==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=25-JAN-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE/DNA 12-JUL-12 4B21 . COMPND 2 MOLECULE: PROBABLE DNA-3-METHYLADENINE GLYCOSYLASE 2; . SOURCE 2 ORGANISM_SCIENTIFIC: SCHIZOSACCHAROMYCES POMBE; . AUTHOR B.DALHUS,L.NILSEN,H.KORVALD,J.HUFFMAN,R.J.FORSTROM,C.T.MCMUR . 207 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11186.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 137 66.2 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 . 4 1.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 26 12.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 98 47.3 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 1 1 1 1 4 0 1 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 2 A S > 0 0 120 0, 0.0 4,-2.2 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 -11.8 -0.3 36.2 22.8 2 3 A K H > + 0 0 76 1,-0.2 4,-2.2 2,-0.2 5,-0.1 0.836 360.0 54.8 -65.2 -29.5 1.1 32.8 23.8 3 4 A D H > S+ 0 0 131 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.905 107.4 46.8 -68.8 -43.4 1.2 34.3 27.3 4 5 A S H > S+ 0 0 51 1,-0.2 4,-2.3 2,-0.2 -2,-0.2 0.867 111.8 53.3 -66.9 -35.0 -2.5 35.2 27.3 5 6 A D H X S+ 0 0 46 -4,-2.2 4,-2.3 2,-0.2 -2,-0.2 0.922 110.5 45.2 -64.9 -45.7 -3.3 31.8 25.9 6 7 A Y H X S+ 0 0 14 -4,-2.2 4,-2.7 2,-0.2 -2,-0.2 0.852 111.5 52.8 -67.6 -35.0 -1.4 30.0 28.8 7 8 A K H X S+ 0 0 123 -4,-2.1 4,-2.3 2,-0.2 -2,-0.2 0.936 111.4 46.4 -65.2 -45.5 -3.0 32.3 31.4 8 9 A R H X S+ 0 0 160 -4,-2.3 4,-2.2 1,-0.2 -2,-0.2 0.906 113.3 50.1 -62.1 -41.7 -6.5 31.5 30.0 9 10 A A H X S+ 0 0 0 -4,-2.3 4,-2.7 2,-0.2 5,-0.2 0.927 110.2 48.8 -62.8 -47.4 -5.6 27.8 30.0 10 11 A E H X S+ 0 0 39 -4,-2.7 4,-1.8 1,-0.2 -1,-0.2 0.887 111.1 50.8 -61.1 -39.9 -4.3 27.8 33.6 11 12 A K H < S+ 0 0 130 -4,-2.3 4,-0.3 2,-0.2 -1,-0.2 0.903 111.7 48.1 -65.6 -40.0 -7.5 29.6 34.7 12 13 A H H >< S+ 0 0 59 -4,-2.2 3,-1.6 1,-0.2 4,-0.4 0.936 110.3 49.6 -66.1 -46.8 -9.6 27.1 33.0 13 14 A L H >X S+ 0 0 0 -4,-2.7 3,-1.1 1,-0.3 4,-0.6 0.868 107.4 55.7 -61.1 -34.8 -7.8 24.0 34.4 14 15 A S T 3< S+ 0 0 46 -4,-1.8 -1,-0.3 1,-0.2 -2,-0.2 0.562 102.9 58.1 -73.8 -8.2 -8.1 25.5 37.9 15 16 A S T <4 S+ 0 0 96 -3,-1.6 -1,-0.2 -4,-0.3 -2,-0.2 0.477 90.4 73.4 -98.8 -7.3 -11.8 25.7 37.4 16 17 A I T <4 S- 0 0 43 -3,-1.1 2,-0.3 -4,-0.4 -2,-0.1 0.970 107.3 -50.1 -71.3 -59.8 -12.4 22.0 36.8 17 18 A D X - 0 0 49 -4,-0.6 4,-2.2 1,-0.1 -1,-0.2 -0.961 59.6 -75.4-166.1-179.0 -11.9 20.4 40.2 18 19 A N H > S+ 0 0 150 -2,-0.3 4,-2.6 1,-0.2 5,-0.2 0.929 121.7 51.1 -56.3 -50.8 -9.7 20.2 43.3 19 20 A K H > S+ 0 0 80 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.871 