==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=11-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSCRIPTION/DNA 25-MAY-99 1QPI . COMPND 2 MOLECULE: DNA (5'- . SOURCE 2 SYNTHETIC: YES; . AUTHOR P.ORTH,D.SCHNAPPINGER,W.HILLEN,W.SAENGER,W.HINRICHS . 195 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12361.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 145 74.4 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 . 22 11.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 118 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 1 0 0 2 0 0 0 0 1 1 0 0 1 1 1 1 0 0 0 0 0 0 1 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 4 A L 0 0 122 0, 0.0 30,-0.0 0, 0.0 5,-0.0 0.000 360.0 360.0 360.0 75.1 17.7 8.8 44.2 2 5 A N - 0 0 97 1,-0.1 4,-0.4 3,-0.1 39,-0.1 0.494 360.0-100.7 -44.7-168.4 14.8 11.2 45.1 3 6 A R S > S+ 0 0 125 2,-0.2 4,-2.2 3,-0.1 5,-0.1 0.562 124.5 64.3 -94.6 -19.0 11.9 12.7 43.1 4 7 A E H > S+ 0 0 126 2,-0.2 4,-0.6 1,-0.2 -1,-0.1 0.904 102.6 45.0 -69.9 -42.1 14.2 15.7 43.0 5 8 A S H > S+ 0 0 38 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.749 110.8 55.5 -74.5 -21.5 16.7 13.7 40.9 6 9 A V H > S+ 0 0 1 -4,-0.4 4,-2.0 2,-0.2 -2,-0.2 0.960 104.7 50.5 -73.6 -50.3 13.9 12.4 38.7 7 10 A I H X S+ 0 0 15 -4,-2.2 4,-0.9 1,-0.2 -1,-0.2 0.683 111.2 54.7 -61.5 -16.8 12.6 15.8 37.8 8 11 A D H X S+ 0 0 76 -4,-0.6 4,-1.6 2,-0.2 3,-0.5 0.938 106.3 44.1 -81.2 -56.0 16.3 16.6 36.9 9 12 A A H X S+ 0 0 12 -4,-1.9 4,-2.1 1,-0.2 -2,-0.2 0.818 111.5 60.5 -59.2 -26.4 17.0 13.8 34.5 10 13 A A H X S+ 0 0 0 -4,-2.0 4,-1.5 2,-0.2 -1,-0.2 0.894 102.2 48.5 -68.2 -40.1 13.5 14.7 33.1 11 14 A L H X S+ 0 0 5 -4,-0.9 4,-1.6 -3,-0.5 -1,-0.2 0.800 112.2 50.2 -69.6 -28.9 14.6 18.3 32.2 12 15 A E H X S+ 0 0 116 -4,-1.6 4,-0.7 2,-0.2 -2,-0.2 0.868 109.9 50.0 -74.2 -38.2 17.7 16.8 30.6 13 16 A L H X S+ 0 0 7 -4,-2.1 4,-2.0 2,-0.2 5,-0.3 0.776 107.1 55.5 -71.2 -25.5 15.5 14.5 28.6 14 17 A L H X S+ 0 0 0 -4,-1.5 4,-1.8 1,-0.2 -2,-0.2 0.938 107.6 48.3 -71.3 -43.6 13.3 17.4 27.6 15 18 A N H < S+ 0 0 77 -4,-1.6 -1,-0.2 2,-0.2 -2,-0.2 0.631 117.6 44.6 -70.2 -14.9 16.3 19.3 26.1 16 19 A