==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=5-APR-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE/DNA 29-OCT-12 4HSB . COMPND 2 MOLECULE: PROBABLE DNA-3-METHYLADENINE GLYCOSYLASE 2; . SOURCE 2 ORGANISM_SCIENTIFIC: SCHIZOSACCHAROMYCES POMBE 972H-; . AUTHOR S.ADHIKARY,B.F.EICHMAN . 205 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10576.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 137 66.8 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 . 3 1.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 26 12.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 96 46.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 2.9 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 1 2 0 1 1 1 4 1 0 0 0 2 0 0 0 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 5 A S > 0 0 107 0, 0.0 4,-2.1 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 161.9 10.0 7.9 0.8 2 6 A D H > + 0 0 81 2,-0.2 4,-2.8 1,-0.2 5,-0.2 0.823 360.0 57.2 -65.1 -33.3 8.9 4.6 -0.7 3 7 A Y H > S+ 0 0 54 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.933 107.7 47.2 -62.5 -44.6 11.8 2.8 1.1 4 8 A K H > S+ 0 0 46 2,-0.2 4,-2.1 1,-0.2 -2,-0.2 0.927 114.6 47.0 -61.8 -43.0 10.5 4.1 4.4 5 9 A R H X S+ 0 0 168 -4,-2.1 4,-2.7 2,-0.2 -2,-0.2 0.899 111.7 50.8 -63.4 -41.7 7.0 3.0 3.5 6 10 A A H X S+ 0 0 0 -4,-2.8 4,-3.0 2,-0.2 5,-0.3 0.918 109.0 51.3 -61.1 -45.0 8.3 -0.4 2.3 7 11 A E H X S+ 0 0 36 -4,-2.7 4,-2.1 1,-0.2 -1,-0.2 0.895 114.0 43.8 -62.4 -40.5 10.2 -0.9 5.6 8 12 A K H X S+ 0 0 147 -4,-2.1 4,-1.3 -5,-0.2 -1,-0.2 0.876 113.2 51.8 -72.6 -34.9 7.0 -0.1 7.6 9 13 A H H < S+ 0 0 58 -4,-2.7 4,-0.5 2,-0.2 3,-0.3 0.951 112.4 45.0 -64.6 -49.5 4.8 -2.3 5.3 10 14 A L H >X S+ 0 0 0 -4,-3.0 3,-1.6 1,-0.2 4,-0.7 0.932 112.2 51.4 -59.9 -47.5 7.1 -5.3 5.6 11 15 A S H 3< S+ 0 0 28 -4,-2.1 7,-0.4 1,-0.3 -1,-0.2 0.779 104.2 60.7 -60.2 -26.7 7.5 -4.9 9.4 12 16 A S T 3< S+ 0 0 99 -4,-1.3 -1,-0.3 -3,-0.3 -2,-0.2 0.600 89.2 72.2 -75.9 -13.4 3.7 -4.7 9.6 13 17 A I T <4 S- 0 0 46 -3,-1.6 2,-0.3 -4,-0.5 -1,-0.2 0.963 113.8 -46.1 -70.3 -52.6 3.2 -8.2 8.1 14 18 A D X - 0 0 57 -4,-0.7 4,-2.3 -3,-0.1 -1,-0.3 -0.966 59.7 -82.3-168.6 175.9 4.4 -10.2 11.2 15 19 A N H > S+ 0 0 75 -2,-0.3 4,-2.7 1,-0.2 5,-0.2 0.822 120.8 54.2 -61.0 -37.0 7.1 -10.4 13.8 16 20 A K H > S+ 0 0 84 