==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=11-SEP-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSCRIPTION REPRESSOR, DRUG BINDING 14-MAY-09 3HGY . COMPND 2 MOLECULE: CMER; . SOURCE 2 ORGANISM_SCIENTIFIC: CAMPYLOBACTER JEJUNI; . AUTHOR M.D.ROUTH,F.YANG . 202 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12853.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 153 75.7 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 2.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 24 11.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 122 60.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 1.0 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 1 0 1 2 0 1 1 0 1 0 0 2 0 0 0 0 0 1 0 0 1 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 6 A T > 0 0 94 0, 0.0 4,-2.2 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0 135.6 41.6 22.6 30.7 2 7 A P H > + 0 0 104 0, 0.0 4,-2.3 0, 0.0 5,-0.1 0.951 360.0 53.0 -47.5 -51.8 39.2 24.5 32.9 3 8 A S H > S+ 0 0 83 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.887 107.3 50.3 -57.4 -42.7 36.9 25.0 29.9 4 9 A Q H > S+ 0 0 136 1,-0.2 4,-3.0 2,-0.2 -1,-0.2 0.926 110.2 50.1 -59.1 -46.0 36.8 21.2 29.1 5 10 A K H X S+ 0 0 141 -4,-2.2 4,-2.1 2,-0.2 -2,-0.2 0.899 109.2 52.3 -61.2 -40.5 36.0 20.4 32.8 6 11 A V H X S+ 0 0 77 -4,-2.3 4,-2.4 -5,-0.2 3,-0.4 0.980 112.9 43.6 -59.4 -54.3 33.2 22.9 32.8 7 12 A L H X S+ 0 0 96 -4,-2.3 4,-2.5 1,-0.3 -2,-0.2 0.867 110.9 54.3 -58.0 -42.7 31.6 21.4 29.6 8 13 A A H X S+ 0 0 64 -4,-3.0 4,-1.1 1,-0.2 -1,-0.3 0.887 109.6 48.7 -60.9 -35.2 32.1 17.9 30.9 9 14 A R H X S+ 0 0 118 -4,-2.1 4,-2.1 -3,-0.4 3,-0.4 0.903 108.2 53.1 -70.9 -42.1 30.2 18.9 34.1 10 15 A Q H X S+ 0 0 43 -4,-2.4 4,-2.0 1,-0.2 -2,-0.2 0.913 107.1 53.7 -56.2 -43.0 27.4 20.4 32.0 11 16 A E H X S+ 0 0 94 -4,-2.5 4,-2.1 2,-0.2 -1,-0.2 0.799 105.3 53.9 -61.0 -30.7 27.2 17.1 30.2 12 17 A K H X S+ 0 0 109 -4,-1.1 4,-2.8 -3,-0.4 5,-0.2 0.933 109.0 48.5 -68.1 -47.8 26.8 15.2 33.6 13 18 A I H X S+ 0 0 0 -4,-2.1 4,-2.6 2,-0.2 -2,-0.2 0.910 112.8 46.2 -57.8 -50.5 23.9 17.4 34.6 14 19 A K H X S+ 0 0 14 -4,-2.0 4,-2.9 2,-0.2 5,-0.2 0.950 113.8 49.5 -58.8 -48.6 22.0 17.0 31.3 15 20 A A H X S+ 0 0 57 -4,-2.1 4,-2.4 1,-0.2 5,-0.2 0.907 112.4 47.3 -57.7 -45.2 22.7 13.2 31.4 16 21 A V H X S+ 0 0 14 -4,-2.8 4,-2.5 1,-0.2 -1,-0.2 0.955 112.8 50.7 -58.9 -47.1 21.4 12.9 35.0 17 22 A A H X S+ 0 0 0 -4,-2.6 4,-2.4 -5,-0.2 -2,-0.2 0.907 110.3 47.7 -60.4 -43.8 18.4 15.0 34.0 18 23 A L H X S+ 0 0 51 -4,-2.9 4,-2.3 2,-0.2 5,-0.2 0.940 110.7 50.9 -63.5 -48.3 17.5 12.9 30.9 