==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=23-NOV-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER DNA BINDING PROTEIN 20-SEP-12 4H79 . COMPND 2 MOLECULE: CRISPR-ASSOCIATED PROTEIN, CSE2 FAMILY; . SOURCE 2 ORGANISM_SCIENTIFIC: THERMOBIFIDA FUSCA; . AUTHOR A.KE,K.H.NAM . 177 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9903.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 132 74.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 2 1.1 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 . 6 3.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 21 11.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 100 56.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 1.1 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 1 1 0 0 0 2 0 0 1 0 0 1 1 1 0 1 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 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 11 A S 0 0 158 0, 0.0 2,-0.3 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 135.3 -26.1 47.9 12.4 2 12 A L - 0 0 35 1,-0.1 149,-0.1 4,-0.1 2,-0.1 -0.761 360.0-135.3-100.6 143.5 -25.2 45.4 9.8 3 13 A T > - 0 0 69 -2,-0.3 4,-2.9 147,-0.2 5,-0.2 -0.219 49.6 -80.2 -77.0-174.9 -21.9 45.1 7.9 4 14 A W H > S+ 0 0 40 1,-0.2 4,-1.8 2,-0.2 5,-0.2 0.850 130.8 53.3 -61.3 -34.8 -21.9 44.5 4.1 5 15 A V H > S+ 0 0 0 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.973 114.9 37.7 -65.4 -54.8 -22.6 40.7 4.5 6 16 A G H > S+ 0 0 0 2,-0.2 4,-2.8 1,-0.2 5,-0.2 0.843 112.8 58.9 -67.1 -33.1 -25.7 41.1 6.8 7 17 A T H X S+ 0 0 74 -4,-2.9 4,-1.8 1,-0.2 -1,-0.2 0.926 109.8 43.2 -64.0 -43.4 -27.0 44.1 4.9 8 18 A F H X S+ 0 0 11 -4,-1.8 4,-3.0 -5,-0.2 -1,-0.2 0.924 114.5 49.1 -61.5 -48.9 -27.1 42.1 1.7 9 19 A V H X S+ 0 0 0 -4,-2.1 4,-2.8 1,-0.2 5,-0.3 0.903 109.6 52.0 -65.0 -40.5 -28.6 39.1 3.4 10 20 A D H X S+ 0 0 17 -4,-2.8 4,-2.1 2,-0.2 -1,-0.2 0.917 113.9 43.7 -56.4 -48.3 -31.3 41.2 5.1 11 21 A Q H X S+ 0 0 84 -4,-1.8 4,-1.9 -5,-0.2 -2,-0.2 0.925 116.3 47.1 -66.2 -43.5 -32.3 42.8 1.7 12 22 A R H X S+ 0 0 30 -4,-3.0 4,-2.3 2,-0.2 5,-0.2 0.924 113.7 46.0 -67.3 -45.1 -32.2 39.4 -0.2 13 23 A V H X S+ 0 0 0 -4,-2.8 4,-3.3 1,-0.2 5,-0.2 0.906 110.5 55.1 -65.4 -38.6 -34.3 37.5 2.5 14 24 A R H X S+ 0 0 118 -4,-2.1 4,-2.5 -5,-0.3 -1,-0.2 0.900 109.0 48.7 -59.5 -41.8 -36.8 40.4 2.7 15 25 A E H X S+ 0 0 67 -4,-1.9 4,-2.1 2,-0.2 -2,-0.2 0.938 115.9 