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.928 110.5 45.6 -66.2 -44.1 9.7 -12.3 11.7 17 21 A W H > S+ 0 0 3 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.917 112.7 52.7 -59.8 -43.2 9.5 -9.6 8.9 18 22 A S H X S+ 0 0 31 -4,-2.3 4,-2.2 -7,-0.4 -2,-0.2 0.944 111.2 45.9 -57.3 -48.8 9.8 -7.0 11.6 19 23 A S H X S+ 0 0 51 -4,-2.7 4,-2.6 1,-0.2 5,-0.2 0.898 110.8 52.3 -62.9 -43.8 12.9 -8.6 13.1 20 24 A L H X S+ 0 0 8 -4,-2.6 4,-2.5 2,-0.2 5,-0.3 0.925 110.1 48.3 -57.5 -45.2 14.5 -9.1 9.7 21 25 A V H X S+ 0 0 12 -4,-2.5 4,-2.5 1,-0.2 -2,-0.2 0.910 113.5 47.8 -64.9 -40.7 14.1 -5.4 8.8 22 26 A K H < S+ 0 0 152 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.877 113.1 47.7 -64.4 -42.6 15.5 -4.4 12.2 23 27 A K H < S+ 0 0 152 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.906 118.8 38.9 -65.4 -43.7 18.5 -6.7 11.9 24 28 A V H < S- 0 0 33 -4,-2.5 -2,-0.2 -5,-0.2 -1,-0.2 0.865 102.4-150.4 -77.9 -35.8 19.4 -5.6 8.3 25 29 A G < - 0 0 19 -4,-2.5 -1,-0.2 -5,-0.3 -2,-0.1 -0.449 46.1 -6.6 93.8-171.5 18.6 -2.0 8.9 26 30 A P S S- 0 0 92 0, 0.0 2,-0.2 0, 0.0 -22,-0.1 -0.220 83.0 -98.4 -58.9 144.1 17.3 0.6 6.4 27 31 A C + 0 0 11 -24,-0.1 -24,-0.1 1,-0.1 -20,-0.0 -0.440 39.1 178.3 -66.4 130.7 17.1 -0.5 2.8 28 32 A T + 0 0 99 -2,-0.2 -1,-0.1 -3,-0.1 -3,-0.0 0.165 23.6 147.6-121.9 14.8 20.2 0.7 0.8 29 33 A L - 0 0 12 1,-0.1 164,-0.0 164,-0.0 -2,-0.0 -0.302 29.9-164.1 -50.5 126.5 19.3 -0.9 -2.5 30 34 A T - 0 0 97 2,-0.0 2,-0.1 116,-0.0 -1,-0.1 -0.862 6.1-172.4-127.5 95.6 20.7 1.5 -5.1 31 35 A P - 0 0 32 0, 0.0 116,-0.3 0, 0.0 115,-0.1 -0.375 20.4-136.3 -82.7 171.0 19.4 1.0 -8.7 32 36 A H > + 0 0 77 114,-1.9 3,-1.8 1,-0.1 116,-0.1 -0.629 31.9 163.0-128.2 74.1 20.8 2.9 -11.7 33 37 A P T 3 + 0 0 55 0, 0.0 -1,-0.1 0, 0.0 114,-0.1 0.611 69.8 74.2 -70.7 -11.3 17.8 4.1 -13.8 34 38 A E T 3 S+ 0 0 117 -3,-0.1 2,-0.1 113,-0.1 114,-0.1 0.670 76.7 101.5 -70.9 -17.7 20.2 6.5 -15.6 35 39 A H S < S- 0 0 33 -3,-1.8 -3,-0.0 112,-0.2 112,-0.0 -0.438 81.1-114.6 -70.2 139.2 21.6 3.5 -17.4 36 40 A A > - 0 0 34 -2,-0.1 4,-2.6 1,-0.1 3,-0.4 -0.377 29.7-110.2 -63.8 151.0 20.4 3.0 -21.0 37 41 A P H > S+ 0 0 11 0, 0.0 4,-3.0 0, 0.0 5,-0.3 0.914 118.4 54.3 -51.0 -48.3 18.4 -0.2 -21.5 38 42 A Y H > S+ 0 0 33 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.871 111.3 47.1 -59.9 -33.9 21.2 -1.9 -23.6 39 43 A E H > S+ 