==== 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 TRANSCRIPTION 18-DEC-07 2VKE . COMPND 2 MOLECULE: TETRACYCLINE REPRESSOR PROTEIN CLASS D; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR G.J.PALM,W.HINRICHS . 200 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12880.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 143 71.5 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 . 16 8.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 121 60.5 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 1 0 1 0 0 1 0 1 1 1 0 0 0 1 0 0 0 0 0 0 1 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 0 104 0, 0.0 2,-0.1 0, 0.0 32,-0.1 0.000 360.0 360.0 360.0-165.5 12.0 20.6 5.8 2 3 A R - 0 0 159 1,-0.1 0, 0.0 5,-0.1 0, 0.0 -0.377 360.0-167.1 -65.3 137.6 9.6 22.2 8.4 3 4 A L + 0 0 24 4,-0.1 -1,-0.1 -2,-0.1 2,-0.0 0.002 37.8 127.5-121.6 28.7 10.3 25.9 9.1 4 5 A N S > S- 0 0 45 1,-0.1 4,-2.6 4,-0.0 5,-0.3 -0.319 78.1 -97.0 -70.2 165.2 8.3 26.8 12.2 5 6 A R H > S+ 0 0 177 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.916 123.1 53.8 -48.7 -46.4 10.2 28.4 15.0 6 7 A E H > S+ 0 0 132 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.923 111.8 43.3 -62.8 -44.0 10.6 25.0 16.9 7 8 A S H > S+ 0 0 29 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.846 111.3 52.5 -71.7 -40.8 12.2 23.3 13.9 8 9 A V H X S+ 0 0 9 -4,-2.6 4,-2.3 2,-0.2 -1,-0.2 0.900 112.6 47.3 -60.3 -38.7 14.5 26.1 12.8 9 10 A I H X S+ 0 0 10 -4,-2.5 4,-3.0 -5,-0.3 -2,-0.2 0.947 110.0 51.7 -65.9 -45.9 15.8 26.2 16.4 10 11 A D H X S+ 0 0 63 -4,-2.7 4,-2.2 1,-0.2 -2,-0.2 0.919 112.6 47.5 -50.6 -49.8 16.2 22.4 16.5 11 12 A A H X S+ 0 0 8 -4,-2.4 4,-2.7 2,-0.2 -1,-0.2 0.895 111.6 48.2 -61.7 -47.8 18.2 22.6 13.2 12 13 A A H X S+ 0 0 0 -4,-2.3 4,-3.2 2,-0.2 -1,-0.2 0.884 110.4 52.5 -62.2 -41.6 20.4 25.5 14.5 13 14 A L H X S+ 0 0 4 -4,-3.0 4,-2.3 2,-0.2 -2,-0.2 0.931 111.1 47.3 -57.6 -44.5 21.1 23.6 17.7 14 15 A E H X S+ 0 0 105 -4,-2.2 4,-2.1 -5,-0.2 -2,-0.2 0.954 114.3 47.4 -60.5 -46.5 22.2 20.6 15.6 15 16 A L H X S+ 0 0 6 -4,-2.7 4,-3.1 1,-0.2 5,-0.5 0.916 111.2 50.4 -63.8 -44.2 24.3 22.8 13.5 16 17 A L H X S+ 0 0 0 -4,-3.2 4,-2.7 1,-0.2 -1,-0.2 0.917 110.9 49.2 -57.3 -46.3 25.9 24.6 16.5 17 18 A N H < S+ 0 0 81 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.822 117.6 41.2 -65.7 -31.8 26.7 21.3 18.1 18 19 A E H < S+ 0 0 102 -4,-2.1 -2,-0.2 -5,-0.2 -1,-0.2 0.883 134.1 16.3 -78.5 -45.7 28.3 20.0 14.8 19 20 A T H < S- 0 0 40 -4,-3.1 3,-0.3 1,-0.2 4,-0.3 0.531 97.7-133.3-113.8 -11.3 30.2 23.1 13.7 20 21 A G >X - 0 0 0 -4,-2.7 3,-1.6 -5,-0.5 4,-0.5 -0.142 52.3 -46.5 75.8-177.2 