E H < S+ 0 0 101 -4,-0.7 -2,-0.2 2,-0.1 -3,-0.1 0.922 130.2 11.8 -91.5 -66.2 17.3 16.1 24.3 17 20 A T H X S- 0 0 48 -4,-2.0 4,-1.2 1,-0.2 3,-0.4 0.326 98.7-125.5 -98.7 4.2 14.2 14.6 22.7 18 21 A G H >X - 0 0 2 -4,-1.8 3,-0.9 -5,-0.3 4,-0.8 0.121 49.8 -50.8 72.4 170.5 11.6 17.4 23.1 19 22 A I H 34 S+ 0 0 33 1,-0.2 -1,-0.2 2,-0.2 -5,-0.1 0.652 138.2 45.9 -55.7 -18.0 8.2 17.1 24.7 20 23 A D H 34 S+ 0 0 142 -3,-0.4 -1,-0.2 1,-0.1 -2,-0.2 0.735 108.0 50.9 -98.4 -27.1 7.3 14.0 22.6 21 24 A G H << S+ 0 0 12 -4,-1.2 2,-1.9 -3,-0.9 -3,-0.2 0.422 83.4 104.2 -86.3 -2.4 10.4 11.9 23.0 22 25 A L < + 0 0 3 -4,-0.8 2,-0.4 -5,-0.2 -1,-0.1 -0.637 54.3 163.0 -79.3 83.4 10.1 12.5 26.7 23 26 A T >> - 0 0 52 -2,-1.9 4,-2.0 1,-0.1 3,-0.8 -0.888 50.2-120.0-111.0 144.5 8.8 9.0 27.4 24 27 A T H 3> S+ 0 0 21 -2,-0.4 4,-2.4 1,-0.3 3,-0.4 0.896 113.6 51.9 -41.5 -55.9 8.6 7.2 30.8 25 28 A R H 3> S+ 0 0 161 1,-0.2 4,-1.8 2,-0.2 -1,-0.3 0.846 108.5 49.9 -55.1 -38.5 10.8 4.4 29.5 26 29 A K H <> S+ 0 0 88 -3,-0.8 4,-1.0 2,-0.2 -1,-0.2 0.879 110.6 51.7 -69.1 -34.4 13.5 6.8 28.2 27 30 A L H >X S+ 0 0 2 -4,-2.0 4,-2.2 -3,-0.4 3,-0.7 0.947 107.3 51.3 -65.8 -48.2 13.5 8.6 31.6 28 31 A A H 3<>S+ 0 0 3 -4,-2.4 5,-1.7 1,-0.3 -2,-0.2 0.938 108.3 51.6 -53.2 -52.6 13.9 5.4 33.6 29 32 A Q H ><5S+ 0 0 148 -4,-1.8 3,-0.6 1,-0.3 -1,-0.3 0.757 108.2 52.9 -57.0 -28.3 16.9 4.3 31.5 30 33 A K H <<5S+ 0 0 63 -4,-1.0 -1,-0.3 -3,-0.7 -2,-0.2 0.925 110.0 47.0 -73.4 -42.5 18.5 7.7 32.1 31 34 A L T 3<5S- 0 0 19 -4,-2.2 -1,-0.2 -3,-0.1 -2,-0.2 0.237 113.7-122.1 -80.1 10.6 18.0 7.2 35.9 32 35 A G T < 5S+ 0 0 68 -3,-0.6 -3,-0.2 1,-0.2 -4,-0.1 0.498 78.2 111.1 60.1 3.1 19.5 3.7 35.4 33 36 A I S - 0 0 147 -3,-0.1 3,-1.6 1,-0.1 4,-0.4 -0.827 39.5-108.9-103.2 144.5 13.3 0.3 35.6 35 38 A Q G > S+ 0 0 51 -2,-0.4 3,-2.3 1,-0.2 4,-0.5 0.809 108.1 49.0 -38.0 -69.6 10.1 2.0 34.2 36 39 A P G 3 S+ 0 0 88 0, 0.0 3,-0.4 0, 0.0 -1,-0.2 0.616 98.0 74.4 -59.0 -3.4 7.2 1.4 36.7 37 40 A T G X> S+ 0 0 59 -3,-1.6 3,-2.4 1,-0.2 4,-1.0 0.789 82.8 66.3 -74.0 -32.6 9.5 2.6 39.5 38 41 A L H <> S+ 0 0 12 -3,-2.3 4,-2.6 -4,-0.4 -1,-0.2 0.812 89.3 67.5 -59.2 -26.8 9.1 6.1 38.3 