0 0 22 -3,-0.4 4,-2.7 2,-0.2 -1,-0.2 0.945 113.4 46.0 -70.2 -48.2 23.6 -1.2 -20.7 40 44 A G H X S+ 0 0 1 -4,-2.6 4,-2.2 1,-0.2 -2,-0.2 0.902 114.6 49.4 -60.5 -39.3 21.2 -2.5 -18.0 41 45 A I H X S+ 0 0 1 -4,-3.0 4,-2.8 -5,-0.2 -1,-0.2 0.928 110.9 48.0 -68.6 -44.2 20.4 -5.5 -20.1 42 46 A I H X S+ 0 0 0 -4,-2.3 4,-2.5 -5,-0.3 -2,-0.2 0.939 111.4 51.5 -62.4 -42.3 24.1 -6.4 -20.7 43 47 A R H X S+ 0 0 83 -4,-2.7 4,-1.6 1,-0.2 -1,-0.2 0.911 111.8 47.0 -58.3 -43.1 24.9 -5.9 -17.0 44 48 A A H X S+ 0 0 7 -4,-2.2 4,-0.7 2,-0.2 -2,-0.2 0.913 111.1 50.9 -67.4 -42.3 22.0 -8.3 -16.1 45 49 A I H >< S+ 0 0 0 -4,-2.8 3,-1.2 1,-0.2 -2,-0.2 0.922 108.3 52.6 -58.4 -44.8 23.1 -10.9 -18.7 46 50 A T H 3< S+ 0 0 0 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.894 103.2 59.0 -59.0 -40.0 26.7 -10.8 -17.4 47 51 A S H >< S+ 0 0 27 -4,-1.6 3,-2.1 -5,-0.2 -1,-0.3 0.630 75.1 122.3 -67.9 -15.8 25.5 -11.5 -13.9 48 52 A Q T << S- 0 0 43 -3,-1.2 3,-0.1 -4,-0.7 -3,-0.0 -0.285 93.0 -13.1 -54.4 121.7 23.8 -14.8 -14.8 49 53 A K T 3 S+ 0 0 111 1,-0.2 2,-0.3 -2,-0.1 -1,-0.3 0.640 116.2 108.7 62.0 16.5 25.2 -17.7 -12.7 50 54 A L S < S- 0 0 70 -3,-2.1 -1,-0.2 1,-0.0 0, 0.0 -0.944 72.4-110.7-125.3 147.0 28.1 -15.5 -11.6 51 55 A S > - 0 0 75 -2,-0.3 4,-2.5 1,-0.1 5,-0.2 -0.228 34.7-110.6 -63.2 160.7 29.0 -13.8 -8.2 52 56 A D H > S+ 0 0 81 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.878 120.4 55.2 -61.8 -36.1 28.7 -10.1 -8.0 53 57 A A H > S+ 0 0 69 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.895 109.5 45.2 -63.0 -41.6 32.5 -9.9 -7.8 54 58 A A H > S+ 0 0 29 2,-0.2 4,-2.4 1,-0.2 -2,-0.2 0.941 112.6 50.6 -67.8 -47.4 32.9 -11.9 -11.0 55 59 A T H X S+ 0 0 18 -4,-2.5 4,-2.3 1,-0.2 5,-0.2 0.896 111.1 50.6 -55.4 -43.8 30.3 -9.8 -12.8 56 60 A N H X S+ 0 0 106 -4,-2.5 4,-2.1 2,-0.2 -1,-0.2 0.893 109.3 48.5 -61.2 -45.6 32.1 -6.7 -11.6 57 61 A S H X S+ 0 0 70 -4,-2.0 4,-2.2 1,-0.2 -2,-0.2 0.914 112.6 50.1 -63.4 -41.8 35.6 -7.8 -12.8 58 62 A I H X S+ 0 0 15 -4,-2.4 4,-2.7 2,-0.2 -2,-0.2 0.932 111.0 46.3 -62.2 -48.2 34.1 -8.7 -16.2 59 63 A I H X S+ 0 0 8 -4,-2.3 4,-2.6 1,-0.2 -1,-0.2 0.890 111.9 53.1 -65.9 -37.2 32.3 -5.4 -16.8 60 64 A N H X S+ 0 0 97 -4,-2.1 4,-1.8 2,-0.2 -1,-0.2 0.901 110.6 45.2 -64.2 -42.4 35.4 -3.5 -15.7 61 65 A K H X S+ 0 0 120 -4,-2.2 4,-2.3 28,-0.2 5,-0.2 0.910 111.1 56.2 -64.9 -40.9 37.6 -5.4 -18.2 62 66 A F H X S+ 0 0 0 -4,-2.7 4,-2.6 1,-0.2 5,-0.4 0.914 107.7 47.3 -54.7 -49.9 34.8 -4.8 -20.8 63 67 A C H X S+ 0 0 14 -4,-2.6 4,-2.0 1,-0.2 7,-0.5 0.902 113.6 47.1 -60.6 -43.2 35.0 -1.0 -20.3 64 68 A T H < S+ 0 0 68 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.849 118.0 42.2 -69.7 -32.5 38.8 -0.9 -20.5 65 69 A Q H < S+ 0 0 95 -4,-2.3 -2,-0.2 -5,-0.2 -1,-0.2 0.855 127.4 25.7 -83.2 -36.0 38.9 -3.1 -23.6 66 70 A C H < S+ 0 0 13 -4,-2.6 2,-0.3 -5,-0.2 8,-0.2 0.675 102.1 82.1-108.3 -21.8 36.0 -1.6 -25.6 67 71 A S < - 0 0 14 -4,-2.0 3,-0.3 -5,-0.4 5,-0.1 -0.643 61.7-147.2 -88.8 147.6 35.5 2.0 -24.4 68 72 A D S S+ 0 0 130 -2,-0.3 -1,-0.1 1,-0.2 -4,-0.1 0.558 107.0 29.7 -73.3 -10.2 37.5 5.0 -25.7 69 73 A N S S- 0 0 109 -6,-0.2 -1,-0.2 2,-0.2 -5,-0.1 0.210 112.1-105.6-140.0 6.8 37.1 6.4 -22.2 70 74 A D S S+ 0 0 102 -7,-0.5 -6,-0.2 -3,-0.3 2,-0.2 0.755 85.5 122.2 53.2 27.9 36.8 3.4 -19.8 71 75 A E S S- 0 0 61 -8,-0.3 -1,-0.2 1,-0.2 -2,-0.2 -0.439 82.8 -60.2 -97.2-178.8 33.1 4.2 -19.6 72 76 A F - 0 0 23 -2,-0.2 -1,-0.2 -3,-0.1 -33,-0.1 -0.472 69.1-105.0 -64.4 132.0 30.4 1.6 -20.6 73 77 A P - 0 0 0 0, 0.0 -6,-0.1 0, 0.0 -1,-0.1 -0.294 31.8-124.3 -60.4 143.7 31.0 0.7 -24.2 74 78 A T > - 0 0 56 -8,-0.2 4,-2.4 1,-0.1 5,-0.2 -0.379 28.3-103.7 -77.2 164.5 28.6 2.2 -26.8 75 79 A P H > S+ 0 0 23 0, 0.0 4,-2.4 0, 0.0 5,-0.2 0.918 124.3 49.8 -55.0 -44.2 26.6 -0.1 -29.1 76 80 A K H > S+ 0 0 38 1,-0.2 4,-1.6 2,-0.2 5,-0.1 0.909 109.8 50.9 -60.2 -44.3 29.0 0.9 -32.0 77 81 A Q H 4 S+ 0 0 31 2,-0.2 4,-0.3 1,-0.2 -1,-0.2 0.900 110.9 48.3 -61.0 -42.3 32.0 0.2 -29.8 78 82 A I H >< S+ 0 0 0 -4,-2.4 3,-1.5 1,-0.2 -1,-0.2 0.916 110.1 52.2 -63.0 -44.8 30.7 -3.3 -28.9 79 83 A M H 3< S+ 0 0 55 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.797 105.3 55.7 -60.1 -32.1 29.9 -4.0 -32.6 80 84 A E T 3< S+ 0 0 156 -4,-1.6 2,-0.5 -5,-0.2 -1,-0.3 0.501 92.9 87.3 -81.2 -5.0 33.5 -3.1 -33.5 81 85 A T S < S- 0 0 19 -3,-1.5 -15,-0.0 -4,-0.3 5,-0.0 -0.840 79.9-127.1-100.4 127.0 34.9 -5.6 -31.1 82 86 A D >> - 0 0 95 -2,-0.5 4,-1.8 1,-0.1 3,-0.5 -0.317 25.7-109.5 -72.7 158.2 35.3 -9.2 -32.2 83 87 A V H 3> S+ 0 0 61 1,-0.2 4,-2.6 2,-0.2 -1,-0.1 0.817 116.3 54.5 -56.9 -36.3 33.8 -12.0 -30.2 84 88 A E H 3> S+ 0 0 95 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.859 105.2 