 -5,-0.2 -1,-0.2 0.892 107.1 56.2 -63.1 -38.3 41.0 13.8 1.3 95 95 A A H X S+ 0 0 42 -4,-2.0 4,-3.5 -5,-0.3 -1,-0.2 0.898 107.6 49.6 -59.2 -41.4 38.4 11.6 -0.4 96 96 A M H X>S+ 0 0 55 -4,-2.0 4,-3.6 2,-0.2 5,-1.3 0.931 103.2 57.6 -64.9 -47.4 38.2 14.0 -3.3 97 97 A L H X5S+ 0 0 1 -4,-2.1 6,-2.1 1,-0.2 4,-1.2 0.936 116.2 39.2 -47.5 -47.4 41.9 14.1 -3.7 98 98 A I H <5S+ 0 0 61 -4,-1.9 4,-0.3 5,-0.2 -2,-0.2 0.947 120.9 41.5 -68.1 -51.7 41.6 10.4 -4.2 99 99 A D H <5S+ 0 0 135 -4,-3.5 -3,-0.2 1,-0.1 -2,-0.2 0.895 135.9 10.6 -67.2 -42.2 38.4 10.3 -6.2 100 100 A K H <5S+ 0 0 84 -4,-3.6 -3,-0.2 -5,-0.2 -2,-0.2 0.597 124.8 52.0-115.7 -14.3 39.0 13.2 -8.5 101 101 A Y S >< - 0 0 84 1,-0.2 4,-2.7 2,-0.0 5,-0.2 -0.873 65.4-147.7-102.6 118.6 44.5 24.8 -10.0 109 109 A R H > S+ 0 0 57 -2,-0.6 4,-1.7 1,-0.3 -1,-0.2 0.878 100.2 46.2 -46.8 -51.8 43.2 27.6 -7.8 110 110 A D H > S+ 0 0 88 1,-0.2 4,-0.5 2,-0.2 -1,-0.3 0.888 110.8 54.2 -63.1 -37.9 39.6 27.1 -8.8 111 111 A E H >4 S+ 0 0 60 1,-0.2 3,-1.9 2,-0.2 4,-0.5 0.946 104.7 54.3 -61.3 -45.5 40.0 23.4 -8.5 112 112 A L H >< S+ 0 0 0 -4,-2.7 3,-2.4 1,-0.3 -1,-0.2 0.900 99.1 62.2 -54.6 -42.2 41.2 23.8 -4.9 113 113 A M H 3< S+ 0 0 75 -4,-1.7 -1,-0.3 1,-0.3 -2,-0.2 0.685 88.7 69.8 -60.1 -17.1 38.1 25.8 -4.0 114 114 A K T << S+ 0 0 127 -3,-1.9 -1,-0.3 -4,-0.5 -2,-0.2 0.780 83.0 94.8 -70.5 -22.2 36.0 22.7 -4.9 115 115 A L S X S- 0 0 2 -3,-2.4 3,-2.1 -4,-0.5 2,-0.1 -0.529 89.3-109.2 -74.5 130.8 37.5 21.3 -1.7 116 116 A P T 3 S+ 0 0 30 0, 0.0 -23,-0.1 0, 0.0 -1,-0.1 -0.344 105.5 19.5 -58.6 128.5 35.4 21.7 1.5 117 117 A G T 3 S+ 0 0 41 1,-0.2 2,-0.7 -4,-0.1 -76,-0.2 0.341 101.4 110.1 90.1 -7.7 37.0 24.2 3.9 118 118 A V < + 0 0 9 -3,-2.1 -1,-0.2 -5,-0.2 2,-0.1 -0.901 42.0 169.5-108.6 107.5 39.0 25.6 1.0 119 119 A G > - 0 0 37 -2,-0.7 4,-2.8 -3,-0.1 5,-0.2 -0.303 53.5 -81.5 -99.3-173.5 37.9 29.1 0.0 120 120 A R H > S+ 0 0 77 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.937 