112.3 44.6 -59.9 -41.0 -7.1 18.0 41.7 20 21 A W H > S+ 0 0 3 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.916 113.6 50.4 -69.8 -41.7 -6.5 20.1 38.7 21 22 A S H X S+ 0 0 52 -4,-2.2 4,-1.9 1,-0.2 -2,-0.2 0.926 113.5 46.6 -59.8 -44.7 -6.4 23.3 40.7 22 23 A S H X S+ 0 0 45 -4,-2.6 4,-2.5 -5,-0.2 -1,-0.2 0.901 111.6 50.2 -64.6 -44.0 -3.9 21.8 43.1 23 24 A L H X S+ 0 0 10 -4,-2.2 4,-2.7 -5,-0.2 5,-0.3 0.927 111.1 48.0 -62.5 -47.0 -1.7 20.4 40.3 24 25 A V H X S+ 0 0 13 -4,-2.5 4,-2.2 1,-0.2 -1,-0.2 0.891 112.5 50.5 -61.6 -39.3 -1.5 23.8 38.5 25 26 A K H < S+ 0 0 183 -4,-1.9 -2,-0.2 -5,-0.2 -1,-0.2 0.931 113.5 44.2 -64.5 -46.5 -0.7 25.5 41.7 26 27 A K H < S+ 0 0 144 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.910 117.9 42.9 -65.9 -44.6 2.1 23.1 42.6 27 28 A V H < S- 0 0 33 -4,-2.7 -1,-0.2 -5,-0.2 -2,-0.2 0.857 99.4-151.7 -71.9 -36.3 3.7 23.0 39.2 28 29 A G < - 0 0 19 -4,-2.2 -1,-0.2 -5,-0.3 -2,-0.1 -0.467 45.6 -3.5 94.3-169.8 3.4 26.8 38.5 29 30 A P S S- 0 0 98 0, 0.0 2,-0.3 0, 0.0 -22,-0.1 -0.204 79.7-102.5 -58.2 145.2 3.1 28.6 35.2 30 31 A C - 0 0 10 -24,-0.1 -24,-0.1 1,-0.1 -20,-0.1 -0.561 34.9-176.6 -71.4 126.9 3.2 26.6 32.0 31 32 A T + 0 0 99 -2,-0.3 -1,-0.1 -3,-0.1 2,-0.0 0.153 27.1 144.7-111.8 17.4 6.6 26.9 30.4 32 33 A L - 0 0 12 1,-0.1 -2,-0.0 164,-0.0 164,-0.0 -0.337 31.6-162.6 -57.1 131.1 6.0 24.9 27.2 33 34 A T - 0 0 79 -2,-0.0 -1,-0.1 2,-0.0 2,-0.1 -0.857 4.2-168.0-125.8 98.6 7.8 26.4 24.3 34 35 A P - 0 0 21 0, 0.0 116,-0.2 0, 0.0 115,-0.1 -0.365 14.2-144.0 -78.1 162.9 6.7 25.4 20.8 35 36 A H > + 0 0 76 114,-2.0 3,-1.8 1,-0.1 116,-0.1 -0.566 30.1 161.0-129.3 70.3 8.8 26.2 17.7 36 37 A P T 3 + 0 0 62 0, 0.0 -1,-0.1 0, 0.0 114,-0.1 0.639 68.7 75.7 -64.7 -13.5 6.4 27.0 14.8 37 38 A E T 3 S+ 0 0 116 -3,-0.1 2,-0.2 113,-0.1 114,-0.1 0.725 76.1 99.2 -70.4 -19.5 9.3 28.8 13.0 38 39 A H S < S- 0 0 30 -3,-1.8 -3,-0.0 112,-0.2 112,-0.0 -0.452 82.4-115.7 -70.0 137.6 10.6 25.3 12.1 39 40 A A >> - 0 0 35 -2,-0.2 4,-2.4 1,-0.1 3,-0.6 -0.323 30.5-105.6 -68.2 155.7 9.8 24.0 8.7 40 41 A P H 3> S+ 0 0 16 0, 0.0 4,-2.9 0, 0.0 5,-0.3 0.900 119.5 54.3 -50.4 -46.0 7.6 20.9 8.5 41 42 A Y H 3> S+ 0 0 30 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.878 110.9 47.0 -60.0 -35.7 10.5 18.6 7.6 42 43 A E H <> S+ 0 0 22 -3,-0.6 4,-2.7 2,-0.2 -1,-0.2 0.939 113.1 46.7 -70.5 -47.9 12.4 19.8 10.6 43 44 A G H X S+ 0 0 1 -4,-2.4 4,-2.1 1,-0.2 -2,-0.2 0.903 114.0 49.2 -60.3 -40.6 9.5 19.4 13.0 44 45 A I H X S+ 0 0 2 -4,-2.9 4,-2.7 -5,-0.3 -1,-0.2 0.926 111.5 47.8 -66.2 -44.1 8.7 16.0 11.7 45 46 A I H X S+ 0 0 0 -4,-2.2 4,-2.6 -5,-0.3 -2,-0.2 0.914 111.3 51.3 -64.1 -40.5 12.3 14.8 11.9 46 47 A R H X S+ 0 0 81 -4,-2.7 4,-1.6 1,-0.2 -1,-0.2 0.908 111.8 47.6 -62.2 -39.5 12.6 16.1 15.5 47 48 A A H < S+ 0 0 5 -4,-2.1 4,-0.5 -5,-0.2 -2,-0.2 0.911 111.3 49.8 -67.4 -43.1 9.4 14.2 16.4 48 49 A I H >< S+ 0 0 0 -4,-2.7 3,-1.6 1,-0.2 -2,-0.2 0.930 108.2 53.9 -60.6 -44.9 10.6 11.0 14.7 49 50 A T H 3< S+ 0 0 0 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.894 103.5 57.0 -57.5 -40.0 13.9 11.2 16.6 50 51 A S T >< S+ 0 0 20 -4,-1.6 3,-1.7 -5,-0.2 -1,-0.3 0.573 75.8 126.6 -69.5 -10.7 12.0 11.5 19.9 51 52 A Q T < S- 0 0 46 -3,-1.6 3,-0.1 -4,-0.5 -3,-0.0 -0.316 90.9 -12.0 -54.6 122.6 10.1 8.2 19.4 52 53 A K T 3 S+ 0 0 191 1,-0.2 2,-0.3 -2,-0.1 -1,-0.3 0.359 117.0 108.3 67.9 -2.5 10.7 6.0 22.4 53 54 A L < - 0 0 60 -3,-1.7 -1,-0.2 -4,-0.1 2,-0.0 -0.778 69.6-116.8-110.6 151.9 13.4 8.3 23.7 54 55 A S > - 0 0 75 -2,-0.3 4,-2.6 1,-0.1 5,-0.2 -0.269 36.3-105.3 -73.2 165.6 13.6 10.7 26.6 55 56 A D H > S+ 0 0 126 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.915 120.8 51.1 -59.3 -44.0 14.1 14.4 26.0 56 57 A A H > S+ 0 0 73 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.917 112.1 45.0 -61.2 -45.7 17.8 14.2 27.1 57 58 A A H > S+ 0 0 32 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.921 113.7 50.7 -65.2 -43.2 18.6 11.3 24.8 58 59 A T H X S+ 0 0 12 -4,-2.6 4,-2.5 1,-0.2 5,-0.2 0.931 110.0 49.8 -59.5 -47.0 16.7 12.9 21.9 59 60 A N H X S+ 0 0 81 -4,-2.8 4,-2.6 1,-0.2 -1,-0.2 0.890 106.5 55.1 -60.8 -41.5 18.7 16.1 22.4 60 61 A S H X S+ 0 0 53 -4,-2.1 4,-1.5 1,-0.2 -1,-0.2 0.883 111.1 45.8 -60.2 -38.4 22.0 14.4 22.5 61 62 A I H X S+ 0 0 12 -4,-1.7 4,-2.3 2,-0.2 -2,-0.2 0.931 112.4 48.5 -70.9 -46.9 21.3 12.8 19.1 62 63 A I H X S+ 0 0 6 -4,-2.5 4,-2.5 1,-0.2 5,-0.2 0.883 108.4 56.6 -61.4 -36.4 20.0 15.9 17.4 63 64 A N H X S+ 0 0 103 -4,-2.6 4,-1.8 1,-0.2 -1,-0.2 0.915 110.2 43.1 -61.4 -43.6 23.1 17.8 18.7 64 65 A K H X S+ 0 0 100 -4,-1.5 4,-2.3 28,-0.2 -1,-0.2 0.866 111.3 56.6 -68.4 -36.2 25.4 15.3 17.0 65 66 A F H X S+ 0 0 0 -4,-2.3 4,-2.6 1,-0.2 5,-0.4 0.921 108.5 46.1 -60.3 -46.4 23.2 15.4 13.9 66 67 A C H X S+ 0 0 16 -4,-2.5 4,-1.7 1,-0.2 8,-0.3 0.897 113.4 48.7 -65.8 -40.9 23.6 19.2 13.6 67 68 A T H < S+ 0 0 110 -4,-1.8 -1,-0.2 -5,-0.2 -2,-0.2 0.870 117.6 41.8 -67.3 -36.7 27.4 19.0 14.1 68 69 A Q H < S+ 0 0 110 -4,-2.3 -2,-0.2 -5,-0.1 -3,-0.2 0.928 125.7 28.2 -76.9 -48.8 27.8 16.3 11.5 69 70 A C H < S+ 0 0 12 -4,-2.6 8,-0.2 -5,-0.2 2,-0.2 0.673 110.3 70.1 -91.1 -20.1 25.4 17.4 8.7 70 71 A S < - 0 0 15 -4,-1.7 3,-0.2 -5,-0.4 5,-0.1 -0.609 59.8-153.2 -99.3 161.7 25.5 21.2 9.2 71 72 A D S S+ 0 0 150 -2,-0.2 -1,-0.1 1,-0.1 -4,-0.0 0.676 