30.3 25.4 16.7 21 22 A I G >4 S+ 0 0 24 1,-0.3 3,-0.6 2,-0.2 -1,-0.2 0.795 136.9 55.9 -65.9 -30.1 29.5 29.1 16.9 22 23 A D G 34 S+ 0 0 136 -3,-0.3 -1,-0.3 1,-0.2 -2,-0.2 0.672 106.6 50.2 -68.4 -20.6 31.6 29.8 13.7 23 24 A G G <4 S+ 0 0 1 -3,-1.6 2,-2.2 -4,-0.3 -1,-0.2 0.444 80.9 100.7 -98.8 -1.6 29.7 27.3 11.6 24 25 A L << + 0 0 0 -3,-0.6 2,-0.3 -4,-0.5 -1,-0.1 -0.499 53.4 147.8 -82.8 69.1 26.4 28.7 12.7 25 26 A T > - 0 0 49 -2,-2.2 4,-2.2 1,-0.1 5,-0.2 -0.728 59.5-127.1-103.4 151.8 26.0 30.7 9.5 26 27 A T H > S+ 0 0 50 -2,-0.3 4,-2.5 1,-0.2 5,-0.2 0.909 113.5 55.6 -65.1 -35.8 22.6 31.4 7.9 27 28 A R H > S+ 0 0 154 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.891 110.7 41.7 -59.4 -45.4 24.1 29.8 4.7 28 29 A K H > S+ 0 0 82 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.815 113.2 54.6 -75.3 -30.0 25.0 26.5 6.4 29 30 A L H X S+ 0 0 0 -4,-2.2 4,-2.2 2,-0.2 -2,-0.2 0.916 105.8 52.2 -63.9 -44.3 21.7 26.6 8.3 30 31 A A H X>S+ 0 0 2 -4,-2.5 5,-2.4 2,-0.2 4,-0.8 0.926 109.1 50.6 -57.4 -43.0 19.9 26.9 4.9 31 32 A Q H ><5S+ 0 0 145 -4,-1.7 3,-1.1 1,-0.2 -2,-0.2 0.948 109.6 50.8 -59.8 -49.4 21.8 23.8 3.7 32 33 A K H 3<5S+ 0 0 57 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.853 111.2 47.3 -50.6 -46.8 20.9 21.9 6.8 33 34 A L H 3<5S- 0 0 6 -4,-2.2 -1,-0.2 2,-0.1 -2,-0.2 0.527 112.0-118.8 -79.2 -9.3 17.2 22.7 6.3 34 35 A G T <<5S+ 0 0 65 -3,-1.1 2,-0.3 -4,-0.8 -3,-0.2 0.839 73.5 116.1 76.0 34.6 17.2 21.8 2.6 35 36 A I < - 0 0 34 -5,-2.4 -1,-0.3 -6,-0.1 -2,-0.1 -0.875 67.7-101.8-133.8 164.0 16.2 25.3 1.5 36 37 A E > - 0 0 144 -2,-0.3 4,-1.7 -3,-0.1 3,-0.3 -0.443 39.7-110.1 -79.8 157.1 17.4 28.4 -0.4 37 38 A Q H > S+ 0 0 85 1,-0.2 4,-2.3 2,-0.2 5,-0.1 0.848 115.9 55.1 -57.9 -40.8 18.8 31.4 1.4 38 39 A P H > S+ 0 0 104 0, 0.0 4,-1.3 0, 0.0 -1,-0.2 0.849 107.3 53.4 -60.6 -34.0 15.8 33.8 0.6 39 40 A T H > S+ 0 0 60 -3,-0.3 4,-0.7 1,-0.2 3,-0.3 0.929 110.0 46.1 -64.7 -45.4 13.5 31.1 2.1 40 41 A L H >X S+ 0 0 3 -4,-1.7 4,-2.8 1,-0.2 3,-1.4 0.923 105.9 61.0 -61.3 -40.8 15.5 31.0 5.3 41 42 A Y H 3< S+ 0 0 142 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.808 94.1 62.0 -61.3 -34.0 15.6 34.8 5.5 42 43 A W H 3< S+ 0 0 193 -4,-1.3 -1,-0.3 -3,-0.3 -2,-0.2 0.856 118.4 29.2 -51.3 -41.5 11.8 35.0 5.7 43 44 A H H << S+ 0 0 73 -3,-1.4 2,-0.4 -4,-0.7 -2,-0.2 0.773 130.2 31.6 -93.9 -35.5 12.0 33.1 9.0 44 45 A V < - 0 0 13 -4,-2.8 -1,-0.3 1,-0.1 3,-0.1 -0.962 59.8-166.8-133.5 115.5 15.5 34.2 10.4 45 46 A K - 0 0 98 -2,-0.4 2,-0.3 1,-0.1 -1,-0.1 0.809 64.7 -26.5 -76.4 -32.4 16.9 37.6 9.7 46 47 A N > - 0 0 76 1,-0.1 4,-1.3 -21,-0.0 3,-0.2 -0.975 68.4 -83.5-168.3 