39 42 A Y H 34 S+ 0 0 111 -4,-0.5 -1,-0.3 -3,-0.4 -2,-0.2 0.531 93.1 58.4 -71.2 -6.6 5.5 5.6 39.4 40 43 A W H <4 S+ 0 0 197 -3,-2.4 -1,-0.2 1,-0.1 -2,-0.2 0.877 114.2 36.9 -82.4 -47.4 6.9 5.5 42.9 41 44 A H H < S+ 0 0 32 -4,-1.0 2,-0.4 1,-0.1 -2,-0.2 0.748 124.1 34.6 -75.5 -32.3 8.4 9.0 42.4 42 45 A V < - 0 0 16 -4,-2.6 -1,-0.1 1,-0.1 3,-0.1 -0.986 67.3-137.8-129.0 141.8 5.7 10.6 40.3 43 46 A K S S- 0 0 170 -2,-0.4 2,-0.3 1,-0.2 -1,-0.1 0.951 80.7 -42.5 -58.3 -52.9 1.9 10.2 40.4 44 47 A N > - 0 0 57 -3,-0.1 4,-2.1 1,-0.1 -1,-0.2 -0.957 67.5 -78.1-165.5 173.9 1.7 10.2 36.6 45 48 A K H > S+ 0 0 71 -2,-0.3 4,-2.5 1,-0.2 5,-0.2 0.881 125.9 53.3 -51.5 -46.9 3.1 11.9 33.5 46 49 A R H > S+ 0 0 137 1,-0.2 4,-2.5 2,-0.2 5,-0.3 0.952 109.2 50.0 -55.3 -47.5 0.9 14.9 33.8 47 50 A A H > S+ 0 0 25 1,-0.3 4,-1.7 2,-0.2 -1,-0.2 0.882 111.0 50.8 -56.6 -39.6 2.1 15.3 37.4 48 51 A L H X S+ 0 0 12 -4,-2.1 4,-2.2 2,-0.2 -1,-0.3 0.854 109.0 49.8 -66.8 -39.1 5.6 15.1 36.0 49 52 A L H X S+ 0 0 37 -4,-2.5 4,-2.4 2,-0.2 -2,-0.2 0.895 109.6 49.6 -70.8 -37.7 5.1 17.7 33.3 50 53 A D H X S+ 0 0 36 -4,-2.5 4,-2.5 2,-0.2 5,-0.3 0.899 108.9 56.3 -65.2 -36.3 3.6 20.2 35.8 51 54 A A H X S+ 0 0 10 -4,-1.7 4,-3.0 -5,-0.3 -2,-0.2 0.954 107.5 46.3 -58.7 -50.0 6.6 19.4 37.9 52 55 A L H X S+ 0 0 0 -4,-2.2 4,-2.9 2,-0.2 -1,-0.2 0.880 110.4 53.6 -61.5 -40.7 9.0 20.4 35.0 53 56 A A H X S+ 0 0 4 -4,-2.4 4,-2.2 2,-0.2 5,-0.2 0.977 113.0 41.7 -58.0 -56.3 7.0 23.6 34.4 54 57 A V H X S+ 0 0 47 -4,-2.5 4,-2.9 1,-0.2 5,-0.3 0.929 114.4 54.1 -57.2 -44.7 7.2 24.8 38.0 55 58 A E H X S+ 0 0 52 -4,-3.0 4,-2.2 -5,-0.3 -1,-0.2 0.907 106.7 50.3 -57.7 -43.9 10.8 23.7 38.0 56 59 A I H X S+ 0 0 4 -4,-2.9 4,-2.2 2,-0.2 5,-0.5 0.966 115.0 42.5 -60.4 -51.4 11.8 25.7 34.9 57 60 A L H X S+ 0 0 26 -4,-2.2 4,-2.3 1,-0.2 3,-0.3 0.950 114.5 49.5 -60.5 -51.4 10.2 28.9 36.3 58 61 A A H < S+ 0 0 78 -4,-2.9 -1,-0.2 1,-0.2 -2,-0.2 0.852 115.2 47.9 -55.2 -36.7 11.6 28.4 39.8 59 62 A R H < S+ 0 0 93 -4,-2.2 -1,-0.2 -5,-0.3 -2,-0.2 0.808 133.3 6.1 -77.9 -31.1 15.0 27.8 38.2 60 63 A H H < S+ 0 0 40 -4,-2.2 2,-2.2 -3,-0.3 3,-0.3 0.699 102.5 85.8-125.6 -31.5 15.2 30.7 