98.0 37.9-101.5 -25.4 28.3 23.6 8.5 72 73 A N S S- 0 0 71 -6,-0.1 -1,-0.1 2,-0.1 3,-0.1 -0.239 116.0-101.8-120.9 43.4 27.1 26.3 11.0 73 74 A D S S+ 0 0 133 -7,-0.3 2,-0.2 -3,-0.2 -6,-0.2 0.751 85.3 124.8 42.1 34.2 25.9 24.0 13.8 74 75 A E S S- 0 0 118 -8,-0.3 -1,-0.1 1,-0.1 -4,-0.1 -0.558 75.6 -65.5-110.0 177.3 22.3 24.6 12.7 75 76 A F - 0 0 24 -2,-0.2 -1,-0.1 1,-0.1 -9,-0.1 -0.483 65.3-103.7 -67.3 130.0 19.6 22.2 11.8 76 77 A P - 0 0 0 0, 0.0 -6,-0.1 0, 0.0 -1,-0.1 -0.166 30.9-124.4 -54.4 140.1 20.6 20.3 8.6 77 78 A T > - 0 0 58 -8,-0.2 4,-2.3 1,-0.1 5,-0.2 -0.399 29.3-104.5 -80.3 162.5 18.9 21.3 5.3 78 79 A P H > S+ 0 0 24 0, 0.0 4,-2.1 0, 0.0 5,-0.2 0.913 124.0 51.0 -54.9 -39.7 17.1 18.7 3.2 79 80 A K H > S+ 0 0 133 1,-0.2 4,-1.7 2,-0.2 5,-0.1 0.928 108.3 49.8 -63.0 -46.9 20.1 18.7 0.8 80 81 A Q H 4 S+ 0 0 43 1,-0.2 -1,-0.2 2,-0.2 4,-0.2 0.861 110.1 52.4 -61.4 -35.3 22.6 18.3 3.6 81 82 A I H >< S+ 0 0 0 -4,-2.3 3,-1.3 1,-0.2 -1,-0.2 0.915 109.0 48.3 -67.8 -42.1 20.6 15.3 4.9 82 83 A M H 3< S+ 0 0 58 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.789 105.4 59.7 -68.5 -26.7 20.5 13.6 1.5 83 84 A E T 3< S+ 0 0 131 -4,-1.7 2,-0.5 -5,-0.2 -1,-0.3 0.474 93.8 80.3 -79.6 -2.0 24.3 14.1 1.1 84 85 A T S < S- 0 0 16 -3,-1.3 -15,-0.0 -4,-0.2 5,-0.0 -0.923 83.0-128.4-108.6 124.6 24.8 12.1 4.3 85 86 A D > - 0 0 88 -2,-0.5 4,-1.8 1,-0.1 3,-0.5 -0.301 23.2-112.6 -69.5 156.5 24.7 8.3 4.0 86 87 A V H > S+ 0 0 56 1,-0.2 4,-2.4 2,-0.2 5,-0.1 0.789 115.6 58.9 -59.7 -29.6 22.5 6.3 6.4 87 88 A E H > S+ 0 0 95 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.904 105.7 48.7 -67.4 -39.0 25.5 4.8 8.1 88 89 A T H 4 S+ 0 0 26 -3,-0.5 4,-0.5 2,-0.2 -2,-0.2 0.894 110.8 50.6 -66.6 -39.4 26.8 8.2 9.1 89 90 A L H ><>S+ 0 0 0 -4,-1.8 3,-1.8 1,-0.2 5,-1.1 0.932 107.1 54.3 -63.3 -43.2 23.3 9.2 10.4 90 91 A H H ><5S+ 0 0 64 -4,-2.4 3,-1.5 1,-0.3 -1,-0.2 0.851 100.3 61.6 -57.9 -34.6 23.2 6.0 12.4 91 92 A E T 3<5S+ 0 0 131 -4,-1.5 -1,-0.3 1,-0.3 -2,-0.2 0.666 94.3 63.1 -67.2 -16.1 26.6 7.1 14.0 92 93 A C T < 5S- 0 0 6 -3,-1.8 -1,-0.3 -4,-0.5 -28,-0.2 0.645 129.6 -92.6 -81.1 -16.5 24.8 10.1 15.4 93 94 A G T < 5S+ 0 0 36 -3,-1.5 -3,-0.2 -4,-0.5 2,-0.2 0.319 82.8 134.0 121.8 -7.5 22.6 7.9 17.5 94 95 A F < - 0 0 1 -5,-1.1 -1,-0.4 -33,-0.1 -2,-0.1 -0.500 62.6-110.6 -71.8 143.7 19.6 7.4 15.2 95 96 A S > - 0 0 54 -2,-0.2 4,-2.3 1,-0.1 5,-0.2 -0.286 32.0-107.3 -65.7 163.2 18.4 3.8 14.9 96 97 A K H > S+ 0 0 149 1,-0.2 4,-1.7 2,-0.2 5,-0.1 0.909 122.1 50.5 -60.3 -39.2 19.1 2.3 11.5 97 98 A L H > S+ 0 0 110 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.919 110.2 48.0 -65.1 -44.1 15.3 2.5 10.8 98 