53.1 -71.6 -33.1 37.1 -13.3 -28.9 85 89 A T H <4 S+ 0 0 35 -3,-0.5 4,-0.5 2,-0.2 -1,-0.2 0.907 112.1 45.7 -64.4 -41.5 38.1 -9.9 -27.6 86 90 A L H ><>S+ 0 0 0 -4,-1.8 3,-1.5 1,-0.2 5,-0.9 0.931 110.8 54.8 -60.0 -47.0 34.8 -9.8 -25.7 87 91 A H H ><5S+ 0 0 65 -4,-2.6 3,-2.5 1,-0.3 -2,-0.2 0.900 99.6 58.7 -57.6 -43.9 35.4 -13.4 -24.5 88 92 A E T 3<5S+ 0 0 122 -4,-2.5 -1,-0.3 1,-0.3 -2,-0.2 0.662 93.9 68.0 -65.1 -13.3 38.9 -12.6 -23.1 89 93 A C T < 5S- 0 0 7 -3,-1.5 -1,-0.3 -4,-0.5 -28,-0.2 0.678 126.7 -98.4 -72.7 -18.7 37.1 -10.0 -20.8 90 94 A G T < 5S+ 0 0 41 -3,-2.5 2,-0.2 1,-0.4 -3,-0.2 0.422 80.1 133.8 114.0 0.1 35.5 -13.1 -19.1 91 95 A F < - 0 0 2 -5,-0.9 -1,-0.4 -33,-0.1 -2,-0.1 -0.548 64.1-109.1 -67.6 146.1 32.1 -13.3 -20.7 92 96 A S > - 0 0 54 -2,-0.2 4,-2.5 1,-0.1 5,-0.2 -0.376 32.8-106.6 -64.3 159.4 31.3 -16.9 -21.8 93 97 A K H > S+ 0 0 107 1,-0.2 4,-2.0 2,-0.2 5,-0.1 0.912 122.5 51.1 -54.5 -43.6 31.3 -17.3 -25.5 94 98 A L H > S+ 0 0 95 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.908 110.7 46.8 -63.3 -43.7 27.5 -17.6 -25.5 95 99 A K H > S+ 0 0 18 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.876 108.7 56.6 -64.7 -37.7 27.2 -14.3 -23.5 96 100 A S H X S+ 0 0 0 -4,-2.5 4,-1.9 1,-0.2 -2,-0.2 0.919 109.2 45.9 -58.1 -43.3 29.7 -12.6 -25.8 97 101 A Q H X S+ 0 0 98 -4,-2.0 4,-2.1 2,-0.2 -2,-0.2 0.903 112.9 49.5 -66.7 -43.2 27.4 -13.5 -28.7 98 102 A E H X S+ 0 0 14 -4,-2.2 4,-2.3 2,-0.2 -2,-0.2 0.840 108.4 53.5 -64.4 -36.9 24.3 -12.4 -26.9 99 103 A I H X S+ 0 0 0 -4,-2.7 4,-2.5 2,-0.2 -1,-0.2 0.890 107.5 50.6 -66.2 -40.4 26.0 -9.1 -26.0 100 104 A H H X S+ 0 0 33 -4,-1.9 4,-2.8 2,-0.2 -2,-0.2 0.914 110.4 51.3 -57.7 -44.4 26.8 -8.5 -29.7 101 105 A I H X S+ 0 0 66 -4,-2.1 4,-2.4 2,-0.2 -2,-0.2 0.913 109.6 48.7 -60.3 -43.3 23.1 -9.2 -30.4 102 106 A V H X S+ 0 0 0 -4,-2.3 4,-2.4 1,-0.2 -2,-0.2 0.926 113.1 48.1 -62.4 -45.6 22.0 -6.7 -27.8 103 107 A A H X S+ 0 0 0 -4,-2.5 4,-3.3 2,-0.2 5,-0.2 0.916 111.1 49.5 -61.1 -45.3 24.4 -4.1 -29.2 104 108 A E H X S+ 0 0 101 -4,-2.8 4,-2.2 1,-0.2 -1,-0.2 0.918 111.2 49.8 -63.6 -41.1 23.3 -4.7 -32.8 105 109 A A H <>S+ 0 0 12 -4,-2.4 5,-3.7 2,-0.2 6,-0.8 0.893 113.6 45.8 -61.8 -42.3 19.6 -4.4 -31.7 106 110 A A H ><5S+ 0 0 15 -4,-2.4 3,-1.5 3,-0.2 -2,-0.2 0.941 112.3 50.4 -64.1 -49.0 20.4 -1.1 -29.9 107 111 A L H 3<5S+ 0 0 