35.8 61 64 A H < + 0 0 32 -4,-2.3 3,-0.2 -5,-0.5 -1,-0.1 -0.418 45.4 150.8 -78.3 71.6 12.3 33.1 36.2 62 65 A D + 0 0 126 -2,-2.2 2,-2.3 1,-0.2 3,-0.5 0.900 54.5 72.9 -69.0 -42.5 13.8 35.2 39.0 63 66 A Y + 0 0 66 -3,-0.3 -1,-0.2 1,-0.2 19,-0.2 -0.329 53.6 124.7 -75.5 61.0 12.0 38.5 38.1 64 67 A S + 0 0 29 -2,-2.3 -1,-0.2 -3,-0.2 -2,-0.1 0.690 67.6 53.3 -89.9 -19.3 8.6 37.6 39.3 65 68 A L S S- 0 0 70 -3,-0.5 2,-0.1 47,-0.0 45,-0.0 -0.878 86.3-109.2-123.0 148.8 8.3 40.6 41.6 66 69 A P - 0 0 27 0, 0.0 2,-0.1 0, 0.0 3,-0.1 -0.451 33.3-125.3 -70.8 140.1 8.8 44.4 41.3 67 70 A A > - 0 0 53 1,-0.1 3,-1.5 -2,-0.1 2,-0.2 -0.403 46.8 -75.3 -76.9 165.7 11.9 45.9 42.9 68 71 A A T 3 S+ 0 0 112 1,-0.2 -1,-0.1 -2,-0.1 0, 0.0 -0.467 117.2 6.0 -68.6 128.1 11.3 48.8 45.3 69 72 A G T 3 S+ 0 0 88 1,-0.2 -1,-0.2 -2,-0.2 2,-0.1 0.467 91.3 149.0 81.3 4.4 10.4 52.0 43.6 70 73 A E < - 0 0 27 -3,-1.5 -1,-0.2 1,-0.1 2,-0.1 -0.439 48.6-117.5 -74.2 140.0 10.2 50.4 40.1 71 74 A S > - 0 0 51 -2,-0.1 4,-2.2 1,-0.1 5,-0.1 -0.426 21.7-120.1 -72.3 152.2 7.8 51.9 37.5 72 75 A W H > S+ 0 0 16 2,-0.2 4,-2.5 1,-0.2 5,-0.3 0.917 115.4 57.3 -60.2 -38.5 5.1 49.6 36.2 73 76 A Q H > S+ 0 0 39 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.968 109.3 44.0 -55.9 -53.0 6.5 50.0 32.7 74 77 A S H > S+ 0 0 28 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.819 114.2 50.5 -63.3 -32.6 9.8 48.7 33.9 75 78 A F H X S+ 0 0 0 -4,-2.2 4,-3.4 2,-0.2 5,-0.3 0.999 111.2 45.5 -66.9 -64.3 8.3 45.9 35.9 76 79 A L H X S+ 0 0 1 -4,-2.5 4,-2.6 1,-0.2 5,-0.3 0.876 116.3 48.3 -43.0 -47.1 6.1 44.5 33.1 77 80 A R H X S+ 0 0 76 -4,-2.4 4,-2.4 -5,-0.3 5,-0.2 0.980 116.0 42.2 -57.9 -60.1 9.0 44.8 30.7 78 81 A N H X S+ 0 0 49 -4,-2.4 4,-1.3 2,-0.2 -2,-0.2 0.807 115.1 50.3 -57.1 -39.8 11.5 43.0 33.1 79 82 A N H X S+ 0 0 19 -4,-3.4 4,-3.1 2,-0.2 3,-0.4 0.971 112.1 46.6 -65.8 -52.6 9.0 40.4 34.2 80 83 A A H X S+ 0 0 2 -4,-2.6 4,-2.7 -5,-0.3 5,-0.3 0.872 111.7 50.9 -59.7 -39.2 8.1 39.4 30.6 81 84 A M H X S+ 0 0 51 -4,-2.4 4,-1.7 -5,-0.3 -1,-0.3 0.840 112.6 46.2 -69.8 -30.8 11.6 39.3 29.5 82 85 A S H X S+ 0 0 3 -4,-1.3 4,-1.8 -3,-0.4 -2,-0.2 0.916 112.5 51.5 -75.0 -41.2 12.5 37.0 32.4 83 86 A F H >X S+ 0 0 22 -4,-3.1 4,-2.0 2,-0.2 3,-0.7 0.969 113.2 42.9 -57.0 -58.9 9.4 34.9 31.7 84 87 A R H 3X S+ 0 0 15 -4,-2.7 4,-2.5 1,-0.3 -1,-0.2 0.904 111.5 55.6 -54.8 -45.9 10.2 34.4 28.0 85 88 A R H 3X S+ 0 0 107 -4,-1.7 4,-0.6 -5,-0.3 -1,-0.3 0.821 106.6 51.1 -59.8 -31.1 13.9 33.8 28.8 86 89 A A H X< S+ 0 0 0 -4,-1.8 3,-1.1 -3,-0.7 4,-0.4 0.954 111.4 46.4 -69.9 -49.7 12.9 31.0 31.2 87 90 A L H >< S+ 0 0 2 -4,-2.0 3,-1.1 1,-0.3 6,-0.4 0.858 108.2 57.5 -58.2 -41.4 10.7 29.2 28.5 88 91 A L H 3< S+ 0 0 55 -4,-2.5 -1,-0.3 1,-0.2 -2,-0.2 0.670 91.4 70.4 -67.5 -18.0 13.4 29.6 25.9 89 92 A R T << S+ 0 0 124 -3,-1.1 2,-0.4 -4,-0.6 -1,-0.2 0.731 98.8 53.3 -74.1 -20.3 16.0 27.7 28.0 90 93 A Y S X S- 0 0 22 -3,-1.1 3,-2.4 -4,-0.4 4,-0.3 -0.943 91.9-110.3-121.9 137.4 14.2 24.4 27.5 91 94 A R T 3 S+ 0 0 99 -2,-0.4 -75,-0.1 1,-0.3 5,-0.1 -0.441 108.9 3.7 -61.1 125.7 13.0 22.7 24.3 92 95 A D T >> S+ 0 0 29 -2,-0.2 4,-2.9 -74,-0.1 3,-0.6 0.555 89.8 144.2 70.8 11.0 9.3 22.9 24.1 93 96 A G H <> + 0 0 1 -3,-2.4 4,-2.4 -6,-0.4 5,-0.2 0.843 69.0 49.6 -47.6 -45.1 9.4 24.9 27.4 94 97 A A H 3> S+ 0 0 0 -4,-0.3 4,-2.6 -7,-0.3 -1,-0.3 0.900 113.1 46.6 -65.1 -38.8 6.5 27.1 26.3 95 98 A K H <> S+ 0 0 89 -3,-0.6 4,-1.5 2,-0.2 -2,-0.2 0.909 111.9 50.2 -67.8 -44.9 4.4 24.0 25.4 96 99 A V H X S+ 0 0 5 -4,-2.9 4,-0.7 1,-0.2 3,-0.3 0.925 113.4 47.8 -58.0 -44.3 5.3 22.2 28.6 97 100 A H H >< S+ 0 0 45 -4,-2.4 3,-1.3 -5,-0.3 -2,-0.2 0.930 104.7 59.0 -62.7 -48.6 4.3 25.4 30.5 98 101 A L H 3< S+ 0 0 97 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.818 101.1 56.4 -53.1 -34.9 1.0 25.8 28.6 99 102 A G H 3< S+ 0 0 53 -4,-1.5 -1,-0.3 -3,-0.3 -2,-0.2 0.788 89.9 92.7 -71.3 -26.3 -0.2 22.4 29.8 100 103 A T S << S- 0 0 19 -3,-1.3 3,-0.1 -4,-0.7 -53,-0.0 -0.323 73.4-128.3 -75.0 144.7 0.2 23.2 33.5 101 104 A R - 0 0 175 1,-0.1 -1,-0.1 -2,-0.1 -2,-0.1 -0.653 50.1 -81.1 -84.1 147.4 -2.5 24.6 35.8 102 105 A P - 0 0 107 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.259 51.7-106.3 -54.3 136.1 -1.4 27.6 37.7 103 106 A D > - 0 0 44 1,-0.1 3,-1.2 -3,-0.1 -3,-0.0 -0.463 14.7-151.4 -67.5 127.6 0.7 