99 A K H > S+ 0 0 22 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.868 106.4 58.7 -64.8 -35.2 15.1 6.1 11.8 99 100 A S H X S+ 0 0 1 -4,-2.3 4,-1.5 1,-0.2 -1,-0.2 0.915 109.0 44.6 -59.4 -43.1 18.1 6.9 9.7 100 101 A Q H X S+ 0 0 88 -4,-1.7 4,-2.1 1,-0.2 -2,-0.2 0.911 113.4 50.3 -67.8 -41.6 16.3 5.6 6.6 101 102 A E H X S+ 0 0 14 -4,-2.2 4,-2.2 1,-0.2 -2,-0.2 0.863 108.0 52.3 -66.3 -35.7 13.1 7.4 7.6 102 103 A I H X S+ 0 0 0 -4,-2.7 4,-2.4 2,-0.2 -1,-0.2 0.872 108.2 52.0 -68.3 -35.4 14.9 10.7 8.0 103 104 A H H X S+ 0 0 25 -4,-1.5 4,-2.5 -5,-0.2 -2,-0.2 0.926 109.7 49.7 -64.1 -43.9 16.4 10.3 4.6 104 105 A I H X S+ 0 0 56 -4,-2.1 4,-2.4 1,-0.2 -2,-0.2 0.889 110.1 50.1 -62.8 -39.8 12.9 9.7 3.1 105 106 A V H X S+ 0 0 0 -4,-2.2 4,-2.2 2,-0.2 -1,-0.2 0.923 110.8 49.1 -65.4 -43.5 11.6 12.8 4.9 106 107 A A H X S+ 0 0 0 -4,-2.4 4,-2.3 1,-0.2 -2,-0.2 0.924 112.6 48.0 -61.1 -44.0 14.4 15.0 3.5 107 108 A E H X S+ 0 0 68 -4,-2.5 4,-2.0 1,-0.2 -1,-0.2 0.891 109.1 53.4 -64.4 -39.3 13.8 13.6 0.0 108 109 A A H <>S+ 0 0 17 -4,-2.4 5,-3.3 1,-0.2 6,-0.7 0.893 108.9 49.9 -62.6 -39.0 10.1 14.3 0.3 109 110 A A H ><5S+ 0 0 27 -4,-2.2 3,-1.5 1,-0.2 -2,-0.2 0.935 110.2 49.4 -65.3 -45.5 10.8 17.9 1.3 110 111 A L H 3<5S+ 0 0 84 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.837 114.2 46.3 -62.3 -33.0 13.1 18.3 -1.7 111 112 A N T 3<5S- 0 0 90 -4,-2.0 -1,-0.3 -5,-0.2 -2,-0.2 0.265 113.0-118.3 -94.0 11.4 10.4 16.8 -4.0 112 113 A K T < 5S+ 0 0 183 -3,-1.5 -3,-0.2 -5,-0.1 -2,-0.1 0.852 74.3 131.5 54.8 40.3 7.6 19.0 -2.5 113 114 A Q < + 0 0 146 -5,-3.3 -4,-0.2 -6,-0.1 -1,-0.1 0.577 50.1 79.7 -95.2 -13.8 5.8 15.9 -1.3 114 115 A I S S- 0 0 22 -6,-0.7 3,-0.1 -9,-0.1 -73,-0.1 -0.770 95.2-103.2 -93.6 138.5 5.2 17.2 2.2 115 116 A P - 0 0 22 0, 0.0 -2,-0.1 0, 0.0 -1,-0.1 -0.278 42.6-106.4 -58.8 148.1 2.4 19.7 2.7 116 117 A S > - 0 0 58 1,-0.1 4,-2.5 -4,-0.1 5,-0.2 -0.280 25.9-110.7 -70.6 162.0 3.6 23.3 3.0 117 118 A K H > S+ 0 0 64 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.894 120.3 58.0 -60.9 -36.5 3.5 25.0 6.4 118 119 A S H > S+ 0 0 61 1,-0.2 4,-0.6 2,-0.2 -1,-0.2 0.908 108.9 42.9 -59.1 -45.4 0.7 27.1 5.0 119 120 A E H >> S+ 0 0 110 1,-0.2 3,-1.3 2,-0.2 4,-0.6 0.928 111.4 54.7 -67.3 -45.7 -1.4 24.1 4.2 120 121 A I H >< S+ 0 0 0 -4,-2.5 3,-1.3 1,-0.3 -2,-0.2 0.875 101.9 58.3 -55.8 -39.4 -0.7 22.4 7.5 121 122 A E H 3< S+ 0 0 123 -4,-2.3 -1,-0.3 1,-0.3 -2,-0.2 0.736 106.6 48.9 -64.9 -21.8 -1.8 25.5 9.4 122 123 A K H << S+ 0 0 170 -3,-1.3 2,-0.3 -4,-0.6 -1,-0.3 0.508 95.3 95.5 -94.3 -5.8 -5.3 25.2 7.7 123 124 A M S << S- 0 0 32 -3,-1.3 2,-0.0 -4,-0.6 -3,-0.0 -0.676 71.6-128.9 -92.9 139.3 -5.6 21.5 8.5 124 125 A S > - 0 0 45 -2,-0.3 4,-2.4 1,-0.1 5,-0.2 -0.298 33.9-103.8 -73.4 166.0 -7.5 20.1 11.5 125 126 A E H > S+ 0 0 26 1,-0.2 4,-2.2 2,-0.2 5,-0.1 0.900 125.1 52.9 -59.8 -38.4 -5.7 17.5 13.7 126 127 A E H > S+ 0 0 129 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.897 109.1 48.4 -62.9 -40.8 -7.8 14.8 12.0 127 128 A E H > S+ 0 0 95 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.862 110.0 51.9 -68.6 -34.5 -6.7 16.0 8.6 128 129 A L H X S+ 0 0 0 -4,-2.4 4,-2.6 2,-0.2 5,-0.5 0.886 106.6 54.6 -67.7 -37.3 -3.1 16.1 9.7 129 130 A M H X S+ 0 0 43 -4,-2.2 4,-1.2 1,-0.2 -2,-0.2 0.938 111.3 44.4 -60.2 -46.1 -3.5 12.5 10.9 130 131 A E H < S+ 0 0 127 -4,-1.9 -2,-0.2 2,-0.1 -1,-0.2 0.885 121.0 39.6 -65.2 -41.0 -4.7 11.4 7.4 131 132 A S H >< S+ 0 0 27 -4,-2.2 3,-1.2 1,-0.1 -2,-0.2 0.958 118.4 39.6 -76.7 -55.7 -2.1 13.4 5.5 132 133 A L H >< S+ 0 0 1 -4,-2.6 3,-1.9 1,-0.3 6,-0.2 0.710 99.9 73.7 -72.2 -20.4 1.2 12.9 7.5 133 134 A S T 3< S+ 0 0 40 -4,-1.2 -1,-0.3 -5,-0.5 4,-0.1 0.602 81.8 74.3 -68.5 -8.7 0.5 9.3 8.3 134 135 A K T < S+ 0 0 171 -3,-1.2 2,-0.5 -4,-0.1 -1,-0.3 0.566 78.9 91.3 -79.3 -8.0 1.4 8.6 4.7 135 136 A I S X S- 0 0 21 -3,-1.9 3,-2.3 3,-0.3 2,-0.1 -0.758 90.7-110.8 -90.6 128.7 5.0 9.2 5.6 136 137 A K T 3 S+ 0 0 118 -2,-0.5 -31,-0.1 1,-0.3 -2,-0.1 -0.379 104.4 18.6 -59.8 127.4 7.0 6.2 6.6 137 138 A G T 3 S+ 0 0 16 1,-0.1 2,-0.6 -4,-0.1 -1,-0.3 0.310 103.1 103.9 94.5 -6.3 7.8 6.4 10.3 138 139 A V < + 0 0 2 -3,-2.3 -3,-0.3 -6,-0.2 2,-0.2 -0.922 40.0 136.7-115.6 111.7 5.1 9.0 11.0 139 140 A K > - 0 0 107 -2,-0.6 4,-2.4 -3,-0.1 5,-0.3 -0.574 65.9 -50.7-133.8-161.7 1.9 7.9 12.7 140 141 A R H > S+ 0 0 114 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.857 128.9 43.2 -44.5 -57.0 -0.4 9.0 15.5 141 142 A W H > S+ 0 0 61 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.929 115.1 49.6 -59.9 -46.3 2.0 9.7 18.3 142 143 A T H > S+ 0 0 7 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.882 110.9 49.6 -61.0 -39.7 4.5 11.4 16.1 143 144 A I H X S+ 0 0 2 -4,-2.4 4,-2.3 2,-0.2 -1,-0.2 0.876 109.5 52.0 -69.4 -36.2 1.9 13.7 14.6 144 145 A E H X S+ 0 0 9 -4,-2.2 4,-1.9 -5,-0.3 -2,-0.2 0.933 111.3 47.1 -64.6 -44.2 0.6 14.6 18.0 145 146 A M H X S+ 0 0 10 -4,-2.5 4,-2.7 2,-0.2 5,-0.5 0.897 111.4 50.2 -65.4 -39.1 4.1 15.6 19.1 146 147 A Y H X>S+ 0 0 3 -4,-2.3 5,-2.3 1,-0.2 4,-1.8 0.916 110.7 51.5 -62.6 -41.7 4.7 17.6 15.9 147 148 A S H <5S+ 0 0 0 -4,-2.3 6,-2.5 3,-0.2 5,-0.4 0.849 118.5 36.2 -63.5 -36.9 1.4 19.4 16.6 148 149 A I H <5S+ 0 0 2 -4,-1.9 4,-0.4 4,-0.2 -2,-0.2 0.956 125.7 33.2 -81.4 -57.2 2.3 20.3 20.2 149 150 A F H <5S+ 0 0 82 -4,-2.7 -114,-2.0 -5,-0.2 -3,-0.2 0.694 133.8 21.8 -79.3 -22.7 6.0 21.0 20.0 150 151 A T T <5S+ 0 0 7 -4,-1.8 -3,-0.2 -5,-0.5 -112,-0.2 0.787 129.0 37.9-106.5 -60.1 6.3 22.5 16.5 151 152 A L S + 0 0 0 0, 0.0 3,-2.0 0, 0.0 6,-0.2 -0.469 24.9 167.9 -80.4 70.4 -1.8 12.6 23.3 159 160 A A T 3 + 0 0 0 -2,-2.4 24,-0.2 1,-0.3 25,-0.1 0.674 68.8 59.9 -58.9 -21.9 -4.0 10.0 25.0 160 161 A D T 3 S+ 0 0 40 -3,-0.2 2,-0.3 23,-0.1 -1,-0.3 0.515 75.5 118.4 -85.9 -7.5 -1.8 7.2 23.6 161 162 A D <> - 0 0 12 -3,-2.0 4,-2.5 1,-0.1 5,-0.2 -0.454 58.4-148.1 -66.9 122.1 1.4 8.4 25.3 162 163 A S H > S+ 0 0 63 -2,-0.3 4,-2.1 1,-0.2 5,-0.2 0.917 97.2 48.6 -55.1 -49.1 2.7 5.8 27.7 163 164 A T H > S+ 0 0 73 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.934 111.9 48.5 -59.7 -47.5 4.1 8.4 30.1 164 165 A L H > S+ 0 0 0 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.892 109.0 54.1 -61.7 -38.8 0.9 10.4 30.2 165 166 A K H X S+ 0 0 31 -4,-2.5 4,-2.1 2,-0.2 -1,-0.2 0.912 108.5 49.3 -61.5 -41.5 -1.1 7.2 30.8 166 167 A N H X S+ 0 0 82 -4,-2.1 4,-1.4 1,-0.2 -1,-0.2 0.907 113.8 45.9 -63.1 -41.8 1.1 6.4 33.8 167 168 A E H X S+ 0 0 9 -4,-2.2 4,-2.8 1,-0.2 -2,-0.2 0.842 110.0 53.7 -71.4 -33.2 0.6 9.9 35.1 168 169 A A H X S+ 0 0 0 -4,-2.6 4,-2.9 2,-0.2 6,-0.3 0.879 103.7 57.2 -68.2 -37.3 -3.1 9.9 34.5 169 170 A K H <>S+ 0 0 78 -4,-2.1 5,-2.3 -5,-0.2 4,-0.4 0.934 114.1 38.4 -58.2 -45.4 -3.4 6.6 36.5 170 171 A E H ><5S+ 0 0 139 -4,-1.4 3,-0.5 3,-0.2 -2,-0.2 0.929 117.8 48.6 -70.7 -47.0 -1.8 8.4 39.5 171 172 A F H 3<5S+ 0 0 30 -4,-2.8 -2,-0.2 1,-0.2 -3,-0.2 0.898 119.4 36.8 -61.5 -45.2 -3.6 11.7 39.0 172 173 A F T 3<5S- 0 0 38 -4,-2.9 -1,-0.2 -5,-0.2 -2,-0.2 0.419 108.5-121.3 -89.9 1.0 -7.1 10.2 38.6 173 174 A G T < 5 + 0 0 66 -3,-0.5 -3,-0.2 -4,-0.4 2,-0.2 0.896 48.4 173.5 61.3 43.6 -6.5 7.5 41.1 174 175 A L < - 0 0 39 -5,-2.3 -1,-0.2 -6,-0.3 3,-0.1 -0.494 38.5-135.1 -83.9 152.9 -7.2 4.6 38.7 175 176 A S S S+ 0 0 120 -2,-0.2 2,-0.3 1,-0.1 -1,-0.1 0.652 88.1 21.9 -80.4 -16.0 -6.7 1.0 39.6 176 177 A S S S- 0 0 72 -7,-0.1 -1,-0.1 0, 0.0 -2,-0.0 -0.987 98.4 -80.7-149.6 155.9 -4.9 0.2 36.4 177 178 A K - 0 0 87 -2,-0.3 -11,-0.1 1,-0.1 -12,-0.1 -0.379 62.2-116.9 -56.3 122.9 -3.0 2.1 33.6 178 179 A P - 0 0 8 0, 0.0 2,-0.1 0, 0.0 -1,-0.1 -0.243 16.3-119.0 -69.5 151.9 -5.7 3.5 31.4 179 180 A Q > - 0 0 145 1,-0.1 4,-1.8 -14,-0.0 3,-0.4 -0.392 38.4 -98.6 -78.5 164.2 -6.5 2.6 27.8 180 181 A T H > S+ 0 0 38 1,-0.2 4,-2.0 2,-0.2 3,-0.2 0.902 122.4 48.3 -53.5 -49.5 -6.3 5.5 25.3 181 182 A E H > S+ 0 0 104 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.834 106.9 58.3 -65.0 -29.4 -10.0 6.2 25.1 182 183 A E H > S+ 0 0 73 -3,-0.4 4,-2.7 2,-0.2 -1,-0.2 0.916 106.5 47.5 -65.7 -40.6 -10.2 6.3 28.9 183 184 A V H X S+ 0 0 0 -4,-1.8 4,-1.8 2,-0.2 -1,-0.2 0.905 110.3 53.9 -64.8 -39.0 -7.6 9.1 28.9 184 185 A E H < S+ 0 0 41 -4,-2.0 4,-0.4 -5,-0.2 -2,-0.2 0.927 112.2 43.8 -59.3 -46.7 -9.6 10.8 26.2 185 186 A K H >< S+ 0 0 120 -4,-2.5 3,-1.1 1,-0.2 -2,-0.2 0.932 112.1 51.4 -65.6 -46.7 -12.8 10.6 28.4 186 187 A L H 3< S+ 0 0 46 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.789 113.3 44.7 -62.7 -30.0 -11.1 11.7 31.6 187 188 A T T >< S+ 0 0 0 -4,-1.8 3,-1.8 -5,-0.2 4,-0.3 0.375 79.3 103.5 -98.7 5.1 -9.5 14.8 30.1 188 189 A K G X S+ 0 0 93 -3,-1.1 3,-2.0 -4,-0.4 -1,-0.2 0.871 74.2 62.1 -53.5 -40.9 -12.5 16.0 28.1 189 190 A P G 3 S+ 0 0 71 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.723 91.8 69.6 -59.7 -18.7 -13.2 18.8 30.8 190 191 A C G X S+ 0 0 0 -3,-1.8 3,-2.3 2,-0.1 -2,-0.2 0.638 82.0 148.8 -75.0 -16.1 -9.8 20.2 29.9 191 192 A K T < + 0 0 101 -3,-2.0 -36,-0.1 1,-0.3 -3,-0.0 -0.300 53.7 28.9 -57.8 147.5 -10.9 21.4 26.5 192 193 A P T 3 S+ 0 0 73 0, 0.0 -1,-0.3 0, 0.0 3,-0.2 -0.845 128.6 44.0 -92.8 29.4 -10.1 23.7 24.8 193 194 A Y X> + 0 0 39 -3,-2.3 4,-1.8 1,-0.1 3,-0.6 -0.143 62.3 136.3-124.5 40.7 -6.6 23.5 26.4 194 195 A R H 3> + 0 0 28 1,-0.2 4,-2.6 2,-0.2 -39,-0.3 0.750 69.1 62.4 -61.8 -24.7 -5.8 19.8 26.5 195 196 A T H 3> S+ 0 0 2 -41,-2.3 4,-2.3 2,-0.2 -1,-0.2 0.937 107.4 44.8 -63.6 -43.2 -2.2 20.4 25.3 196 197 A I H <> S+ 0 0 0 -42,-0.8 4,-2.4 -3,-0.6 -2,-0.2 0.879 111.1 53.1 -68.1 -37.2 -1.6 22.4 28.5 197 198 A A H X S+ 0 0 0 -4,-1.8 4,-2.2 2,-0.2 -1,-0.2 0.929 109.5 49.4 -62.2 -44.6 -3.4 19.7 30.6 198 199 A A H X S+ 0 0 0 -4,-2.6 4,-2.4 -42,-0.3 -2,-0.2 0.918 108.7 53.3 -60.0 -43.9 -1.1 17.1 29.0 199 200 A W H X S+ 0 0 21 -4,-2.3 4,-0.6 1,-0.2 -1,-0.2 0.914 107.9 50.2 -58.9 -43.9 1.9 19.3 29.9 200 201 A Y H >< S+ 0 0 0 -4,-2.4 3,-1.2 1,-0.2 4,-0.4 0.915 109.9 49.8 -62.8 -41.0 0.9 19.6 33.5 201 202 A L H >< S+ 0 0 0 -4,-2.2 3,-1.6 1,-0.3 -1,-0.2 0.908 105.4 58.3 -63.4 -38.7 0.5 15.8 33.8 202 203 A W H 3< S+ 0 0 47 -4,-2.4 -1,-0.3 1,-0.3 4,-0.2 0.647 100.5 58.9 -64.9 -13.7 3.9 15.4 32.3 203 204 A Q T XX S+ 0 0 42 -3,-1.2 4,-1.0 -4,-0.6 3,-0.7 0.568 77.5 92.0 -91.8 -9.2 5.3 17.5 35.1 204 205 A I G X4 S+ 0 0 17 -3,-1.6 3,-0.9 -4,-0.4 -1,-0.2 0.879 80.8 56.1 -53.5 -43.1 4.1 15.2 37.9 205 206 A P G 34 S+ 0 0 91 0, 0.0 -1,-0.2 0, 0.0 -2,-0.1 0.866 101.8 58.1 -58.6 -35.1 7.4 13.1 38.0 206 207 A K G <4 0 0 184 -3,-0.7 -2,-0.2 1,-0.3 -3,-0.1 0.804 360.0 360.0 -64.2 -29.5 9.3 16.4 38.6 207 208 A L << 0 0 118 -4,-1.0 -1,-0.3 -3,-0.9 -3,-0.1 0.534 360.0 360.0 -74.6 360.0 7.2 17.0 41.8