19 24 A E H X S+ 0 0 120 -4,-2.4 4,-2.7 1,-0.2 5,-0.4 0.936 113.2 46.3 -56.5 -44.6 17.8 9.7 32.9 20 25 A L H X>S+ 0 0 16 -4,-2.5 5,-1.6 1,-0.2 4,-1.0 0.870 109.9 53.5 -64.0 -37.5 15.4 11.1 35.6 21 26 A F H <5S+ 0 0 12 -4,-2.4 5,-0.4 -5,-0.2 -1,-0.2 0.897 115.9 41.1 -64.5 -33.1 13.0 12.4 32.9 22 27 A L H <5S+ 0 0 103 -4,-2.3 -2,-0.2 3,-0.2 -1,-0.2 0.840 126.4 28.2 -85.3 -37.3 12.9 8.8 31.5 23 28 A T H <5S+ 0 0 96 -4,-2.7 -3,-0.2 -5,-0.2 -2,-0.1 0.939 133.4 28.1 -87.7 -55.5 12.8 6.7 34.5 24 29 A K T <5S- 0 0 103 -4,-1.0 -3,-0.2 -5,-0.4 -2,-0.1 0.835 112.4-106.8 -80.0 -33.6 11.1 8.9 37.1 25 30 A G >< - 0 0 25 -5,-1.6 4,-1.3 -4,-0.1 -3,-0.2 -0.066 17.9-104.0 113.3 143.6 9.0 11.1 34.8 26 31 A Y T 4 S+ 0 0 16 -5,-0.4 -1,-0.1 1,-0.2 -4,-0.1 0.887 116.9 47.2 -63.0 -41.0 9.3 14.7 33.7 27 32 A Q T 4 S+ 0 0 125 1,-0.2 -1,-0.2 -6,-0.1 -2,-0.1 0.803 113.2 45.7 -76.0 -32.3 6.6 16.0 36.0 28 33 A E T 4 S+ 0 0 137 -7,-0.1 2,-0.4 -4,-0.1 -1,-0.2 0.688 95.0 91.9 -89.1 -13.5 7.6 14.2 39.2 29 34 A T < - 0 0 1 -4,-1.3 2,-0.3 -9,-0.1 23,-0.1 -0.633 61.0-167.0 -78.9 126.9 11.3 15.2 38.7 30 35 A S >> - 0 0 51 -2,-0.4 4,-1.4 1,-0.1 3,-0.6 -0.759 37.1-104.2-108.3 163.4 12.2 18.4 40.4 31 36 A L H >> S+ 0 0 48 -2,-0.3 4,-2.1 1,-0.2 3,-0.8 0.915 121.1 57.3 -44.2 -46.6 15.3 20.5 40.0 32 37 A S H 3> S+ 0 0 77 1,-0.3 4,-3.2 2,-0.2 -1,-0.2 0.842 97.6 57.1 -63.9 -40.7 16.5 19.1 43.3 33 38 A D H <> S+ 0 0 24 -3,-0.6 4,-1.7 1,-0.2 -1,-0.3 0.902 112.3 46.1 -50.6 -41.3 16.3 15.5 42.3 34 39 A I H < S+ 0 0 156 -4,-3.2 3,-1.2 1,-0.2 -2,-0.2 0.926 111.9 40.6 -51.3 -57.5 21.2 15.7 44.2 37 42 A L H 3< S+ 0 0 86 -4,-1.7 -1,-0.2 1,-0.3 -2,-0.2 0.559 109.9 61.7 -75.0 -12.0 22.2 13.0 41.8 38 43 A S H >< S- 0 0 7 -4,-0.6 3,-0.8 -3,-0.4 -1,-0.3 0.620 96.9-163.2 -82.4 -17.6 24.6 15.4 40.2 39 44 A G G XX - 0 0 37 -3,-1.2 3,-0.6 -4,-0.7 4,-0.6 -0.276 53.6 -28.7 71.6-154.3 26.3 15.6 43.5 40 45 A G G 34 S+ 0 0 74 1,-0.3 -1,-0.2 2,-0.2 -4,-0.1 -0.015 120.1 90.4 -86.6 24.7 28.8 18.4 44.5 41 46 A S G <4 S+ 0 0 35 -3,-0.8 -1,-0.3 -6,-0.2 -28,-0.2 -0.075 99.7 27.9-103.3 18.6 29.4 18.5 40.8 42 47 A Y T <4 + 0 0 13 -3,-0.6 -2,-0.2 -7,-0.1 -6,-0.1 0.195 63.9 162.6-132.4 -87.2 26.6 21.1 40.8 43 48 A S S < S- 0 0 79 -4,-0.6 -3,-0.1 -8,-0.2 -7,-0.0 0.991 81.9 -37.2 48.2 82.5 25.8 23.3 43.9 44 49 A N S S- 0 0 139 1,-0.1 2,-0.1 2,-0.0 6,-0.1 0.911 88.0-179.9 43.1 82.1 23.6 26.2 42.5 45 50 A I - 0 0 36 4,-0.4 2,-0.5 1,-0.0 -1,-0.1 -0.435 23.0-100.3-117.9-172.7 25.1 27.1 39.1 46 51 A Y S S+ 0 0 186 -2,-0.1 2,-0.2 2,-0.1 4,-0.1 -0.888 71.1 46.1-130.9 107.6 24.7 29.4 36.0 47 52 A D S S- 