26.9 40.8 104 107 A E G > S+ 0 0 135 -2,-0.3 3,-1.5 1,-0.2 4,-0.2 0.819 93.2 67.5 -67.8 -30.6 -1.0 27.4 44.2 105 108 A K G 3 S+ 0 0 158 1,-0.3 -1,-0.2 2,-0.1 4,-0.1 0.392 96.3 55.2 -71.6 0.1 2.4 28.2 45.8 106 109 A Q G <> + 0 0 63 -3,-1.2 4,-2.4 2,-0.1 -1,-0.3 0.168 69.5 109.1-119.2 15.9 2.6 31.4 43.9 107 110 A Y H <> S+ 0 0 153 -3,-1.5 4,-2.0 1,-0.2 -2,-0.1 0.818 81.1 51.5 -57.6 -38.0 -0.7 32.9 45.0 108 111 A D H > S+ 0 0 128 2,-0.2 4,-1.4 -4,-0.2 -1,-0.2 0.864 108.9 48.8 -68.6 -39.9 1.3 35.4 47.1 109 112 A T H > S+ 0 0 28 2,-0.2 4,-1.9 1,-0.2 -2,-0.2 0.900 111.4 50.7 -66.7 -42.4 3.5 36.5 44.1 110 113 A V H X S+ 0 0 72 -4,-2.4 4,-2.2 1,-0.2 3,-0.3 0.973 110.4 47.8 -59.6 -56.4 0.4 36.9 41.9 111 114 A E H X S+ 0 0 111 -4,-2.0 4,-2.6 1,-0.2 -1,-0.2 0.780 108.2 54.9 -57.1 -32.2 -1.4 39.1 44.4 112 115 A T H X S+ 0 0 42 -4,-1.4 4,-2.7 2,-0.2 -1,-0.2 0.905 107.5 50.8 -69.8 -39.2 1.7 41.3 45.0 113 116 A Q H X S+ 0 0 23 -4,-1.9 4,-1.4 -3,-0.3 -2,-0.2 0.927 110.9 49.1 -63.6 -42.7 1.8 41.9 41.2 114 117 A L H >X S+ 0 0 41 -4,-2.2 4,-1.4 1,-0.2 3,-0.7 0.966 111.6 47.8 -61.0 -50.6 -1.9 42.9 41.3 115 118 A R H 3X S+ 0 0 111 -4,-2.6 4,-1.8 1,-0.2 3,-0.3 0.919 104.7 60.9 -57.1 -43.8 -1.4 45.2 44.2 116 119 A F H 3< S+ 0 0 21 -4,-2.7 4,-0.3 1,-0.2 -1,-0.2 0.849 103.4 51.3 -52.5 -38.3 1.6 46.8 42.6 117 120 A M H X<>S+ 0 0 0 -4,-1.4 5,-1.7 -3,-0.7 3,-1.4 0.912 106.5 52.0 -68.5 -42.2 -0.6 47.9 39.6 118 121 A T H ><5S+ 0 0 70 -4,-1.4 3,-1.0 -3,-0.3 -1,-0.2 0.836 110.0 50.7 -62.5 -33.8 -3.3 49.6 41.8 119 122 A E T 3<5S+ 0 0 131 -4,-1.8 -1,-0.3 1,-0.2 -2,-0.2 0.607 108.1 50.3 -75.9 -9.3 -0.6 51.6 43.5 120 123 A N T < 5S- 0 0 60 -3,-1.4 -1,-0.2 -4,-0.3 -2,-0.2 0.123 134.5 -76.2-122.8 24.0 1.0 52.8 40.1 121 124 A G T < 5S+ 0 0 57 -3,-1.0 -3,-0.2 1,-0.3 2,-0.1 0.001 92.0 119.0 113.2 -29.2 -2.7 54.1 38.6 122 125 A F < - 0 0 9 -5,-1.7 -1,-0.3 1,-0.1 -2,-0.1 -0.394 56.5-135.9 -78.5 149.4 -4.6 51.1 37.5 123 126 A S > - 0 0 56 -2,-0.1 4,-1.2 1,-0.1 5,-0.2 -0.237 44.6 -91.3 -82.1-171.0 -7.9 49.9 38.8 124 127 A L H >> S+ 0 0 109 2,-0.2 4,-2.7 1,-0.1 3,-1.1 0.999 124.7 45.0 -68.9 -59.7 -8.0 46.2 39.5 125 128 A R H 3> S+ 0 