176.5 20.5 37.1 10.8 47 48 A K H > S+ 0 0 70 -2,-0.3 4,-2.7 1,-0.2 5,-0.1 0.834 119.4 59.2 -66.0 -35.4 23.0 35.2 13.0 48 49 A R H > S+ 0 0 157 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.898 104.2 50.6 -64.2 -41.1 22.3 37.5 16.0 49 50 A A H > S+ 0 0 44 -3,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.858 112.4 48.1 -61.0 -37.9 18.6 36.6 16.0 50 51 A L H X S+ 0 0 5 -4,-1.3 4,-2.8 2,-0.2 -2,-0.2 0.948 109.4 51.7 -69.5 -45.7 19.5 33.0 15.9 51 52 A L H X S+ 0 0 16 -4,-2.7 4,-2.5 1,-0.2 -2,-0.2 0.912 110.7 48.6 -57.2 -45.8 22.1 33.3 18.8 52 53 A D H X S+ 0 0 72 -4,-2.2 4,-1.3 1,-0.2 -1,-0.2 0.882 112.8 47.2 -61.6 -41.8 19.5 35.1 21.1 53 54 A A H X S+ 0 0 19 -4,-1.6 4,-2.5 2,-0.2 -2,-0.2 0.892 111.6 51.2 -69.7 -40.9 16.9 32.4 20.4 54 55 A L H X S+ 0 0 0 -4,-2.8 4,-2.8 1,-0.2 -2,-0.2 0.904 104.6 56.6 -63.1 -45.4 19.4 29.6 20.9 55 56 A A H X S+ 0 0 5 -4,-2.5 4,-1.0 43,-0.2 -1,-0.2 0.897 112.1 43.2 -48.1 -43.6 20.5 31.1 24.3 56 57 A V H X S+ 0 0 31 -4,-1.3 4,-2.0 1,-0.2 -2,-0.2 0.901 114.7 48.6 -72.6 -43.7 16.8 30.9 25.4 57 58 A E H X S+ 0 0 50 -4,-2.5 4,-2.6 1,-0.2 5,-0.2 0.839 102.1 61.7 -67.2 -37.2 16.2 27.4 24.0 58 59 A I H X S+ 0 0 3 -4,-2.8 4,-1.8 1,-0.2 -1,-0.2 0.905 112.0 38.7 -55.6 -43.8 19.3 25.9 25.6 59 60 A L H X S+ 0 0 20 -4,-1.0 4,-1.8 2,-0.2 -1,-0.2 0.838 112.0 57.2 -75.9 -38.1 18.0 26.8 29.1 60 61 A A H < S+ 0 0 76 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.931 115.6 38.5 -56.0 -43.0 14.4 25.9 28.2 61 62 A R H < S+ 0 0 93 -4,-2.6 -2,-0.2 -5,-0.1 -1,-0.2 0.867 136.0 8.5 -75.1 -41.2 15.6 22.4 27.2 62 63 A H H < S+ 0 0 69 -4,-1.8 2,-1.1 -5,-0.2 -3,-0.2 0.373 95.5 96.5-135.3 -0.6 18.3 21.4 29.7 63 64 A H < + 0 0 21 -4,-1.8 3,-0.2 -5,-0.2 22,-0.1 -0.777 45.2 162.8 -93.8 88.7 18.3 24.1 32.6 64 65 A D + 0 0 119 -2,-1.1 2,-0.5 1,-0.2 3,-0.2 0.520 54.6 62.5 -94.6 -4.1 16.1 22.2 35.1 65 66 A Y + 0 0 61 16,-0.2 -1,-0.2 15,-0.2 19,-0.2 -0.683 58.5 135.8-120.3 74.9 16.7 23.8 38.5 66 67 A S + 0 0 33 -2,-0.5 -1,-0.1 -3,-0.2 49,-0.1 0.638 61.9 44.5 -92.9 -21.8 15.5 27.3 37.8 67 68 A L S S- 0 0 82 -3,-0.2 -1,-0.1 47,-0.0 45,-0.0 -0.966 85.3-106.5-134.5 141.7 13.4 27.9 40.9 68 69 A P - 0 0 31 0, 0.0 2,-0.2 0, 0.0 3,-0.1 -0.223 37.5-116.2 -65.9 158.2 14.0 27.3 44.7 69 70 A A > - 0 0 54 1,-0.2 3,-2.6 4,-0.1 8,-0.1 -0.475 48.3 -68.4 -89.7 166.6 12.2 24.4 46.4 70 71 A A T 3 S- 0 0 110 1,-0.3 -1,-0.2 -2,-0.2 0, 0.0 -0.351 123.9 -4.5 -49.4 121.0 9.6 24.9 49.2 71 72 A G T 3 S+ 0 0 88 1,-0.2 -1,-0.3 -3,-0.1 2,-0.1 0.513 94.4 157.2 68.4 7.0 11.7 26.1 52.2 72 73 A E < - 0 0 24 -3,-2.6 -1,-0.2 1,-0.1 2,-0.0 -0.383 43.9-115.9 -63.9 138.1 15.0 25.8 50.3 