128.4 51.0 -58.4 -49.4 39.6 31.5 -2.3 121 121 A K H > S+ 0 0 57 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.936 113.6 44.9 -52.8 -51.0 42.0 32.8 0.2 122 122 A T H > S+ 0 0 14 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.916 112.3 52.2 -61.4 -43.9 43.1 29.3 1.2 123 123 A A H X S+ 0 0 0 -4,-2.8 4,-2.2 1,-0.2 -1,-0.2 0.865 108.9 50.9 -62.0 -36.1 43.3 28.3 -2.5 124 124 A N H X S+ 0 0 2 -4,-2.7 4,-2.1 2,-0.2 5,-0.3 0.906 106.8 52.5 -69.8 -40.5 45.6 31.3 -3.2 125 125 A V H X S+ 0 0 10 -4,-2.1 4,-2.9 -5,-0.2 5,-0.5 0.927 111.9 48.8 -59.1 -44.5 48.0 30.5 -0.4 126 126 A V H X>S+ 0 0 0 -4,-2.0 4,-2.0 2,-0.2 5,-1.3 0.946 110.9 44.7 -64.4 -52.2 48.3 27.0 -1.7 127 127 A V H X5S+ 0 0 2 -4,-2.2 6,-1.9 3,-0.2 4,-0.9 0.953 121.3 42.3 -58.6 -45.7 49.0 27.7 -5.4 128 128 A S H X5S+ 0 0 10 -4,-2.1 4,-0.6 4,-0.3 -2,-0.2 0.871 122.7 33.2 -67.6 -46.2 51.4 30.4 -4.4 129 129 A T H <5S+ 0 0 39 -4,-2.9 -3,-0.2 -5,-0.3 -2,-0.2 0.902 132.6 28.1 -81.3 -43.4 53.4 28.9 -1.6 130 130 A A H <5S+ 0 0 31 -4,-2.0 -3,-0.2 -5,-0.5 -2,-0.2 0.886 135.7 27.0 -85.3 -40.3 53.3 25.3 -2.7 131 131 A F H <> - 0 0 26 -2,-0.8 4,-2.9 -18,-0.1 3,-1.2 -0.632 60.0 -70.8-120.7-178.7 43.3 37.5 4.9 140 140 A T H 3> S+ 0 0 88 1,-0.3 4,-2.3 -2,-0.2 5,-0.2 0.837 131.9 46.1 -38.4 -48.6 42.5 39.4 8.1 141 141 A H H 3> S+ 0 0 36 1,-0.2 4,-1.6 2,-0.2 -1,-0.3 0.799 114.6 45.4 -70.0 -31.9 46.0 41.0 8.0 142 142 A V H <> S+ 0 0 0 -3,-1.2 4,-2.5 2,-0.2 -2,-0.2 0.893 114.2 48.8 -79.3 -38.0 45.9 42.0 4.4 143 143 A E H X S+ 0 0 61 -4,-2.9 4,-2.4 2,-0.2 -2,-0.2 0.932 114.6 44.1 -65.7 -47.0 42.4 43.4 4.5 144 144 A R H X S+ 0 0 27 -4,-2.3 4,-2.8 -5,-0.3 5,-0.3 0.974 114.3 48.6 -62.7 -55.8 43.0 45.5 7.6 145 145 A V H X S+ 0 0 0 -4,-1.6 4,-2.2 1,-0.2 6,-0.3 0.938 112.5 49.4 -50.2 -52.1 46.3 46.8 6.4 146 146 A S H X>S+ 0 0 0 -4,-2.5 5,-2.9 1,-0.2 4,-1.0 0.927 114.5 45.5 -54.3 -45.9 44.9 47.7 3.0 147 147 A K H <5S+ 0 0 17 -4,-2.4 -1,-0.2 3,-0.2 -2,-0.2 0.862 