0 0 92 -2,-0.5 3,-0.0 0, 0.0 7,-0.0 -0.663 117.0 -36.9 176.8-112.7 23.2 29.1 32.5 48 53 A G S > S+ 0 0 22 -2,-0.2 2,-1.0 6,-0.1 3,-0.5 0.018 113.0 101.4-114.6 15.6 19.8 27.6 31.8 49 54 A F T 3 + 0 0 3 1,-0.2 -4,-0.4 5,-0.2 3,-0.1 -0.556 51.4 93.5 -93.3 61.0 20.6 25.2 34.6 50 55 A K T 3 S+ 0 0 135 -2,-1.0 2,-0.3 1,-0.4 -1,-0.2 0.286 93.3 17.6-131.3 -0.8 18.4 27.2 37.1 51 56 A S S <> S- 0 0 31 -3,-0.5 4,-1.5 -20,-0.1 -1,-0.4 -0.941 80.3-109.9-164.4 159.6 15.2 25.2 36.6 52 57 A K H > S+ 0 0 22 -2,-0.3 4,-1.7 2,-0.2 5,-0.1 0.793 116.2 58.7 -73.9 -24.3 14.3 21.8 35.1 53 58 A E H > S+ 0 0 45 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.926 104.3 51.8 -68.1 -44.0 12.6 23.4 32.1 54 59 A G H > S+ 0 0 15 1,-0.2 4,-2.1 2,-0.2 -2,-0.2 0.910 109.1 49.1 -54.6 -47.4 15.9 25.0 31.2 55 60 A L H X S+ 0 0 0 -4,-1.5 4,-1.6 1,-0.2 -1,-0.2 0.875 108.6 55.2 -58.5 -40.4 17.8 21.7 31.4 56 61 A F H X S+ 0 0 1 -4,-1.7 4,-1.7 1,-0.2 -1,-0.2 0.905 109.2 45.2 -61.8 -44.3 15.2 20.2 29.2 57 62 A F H X S+ 0 0 11 -4,-2.1 4,-2.3 1,-0.2 -1,-0.2 0.840 106.8 59.0 -75.8 -26.3 15.6 22.8 26.5 58 63 A E H X S+ 0 0 51 -4,-2.1 4,-1.4 1,-0.2 -1,-0.2 0.875 107.4 49.2 -65.1 -32.4 19.4 22.5 26.8 59 64 A I H X S+ 0 0 11 -4,-1.6 4,-1.7 2,-0.2 -2,-0.2 0.919 108.8 50.8 -68.6 -42.6 18.9 18.9 25.9 60 65 A L H X S+ 0 0 13 -4,-1.7 4,-3.4 1,-0.2 5,-0.3 0.842 102.9 60.8 -66.2 -36.5 16.6 19.7 22.9 61 66 A D H X S+ 0 0 49 -4,-2.3 4,-2.8 1,-0.2 -1,-0.2 0.966 107.6 45.8 -46.6 -55.5 19.2 22.1 21.6 62 67 A D H X S+ 0 0 73 -4,-1.4 4,-2.1 1,-0.2 -2,-0.2 0.863 114.4 46.2 -57.8 -40.7 21.6 19.2 21.4 63 68 A I H X S+ 0 0 41 -4,-1.7 4,-2.7 2,-0.2 -1,-0.2 0.886 113.2 48.5 -74.3 -40.6 19.0 16.9 19.7 64 69 A C H X S+ 0 0 30 -4,-3.4 4,-2.6 2,-0.2 -2,-0.2 0.902 111.8 49.7 -65.4 -42.0 17.9 19.5 17.2 65 70 A K H X S+ 0 0 160 -4,-2.8 4,-1.8 -5,-0.3 -2,-0.2 0.902 111.6 50.6 -63.3 -40.2 21.5 20.2 16.4 66 71 A K H X S+ 0 0 140 -4,-2.1 4,-1.9 -5,-0.2 -2,-0.2 0.910 112.5 45.1 -63.3 -41.2 22.0 16.5 16.0 67 72 A H H X S+ 0 0 63 -4,-2.7 4,-2.5 2,-0.2 5,-0.2 0.918 109.6 54.4 -71.8 -40.5 19.0 16.1 13.7 68 73 A F H X S+ 0 0 60 -4,-2.6 4,-2.6 2,-0.2 5,-0.2 0.934 109.8 46.7 -51.5 -55.0 19.9 19.1 11.5 69 74 A H H X S+ 0 0 126 -4,-1.8 4,-3.0 1,-0.2 5,-0.2 0.956 113.5 51.0 -53.5 -53.5 23.5 17.8 10.8 70 75 A L H X S+ 0 0 71 -4,-1.9 4,-1.5 1,-0.2 -1,-0.2 0.839 114.3 41.2 -50.2 -46.7 22.0 14.4 10.0 71 76 A I H X S+ 0 0 2 -4,-2.5 4,-1.2 2,-0.2 -1,-0.2 0.803 114.9 50.7 -77.8 -33.9 19.4 15.7 7.6 72 77 A Y H X S+ 0 0 112 -4,-2.6 4,-2.4 -5,-0.2 3,-0.4 0.947 109.4 51.6 -66.6 -49.4 21.7 18.2 5.9 73 78 A S H X S+ 