73 74 A S > - 0 0 55 1,-0.1 4,-2.7 -2,-0.1 5,-0.2 -0.325 18.8-119.1 -66.6 152.7 17.9 28.0 51.6 74 75 A W H > S+ 0 0 13 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.910 116.5 55.0 -61.7 -34.9 19.3 30.7 49.4 75 76 A Q H > S+ 0 0 37 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.942 110.0 44.2 -59.6 -48.6 22.7 28.9 49.6 76 77 A S H > S+ 0 0 31 2,-0.2 4,-2.9 1,-0.2 5,-0.2 0.904 111.9 53.0 -65.3 -42.8 21.2 25.6 48.4 77 78 A F H X S+ 0 0 2 -4,-2.7 4,-3.7 2,-0.2 5,-0.2 0.968 110.4 47.4 -56.5 -51.9 19.2 27.4 45.6 78 79 A L H X S+ 0 0 2 -4,-2.5 4,-2.4 1,-0.2 -2,-0.2 0.871 113.7 47.9 -55.6 -42.5 22.4 29.1 44.3 79 80 A R H X S+ 0 0 74 -4,-2.1 4,-2.2 2,-0.2 -1,-0.2 0.945 116.8 42.2 -62.4 -51.3 24.3 25.8 44.4 80 81 A N H X S+ 0 0 42 -4,-2.9 4,-2.2 1,-0.2 -2,-0.2 0.897 114.9 50.5 -64.3 -44.3 21.5 23.9 42.6 81 82 A N H X S+ 0 0 18 -4,-3.7 4,-2.4 -5,-0.2 -1,-0.2 0.879 111.4 48.6 -57.2 -44.7 20.9 26.7 40.1 82 83 A A H X S+ 0 0 0 -4,-2.4 4,-2.7 -5,-0.2 -2,-0.2 0.891 110.4 49.7 -68.6 -42.5 24.6 26.9 39.2 83 84 A M H X S+ 0 0 50 -4,-2.2 4,-2.3 1,-0.2 -1,-0.2 0.910 114.4 46.7 -61.2 -43.4 25.1 23.2 38.8 84 85 A S H X S+ 0 0 0 -4,-2.2 4,-2.4 2,-0.2 -2,-0.2 0.896 111.4 49.3 -62.2 -47.1 22.0 23.2 36.5 85 86 A F H X S+ 0 0 11 -4,-2.4 4,-2.5 1,-0.2 -2,-0.2 0.941 112.1 50.9 -61.0 -42.2 23.1 26.3 34.5 86 87 A R H X S+ 0 0 17 -4,-2.7 4,-1.9 1,-0.2 -2,-0.2 0.909 109.4 48.5 -58.6 -48.8 26.5 24.6 34.1 87 88 A R H X S+ 0 0 99 -4,-2.3 4,-0.9 1,-0.2 -1,-0.2 0.892 112.4 50.5 -57.6 -46.4 24.9 21.2 32.8 88 89 A A H < S+ 0 0 0 -4,-2.4 3,-0.5 1,-0.2 4,-0.5 0.897 111.0 47.5 -62.3 -44.4 22.8 23.2 30.4 89 90 A L H >< S+ 0 0 2 -4,-2.5 3,-0.5 1,-0.2 6,-0.5 0.823 111.3 50.9 -63.6 -36.9 25.8 25.2 29.0 90 91 A L H 3< S+ 0 0 49 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.2 0.650 90.8 80.7 -78.5 -14.4 27.9 22.1 28.6 91 92 A R T 3< S+ 0 0 98 -4,-0.9 2,-0.4 -3,-0.5 -1,-0.2 0.800 97.0 39.2 -63.6 -33.8 25.0 20.3 26.6 92 93 A Y S X S- 0 0 24 -3,-0.5 3,-1.9 -4,-0.5 4,-0.3 -0.927 96.0 -99.0-122.0 144.9 25.9 22.0 23.3 93 94 A R T 3 S+ 0 0 116 -2,-0.4 -73,-0.1 1,-0.3 -74,-0.1 -0.367 110.9 2.1 -54.0 136.2 29.2 22.9 21.7 94 95 A D T 3> S+ 0 0 13 1,-0.1 4,-2.2 -74,-0.1 -1,-0.3 0.652 86.6 143.2 49.9 26.4 29.9 26.6 22.4 95 96 A G H <> S+ 0 0 1 -3,-1.9 4,-1.9 -6,-0.5 -5,-0.1 0.875 70.7 51.2 -60.7 -35.3 26.7 26.9 24.5 96 97 A A H > S+ 0 0 0 -7,-0.4 4,-1.6 -4,-0.3 -1,-0.2 0.912 108.7 50.3 -68.0 -39.6 28.4 29.3 26.9 97 98 A K H 4 S+ 0 0 75 1,-0.2 -2,-0.2 2,-0.2 -1,-0.2 0.884 107.8 55.1 -61.7 -41.0 29.6 31.5 24.1 98 99 A V H < S+ 0 0 5 -4,-2.2 -43,-0.2 1,-0.2 -1,-0.2 0.916 108.2 48.3 -58.5 -44.7 