112.5 46.8 -71.1 -35.5 41.9 49.5 4.6 148 148 A R H <5S+ 0 0 19 -4,-2.8 59,-1.1 1,-0.2 60,-0.2 0.930 115.2 45.9 -71.0 -45.3 43.8 51.5 7.3 149 149 A L H <5S- 0 0 10 -4,-2.2 57,-0.3 -5,-0.3 -1,-0.2 0.671 115.6-114.5 -70.8 -19.1 46.5 52.8 4.9 150 150 A G T <5 + 0 0 17 -4,-1.0 -148,-2.6 -5,-0.3 -3,-0.2 0.796 69.1 142.5 88.2 29.2 43.9 53.6 2.3 151 151 A F S - 0 0 86 -2,-0.3 3,-1.9 1,-0.1 -6,-0.1 -0.432 42.2-124.6 -71.9 141.8 37.8 51.7 0.4 154 154 A W T 3 S+ 0 0 147 1,-0.3 -1,-0.1 -2,-0.1 -7,-0.1 0.581 112.5 50.4 -61.7 -6.7 37.0 50.8 4.0 155 155 A D T 3 S+ 0 0 109 2,-0.1 -1,-0.3 -8,-0.0 2,-0.1 0.308 81.0 119.7-116.6 10.3 34.0 49.0 2.5 156 156 A D < - 0 0 43 -3,-1.9 2,-0.1 1,-0.1 -9,-0.0 -0.410 64.8-111.6 -77.3 151.5 35.4 46.8 -0.3 157 157 A S > - 0 0 68 1,-0.1 4,-2.4 -2,-0.1 3,-0.2 -0.398 30.6-109.7 -75.3 157.4 35.1 43.0 -0.4 158 158 A V H > S+ 0 0 65 1,-0.3 4,-2.8 2,-0.2 -1,-0.1 0.858 124.9 57.2 -56.5 -31.6 38.3 41.0 0.1 159 159 A L H > S+ 0 0 49 2,-0.2 4,-3.0 1,-0.2 -1,-0.3 0.924 104.5 48.9 -64.2 -45.2 37.9 40.2 -3.5 160 160 A E H > S+ 0 0 23 -3,-0.2 4,-2.6 2,-0.2 -2,-0.2 0.882 111.5 50.3 -62.7 -37.8 37.9 43.9 -4.4 161 161 A V H X S+ 0 0 0 -4,-2.4 4,-3.0 2,-0.2 5,-0.2 0.945 110.2 50.1 -63.9 -46.6 41.0 44.3 -2.3 162 162 A E H X S+ 0 0 7 -4,-2.8 4,-2.8 1,-0.2 -2,-0.2 0.946 112.9 45.6 -56.1 -52.3 42.6 41.3 -4.1 163 163 A K H X S+ 0 0 103 -4,-3.0 4,-1.9 2,-0.2 -1,-0.2 0.888 111.9 53.1 -60.2 -39.4 41.8 42.8 -7.5 164 164 A T H >X S+ 0 0 30 -4,-2.6 4,-1.2 -5,-0.2 3,-0.6 0.983 111.8 43.6 -59.8 -57.0 43.0 46.2 -6.4 165 165 A L H >X S+ 0 0 2 -4,-3.0 4,-1.4 1,-0.2 3,-1.0 0.916 110.3 56.3 -54.8 -44.8 46.4 44.9 -5.3 166 166 A M H 3< S+ 0 0 54 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.863 103.1 56.1 -55.8 -36.2 46.6 42.7 -8.5 167 167 A K H << S+ 0 0 160 -4,-1.9 -1,-0.3 -3,-0.6 -2,-0.2 0.817 118.8 32.6 -65.4 -30.3 46.2 45.9 -10.5 168 168 A I H << S+ 0 0 46 -4,-1.2 -2,-0.2 -3,-1.0 -3,-0.1 0.939 103.0 65.4 -89.8 -77.0 49.2 47.4 -8.7 169 169 A I S < S- 0 0 7 -4,-1.4 5,-0.1 1,-0.1 2,-0.1 -0.145 90.0-106.3 -51.6 137.8 51.9 44.9 -7.7 170 170 A P >> - 0 0 72 0, 0.0 3,-3.0 0, 0.0 4,-0.5 -0.453 29.7-113.4 -67.7 144.9 53.7 43.2 -10.7 171 171 A K G >4 S+ 0 0 114 1,-0.3 3,-1.0 2,-0.2 4,-0.4 0.831 116.5 63.0 -43.7 -39.0 52.6 39.6 -11.1 172 172 A E G 34 S+ 0 0 145 1,-0.2 -1,-0.3 2,-0.1 4,-0.2 0.668 108.2 39.2 -64.2 -19.6 56.1 38.6 -10.1 173 173 A E G <> S+ 0 0 98 -3,-3.0 4,-2.8 2,-0.1 5,-0.3 0.317 81.3 101.9-118.1 11.9 55.8 40.1 -6.6 174 174 A W H S+ 0 0 26 -4,-0.4 4,-2.3 1,-0.2 -1,-0.2 0.942 118.1 41.5 -53.5 -57.2 53.2 36.3 -3.3 176 176 A I H > S+ 0 0 49 -4,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.934 116.0 50.8 -58.9 -47.0 56.2 38.0 -1.6 177 177 A T H X S+ 0 0 8 -4,-2.8 4,-2.6 1,-0.2 3,-0.4 0.969 108.1 52.1 -53.7 -56.5 54.2 41.3 -1.3 178 178 A H H X S+ 0 0 3 -4,-3.3 4,-2.2 1,-0.3 -1,-0.2 0.883 110.0 50.7 -45.4 -47.4 51.2 39.5 0.2 179 179 A H H X S+ 0 0 24 -4,-2.3 4,-2.4 -5,-0.2 -1,-0.3 0.895 108.0 50.9 -61.7 -41.2 53.6 37.9 2.8 180 180 A R H X S+ 0 0 55 -4,-2.4 4,-3.6 -3,-0.4 -1,-0.2 0.910 109.7 51.5 -65.3 -38.4 55.2 41.2 3.7 181 181 A M H X S+ 0 0 0 -4,-2.6 4,-2.7 2,-0.2 5,-0.3 0.926 107.7 51.3 -64.3 -42.4 51.7 42.7 4.3 182 182 A I H X S+ 0 0 13 -4,-2.2 4,-4.1 -5,-0.2 5,-0.3 0.952 115.1 43.4 -57.6 -47.8 50.8 39.8 6.5 183 183 A F H X S+ 0 0 18 -4,-2.4 4,-3.0 2,-0.2 5,-0.5 0.922 111.2 54.4 -61.0 -47.8 53.9 40.4 8.5 184 184 A F H X>S+ 0 0 2 -4,-3.6 5,-3.2 1,-0.2 4,-0.9 0.882 120.0 33.5 -55.5 -40.4 53.4 44.2 8.5 185 185 A G H <5S+ 0 0 0 -4,-2.7 -2,-0.2 3,-0.2 -1,-0.2 0.878 119.1 49.1 -85.2 -40.1 49.9 43.6 9.9 186 186 A R H <5S+ 0 0 53 -4,-4.1 -3,-0.2 -5,-0.3 -2,-0.2 0.904 128.7 22.8 -66.6 -39.3 50.6 40.6 12.1 187 187 A Y H <5S+ 0 0 119 -4,-3.0 -1,-0.2 -5,-0.3 -3,-0.2 0.494 138.8 12.6-106.9 -6.8 53.7 42.1 13.8 188 188 A H T <5S+ 0 0 27 -4,-0.9 2,-2.4 -5,-0.5 7,-1.7 0.555 122.2 43.3-130.3 -71.2 53.3 45.9 