0 0 47 -4,-3.0 4,-1.0 1,-0.2 -2,-0.2 0.902 110.2 48.9 -52.0 -47.2 24.4 15.5 5.4 74 79 A K H < S+ 0 0 120 -4,-1.5 -1,-0.2 -5,-0.2 -2,-0.2 0.795 112.7 48.5 -66.8 -30.0 21.8 13.2 3.7 75 80 A T H < S+ 0 0 2 -4,-1.2 -2,-0.2 -3,-0.4 -1,-0.2 0.954 108.8 48.4 -74.3 -54.1 20.5 15.9 1.4 76 81 A Q H >< S+ 0 0 100 -4,-2.4 2,-2.3 1,-0.2 3,-0.7 0.696 90.2 92.5 -61.7 -20.3 23.9 17.2 0.0 77 82 A E T 3< S+ 0 0 120 -4,-1.0 -1,-0.2 -5,-0.3 -4,-0.0 -0.453 70.4 73.3 -71.9 65.4 24.7 13.6 -0.6 78 83 A I T 3 - 0 0 44 -2,-2.3 -1,-0.2 2,-0.1 -2,-0.1 0.518 67.1-154.5-139.0 -44.5 23.4 13.6 -4.2 79 84 A K S < S+ 0 0 183 -3,-0.7 -2,-0.1 1,-0.1 -3,-0.1 0.185 83.7 47.2 69.5 -15.0 25.7 15.5 -6.8 80 85 A N - 0 0 98 2,-0.1 -1,-0.1 -4,-0.0 -2,-0.1 0.613 67.6-168.7 -75.7-129.9 22.3 15.8 -8.6 81 86 A G - 0 0 28 1,-0.1 -2,-0.1 -3,-0.1 -3,-0.0 0.555 26.2-178.0-158.1 152.1 19.5 16.5 -8.1 82 87 A T > - 0 0 81 1,-0.1 4,-2.1 4,-0.0 5,-0.2 -0.369 48.2-117.2 -63.8 145.6 15.9 16.7 -9.2 83 88 A L H > S+ 0 0 24 1,-0.2 4,-3.2 2,-0.2 5,-0.3 0.884 118.6 62.7 -48.7 -37.4 13.6 18.4 -6.7 84 89 A K H > S+ 0 0 133 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.949 105.6 41.5 -52.5 -57.6 12.0 14.9 -6.7 85 90 A E H > S+ 0 0 71 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.813 115.8 50.8 -57.1 -37.8 15.2 13.2 -5.4 86 91 A I H X S+ 0 0 6 -4,-2.1 4,-2.6 2,-0.2 5,-0.2 0.948 110.3 48.2 -71.9 -51.3 15.8 16.1 -2.9 87 92 A L H X S+ 0 0 0 -4,-3.2 4,-2.9 2,-0.2 -2,-0.2 0.896 115.7 43.6 -50.5 -48.3 12.3 16.0 -1.4 88 93 A T H X S+ 0 0 34 -4,-2.2 4,-2.9 -5,-0.3 5,-0.2 0.886 111.6 53.3 -73.9 -35.6 12.3 12.2 -1.0 89 94 A S H X S+ 0 0 26 -4,-1.9 4,-1.4 -5,-0.2 -1,-0.2 0.936 114.9 42.0 -61.7 -46.1 15.8 12.2 0.4 90 95 A F H X S+ 0 0 1 -4,-2.6 4,-2.6 2,-0.2 5,-0.3 0.908 112.0 57.1 -61.5 -46.0 14.7 14.8 3.0 91 96 A G H X S+ 0 0 0 -4,-2.9 4,-3.0 1,-0.2 5,-0.4 0.965 105.4 49.5 -45.3 -62.6 11.5 12.9 3.5 92 97 A L H X S+ 0 0 72 -4,-2.9 4,-1.5 1,-0.2 -1,-0.2 0.831 114.5 42.9 -51.0 -46.0 13.1 9.7 4.5 93 98 A A H X S+ 0 0 6 -4,-1.4 4,-1.5 -5,-0.2 -1,-0.2 0.917 116.3 46.2 -70.9 -45.2 15.5 11.3 7.0 94 99 A F H X S+ 0 0 7 -4,-2.6 4,-1.4 1,-0.2 3,-0.4 0.960 115.2 45.8 -61.5 -55.5 12.9 13.6 8.6 95 100 A I H X S+ 0 0 6 -4,-3.0 4,-0.5 -5,-0.3 -1,-0.2 0.819 108.2 58.5 -58.1 -34.1 10.2 10.9 8.9 96 101 A E H >< S+ 0 0 68 -4,-1.5 3,-0.7 -5,-0.4 -1,-0.2 0.874 104.4 50.8 -67.1 -38.0 12.7 8.4 10.3 97 102 A I H >< S+ 0 0 17 -4,-1.5 3,-0.8 -3,-0.4 6,-0.4 0.860 107.2 53.2 -68.7 -33.9 13.5 10.7 13.2 98 103 A F H 3< S+ 0 0 43 -4,-1.4 -1,-0.2 1,-0.3 -2,-0.2 0.538 100.9 63.5 -81.0 -4.1 9.8 11.2 14.1 99 104 