82 -4,-3.3 -2,-0.2 1,-0.3 -1,-0.2 0.847 115.1 44.4 -57.3 -35.1 22.4 0.2 -32.9 108 112 A N T 3<5S- 0 0 79 -4,-2.2 -1,-0.3 -5,-0.2 -2,-0.2 0.370 113.2-118.3 -92.2 3.8 19.5 -0.7 -35.1 109 113 A K T < 5S+ 0 0 180 -3,-1.5 -3,-0.2 -4,-0.2 -2,-0.1 0.875 75.6 129.8 60.3 40.9 16.9 0.8 -32.8 110 114 A Q < + 0 0 129 -5,-3.7 -4,-0.2 -6,-0.1 -5,-0.1 0.472 49.4 83.5-100.4 -8.2 15.2 -2.6 -32.3 111 115 A I S S- 0 0 22 -6,-0.8 3,-0.1 -9,-0.1 18,-0.1 -0.741 96.8 -99.2 -87.8 142.8 15.2 -2.4 -28.5 112 116 A P - 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0 0 109 -2,-0.6 4,-2.3 -3,-0.1 5,-0.3 -0.501 66.9 -51.6-127.4-158.6 14.5 -14.4 -20.0 137 141 A R H > S+ 0 0 77 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.862 129.9 43.4 -48.6 -51.9 12.5 -14.1 -16.8 138 142 A W H > S+ 0 0 57 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.915 114.2 49.7 -63.6 -44.6 15.4 -13.7 -14.3 139 143 A T H > S+ 0 0 6 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.893 111.8 48.8 -62.9 -41.5 17.4 -11.3 -16.4 140 144 A I H X S+ 0 0 0 -4,-2.3 4,-2.6 2,-0.2 -1,-0.2 0.889 110.8 51.1 -66.6 -39.9 14.4 -9.1 -16.9 141 145 A E H X S+ 0 0 2 -4,-2.4 4,-2.3 -5,-0.3 -2,-0.2 0.927 111.4 47.3 -60.4 -45.3 13.7 -9.2 -13.2 142 146 A M H X>S+ 0 0 12 -4,-2.6 4,-2.9 2,-0.2 5,-0.5 0.894 112.2 49.8 -66.1 -40.2 17.3 -8.2 -12.4 143 147 A Y H X>S+ 0 0 3 -4,-2.5 5,-2.2 1,-0.2 4,-1.7 0.922 111.8 49.3 -59.6 -44.2 17.1 -5.4 -15.0 144 148 A S H <>S+ 0 0 0 -4,-2.6 6,-2.7 3,-0.2 5,-0.8 0.858 119.6 37.3 -64.7 -36.4 13.8 -4.2 -13.5 145 149 A I H <5S+ 0 0 1 -4,-2.3 4,-0.3 4,-0.2 -2,-0.2 0.957 126.1 30.9 -80.3 -53.8 15.2 -4.2 -9.9 146 150 A F H <5S+ 0 0 86 -4,-2.9 -114,-1.9 -5,-0.2 -3,-0.2 0.689 134.2 23.7 -90.1 -20.0 18.8 -3.0 -10.3 147 151 A T T < + 0 0 0 0, 0.0 3,-2.0 0, 0.0 6,-0.2 -0.420 24.7 160.5 -83.0 67.1 12.3 -12.7 -8.5 156 160 A A T 3 + 0 0 0 -2,-2.4 24,-0.2 1,-0.3 23,-0.1 0.674 66.2 63.2 -66.7 -17.4 10.9 -15.9 -7.0 157 161 A D T 3 S+ 0 0 39 -3,-0.2 2,-0.3 23,-0.1 -1,-0.3 0.575 76.0 112.7 -81.3 -10.4 12.9 -17.9 -9.6 158 162 A D <> - 0 0 13 -3,-2.0 4,-2.3 1,-0.1 5,-0.2 -0.474 63.0-146.2 -70.8 125.4 16.2 -16.7 -8.2 159 163 A S H > S+ 0 0 57 -2,-0.3 4,-2.1 1,-0.2 -1,-0.1 0.894 97.4 49.5 -59.9 -44.2 18.2 -19.5 -6.6 160 164 A T H > S+ 0 0 72 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.922 110.3 50.6 -62.1 -43.9 19.7 -17.4 -3.9 161 165 A L H > S+ 0 0 0 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.900 108.5 52.7 -59.5 -42.8 16.4 -15.9 -3.0 162 166 A K H X S+ 0 0 37 -4,-2.3 4,-2.1 1,-0.2 -1,-0.2 0.911 109.4 49.6 -59.6 -42.7 14.9 -19.4 -2.7 163 167 A N H X S+ 0 0 55 -4,-2.1 4,-1.4 2,-0.2 -2,-0.2 0.874 113.5 44.5 -65.6 -37.7 17.7 -20.4 -0.4 164 168 A E H X S+ 0 0 30 -4,-2.2 4,-3.0 2,-0.2 -2,-0.2 0.865 110.9 53.9 -74.1 -35.1 17.2 -17.4 1.8 165 169 A A H X S+ 0 0 0 -4,-2.8 4,-3.0 2,-0.2 6,-0.3 0.881 103.9 57.9 -62.1 -36.8 13.4 -17.9 1.8 166 170 A K H <>S+ 0 0 75 -4,-2.1 5,-2.9 -5,-0.2 4,-0.4 0.941 112.2 40.1 -55.4 -47.5 14.1 -21.4 2.9 167 171 A E H ><5S+ 0 0 121 -4,-1.4 3,-0.6 3,-0.2 -2,-0.2 0.936 118.3 45.7 -68.4 -48.1 15.9 -20.0 6.0 168 172 A F H 3<5S+ 0 0 31 -4,-3.0 -2,-0.2 1,-0.2 -3,-0.2 0.882 117.1 42.2 -67.6 -40.6 13.4 -17.1 6.6 169 173 A F T 3<5S- 0 0 34 -4,-3.0 -1,-0.2 -5,-0.2 -2,-0.2 0.429 112.0-117.4 -89.2 2.2 10.2 -19.2 6.3 170 174 A G T < 5 + 0 0 67 -3,-0.6 2,-0.2 -4,-0.4 -3,-0.2 0.927 53.9 165.6 66.3 46.4 11.7 -22.1 8.2 171 175 A L < - 0 0 63 -5,-2.9 -1,-0.2 -6,-0.3 3,-0.1 -0.650 40.4-142.7 -96.4 153.5 11.5 -24.6 5.4 172 176 A S S S+ 0 0 129 -2,-0.2 2,-0.3 1,-0.1 -1,-0.1 0.426 83.7 18.9 -95.9 -1.2 13.3 -27.9 5.4 173 177 A S S S- 0 0 78 -7,-0.1 -1,-0.1 -10,-0.0 -2,-0.0 -0.973 100.4 -65.6-160.8 171.0 14.1 -27.8 1.7 174 178 A K - 0 0 94 -2,-0.3 -11,-0.1 1,-0.1 -12,-0.1 -0.392 52.8-129.0 -70.5 124.7 14.4 -25.4 -1.2 175 179 A P - 0 0 4 0, 0.0 2,-0.1 0, 0.0 -9,-0.1 -0.354 19.5-114.9 -71.5 150.3 11.0 -23.8 -2.2 176 180 A Q > - 0 0 118 1,-0.1 4,-2.2 -2,-0.1 3,-0.3 -0.419 31.7-105.1 -74.8 161.3 9.8 -23.9 -5.7 177 181 A T H > S+ 0 0 23 1,-0.2 4,-2.1 2,-0.2 5,-0.1 0.905 123.3 51.1 -51.0 -45.1 9.3 -20.5 -7.6 178 182 A E H > S+ 0 0 114 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.824 107.2 53.1 -69.1 -31.7 5.6 -20.8 -7.1 179 183 A E H > S+ 0 0 95 -3,-0.3 4,-2.5 2,-0.2 -1,-0.2 0.901 108.2 50.1 -67.5 -41.4 5.9 -21.4 -3.4 180 184 A V H X S+ 0 0 0 -4,-2.2 4,-1.8 1,-0.2 -2,-0.2 0.899 107.8 54.6 -63.7 -39.3 8.0 -18.3 -3.0 181 185 A E H < S+ 0 0 55 -4,-2.1 4,-0.4 -5,-0.2 -1,-0.2 0.889 111.7 43.9 -61.5 -38.4 5.4 -16.3 -4.9 182 186 A K H >< S+ 0 0 130 -4,-1.6 3,-1.0 1,-0.2 -2,-0.2 0.925 112.3 51.8 -71.0 -44.0 2.7 -17.5 -2.5 183 187 A L H 3< S+ 0 0 61 