41.1 -61.0 -51.4 -37.3 40.1 -1.1 16 26 A I H X S+ 0 0 6 -4,-2.3 4,-2.7 1,-0.2 -2,-0.2 0.905 114.5 53.6 -65.4 -40.4 -37.8 36.3 -1.0 17 27 A Q H X S+ 0 0 11 -4,-3.3 4,-2.3 2,-0.2 -2,-0.2 0.912 109.8 46.1 -62.0 -44.3 -39.9 36.6 2.1 18 28 A E H X S+ 0 0 71 -4,-2.5 4,-2.1 -5,-0.2 -1,-0.2 0.921 112.6 51.6 -66.2 -40.5 -42.3 39.2 0.6 19 29 A G H <>S+ 0 0 13 -4,-2.1 5,-3.0 2,-0.2 -2,-0.2 0.927 110.4 49.0 -60.6 -41.0 -42.5 37.0 -2.6 20 30 A Y H ><5S+ 0 0 14 -4,-2.7 3,-1.2 1,-0.2 -1,-0.2 0.893 107.9 54.3 -66.7 -39.7 -43.4 33.9 -0.4 21 31 A R H 3<5S+ 0 0 136 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.881 110.5 46.0 -55.4 -45.1 -46.1 36.0 1.3 22 32 A L T 3<5S- 0 0 111 -4,-2.1 -1,-0.3 -5,-0.1 -2,-0.2 0.376 115.0-119.1 -76.3 0.1 -47.6 36.8 -2.1 23 33 A D T < 5 + 0 0 102 -3,-1.2 -3,-0.2 -4,-0.2 -2,-0.1 0.845 47.6 178.7 59.6 31.9 -47.3 33.1 -3.1 24 34 A N >< - 0 0 74 -5,-3.0 4,-2.7 -6,-0.2 -1,-0.2 -0.487 29.4-137.4 -65.0 129.1 -45.0 34.2 -5.9 25 35 A P H > S+ 0 0 106 0, 0.0 4,-2.4 0, 0.0 5,-0.2 0.863 101.7 53.1 -62.0 -36.3 -43.9 31.0 -7.8 26 36 A R H > S+ 0 0 176 2,-0.2 4,-2.5 1,-0.2 5,-0.1 0.915 111.4 45.7 -64.1 -44.9 -40.2 32.1 -8.2 27 37 A A H > S+ 0 0 10 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.916 113.1 50.6 -62.7 -46.0 -40.0 32.8 -4.3 28 38 A V H X S+ 0 0 53 -4,-2.7 4,-2.3 1,-0.2 -2,-0.2 0.932 114.0 44.0 -58.1 -48.0 -41.7 29.4 -3.6 29 39 A A H X S+ 0 0 46 -4,-2.4 4,-2.8 -5,-0.2 -2,-0.2 0.885 111.8 54.1 -65.1 -41.3 -39.2 27.5 -5.9 30 40 A T H X S+ 0 0 5 -4,-2.5 4,-2.4 2,-0.2 -2,-0.2 0.937 110.5 44.0 -61.3 -47.0 -36.2 29.4 -4.6 31 41 A L H X S+ 0 0 0 -4,-2.4 4,-2.4 1,-0.2 -2,-0.2 0.930 115.0 50.7 -64.8 -41.1 -36.9 28.5 -0.9 32 42 A A H X S+ 0 0 37 -4,-2.3 4,-2.3 -5,-0.2 -2,-0.2 0.908 111.0 48.0 -62.9 -43.8 -37.6 24.9 -1.9 33 43 A R H X S+ 0 0 112 -4,-2.8 4,-2.1 2,-0.2 -1,-0.2 0.900 108.9 54.4 -64.1 -38.3 -34.4 24.6 -3.9 34 44 A L H X S+ 0 0 8 -4,-2.4 4,-0.6 2,-0.2 -2,-0.2 0.929 110.3 46.7 -58.7 -46.5 -32.4 26.1 -1.0 35 45 A R H >< S+ 0 0 55 -4,-2.4 3,-1.0 1,-0.2 -2,-0.2 0.901 111.3 50.0 -59.9 -41.4 -33.9 23.4 1.3 36 46 A R H 3< S+ 0 0 189 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.831 110.0 53.4 -69.5 -30.1 -33.1 20.6 -1.2 37 47 A G H >< S+ 0 0 24 -4,-2.1 3,-0.8 -5,-0.2 -1,-0.2 0.580 80.7 131.2 -74.6 -10.5 -29.5 22.1 -1.4 38 48 A A T << S+ 0 0 32 -3,-1.0 -3,-0.1 -4,-0.6 34,-0.0 -0.150 71.3 13.2 -56.0 131.9 -29.0 22.0 2.4 39 49 A G T 3 0 0 69 1,-0.2 -1,-0.2 88,-0.0 -2,-0.0 0.741 360.0 360.0 80.1 30.7 -25.7 20.3 3.5 40 50 A K < 0 0 194 -3,-0.8 -1,-0.2 0, 0.0 -3,-0.1 -0.740 360.0 360.0-131.5 360.0 -24.0 20.3 0.1 41 ! 