A N T << S+ 0 0 16 -3,-0.7 -1,-0.3 -4,-0.5 -2,-0.1 -0.135 79.9 101.9-110.2 35.0 9.3 7.5 14.2 100 105 A Q S X> S- 0 0 74 -3,-0.8 4,-1.2 1,-0.1 3,-0.7 -0.932 80.7-122.3-114.5 141.2 11.7 6.9 17.1 101 106 A P H 3> S+ 0 0 81 0, 0.0 4,-2.4 0, 0.0 5,-0.1 0.816 112.8 63.6 -50.3 -30.4 10.4 6.3 20.7 102 107 A E H 3> S+ 0 0 105 1,-0.2 4,-2.3 2,-0.2 5,-0.3 0.923 96.5 53.5 -59.5 -50.7 12.5 9.3 21.6 103 108 A A H <> S+ 0 0 17 -3,-0.7 4,-1.2 -6,-0.4 -1,-0.2 0.814 112.9 45.9 -52.6 -36.9 10.5 11.8 19.4 104 109 A V H X S+ 0 0 19 -4,-1.2 4,-2.3 2,-0.2 5,-0.2 0.956 109.8 52.3 -71.8 -50.4 7.3 10.6 21.1 105 110 A A H X S+ 0 0 39 -4,-2.4 4,-1.2 1,-0.2 -2,-0.2 0.898 114.4 41.7 -53.7 -48.1 8.7 10.8 24.7 106 111 A F H X S+ 0 0 26 -4,-2.3 4,-2.4 1,-0.2 -1,-0.2 0.842 109.4 61.0 -66.1 -36.0 10.0 14.5 24.3 107 112 A G H X S+ 0 0 4 -4,-1.2 4,-2.3 -5,-0.3 5,-0.2 0.921 102.8 51.2 -53.5 -45.7 6.7 15.2 22.5 108 113 A K H X S+ 0 0 87 -4,-2.3 4,-1.5 1,-0.2 -1,-0.2 0.883 108.3 51.7 -63.7 -36.9 4.9 14.3 25.7 109 114 A I H < S+ 0 0 18 -4,-1.2 4,-0.5 -5,-0.2 -1,-0.2 0.928 110.5 47.2 -63.8 -47.3 7.1 16.6 27.7 110 115 A I H >< S+ 0 0 48 -4,-2.4 3,-1.8 1,-0.2 -2,-0.2 0.967 111.9 49.5 -58.2 -58.6 6.4 19.6 25.4 111 116 A Y H >< S+ 0 0 72 -4,-2.3 3,-1.2 1,-0.3 -1,-0.2 0.803 103.5 60.7 -51.2 -36.1 2.6 19.1 25.3 112 117 A S T 3< S+ 0 0 54 -4,-1.5 3,-0.5 1,-0.3 -1,-0.3 0.692 95.4 64.0 -68.3 -13.4 2.5 18.8 29.1 113 118 A Q T X + 0 0 15 -3,-1.8 3,-1.1 -4,-0.5 -1,-0.3 0.152 65.3 114.3 -93.7 14.6 3.9 22.4 29.4 114 119 A V T < S+ 0 0 110 -3,-1.2 -1,-0.2 1,-0.3 -2,-0.1 0.774 82.1 41.4 -63.0 -25.7 0.8 23.8 27.7 115 120 A Y T 3 S+ 0 0 215 -3,-0.5 -1,-0.3 3,-0.0 -2,-0.1 0.477 80.1 136.0-102.1 -4.3 -0.1 25.6 31.0 116 121 A D X - 0 0 43 -3,-1.1 3,-0.9 1,-0.2 5,-0.1 -0.210 42.1-157.9 -40.6 116.9 3.6 26.8 32.0 117 122 A K T 3 S+ 0 0 204 1,-0.2 -1,-0.2 2,-0.1 -3,-0.0 0.457 84.9 66.8 -87.1 1.6 3.3 30.4 33.1 118 123 A D T 3 S- 0 0 108 4,-0.0 -1,-0.2 0, 0.0 -2,-0.1 0.355 91.7-140.0 -98.9 0.5 7.0 31.0 32.4 119 124 A R <> + 0 0 138 -3,-0.9 4,-2.6 1,-0.1 5,-0.2 0.757 46.5 152.0 52.0 26.7 6.8 30.6 28.6 120 125 A H H > S+ 0 0 49 1,-0.2 4,-2.3 2,-0.2 -1,-0.1 0.862 72.7 50.3 -53.9 -36.2 10.1 28.8 28.5 121 126 A L H > S+ 0 0 38 2,-0.2 4,-2.6 -8,-0.2 -1,-0.2 0.842 108.7 49.5 -73.2 -37.5 8.9 27.0 25.4 122 127 A A H > S+ 0 0 36 2,-0.2 4,-3.2 -3,-0.2 5,-0.2 0.927 111.8 48.9 -68.7 -48.9 7.8 30.2 23.6 123 128 A N H X S+ 0 0 66 -4,-2.6 4,-1.9 2,-0.2 -2,-0.2 0.958 113.1 48.6 -49.0 -53.4 11.2 31.8 24.3 124 129 A W H < S+ 0 0 31 -4,-2.3 4,-0.4 -5,-0.2 -2,-0.2 0.903 114.4 43.6 -59.6 -46.2 12.9 28.6 23.1 