13.3 189 189 A C S + 0 0 34 -7,-1.7 3,-1.0 1,-0.2 -6,-0.1 -0.296 57.9 144.7 -87.7 50.5 52.5 50.6 16.4 196 196 A C G > + 0 0 15 -2,-1.1 3,-2.8 1,-0.2 6,-0.2 0.896 57.4 68.4 -54.7 -48.6 51.5 53.9 14.7 197 197 A P G 3 S+ 0 0 99 0, 0.0 -1,-0.2 0, 0.0 -2,-0.1 0.784 115.4 27.2 -42.1 -37.8 53.8 56.1 16.8 198 198 A S G < S+ 0 0 90 -3,-1.0 -2,-0.2 4,-0.0 -3,-0.1 0.105 90.5 133.1-114.4 18.5 56.8 54.6 15.2 199 199 A C X - 0 0 20 -3,-2.8 3,-2.7 1,-0.1 4,-0.3 -0.643 51.8-148.1 -81.5 119.3 55.2 53.7 11.9 200 200 A P T 3 S+ 0 0 52 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 0.512 101.2 51.6 -57.3 -7.0 57.3 54.7 8.8 201 201 A L T >> S+ 0 0 0 1,-0.1 3,-1.4 -5,-0.1 4,-0.8 0.323 73.6 101.7-115.0 3.1 53.9 55.2 7.1 202 202 A L G X4 S+ 0 0 30 -3,-2.7 3,-0.7 1,-0.2 7,-0.4 0.859 72.6 69.1 -56.4 -34.2 52.2 57.4 9.6 203 203 A H G 34 S+ 0 0 104 -4,-0.3 -1,-0.2 1,-0.3 -2,-0.1 0.768 115.3 22.5 -58.5 -28.7 52.9 60.4 7.3 204 204 A L G <4 S+ 0 0 19 -3,-1.4 2,-0.8 -198,-0.1 -1,-0.3 0.285 100.7 105.1-119.6 8.1 50.4 59.2 4.6 205 205 A C S+ 0 0 71 -2,-0.8 4,-2.4 -57,-0.3 -1,-0.2 0.852 90.9 53.5 -55.7 -37.5 44.9 58.5 7.6 207 207 A E H > S+ 0 0 40 -59,-1.1 4,-2.0 2,-0.2 -1,-0.2 0.854 108.7 48.6 -67.6 -37.8 44.3 55.7 10.2 208 208 A G H > S+ 0 0 4 -3,-0.4 4,-2.7 2,-0.2 -2,-0.2 0.988 113.0 45.2 -65.5 -59.2 47.6 56.4 12.0 209 209 A K H X S+ 0 0 109 -4,-2.2 4,-2.4 -7,-0.4 -2,-0.2 0.923 113.4 51.9 -48.2 -51.5 47.1 60.2 12.2 210 210 A K H X S+ 0 0 94 -4,-2.4 4,-1.9 1,-0.2 -1,-0.3 0.902 112.3 45.9 -53.4 -45.0 43.5 59.6 13.3 211 211 A R H < S+ 0 0 92 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.843 108.7 56.3 -68.5 -34.2 44.8 57.2 16.0 212 212 A M H < S+ 0 0 91 -4,-2.7 -2,-0.2 1,-0.1 -1,-0.2 0.921 108.9 46.1 -63.7 -45.9 47.5 59.6 17.1 213 213 A R H < 0 0 90 -4,-2.4 -2,-0.2 -5,-0.2 -3,-0.1 0.994 360.0 360.0 -60.3 -63.9 45.0 62.4 17.8 214 214 A K < 0 0 95 -4,-1.9 -3,-0.0 -5,-0.2 0, 0.0 0.182 360.0 360.0 -58.1 360.0 42.6 60.3 19.7