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.783 114.9 42.3 -64.2 -29.6 4.8 -16.9 0.6 184 188 A T T >< S+ 0 0 0 -4,-1.8 3,-1.7 -5,-0.2 4,-0.4 0.359 80.1 105.4-102.9 4.4 5.7 -13.4 -0.4 185 189 A K G X S+ 0 0 108 -3,-1.0 3,-1.7 -4,-0.4 -1,-0.2 0.879 75.6 58.4 -49.9 -43.7 2.3 -12.3 -1.6 186 190 A P G 3 S+ 0 0 73 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.674 92.7 70.9 -63.3 -14.6 1.6 -10.1 1.6 187 191 A C G X S+ 0 0 1 -3,-1.7 3,-2.5 2,-0.1 -2,-0.2 0.650 81.3 147.0 -76.2 -17.7 4.8 -8.1 0.7 188 192 A K T < + 0 0 119 -3,-1.7 -36,-0.1 -4,-0.4 -35,-0.0 -0.353 54.3 28.7 -54.6 138.2 3.0 -6.5 -2.2 189 193 A P T 3 S+ 0 0 67 0, 0.0 -1,-0.3 0, 0.0 3,-0.2 -0.813 128.2 44.4 -99.6 30.3 3.4 -3.7 -3.4 190 194 A Y X> + 0 0 29 -3,-2.5 4,-2.0 1,-0.1 3,-0.5 -0.179 64.5 136.1-123.1 42.1 7.0 -3.7 -2.2 191 195 A R H 3> + 0 0 48 1,-0.2 4,-2.5 2,-0.2 -39,-0.3 0.789 68.9 61.1 -64.8 -25.6 8.1 -7.2 -3.2 192 196 A T H 3> S+ 0 0 1 -41,-2.1 4,-2.4 2,-0.2 -1,-0.2 0.935 107.5 45.0 -62.5 -43.2 11.4 -5.8 -4.6 193 197 A I H <> S+ 0 0 0 -42,-0.8 4,-2.6 -3,-0.5 -2,-0.2 0.893 110.7 53.9 -67.9 -39.1 12.3 -4.6 -1.1 194 198 A A H X S+ 0 0 0 -4,-2.0 4,-2.2 2,-0.2 -1,-0.2 0.936 109.9 47.7 -56.3 -49.0 11.1 -7.9 0.4 195 199 A A H X S+ 0 0 0 -4,-2.5 4,-2.4 -42,-0.3 -2,-0.2 0.910 109.8 53.4 -59.4 -42.8 13.5 -9.7 -1.9 196 200 A W H X S+ 0 0 20 -4,-2.4 4,-1.1 1,-0.2 -2,-0.2 0.927 108.3 49.6 -60.1 -44.7 16.3 -7.3 -1.0 197 201 A Y H >< S+ 0 0 0 -4,-2.6 3,-0.6 1,-0.2 4,-0.4 0.912 111.4 48.3 -60.2 -43.9 15.8 -8.0 2.7 198 202 A L H >< S+ 0 0 0 -4,-2.2 3,-1.5 1,-0.2 -1,-0.2 0.906 107.8 56.5 -61.8 -39.6 15.9 -11.8 2.2 199 203 A W H 3< S+ 0 0 38 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.736 100.4 59.2 -65.8 -23.4 19.0 -11.4 0.1 200 204 A Q T XX S+ 0 0 16 -4,-1.1 3,-1.4 -3,-0.6 4,-0.5 0.571 78.3 95.6 -80.6 -8.8 20.8 -9.6 3.0 201 205 A I G X4 S+ 0 0 12 -3,-1.5 3,-1.9 -4,-0.4 4,-0.4 0.878 76.0 56.8 -54.7 -43.2 20.3 -12.6 5.3 202 206 A P G >4 S+ 0 0 65 0, 0.0 3,-1.1 0, 0.0 -1,-0.3 0.797 100.2 60.9 -60.4 -24.5 23.8 -14.2 4.6 203 207 A K G <4 S+ 0 0 156 -3,-1.4 -2,-0.2 1,-0.2 -3,-0.1 0.649 92.9 66.5 -74.0 -15.2 25.4 -10.9 5.8 204 208 A L G << 0 0 70 -3,-1.9 -1,-0.2 -4,-0.5 -3,-0.1 0.611 360.0 360.0 -79.6 -14.0 23.7 -11.4 9.2 205 209 A H < 0 0 168 -3,-1.1 -2,-0.0 -4,-0.4 -4,-0.0 0.168 360.0 360.0 -98.9 360.0 25.9 -14.5 9.8