125 130 A I H >< S+ 0 0 76 -4,-2.6 3,-1.0 1,-0.2 4,-0.5 0.927 115.2 49.9 -66.3 -42.7 10.9 28.4 19.8 126 131 A E H 3< S+ 0 0 130 -4,-3.2 -1,-0.2 1,-0.2 -2,-0.2 0.758 113.8 45.6 -65.4 -26.1 11.3 32.1 19.2 127 132 A N T 3< S+ 0 0 100 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.2 0.365 113.9 48.1-100.1 5.1 15.0 32.0 19.8 128 133 A N X + 0 0 21 -3,-1.0 3,-3.0 -4,-0.4 4,-0.3 0.314 61.4 118.5-130.3 12.3 15.7 28.9 17.6 129 134 A Q G > S+ 0 0 81 -4,-0.5 3,-1.3 1,-0.3 6,-0.3 0.851 79.1 59.6 -42.7 -41.7 13.9 29.3 14.2 130 135 A Q G 3 S+ 0 0 114 1,-0.2 -1,-0.3 4,-0.1 -2,-0.1 0.659 99.1 58.9 -61.9 -18.7 17.4 29.2 12.6 131 136 A N G < S+ 0 0 62 -3,-3.0 2,-0.3 4,-0.0 -1,-0.2 0.385 80.8 104.5 -99.8 0.5 17.9 25.7 14.0 132 137 A F S X S- 0 0 43 -3,-1.3 3,-1.9 -4,-0.3 4,-0.4 -0.631 75.3-124.2 -92.5 148.4 15.0 23.8 12.5 133 138 A S T >> S+ 0 0 25 1,-0.3 4,-1.0 -2,-0.3 3,-0.6 0.613 101.2 80.6 -65.2 -15.0 15.3 21.4 9.6 134 139 A Y H 3> S+ 0 0 33 1,-0.2 4,-2.3 2,-0.2 -1,-0.3 0.887 81.9 63.9 -61.2 -35.5 12.8 23.4 7.7 135 140 A N H <> S+ 0 0 37 -3,-1.9 4,-1.8 -6,-0.3 -1,-0.2 0.875 93.5 60.5 -58.3 -38.5 15.4 25.9 6.8 136 141 A I H <> S+ 0 0 11 -3,-0.6 4,-1.2 -4,-0.4 -1,-0.2 0.947 110.9 40.7 -53.5 -50.7 17.3 23.3 4.8 137 142 A L H >X S+ 0 0 1 -4,-1.0 4,-2.0 -3,-0.3 3,-0.8 0.946 110.5 56.0 -62.3 -52.6 14.3 22.8 2.5 138 143 A M H 3X S+ 0 0 40 -4,-2.3 4,-1.3 1,-0.2 -1,-0.2 0.783 105.3 58.4 -42.6 -34.8 13.6 26.5 2.4 139 144 A G H 3X S+ 0 0 31 -4,-1.8 4,-0.9 -5,-0.2 -1,-0.2 0.861 105.3 45.1 -68.4 -42.0 17.2 26.7 1.1 140 145 A F H < S+ 0 0 3 -4,-2.0 3,-0.6 1,-0.2 -2,-0.2 0.940 101.6 51.5 -62.1 -48.7 13.5 26.2 -3.0 142 147 A K H 3< S+ 0 0 91 -4,-1.3 4,-0.3 1,-0.2 -1,-0.2 0.862 107.1 55.2 -53.3 -40.4 15.0 29.6 -3.4 143 148 A Q H 3< S+ 0 0 153 -4,-0.9 -1,-0.2 2,-0.1 -2,-0.2 0.794 84.1 97.8 -70.4 -32.9 17.8 28.2 -5.7 144 149 A Q S << S- 0 0 63 -4,-1.3 2,-2.0 -3,-0.6 6,-0.1 -0.332 91.7-110.1 -53.0 134.6 15.3 26.6 -8.1 145 150 A N S S+ 0 0 176 4,-0.1 2,-0.3 5,-0.0 -1,-0.1 -0.551 78.8 113.8 -73.1 83.7 14.8 28.8 -11.1 146 151 A N > - 0 0 63 -2,-2.0 4,-1.4 -4,-0.3 5,-0.2 -0.932 62.3-146.5-160.5 134.3 11.3 29.8 -10.3 147 152 A S H > S+ 0 0 93 -2,-0.3 4,-2.4 2,-0.2 5,-0.1 0.934 103.1 41.3 -59.8 -51.5 9.2 32.8 -9.2 148 153 A Y H > S+ 0 0 155 2,-0.2 4,-2.9 1,-0.2 -1,-0.1 0.932 114.2 48.6 -67.7 -52.5 6.7 30.9 -7.0 149 154 A M H 4 S+ 0 0 46 1,-0.2 -1,-0.2 2,-0.2 -2,-0.2 0.859 116.5 45.0 -59.0 -38.4 9.1 28.5 -5.3 150 155 A K H >< S+ 0 0 116 -4,-1.4 3,-1.0 2,-0.2 4,-0.2 0.932 115.2 46.5 -70.9 -47.9 11.4 31.4 -4.4 151 156 A K H 3< S+ 0 0 172 -4,-2.4 3,-0.2 