26.0 31.5 22.8 99 100 A H H >< S+ 0 0 38 -4,-1.9 3,-2.3 -5,-0.2 -1,-0.2 0.841 84.7 119.5 -63.7 -34.0 24.7 32.8 26.2 100 101 A L T 3< S- 0 0 87 -4,-1.6 3,-0.1 1,-0.3 -45,-0.1 -0.026 84.7 -0.4 -49.2 131.5 27.3 35.6 26.5 101 102 A G T 3 S+ 0 0 81 1,-0.2 -1,-0.3 0, 0.0 -2,-0.1 0.478 95.6 137.0 73.2 0.7 25.9 39.2 26.7 102 103 A T < - 0 0 31 -3,-2.3 -1,-0.2 -51,-0.1 -3,-0.0 -0.309 42.3-147.1 -69.6 160.9 22.2 38.0 26.5 103 104 A R - 0 0 216 -3,-0.1 -1,-0.0 1,-0.0 -3,-0.0 -0.908 39.4 -71.1-120.2 159.6 19.6 39.5 28.7 104 105 A P - 0 0 66 0, 0.0 2,-0.2 0, 0.0 5,-0.1 -0.175 50.7-132.4 -46.6 130.9 16.6 37.8 30.1 105 106 A D > - 0 0 54 1,-0.1 3,-2.2 -53,-0.1 4,-0.5 -0.586 23.3-108.9 -79.7 150.3 14.0 37.0 27.5 106 107 A E G > S+ 0 0 145 1,-0.3 3,-1.3 -2,-0.2 4,-0.4 0.849 121.4 60.4 -43.2 -39.5 10.3 37.9 28.1 107 108 A K G 3 S+ 0 0 175 1,-0.3 -1,-0.3 2,-0.1 4,-0.2 0.747 107.2 46.0 -66.7 -20.2 9.7 34.1 28.3 108 109 A Q G <> S+ 0 0 38 -3,-2.2 4,-2.7 1,-0.1 5,-0.3 0.440 85.2 99.3 -97.5 -2.3 12.1 34.0 31.3 109 110 A Y H <> S+ 0 0 135 -3,-1.3 4,-2.5 -4,-0.5 5,-0.2 0.886 81.4 46.1 -54.5 -50.3 10.6 37.1 33.1 110 111 A D H > S+ 0 0 139 -4,-0.4 4,-1.8 1,-0.2 -1,-0.2 0.890 116.0 47.9 -64.8 -40.5 8.5 35.3 35.7 111 112 A T H > S+ 0 0 42 -4,-0.2 4,-2.1 2,-0.2 -2,-0.2 0.951 114.8 41.6 -61.6 -54.0 11.3 32.9 36.6 112 113 A V H X S+ 0 0 36 -4,-2.7 4,-2.3 1,-0.2 -2,-0.2 0.824 112.2 56.1 -70.8 -31.4 14.1 35.4 36.9 113 114 A E H X S+ 0 0 124 -4,-2.5 4,-2.7 -5,-0.3 -1,-0.2 0.894 108.0 49.6 -57.6 -46.1 11.8 37.8 38.8 114 115 A T H X S+ 0 0 67 -4,-1.8 4,-2.7 -5,-0.2 -2,-0.2 0.884 108.7 52.4 -60.7 -43.0 11.2 35.0 41.2 115 116 A Q H X S+ 0 0 19 -4,-2.1 4,-1.7 2,-0.2 -2,-0.2 0.909 112.9 44.5 -56.7 -47.5 14.9 34.4 41.6 116 117 A L H X S+ 0 0 43 -4,-2.3 4,-1.9 2,-0.2 -2,-0.2 0.935 113.8 48.3 -67.5 -46.9 15.5 38.1 42.4 117 118 A R H X S+ 0 0 166 -4,-2.7 4,-2.0 1,-0.2 -2,-0.2 0.909 108.4 56.8 -57.8 -43.7 12.5 38.3 44.8 118 119 A F H X S+ 0 0 19 -4,-2.7 4,-1.0 2,-0.2 -1,-0.2 0.906 105.0 50.2 -51.8 -47.7 13.7 35.1 46.6 119 120 A M H ><>S+ 0 0 0 -4,-1.7 5,-1.8 1,-0.2 3,-0.8 0.932 111.6 48.6 -59.4 -45.4 17.2 36.7 47.3 120 121 A T H ><5S+ 0 0 53 -4,-1.9 3,-1.3 1,-0.2 -1,-0.2 0.832 106.4 56.8 -64.7 -28.2 15.5 39.8 48.8 121 122 A E H 3<5S+ 0 0 118 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.693 103.7 55.5 -76.9 -16.9 13.2 37.6 50.9 122 123 A N T <<5S- 0 0 59 -4,-1.0 -1,-0.3 -3,-0.8 -2,-0.2 0.173 132.3 -88.1 -97.5 9.9 16.3 36.0 52.4 123 124 A G T < 5S+ 0 0 54 -3,-1.3 2,-0.3 1,-0.3 -3,-0.2 0.305 85.8 126.0 109.6 -10.4 17.8 39.4 53.5 124 125 A F < - 0 0 12 -5,-1.8 -1,-0.3 1,-0.1 -2,-0.1 -0.569 60.1-124.0 -77.9 139.2 19.7 40.6 50.5 125 126 A S > - 0 0 60 -2,-0.3 4,-3.0 1,-0.1 5,-0.3 -0.408 36.3-103.3 -63.4 161.7 19.0 44.1 49.1 126 127 A L H > S+ 0 0 93 1,-0.2 4,-3.0 2,-0.2 5,-0.2 0.945 124.4 50.7 -50.1 -47.7 18.1 43.8 45.4 127 128 A R H > S+ 0 0 156 2,-0.2 4,-2.9 1,-0.2 -1,-0.2 0.919 112.9 43.6 -58.3 -49.4 21.6 45.1 44.5 128 129 A D H > S+ 0 0 69 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.882 114.4 50.5 -67.3 -37.1 23.4 42.6 46.8 129 130 A G H X S+ 0 0 0 -4,-3.0 4,-2.7 2,-0.2 -2,-0.2 0.928 112.2 47.4 -63.0 -46.6 21.1 39.8 45.5 130 131 A L H X S+ 0 0 71 -4,-3.0 4,-3.3 -5,-0.3 5,-0.3 0.947 109.4 53.5 -59.0 -48.1 21.9 40.8 42.0 131 132 A Y H X S+ 0 0 128 -4,-2.9 4,-2.3 1,-0.2 -2,-0.2 0.894 112.4 45.4 -55.0 -44.3 25.6 41.0 42.7 132 133 A A H X S+ 0 0 3 -4,-2.3 4,-2.3 2,-0.2 -1,-0.2 0.931 114.4 47.3 -62.9 -50.2 25.5 37.4 44.1 133 134 A I H X S+ 0 0 22 -4,-2.7 4,-2.1 1,-0.2 -2,-0.2 0.883 114.3 47.0 -57.7 -46.9 23.4 36.1 41.2 134 135 A S H X S+ 0 0 35 -4,-3.3 4,-3.3 2,-0.2 5,-0.3 0.891 109.8 53.4 -62.9 -40.7 25.7 37.8 38.6 135 136 A A H X S+ 0 0 31 -4,-2.3 4,-2.8 -5,-0.3 5,-0.2 0.933 110.8 46.4 -64.5 -43.7 28.8 36.5 40.3 136 137 A V H X S+ 0 0 3 -4,-2.3 4,-2.4 2,-0.2 -1,-0.2 0.926 115.0 47.0 -60.5 -44.8 27.5 32.9 40.2 137 138 A S H X S+ 0 0 32 -4,-2.1 4,-2.8 2,-0.2 -2,-0.2 0.936 115.1 46.0 -61.3 -49.5 26.5 33.3 36.5 138 139 A H H X S+ 0 0 128 -4,-3.3 4,-2.8 2,-0.2 -2,-0.2 0.900 113.0 48.7 -64.7 -43.6 29.9 34.9 35.6 139 140 A F H X S+ 0 0 66 -4,-2.8 4,-2.5 -5,-0.3 -1,-0.2 0.946 114.1 46.0 -61.0 -49.1 31.9 32.3 37.4 140 141 A T H X S+ 0 0 0 -4,-2.4 4,-2.5 -5,-0.2 5,-0.2 0.936 113.8 48.8 -56.1 -55.3 30.0 29.4 35.8 141 142 A L H X S+ 0 0 12 -4,-2.8 4,-3.0 -5,-0.2 -2,-0.2 0.926 113.0 49.0 -52.7 -47.6 30.2 31.0 32.3 142 143 A G H X S+ 0 0 33 -4,-2.8 4,-2.6 2,-0.2 -2,-0.2 0.940 112.5 45.5 -54.6 -54.5 33.9 31.5 32.8 143 144 A A H X S+ 0 0 33 -4,-2.5 4,-2.4 2,-0.2 -2,-0.2 0.924 117.0 44.6 -58.3 -48.6 34.7 28.0 33.9 144 145 A V H X S+ 0 0 0 -4,-2.5 4,-3.0 2,-0.2 5,-0.2 0.924 112.1 52.9 -60.3 -48.4 32.5 26.4 31.1 145 146 A L H X S+ 0 0 36 -4,-3.0 4,-2.7 -5,-0.2 5,-0.3 0.918 111.6 45.7 -55.5 -49.7 34.0 28.8 28.5 146 147 A E H X S+ 0 0 161 -4,-2.6 4,-1.9 1,-0.2 -1,-0.2 0.919 114.6 48.3 -63.0 -41.5 37.6 27.8 29.5 147 148 A Q H X S+ 0 0 45 -4,-2.4 4,-1.7 -5,-0.2 -2,-0.2 0.926 116.4 42.2 -63.6 -47.1 36.7 24.1 29.5 148 149 A Q H X S+ 0 0 27 -4,-3.0 4,-1.9 2,-0.2 -2,-0.2 0.912 115.0 47.1 -68.9 -45.4 35.0 24.1 26.1 149 150 A E H X S+ 0 0 62 -4,-2.7 4,-3.0 -5,-0.2 -1,-0.2 0.829 109.0 56.3 -68.3 -32.1 37.5 26.3 24.3 150 151 A H H X S+ 0 0 81 -4,-1.9 4,-1.8 -5,-0.3 -1,-0.2 