0 159 1,-0.3 4,-3.6 2,-0.2 5,-0.3 0.873 112.3 52.0 -51.8 -43.0 -9.3 45.1 36.1 126 129 A D H 3> S+ 0 0 57 1,-0.2 4,-1.8 2,-0.2 -1,-0.3 0.818 111.8 46.2 -66.0 -30.5 -6.9 47.3 34.2 127 130 A G H - 0 0 77 0, 0.0 4,-2.5 0, 0.0 5,-0.2 -0.438 39.9 -98.1 -69.8 156.7 5.9 36.4 -2.7 158 168 A P H > S+ 0 0 112 0, 0.0 4,-2.1 0, 0.0 5,-0.2 0.820 116.1 38.7 -35.9 -72.5 8.3 39.5 -2.2 159 169 A L H > S+ 0 0 144 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.939 117.9 50.0 -51.0 -54.2 7.3 41.0 1.2 160 170 A L H > S+ 0 0 80 1,-0.2 4,-2.8 2,-0.2 5,-0.3 0.902 107.8 55.0 -52.4 -46.2 6.7 37.6 2.8 161 171 A R H X S+ 0 0 132 -4,-2.5 4,-1.6 1,-0.2 -1,-0.2 0.934 113.5 40.1 -52.6 -53.2 10.1 36.4 1.5 162 172 A E H X S+ 0 0 121 -4,-2.1 4,-1.6 1,-0.2 -1,-0.2 0.851 112.1 57.7 -67.6 -35.8 11.9 39.3 3.2 163 173 A A H X S+ 0 0 42 -4,-2.9 4,-2.1 2,-0.2 3,-0.3 0.933 106.9 46.7 -61.4 -46.8 9.6 39.0 6.3 164 174 A L H X S+ 0 0 83 -4,-2.8 4,-2.2 1,-0.2 -1,-0.2 0.858 108.6 57.3 -62.8 -35.8 10.6 35.4 6.9 165 175 A Q H X S+ 0 0 110 -4,-1.6 4,-1.6 -5,-0.3 -1,-0.2 0.864 107.1 49.2 -63.2 -34.7 14.2 36.5 6.4 166 176 A I H X S+ 0 0 87 -4,-1.6 4,-1.6 -3,-0.3 5,-0.3 0.956 113.6 42.1 -69.8 -54.1 13.7 39.1 9.3 167 177 A M H X S+ 0 0 105 -4,-2.1 4,-2.5 1,-0.2 -2,-0.2 0.847 113.5 56.9 -62.0 -31.2 12.2 36.7 11.8 168 178 A D H < S+ 0 0 103 -4,-2.2 -1,-0.2 -5,-0.3 -2,-0.2 0.873 102.7 55.1 -66.6 -39.1 14.9 34.2 10.6 169 179 A S H < S+ 0 0 106 -4,-1.6 -2,-0.2 -3,-0.2 -1,-0.2 0.974 123.8 21.4 -55.0 -62.7 17.6 36.6 11.5 170 180 A D H < S- 0 0 52 -4,-1.6 3,-0.2 1,-0.0 -2,-0.2 0.828 94.2-124.8 -73.2 -48.4 16.6 37.2 15.1 171 181 A D S < S- 0 0 67 -4,-2.5 -3,-0.1 -5,-0.3 -4,-0.1 0.057 78.4 -58.1 108.3 -10.3 14.6 34.1 15.9 172 182 A G S > S+ 0 0 11 -6,-0.2 4,-3.1 -5,-0.0 5,-0.2 0.285 104.5 126.4 125.4 -6.5 11.9 36.6 16.9 173 183 A E H > S+ 0 0 87 1,-0.2 4,-3.1 2,-0.2 5,-0.3 0.919 79.7 38.0 -44.4 -67.3 13.8 38.6 19.6 174 184 A Q H > S+ 0 0 128 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.856 114.7 57.0 -57.1 -37.9 13.4 42.1 18.2 175 185 A A H > S+ 0 0 41 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.959 111.8 43.0 -55.9 -49.7 9.9 