1,-0.2 -2,-0.2 0.850 123.8 33.0 -62.8 -37.8 8.6 33.7 -3.3 152 157 A N T 3X S+ 0 0 59 -4,-2.9 4,-2.7 1,-0.2 5,-0.3 0.070 79.0 126.9-108.0 24.4 6.9 31.0 -1.1 153 158 A A H <> S+ 0 0 1 -3,-1.0 4,-2.1 1,-0.3 5,-0.2 0.876 74.1 46.9 -57.6 -45.6 10.0 29.1 0.0 154 159 A E H > S+ 0 0 102 -4,-0.2 4,-2.0 -3,-0.2 -1,-0.3 0.872 114.2 47.8 -63.8 -39.2 9.3 29.2 3.7 155 160 A K H > S+ 0 0 151 -3,-0.3 4,-2.6 2,-0.2 -2,-0.2 0.926 111.7 47.9 -68.4 -43.6 5.7 28.2 3.3 156 161 A L H X S+ 0 0 24 -4,-2.7 4,-2.9 2,-0.2 5,-0.2 0.886 112.0 52.0 -63.6 -37.4 6.4 25.2 1.0 157 162 A A H X S+ 0 0 0 -4,-2.1 4,-2.3 -5,-0.3 -1,-0.2 0.968 112.8 44.0 -58.3 -52.3 9.1 24.1 3.4 158 163 A V H X S+ 0 0 61 -4,-2.0 4,-2.0 1,-0.2 -2,-0.2 0.867 115.4 48.9 -66.8 -34.4 6.7 24.2 6.3 159 164 A L H X S+ 0 0 74 -4,-2.6 4,-2.4 2,-0.2 5,-0.3 0.961 109.6 49.3 -70.3 -53.5 3.9 22.6 4.3 160 165 A F H X S+ 0 0 0 -4,-2.9 4,-1.5 1,-0.2 -2,-0.2 0.932 112.2 49.3 -54.1 -48.5 5.9 19.7 3.0 161 166 A C H X S+ 0 0 11 -4,-2.3 4,-2.2 -5,-0.2 -1,-0.2 0.921 111.4 49.8 -54.5 -44.5 7.3 18.9 6.5 162 167 A T H X S+ 0 0 69 -4,-2.0 4,-3.3 1,-0.2 -2,-0.2 0.892 107.3 52.3 -63.3 -44.4 3.7 19.0 8.0 163 168 A M H < S+ 0 0 52 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.820 115.1 45.1 -57.7 -36.0 2.3 16.7 5.3 164 169 A L H < S+ 0 0 2 -4,-1.5 -2,-0.2 -5,-0.3 -1,-0.2 0.866 124.1 31.5 -74.2 -41.0 5.1 14.3 6.2 165 170 A K H X S+ 0 0 51 -4,-2.2 4,-1.8 -5,-0.1 5,-0.2 0.768 96.1 105.8 -98.9 -30.0 4.8 14.6 10.0 166 171 A E T < S+ 0 0 59 -4,-3.3 0, 0.0 1,-0.3 0, 0.0 -0.803 77.6 8.3-107.0 150.7 1.1 15.2 10.9 167 172 A P T > S+ 0 0 69 0, 0.0 4,-2.1 0, 0.0 -1,-0.3 -0.956 119.8 65.7 -95.4 13.8 -1.2 13.9 12.1 168 173 A Y H > S+ 0 0 92 2,-0.2 4,-3.0 1,-0.2 -2,-0.2 0.871 101.0 46.4 -61.9 -46.2 0.9 10.9 13.0 169 174 A H H X S+ 0 0 19 -4,-1.8 4,-2.4 2,-0.2 -1,-0.2 0.945 111.8 53.0 -66.2 -49.8 3.2 12.5 15.5 170 175 A H H > S+ 0 0 83 2,-0.2 4,-2.6 1,-0.2 5,-0.3 0.906 113.1 43.2 -46.8 -51.7 0.3 14.2 17.3 171 176 A L H X S+ 0 0 71 -4,-2.1 4,-1.7 1,-0.2 6,-1.6 0.899 111.5 55.5 -69.8 -35.6 -1.5 10.8 17.6 172 177 A N H X S+ 0 0 6 -4,-3.0 4,-0.7 4,-0.2 -2,-0.2 0.915 114.0 41.3 -53.7 -42.8 1.8 9.2 18.6 173 178 A V H < S+ 0 0 3 -4,-2.4 -2,-0.2 2,-0.1 -3,-0.2 0.947 120.1 38.0 -77.9 -51.5 2.1 11.8 21.5 174 179 A L H < S+ 0 0 99 -4,-2.6 -3,-0.2 1,-0.2 -2,-0.2 0.837 133.6 13.6 -67.2 -47.2 -1.5 12.0 22.8 175 180 A I H < S- 0 0 117 -4,-1.7 -1,-0.2 -5,-0.3 -3,-0.2 0.330 98.9-111.5-122.2 8.8 -2.8 8.4 22.6 176 181 A N < - 0 0 120 -4,-0.7 -4,-0.2 -5,-0.5 -3,-0.1 0.771 47.4-178.8 68.9 23.0 0.3 6.4 22.1 177 182 A A - 0 0 29 -6,-1.6 -1,-0.1 1,-0.1 -2,-0.0 -0.192 36.1 -89.0 -47.2 150.1 -0.6 5.3 18.5 178 183 A P - 0 0 120 0, 0.0 -1,-0.1 0, 0.0 2,-0.1 -0.250 38.3-118.4 -66.3 150.5 1.9 3.0 16.9 179 184 A L - 0 0 60 -3,-0.1 2,-0.4 1,-0.1 -80,-0.1 -0.310 33.2 -98.6 -74.7 164.4 4.9 4.3 14.9 180 185 A K - 0 0 37 -2,-0.1 2,-0.1 4,-0.0 -1,-0.1 -0.742 29.9-134.9 -81.6 134.1 5.5 3.5 11.2 181 186 A N >> - 0 0 87 -2,-0.4 4,-2.1 1,-0.1 3,-0.6 -0.423 41.1 -90.4 -71.0 167.6 7.9 0.6 10.3 182 187 A K H 3> S+ 0 0 118 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.760 125.4 54.2 -56.8 -32.2 10.3 1.5 7.5 183 188 A K H 3> S+ 0 0 129 2,-0.2 4,-3.0 1,-0.2 -1,-0.2 0.910 110.7 47.1 -68.6 -41.9 8.1 0.3 4.6 184 189 A E H <> S+ 0 0 83 -3,-0.6 4,-2.6 2,-0.2 -2,-0.2 0.861 110.4 53.6 -65.0 -40.2 5.3 2.5 5.8 185 190 A Q H X S+ 0 0 10 -4,-2.1 4,-1.9 2,-0.2 -2,-0.2 0.956 113.1 41.9 -54.8 -56.4 7.8 5.4 6.2 186 191 A K H X S+ 0 0 96 -4,-2.4 4,-2.3 2,-0.2 3,-0.5 0.957 114.0 52.5 -57.6 -54.3 8.9 5.0 2.6 187 192 A E H X S+ 0 0 108 -4,-3.0 4,-2.1 1,-0.3 -1,-0.2 0.894 111.5 46.3 -48.0 -52.3 5.4 4.5 1.3 188 193 A H H X S+ 0 0 20 -4,-2.6 4,-2.1 1,-0.2 -1,-0.3 0.767 109.3 54.4 -66.6 -33.8 4.1 7.6 3.0 189 194 A V H X S+ 0 0 1 -4,-1.9 4,-2.9 -3,-0.5 5,-0.3 0.953 110.4 44.8 -62.6 -51.8 7.1 9.7 1.7 190 195 A E H X S+ 0 0 97 -4,-2.3 4,-2.2 2,-0.2 -2,-0.2 0.925 113.3 53.6 -60.8 -37.8 6.5 8.8 -2.0 191 196 A F H X S+ 0 0 139 -4,-2.1 4,-1.9 -5,-0.3 3,-0.3 0.979 113.1 40.3 -56.4 -59.9 2.8 9.4 -1.5 192 197 A V H X S+ 0 0 6 -4,-2.1 4,-2.1 1,-0.2 -2,-0.2 0.872 113.8 53.9 -57.6 -46.2 3.3 12.9 -0.0 193 198 A V H X S+ 0 0 3 -4,-2.9 4,-2.0 2,-0.2 5,-0.3 0.848 108.1 51.5 -59.8 -36.4 6.1 13.8 -2.6 194 199 A N H X>S+ 0 0 68 -4,-2.2 4,-3.2 -5,-0.3 5,-1.0 0.954 112.9 42.3 -66.1 -51.2 3.8 12.9 -5.4 195 200 A V H <5S+ 0 0 47 -4,-1.9 -2,-0.2 3,-0.3 -1,-0.2 0.805 114.3 54.2 -59.2 -36.3 0.8 15.1 -4.3 196 201 A F H <5S+ 0 0 38 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.911 120.6 28.5 -70.9 -42.1 3.2 17.9 -3.4 197 202 A L H <5S+ 0 0 59 -4,-2.0 -2,-0.2 -5,-0.2 -3,-0.2 0.901 142.0 12.2 -84.2 -42.4 4.8 18.0 -6.9 198 203 A N T <5S- 0 0 108 -4,-3.2 3,-0.4 -5,-0.3 -3,-0.3 0.613 90.3-147.3-117.9 -20.9 2.0 16.8 -9.1 199 204 A G > < - 0 0 22 -5,-1.0 3,-1.1 1,-0.2 -3,-0.1 0.108 42.2 -58.5 73.7 173.4 -1.3 16.8 -7.1 200 205 A I T 3 S+ 0 0 149 1,-0.3 -1,-0.2 -5,-0.1 -5,-0.1 0.335 117.7 79.7 -81.9 9.2 -4.3 14.5 -7.3 201 206 A N T 3 0 0 171 -3,-0.4 -1,-0.3 -6,-0.1 -2,-0.1 0.214 360.0 360.0 -94.9 13.6 -5.1 15.3 -10.9 202 207 A S < 0 0 106 -3,-1.1 -3,-0.0 -8,-0.0 -4,-0.0 -0.814 360.0 360.0 -87.2 360.0 -2.3 12.8 -11.9