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 42 58 A L >> 0 0 143 0, 0.0 3,-1.3 0, 0.0 4,-0.9 0.000 360.0 360.0 360.0 125.2 -27.3 27.7 -7.4 43 59 A W H >> + 0 0 116 1,-0.2 4,-3.2 2,-0.2 3,-0.6 0.832 360.0 67.8 -37.1 -54.2 -25.2 30.7 -6.5 44 60 A G H 34 S+ 0 0 52 1,-0.3 -1,-0.2 2,-0.2 0, 0.0 0.663 98.4 51.6 -56.1 -24.1 -27.3 33.1 -8.6 45 61 A L H <4 S+ 0 0 11 -3,-1.3 -1,-0.3 1,-0.1 -2,-0.2 0.842 120.6 32.1 -77.3 -41.9 -30.4 32.7 -6.4 46 62 A I H << S+ 0 0 3 -4,-0.9 2,-0.5 -3,-0.6 -2,-0.2 0.969 123.8 36.4 -78.2 -55.2 -28.6 33.5 -3.2 47 63 A L < + 0 0 9 -4,-3.2 2,-0.2 -5,-0.1 -1,-0.2 -0.868 60.2 167.2-119.3 120.4 -25.9 36.0 -4.4 48 64 A D >> - 0 0 40 -2,-0.5 3,-2.0 -3,-0.1 4,-0.7 -0.659 56.6 -78.5-121.3-175.0 -26.1 38.7 -7.0 49 65 A D H 3> S+ 0 0 124 1,-0.3 4,-2.4 -2,-0.2 3,-0.1 0.733 121.3 69.9 -62.6 -22.2 -23.9 41.7 -7.9 50 66 A R H 3> S+ 0 0 101 1,-0.2 4,-0.7 2,-0.2 -1,-0.3 0.852 96.4 54.3 -63.5 -32.4 -25.3 43.8 -5.0 51 67 A F H <4 S+ 0 0 2 -3,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.886 116.6 35.4 -64.5 -42.3 -23.4 41.5 -2.6 52 68 A Y H >< S+ 0 0 95 -4,-0.7 3,-0.9 1,-0.2 -2,-0.2 0.757 104.7 71.8 -82.5 -28.3 -20.0 42.0 -4.4 53 69 A A H 3< S+ 0 0 77 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.1 0.755 106.1 33.1 -69.3 -30.4 -20.5 45.7 -5.3 54 70 A D T 3< S+ 0 0 142 -4,-0.7 -1,-0.3 -3,-0.2 -2,-0.1 0.400 85.4 131.6-102.1 2.1 -20.1 47.2 -1.8 55 71 A A < - 0 0 30 -3,-0.9 3,-0.1 -4,-0.2 -3,-0.1 -0.268 51.6-133.6 -65.3 137.2 -17.6 44.6 -0.4 56 72 A P - 0 0 58 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 -0.290 46.2 -62.5 -78.2 171.2 -14.6 46.2 1.4 57 73 A P - 0 0 128 0, 0.0 2,-0.4 0, 0.0 0, 0.0 -0.283 66.7-149.9 -49.8 141.2 -11.0 45.1 0.8 58 74 A L - 0 0 60 -3,-0.1 5,-0.1 2,-0.0 -3,-0.0 -0.963 10.6-120.7-131.2 138.9 -10.7 41.5 1.9 59 75 A K >> - 0 0 158 -2,-0.4 3,-1.1 2,-0.1 4,-0.5 -0.074 55.3 -74.4 -59.4 170.8 -8.1 39.1 3.4 60 76 A E T 34 S+ 0 0 181 1,-0.2 3,-0.3 2,-0.1 4,-0.2 0.824 122.3 9.6 -40.4 -65.9 -7.1 35.8 1.5 61 77 A K T 3> S+ 0 0 144 1,-0.2 4,-1.3 2,-0.1 -1,-0.2 0.248 98.1 105.9-105.3 19.8 -10.0 33.4 2.0 62 78 A D H <> S+ 0 0 23 -3,-1.1 4,-2.6 1,-0.2 