41.2 17.1 176 186 A F H X S+ 0 0 6 -4,-3.1 4,-2.3 2,-0.2 -2,-0.2 0.950 112.8 49.4 -61.2 -55.9 9.1 40.3 20.7 177 187 A L H X S+ 0 0 58 -4,-3.1 4,-1.8 1,-0.2 -1,-0.2 0.869 112.0 52.5 -55.3 -31.8 10.8 43.3 22.2 178 188 A H H X S+ 0 0 130 -4,-2.5 4,-1.6 -5,-0.3 -1,-0.2 0.897 109.4 45.7 -72.1 -43.2 8.9 45.4 19.7 179 189 A G H X S+ 0 0 15 -4,-2.1 4,-1.9 2,-0.2 -1,-0.2 0.800 108.6 58.7 -69.7 -28.8 5.5 44.0 20.6 180 190 A L H X S+ 0 0 1 -4,-2.3 4,-2.2 2,-0.2 3,-0.4 0.976 109.0 42.7 -63.0 -54.9 6.3 44.3 24.4 181 191 A E H X S+ 0 0 54 -4,-1.8 4,-2.8 1,-0.2 5,-0.3 0.837 108.4 61.3 -60.6 -33.5 6.8 48.1 24.0 182 192 A S H X S+ 0 0 62 -4,-1.6 4,-1.5 2,-0.2 -1,-0.2 0.932 107.4 44.4 -60.0 -42.9 3.7 48.2 21.8 183 193 A L H X S+ 0 0 40 -4,-1.9 4,-1.7 -3,-0.4 -2,-0.2 0.949 114.1 48.5 -65.7 -49.8 1.7 46.9 24.8 184 194 A I H X S+ 0 0 2 -4,-2.2 4,-2.9 2,-0.2 -2,-0.2 0.910 111.6 48.0 -56.9 -48.9 3.3 49.2 27.4 185 195 A R H X S+ 0 0 149 -4,-2.8 4,-2.6 1,-0.3 -1,-0.2 0.862 111.3 52.8 -62.4 -33.4 2.8 52.4 25.3 186 196 A G H X S+ 0 0 24 -4,-1.5 4,-1.0 -5,-0.3 -1,-0.3 0.832 109.8 48.0 -70.0 -32.3 -0.7 51.3 24.7 187 197 A F H X S+ 0 0 21 -4,-1.7 4,-2.1 2,-0.2 -2,-0.2 0.917 111.2 50.6 -73.0 -43.0 -1.1 51.0 28.5 188 198 A E H >X S+ 0 0 73 -4,-2.9 4,-2.7 1,-0.2 3,-0.5 0.973 110.9 48.3 -57.1 -56.1 0.4 54.4 29.1 189 199 A V H 3< S+ 0 0 88 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.737 112.4 49.0 -58.7 -27.2 -1.9 56.1 26.6 190 200 A Q H 3< S+ 0 0 125 -4,-1.0 4,-0.5 -3,-0.2 -1,-0.3 0.820 111.5 50.0 -82.5 -29.9 -4.9 54.4 28.1 191 201 A L H XX S+ 0 0 22 -4,-2.1 4,-2.1 -3,-0.5 3,-1.2 0.936 110.8 46.5 -72.9 -47.0 -3.9 55.5 31.6 192 202 A T T 3< S+ 0 0 85 -4,-2.7 4,-0.3 1,-0.3 -1,-0.2 0.575 109.1 59.3 -71.7 -5.2 -3.3 59.1 30.7 193 203 A A T 34 S+ 0 0 56 -5,-0.3 -1,-0.3 2,-0.2 -2,-0.2 0.605 106.7 45.5 -93.1 -19.0 -6.7 58.8 28.9 194 204 A L T <4 S+ 0 0 108 -3,-1.2 -2,-0.2 -4,-0.5 -3,-0.1 0.834 110.9 50.7 -87.0 -43.9 -8.4 57.9 32.2 195 205 A L < 0 0 158 -4,-2.1 -2,-0.2 -5,-0.1 -3,-0.1 0.741 360.0 360.0 -62.2 -26.6 -6.7 60.6 34.3 196 206 A Q 0 0 198 -4,-0.3 -3,-0.1 -5,-0.2 -2,-0.0 0.374 360.0 360.0 -77.1 360.0 -7.9 62.9 31.5