0.919 105.5 50.3 -63.8 -44.9 40.4 24.3 25.6 151 152 A T H < S+ 0 0 98 -4,-1.7 -2,-0.2 1,-0.2 -1,-0.2 0.910 113.2 48.2 -56.0 -42.2 38.8 21.1 24.2 152 153 A A H < S+ 0 0 45 -4,-1.9 -2,-0.2 1,-0.2 -1,-0.2 0.917 105.2 57.8 -60.1 -52.1 38.5 23.1 20.9 153 154 A A H < S+ 0 0 63 -4,-3.0 2,-2.7 1,-0.2 -1,-0.2 0.849 78.6 95.5 -43.0 -46.4 42.2 24.3 21.1 154 155 A L < 0 0 127 -4,-1.8 -1,-0.2 -5,-0.1 -4,-0.0 -0.248 360.0 360.0 -55.7 74.2 43.4 20.6 21.2 155 156 A T 0 0 173 -2,-2.7 -2,-0.1 0, 0.0 -3,-0.0 -0.903 360.0 360.0 175.5 360.0 43.9 20.7 17.4 156 ! 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 0.0 157 164 A E 0 0 206 0, 0.0 7,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -51.2 59.0 18.8 29.7 158 165 A N + 0 0 155 2,-0.1 0, 0.0 0, 0.0 0, 0.0 0.202 360.0 126.0 -97.0 11.3 60.5 22.3 30.1 159 166 A L - 0 0 55 1,-0.1 0, 0.0 2,-0.1 0, 0.0 -0.453 66.9-119.0 -69.0 137.8 57.7 22.9 32.6 160 167 A P > - 0 0 78 0, 0.0 4,-2.2 0, 0.0 5,-0.2 -0.415 37.1-105.3 -70.0 155.0 58.5 24.1 36.2 161 168 A P H > S+ 0 0 86 0, 0.0 4,-2.3 0, 0.0 5,-0.1 0.853 112.2 44.3 -60.3 -43.7 57.3 21.6 38.8 162 169 A L H > S+ 0 0 135 1,-0.2 4,-2.4 2,-0.2 5,-0.1 0.908 114.6 50.0 -71.4 -38.1 54.2 23.2 40.3 163 170 A L H > S+ 0 0 83 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.904 109.2 52.6 -59.0 -42.6 52.9 24.2 37.0 164 171 A R H X S+ 0 0 102 -4,-2.2 4,-2.0 1,-0.2 -2,-0.2 0.965 112.8 45.2 -60.3 -48.5 53.4 20.6 35.7 165 172 A E H X S+ 0 0 103 -4,-2.3 4,-2.3 1,-0.2 -1,-0.2 0.889 111.1 52.4 -58.5 -43.1 51.5 19.3 38.7 166 173 A A H X S+ 0 0 46 -4,-2.4 4,-3.2 1,-0.2 -1,-0.2 0.867 107.6 52.8 -64.1 -40.1 48.7 22.0 38.2 167 174 A L H X S+ 0 0 64 -4,-2.6 4,-2.7 2,-0.2 -1,-0.2 0.889 109.5 47.7 -63.4 -41.6 48.3 21.0 34.5 168 175 A Q H < S+ 0 0 114 -4,-2.0 4,-0.4 2,-0.2 -2,-0.2 0.929 113.7 48.4 -61.6 -45.1 47.8 17.3 35.5 169 176 A I H >< S+ 0 0 98 -4,-2.3 3,-1.8 1,-0.2 4,-0.5 0.973 113.3 47.2 -59.4 -53.0 45.3 18.3 38.1 170 177 A M H >< S+ 0 0 124 -4,-3.2 3,-0.6 1,-0.3 -1,-0.2 0.867 117.9 41.6 -51.8 -48.2 43.6 20.5 35.6 171 178 A D T 3< S+ 0 0 105 -4,-2.7 -1,-0.3 1,-0.2 -2,-0.2 0.245 95.2 83.8 -82.5 4.5 43.6 17.7 32.9 172 179 A S T < S+ 0 0 83 -3,-1.8 2,-0.3 -4,-0.4 -1,-0.2 0.632 102.4 14.0 -89.2 -19.2 42.6 15.0 35.5 173 180 A D S < S- 0 0 52 -3,-0.6 0, 0.0 -4,-0.5 0, 0.0 -0.847 89.1 -93.8-140.2-173.3 38.9 15.7 35.3 174 181 A D S S- 0 0 92 -2,-0.3 -3,-0.1 -3,-0.0 -4,-0.1 0.544 74.0 -89.4 -79.5 -11.8 36.4 17.6 33.1 175 182 A G S > S+ 0 0 22 -28,-0.0 4,-2.3 -5,-0.0 5,-0.2 0.188 98.7 114.1 121.3 -11.6 36.6 20.8 35.3 176 183 A E H > S+ 0 0 74 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.836 71.2 