5,-0.2 0.822 73.1 56.8 -73.3 -30.7 -12.5 35.9 3.5 63 79 A M H X S+ 0 0 51 -4,-0.5 4,-2.7 -3,-0.3 -1,-0.2 0.920 107.0 50.9 -62.8 -42.4 -14.7 36.3 0.4 64 80 A E H > S+ 0 0 111 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.820 110.8 48.3 -62.6 -37.9 -15.3 32.5 0.4 65 81 A V H X S+ 0 0 28 -4,-1.3 4,-2.9 2,-0.2 -1,-0.2 0.905 111.8 49.3 -70.1 -43.9 -16.3 32.6 4.1 66 82 A A H X S+ 0 0 0 -4,-2.6 4,-2.2 2,-0.2 -2,-0.2 0.905 112.6 47.7 -60.7 -43.5 -18.7 35.5 3.4 67 83 A E H X S+ 0 0 35 -4,-2.7 4,-2.6 2,-0.2 -1,-0.2 0.926 113.7 47.8 -62.7 -45.6 -20.3 33.7 0.5 68 84 A N H X S+ 0 0 57 -4,-2.2 4,-3.0 2,-0.2 -2,-0.2 0.902 109.8 52.7 -61.0 -40.1 -20.6 30.6 2.6 69 85 A S H X S+ 0 0 0 -4,-2.9 4,-2.4 2,-0.2 -2,-0.2 0.911 111.2 46.4 -61.4 -44.9 -22.1 32.6 5.5 70 86 A A H X S+ 0 0 0 -4,-2.2 4,-2.7 2,-0.2 5,-0.2 0.898 112.4 51.7 -62.0 -42.3 -24.7 34.1 3.2 71 87 A H H X S+ 0 0 44 -4,-2.6 4,-2.4 2,-0.2 -2,-0.2 0.931 111.6 45.7 -62.0 -46.3 -25.4 30.6 1.8 72 88 A I H X S+ 0 0 12 -4,-3.0 4,-3.0 1,-0.2 5,-0.2 0.936 113.3 50.1 -61.8 -46.4 -25.9 29.1 5.2 73 89 A A H X S+ 0 0 0 -4,-2.4 4,-2.6 1,-0.2 -2,-0.2 0.913 112.3 46.2 -59.5 -48.0 -28.1 32.0 6.4 74 90 A L H X S+ 0 0 0 -4,-2.7 4,-2.1 2,-0.2 -1,-0.2 0.884 113.3 49.5 -61.8 -39.9 -30.4 31.8 3.3 75 91 A T H X S+ 0 0 13 -4,-2.4 4,-1.9 -5,-0.2 -2,-0.2 0.922 112.0 48.5 -66.2 -45.1 -30.7 28.0 3.6 76 92 A L H X S+ 0 0 5 -4,-3.0 4,-3.0 1,-0.2 -2,-0.2 0.933 110.6 50.8 -59.4 -46.3 -31.6 28.3 7.3 77 93 A Y H X S+ 0 0 0 -4,-2.6 4,-3.2 -5,-0.2 5,-0.2 0.911 107.2 54.2 -57.2 -42.9 -34.2 30.9 6.5 78 94 A A H X S+ 0 0 0 -4,-2.1 4,-1.0 2,-0.2 -1,-0.2 0.876 111.7 44.7 -57.9 -39.8 -35.7 28.6 3.7 79 95 A I H < S+ 0 0 9 -4,-1.9 3,-0.3 2,-0.2 -2,-0.2 0.941 114.8 49.7 -68.4 -43.1 -36.1 25.9 6.3 80 96 A H H < S+ 0 0 0 -4,-3.0 -2,-0.2 1,-0.2 -3,-0.2 0.899 113.5 43.9 -62.6 -43.3 -37.5 28.4 8.9 81 97 A Q H >< S+ 0 0 5 -4,-3.2 3,-2.6 -5,-0.2 -1,-0.2 0.744 80.0 125.8 -77.3 -19.3 -40.1 29.9 6.6 82 98 A Q T 3< S- 0 0 79 -4,-1.0 3,-0.1 -3,-0.3 -3,-0.0 -0.089 89.6 -10.5 -58.8 126.6 -41.5 26.7 5.0 83 99 A S T 3 S+ 0 0 69 1,-0.2 2,-1.0 2,-0.1 -1,-0.3 0.660 95.6 128.7 61.4 16.7 -45.3 26.4 5.4 84 100 A R < + 0 0 49 -3,-2.6 -1,-0.2 1,-0.2 5,-0.2 -0.849 22.5 159.6-100.1 94.8 -45.3 29.4 7.8 85 101 A R + 0 0 132 -2,-1.0 -1,-0.2 1,-0.1 -2,-0.1 0.823 62.9 56.6 -85.6 -33.4 -48.0 31.3 6.0 86 102 A D S S+ 0 0 138 -3,-0.2 2,-0.3 1,-0.0 -1,-0.1 0.810 107.4 29.0 -75.4 -33.6 -49.1 33.5 9.0 87 103 A D S S- 0 0 84 -6,-0.1 2,-0.6 0, 0.0 -3,-0.1 -0.891 74.5-109.0-135.5 154.7 -45.9 35.2 10.0 88 104 A R - 0 0 119 -2,-0.3 -3,-0.1 1,-0.1 -70,-0.0 -0.741 21.4-163.1 -79.9 123.3 -42.5 36.5 8.8 89 105 A M S S+ 0 0 0 -2,-0.6 58,-3.0 -5,-0.2 2,-0.6 0.675 78.6 67.0 -84.5 -14.6 -39.6 34.3 10.1 90 106 A H B +a 147 0A 7 56,-0.2 2,-0.4 58,-0.1 58,-0.2 -0.922 64.4 156.8-103.3 114.4 -37.1 36.9 9.3 91 107 A Q > - 0 0 62 56,-1.4 3,-1.3 -2,-0.6 -77,-0.0 -0.993 41.5-114.8-137.9 130.6 -37.5 40.0 11.6 92 108 A R T 3 S+ 0 0 102 -2,-0.4 3,-0.1 1,-0.2 56,-0.1 -0.285 96.3 30.9 -60.3 144.4 -34.8 42.5 12.4 93 109 A G T 3 S+ 0 0 63 1,-0.2 2,-1.0 55,-0.0 -1,-0.2 0.301 81.0 123.5 93.0 -8.5 -33.7 42.8 16.1 94 110 A W < - 0 0 68 -3,-1.3 54,-2.7 4,-0.1 -1,-0.2 -0.734 46.2-161.8 -87.8 97.9 -34.3 39.1 16.9 95 111 A G > - 0 0 6 -2,-1.0 4,-2.3 52,-0.2 5,-0.2 -0.398 27.0-116.9 -74.0 154.7 -30.9 37.7 18.2 96 112 A L H > S+ 0 0 2 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.879 113.7 51.1 -61.3 -40.6 -30.4 33.9 18.3 97 113 A G H > S+ 0 0 0 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.939 111.8 47.6 -63.5 -45.9 -30.0 33.8 22.1 98 114 A E H > S+ 0 0 74 1,-0.2 4,-1.1 2,-0.2 -1,-0.2 0.899 113.6 48.3 -60.8 -44.2 -33.2 35.8 22.7 99 115 A A H >< S+ 0 0 0 -4,-2.3 3,-0.6 1,-0.2 4,-0.5 0.931 111.6 48.3 -63.3 -47.6 -35.1 33.5 20.2 100 116 A V H >< S+ 0 0 0 -4,-2.7 3,-1.7 1,-0.2 4,-0.2 0.904 104.4 59.9 -62.1 -39.0 -33.9 30.3 21.7 101 117 A R H >< S+ 0 0 45 -4,-2.3 3,-1.8 1,-0.3 -1,-0.2 0.858 95.3 64.5 -59.1 -29.8 -34.8 31.5 25.3 102 118 A R T << S+ 0 0 158 -4,-1.1 -1,-0.3 -3,-0.6 -2,-0.2 0.683 86.2 73.7 -67.7 -19.4 -38.5 31.8 24.1 103 119 A L T < S+ 0 0 36 -3,-1.7 -1,-0.3 -4,-0.5 -2,-0.2 0.638 101.8 43.5 -68.7 -10.2 -38.5 28.0 23.6 104 120 A M S < S- 0 0 15 -3,-1.8 5,-0.0 -4,-0.2 0, 0.0 -0.860 105.0 -78.8-132.1 165.2 -38.6 27.6 27.4 105 121 A P > - 0 0 85 0, 0.0 3,-1.2 0, 0.0 5,-0.1 -0.342 37.6-127.9 -61.8 142.9 -40.6 29.2 30.3 106 122 A S T 3 S+ 0 0 115 1,-0.3 -3,-0.0 -4,-0.1 -4,-0.0 0.811 113.1 58.8 -65.3 -23.9 -39.0 32.6 31.1 107 123 A S T 3 S+ 0 0 94 2,-0.0 -1,-0.3 0, 0.0 2,-0.2 0.818 112.0 37.4 -58.6 -36.4 -39.0 31.2 34.7 108 124 A E < - 0 0 112 -3,-1.2 2,-0.4 2,-0.0 -4,-0.1 -0.570 64.6-131.7-128.8 166.3 -36.8 28.2 33.7 109 125 A I - 0 0 43 -2,-0.2 2,-0.9 -5,-0.0 -3,-0.1 -0.990 19.2-140.9-122.6 121.8 -34.0 26.7 31.7 110 126 A D > - 0 0 71 -2,-0.4 4,-2.9 1,-0.2 5,-0.2 -0.756 21.5-157.7 -75.1 106.7 -34.5 23.4 29.7 111 127 A E H > S+ 0 0 104 -2,-0.9 4,-2.8 1,-0.2 5,-0.2 0.884 85.2 50.0 -64.3 -43.3 -31.0 22.0 30.4 112 128 A P H > S+ 0 0 91 0, 0.0 4,-2.1 0, 0.0 -1,-0.2 0.930 115.8 43.8 -62.3 -42.7 -30.7 19.6 27.5 113 129 A L H > S+ 0 0 12 2,-0.2 4,-2.6 1,-0.2 -2,-0.2 0.921 114.4 49.5 -66.2 -40.5 -31.7 22.4 25.0 114 130 A R H X S+ 0 0 67 -4,-2.9 4,-2.6 1,-0.2 -1,-0.2 0.923 109.8 52.2 -66.0 -39.2 -29.4 24.9 26.8 115 131 A K H X S+ 0 0 151 -4,-2.8 4,-1.9 1,-0.2 -1,-0.2 0.926 111.4 46.5 -59.6 -46.6 -26.6 22.4 26.6 116 132 A R H X S+ 0 0 101 -4,-2.1 4,-1.2 2,-0.2 -1,-0.2 0.867 111.0 52.2 -62.9 -39.7 -27.2 21.9 22.8 117 133 A F H >X S+ 0 0 11 -4,-2.6 4,-0.8 2,-0.2 3,-0.6 0.924 108.4 50.6 -62.9 -44.2 -27.4 25.7 22.3 118 134 A V H >< S+ 0 0 69 -4,-2.6 3,-0.7 1,-0.2 4,-0.4 0.902 107.0 55.8 -58.9 -38.9 -24.0 26.1 24.1 119 135 A Q H >< S+ 0 0 92 -4,-1.9 3,-1.2 1,-0.2 4,-0.3 0.768 91.9 71.5 -69.4 -25.3 -22.6 23.5 21.8 120 136 A V H X< S+ 0 0 2 -4,-1.2 3,-1.5 -3,-0.6 -1,-0.2 0.923 97.0 50.1 -54.8 -45.6 -23.6 25.4 18.6 121 137 A G T << S+ 0 0 1 -4,-0.8 -1,-0.2 -3,-0.7 -2,-0.2 0.598 103.3 60.8 -74.8 -10.5 -20.9 28.0 19.3 122 138 A H T < S+ 0 0 95 -3,-1.2 -1,-0.3 -4,-0.4 -2,-0.2 0.328 70.8 135.4 -99.3 7.1 -18.2 25.4 19.7 123 139 A A < - 0 0 13 -3,-1.5 -3,-0.0 -4,-0.3 3,-0.0 -0.306 46.3-151.8 -52.6 132.1 -18.5 23.9 16.2 124 140 A V S S+ 0 0 139 1,-0.0 2,-0.3 2,-0.0 -1,-0.1 0.689 75.8 34.1 -83.8 -22.0 -15.0 23.3 14.7 125 141 A T S > S- 0 0 75 1,-0.1 4,-2.5 0, 0.0 5,-0.1 -0.921 79.8-118.4-131.1 159.7 -16.1 23.7 11.1 126 142 A Y H > S+ 0 0 44 -2,-0.3 4,-2.9 1,-0.2 5,-0.2 0.859 115.7 58.4 -63.4 -35.8 -18.8 25.7 9.2 127 143 A K H > S+ 0 0 143 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.911 110.0 42.4 -56.8 -44.9 -20.4 22.4 8.1 128 144 A A H > S+ 0 0 15 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.900 113.3 53.0 -70.2 -39.3 -20.9 21.5 11.8 129 145 A L H X S+ 0 0 1 -4,-2.5 4,-2.6 1,-0.2 5,-0.2 0.929 110.8 46.5 -61.7 -46.1 -22.0 25.0 12.7 130 146 A A H X S+ 0 0 25 -4,-2.9 4,-2.0 2,-0.2 -1,-0.2 0.888 112.9 49.5 -61.8 -43.7 -24.6 24.9 9.9 131 147 A Q H X S+ 0 0 99 -4,-2.1 4,-1.4 2,-0.2 -2,-0.2 0.897 113.5 46.9 -63.2 -42.0 -25.9 21.4 11.0 132 148 A R H X S+ 0 0 83 -4,-2.6 4,-1.3 1,-0.2 -2,-0.2 0.901 112.6 