55.0 -65.1 -35.8 33.8 19.9 37.7 177 184 A Q H > S+ 0 0 138 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.944 112.0 41.8 -63.3 -47.7 36.0 19.6 40.8 178 185 A A H > S+ 0 0 74 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.878 115.4 52.9 -63.3 -41.5 37.5 23.1 40.5 179 186 A F H X S+ 0 0 3 -4,-2.3 4,-2.7 1,-0.2 -2,-0.2 0.950 110.4 45.3 -61.7 -49.8 34.1 24.5 39.6 180 187 A L H X S+ 0 0 61 -4,-2.8 4,-1.8 2,-0.2 -2,-0.2 0.883 113.6 50.0 -66.3 -35.9 32.4 22.9 42.6 181 188 A H H X S+ 0 0 142 -4,-2.1 4,-2.2 -5,-0.2 -1,-0.2 0.942 113.8 45.6 -64.1 -46.9 35.3 24.1 45.0 182 189 A G H X S+ 0 0 22 -4,-2.5 4,-2.5 1,-0.2 -2,-0.2 0.876 109.1 56.5 -60.5 -41.8 35.0 27.7 43.6 183 190 A L H X S+ 0 0 0 -4,-2.7 4,-2.4 2,-0.2 -1,-0.2 0.891 107.5 47.8 -57.7 -45.7 31.2 27.6 43.9 184 191 A E H X S+ 0 0 79 -4,-1.8 4,-2.4 2,-0.2 5,-0.2 0.923 111.0 51.8 -65.2 -43.1 31.4 26.8 47.6 185 192 A S H X S+ 0 0 73 -4,-2.2 4,-2.3 1,-0.2 -2,-0.2 0.918 111.1 47.2 -56.2 -51.2 33.9 29.6 48.1 186 193 A L H X S+ 0 0 45 -4,-2.5 4,-2.6 2,-0.2 -2,-0.2 0.901 112.4 48.7 -51.4 -53.2 31.6 32.1 46.3 187 194 A I H X S+ 0 0 3 -4,-2.4 4,-2.1 2,-0.2 -2,-0.2 0.929 112.5 47.8 -61.2 -45.5 28.5 31.1 48.2 188 195 A R H X S+ 0 0 150 -4,-2.4 4,-2.4 1,-0.2 -1,-0.2 0.918 108.2 54.9 -66.4 -39.8 30.2 31.3 51.6 189 196 A G H X S+ 0 0 43 -4,-2.3 4,-2.1 -5,-0.2 -1,-0.2 0.916 108.8 48.5 -56.1 -43.5 31.7 34.7 50.7 190 197 A F H X S+ 0 0 30 -4,-2.6 4,-2.9 1,-0.2 -1,-0.2 0.908 110.3 53.2 -60.6 -40.7 28.2 36.0 50.0 191 198 A E H X S+ 0 0 54 -4,-2.1 4,-2.7 2,-0.2 5,-0.2 0.916 107.2 49.8 -61.6 -45.6 27.1 34.5 53.3 192 199 A V H X S+ 0 0 67 -4,-2.4 4,-1.3 1,-0.2 -1,-0.2 0.939 114.2 46.5 -54.9 -49.1 29.8 36.4 55.3 193 200 A Q H X S+ 0 0 103 -4,-2.1 4,-0.6 -5,-0.2 3,-0.3 0.926 112.9 48.0 -64.1 -44.5 28.8 39.6 53.6 194 201 A L H >< S+ 0 0 40 -4,-2.9 3,-1.3 1,-0.2 -2,-0.2 0.957 113.6 46.0 -62.3 -48.6 25.1 39.1 54.2 195 202 A T H 3< S+ 0 0 94 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.693 98.7 72.8 -71.5 -18.2 25.4 38.2 57.9 196 203 A A H >< + 0 0 13 -4,-1.3 3,-2.7 -3,-0.3 -1,-0.3 0.750 69.1 172.3 -64.6 -28.7 27.8 41.1 58.5 197 204 A L T << S- 0 0 150 -3,-1.3 -1,-0.2 -4,-0.6 -2,-0.1 -0.322 74.1 -18.0 49.0-120.3 25.0 43.7 58.3 198 205 A L T 3 S+ 0 0 175 -3,-0.1 -1,-0.3 2,-0.1 2,-0.2 0.382 110.4 113.7 -92.6 -1.2 26.7 47.0 59.3 199 206 A Q S < S- 0 0 154 -3,-2.7 2,-0.2 -4,-0.1 -3,-0.0 -0.486 78.9-105.2 -73.6 142.0 29.7 45.4 61.1 200 207 A I 0 0 169 1,-0.2 -1,-0.1 -2,-0.2 -2,-0.1 -0.517 360.0 360.0 -63.8 132.4 33.2 45.8 59.7 201 208 A V 0 0 130 -2,-0.2 -1,-0.2 -3,-0.0 -8,-0.0 0.456 360.0 360.0-136.7 360.0 34.0 42.5 58.0