49.1 -68.4 -41.9 -26.1 22.6 14.7 133 149 A L H X S+ 0 0 0 -4,-2.6 4,-2.8 -5,-0.2 5,-0.3 0.863 104.6 59.6 -63.7 -38.7 -27.9 25.8 13.7 134 150 A R H X S+ 0 0 117 -4,-2.0 4,-2.3 1,-0.2 -1,-0.2 0.919 102.9 52.2 -56.3 -41.9 -30.4 23.8 11.5 135 151 A E H X S+ 0 0 93 -4,-1.4 4,-1.2 1,-0.2 -1,-0.2 0.907 112.4 46.0 -61.4 -40.5 -31.5 21.8 14.6 136 152 A I H X S+ 0 0 2 -4,-1.3 4,-2.6 2,-0.2 3,-0.3 0.929 111.5 49.9 -69.0 -45.9 -32.2 25.1 16.5 137 153 A V H X S+ 0 0 0 -4,-2.8 4,-2.8 1,-0.3 -2,-0.2 0.875 105.1 58.5 -65.5 -34.4 -34.0 26.8 13.6 138 154 A T H X S+ 0 0 58 -4,-2.3 4,-1.7 -5,-0.3 -1,-0.3 0.909 109.5 44.7 -56.6 -43.2 -36.2 23.7 13.2 139 155 A L H X S+ 0 0 65 -4,-1.2 4,-1.4 -3,-0.3 -2,-0.2 0.914 111.8 51.8 -69.6 -42.4 -37.3 24.2 16.9 140 156 A L H <>S+ 0 0 0 -4,-2.6 5,-2.7 1,-0.2 -2,-0.2 0.894 108.2 52.8 -59.3 -41.7 -37.8 28.0 16.4 141 157 A R H ><5S+ 0 0 63 -4,-2.8 3,-1.4 3,-0.2 -1,-0.2 0.892 103.2 56.2 -58.3 -44.3 -40.0 27.3 13.4 142 158 A R H 3<5S+ 0 0 206 -4,-1.7 -1,-0.2 1,-0.3 -2,-0.2 0.861 114.2 40.2 -59.6 -32.6 -42.2 24.9 15.4 143 159 A D T 3<5S- 0 0 89 -4,-1.4 -1,-0.3 -3,-0.2 -2,-0.2 0.328 111.5-123.3 -95.8 2.2 -42.9 27.8 17.9 144 160 A A T < 5 + 0 0 34 -3,-1.4 -3,-0.2 1,-0.2 -2,-0.1 0.865 55.0 158.2 57.9 37.6 -43.1 30.4 15.1 145 161 A I < - 0 0 14 -5,-2.7 -1,-0.2 -6,-0.1 -2,-0.1 -0.872 32.5-138.3 -93.6 126.5 -40.3 32.5 16.6 146 162 A P - 0 0 10 0, 0.0 2,-0.3 0, 0.0 -56,-0.2 -0.205 12.9-155.4 -78.6 164.8 -38.6 34.8 14.1 147 163 A L B -a 90 0A 1 -58,-3.0 -56,-1.4 -48,-0.0 2,-1.1 -0.980 24.6-114.8-136.2 152.1 -34.9 35.4 13.7 148 164 A D > - 0 0 4 -54,-2.7 4,-2.6 -2,-0.3 -52,-0.1 -0.760 29.6-174.6 -86.4 99.3 -32.8 38.4 12.3 149 165 A Y H > S+ 0 0 0 -2,-1.1 4,-2.5 2,-0.2 -1,-0.2 0.781 81.0 57.5 -68.6 -27.1 -31.1 36.7 9.3 150 166 A G H > S+ 0 0 0 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.948 111.6 43.2 -62.4 -48.6 -29.0 39.8 8.5 151 167 A L H > S+ 0 0 54 1,-0.2 4,-2.1 2,-0.2 -2,-0.2 0.946 113.4 51.3 -62.5 -43.9 -27.6 39.7 12.0 152 168 A L H X S+ 0 0 3 -4,-2.6 4,-3.0 1,-0.2 -1,-0.2 0.901 107.4 52.8 -62.0 -40.5 -27.1 35.9 11.8 153 169 A A H X S+ 0 0 0 -4,-2.5 4,-2.5 1,-0.2 -1,-0.2 0.918 108.8 50.9 -60.2 -45.2 -25.2 36.2 8.5 154 170 A D H X S+ 0 0 15 -4,-2.1 4,-3.0 2,-0.2 -1,-0.2 0.910 112.0 46.1 -54.0 -44.1 -22.9 38.8 10.1 155 171 A Q H X S+ 0 0 15 -4,-2.1 4,-1.5 2,-0.2 -2,-0.2 0.888 108.5 55.4 -72.4 -40.4 -22.2 36.5 13.1 156 172 A L H < S+ 0 0 4 -4,-3.0 3,-0.4 2,-0.2 -1,-0.2 0.934 113.2 42.9 -52.8 -50.4 -21.7 33.5 10.7 157 173 A Y H >< S+ 0 0 18 -4,-2.5 3,-2.0 1,-0.2 -2,-0.2 0.941 109.7 57.3 -61.0 -45.6 -19.0 35.6 8.9 158 174 A Q H >< S+ 0 0 66 -4,-3.0 3,-1.1 1,-0.3 -1,-0.2 0.758 91.2 74.6 -58.9 -25.4 -17.6 36.8 12.3 159 175 A F T 3< + 0 0 22 -4,-1.5 -1,-0.3 -3,-0.4 6,-0.3 0.563 68.7 90.8 -62.3 -10.8 -17.0 33.2 13.3 160 176 A R T < S+ 0 0 89 -3,-2.0 -1,-0.2 -4,-0.1 -2,-0.1 0.683 85.3 50.1 -67.5 -22.5 -14.0 32.8 11.0 161 177 A T S <> S- 0 0 65 -3,-1.1 4,-2.7 1,-0.1 5,-0.2 -0.839 85.7-122.3-112.8 152.5 -11.5 33.8 13.7 162 178 A P H > S+ 0 0 114 0, 0.0 4,-2.0 0, 0.0 5,-0.2 0.928 115.7 49.6 -59.1 -40.3 -11.2 32.5 17.3 163 179 A Q H > S+ 0 0 117 2,-0.2 4,-1.8 1,-0.2 5,-0.1 0.908 110.8 48.5 -67.1 -39.7 -11.7 36.0 18.7 164 180 A G H > S+ 0 0 3 2,-0.2 4,-2.4 1,-0.2 -5,-0.2 0.921 109.2 53.7 -62.9 -42.9 -14.8 36.6 16.5 165 181 A A H X S+ 0 0 9 -4,-2.7 4,-2.9 -6,-0.3 5,-0.2 0.886 108.0 50.2 -56.8 -43.0 -16.3 33.2 17.6 166 182 A Q H X S+ 0 0 121 -4,-2.0 4,-2.5 -5,-0.2 -1,-0.2 0.898 109.5 51.3 -60.8 -43.4 -15.9 34.2 21.2 167 183 A R H X S+ 0 0 130 -4,-1.8 4,-2.4 2,-0.2 -2,-0.2 0.915 111.8 47.2 -64.0 -40.1 -17.6 37.5 20.5 168 184 A V H X S+ 0 0 0 -4,-2.4 4,-2.5 2,-0.2 -2,-0.2 0.943 111.6 48.8 -66.5 -47.4 -20.5 35.7 18.8 169 185 A R H X S+ 0 0 79 -4,-2.9 4,-3.0 2,-0.2 -2,-0.2 0.917 111.8 51.4 -54.9 -42.8 -20.8 33.1 21.7 170 186 A T H X S+ 0 0 72 -4,-2.5 4,-2.8 -5,-0.2 5,-0.2 0.934 109.5 48.8 -63.0 -44.4 -20.8 36.0 24.1 171 187 A A H X S+ 0 0 26 -4,-2.4 4,-2.5 1,-0.2 -1,-0.2 0.914 114.0 46.4 -62.0 -40.5 -23.6 37.9 22.2 172 188 A W H X S+ 0 0 11 -4,-2.5 4,-2.3 2,-0.2 -2,-0.2 0.920 112.5 50.6 -67.2 -44.1 -25.7 34.6 22.1 173 189 A G H X S+ 0 0 32 -4,-3.0 4,-1.5 -5,-0.2 -2,-0.2 0.932 112.3 46.9 -55.0 -51.2 -25.1 34.0 25.8 174 190 A R H X S+ 0 0 167 -4,-2.8 4,-1.0 1,-0.2 -2,-0.2 0.908 112.4 49.3 -60.1 -45.6 -26.1 37.6 26.7 175 191 A G H < S+ 0 0 6 -4,-2.5 3,-0.4 1,-0.2 -1,-0.2 0.879 105.8 57.2 -66.7 -35.3 -29.3 37.4 24.5 176 192 A F H < S+ 0 0 5 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.906 116.9 34.3 -60.7 -37.7 -30.3 34.1 26.1 177 193 A H H < 0 0 107 -4,-1.5 -1,-0.2 -3,-0.2 -2,-0.2 0.515 360.0 360.0 -94.6 -4.0 -30.3 35.6 29.6 178 194 A A < 0 0 112 -4,-1.0 -3,-0.1 -3,-0.4 -4,-0.0 0.009 360.0 360.0 -55.1 360.0 -31.5 39.2 28.7