==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=3-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 01-MAY-07 2PQ7 . COMPND 2 MOLECULE: PREDICTED HD SUPERFAMILY HYDROLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: UNCULTURED THERMOTOGALES BACTERIUM; . AUTHOR JOINT CENTER FOR STRUCTURAL GENOMICS (JCSG) . 174 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9372.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 128 73.6 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 . 2 1.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 18 10.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 106 60.9 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 0 0 0 2 0 1 1 1 2 1 0 0 0 0 1 0 0 0 0 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 1 A X 0 0 76 0, 0.0 2,-0.1 0, 0.0 44,-0.1 0.000 360.0 360.0 360.0 142.0 44.3 36.0 23.8 2 2 A N > - 0 0 85 1,-0.0 4,-2.1 4,-0.0 5,-0.1 -0.389 360.0 -97.1 -88.8 174.1 44.3 32.9 25.9 3 3 A L H > S+ 0 0 56 2,-0.2 4,-2.8 1,-0.2 5,-0.2 0.815 122.8 57.1 -64.6 -35.4 41.9 30.0 25.3 4 4 A T H > S+ 0 0 94 2,-0.2 4,-1.2 1,-0.2 -1,-0.2 0.923 109.2 47.1 -60.5 -43.7 39.4 31.2 27.9 5 5 A E H > S+ 0 0 78 2,-0.2 4,-0.9 1,-0.2 3,-0.3 0.897 111.8 49.3 -65.1 -42.6 39.2 34.5 26.1 6 6 A L H >X S+ 0 0 0 -4,-2.1 4,-2.5 1,-0.2 3,-0.8 0.906 108.6 54.2 -62.4 -38.9 38.8 32.8 22.8 7 7 A X H 3< S+ 0 0 88 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.756 103.7 56.0 -68.2 -24.6 36.0 30.6 24.3 8 8 A E H 3< S+ 0 0 146 -4,-1.2 -1,-0.3 -3,-0.3 -2,-0.2 0.730 118.7 33.1 -71.9 -28.2 34.2 33.8 25.4 9 9 A R H << S+ 0 0 136 -4,-0.9 -2,-0.2 -3,-0.8 -3,-0.1 0.671 110.5 62.8-101.2 -23.1 34.2 35.1 21.8 10 10 A I S >< S- 0 0 4 -4,-2.5 3,-1.6 -5,-0.1 4,-0.2 -0.913 77.3-127.4-118.7 116.5 33.9 32.0 19.6 11 11 A P T 3 S+ 0 0 56 0, 0.0 -3,-0.1 0, 0.0 83,-0.0 -0.252 89.1 1.9 -58.3 141.5 30.9 29.7 19.6 12 12 A H T 3> S+ 0 0 91 -5,-0.1 4,-2.5 1,-0.1 5,-0.2 0.550 83.6 139.7 62.2 18.6 31.6 26.0 20.1 13 13 A L H <> + 0 0 2 -3,-1.6 4,-2.8 1,-0.2 5,-0.2 0.870 67.4 52.3 -61.1 -44.2 35.3 26.5 20.4 14 14 A R H > S+ 0 0 94 -4,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.913 111.6 46.4 -57.0 -46.7 35.8 24.0 23.2 15 15 A E H > S+ 0 0 42 2,-0.2 4,-2.7 1,-0.2 -2,-0.2 0.931 113.2 49.6 -64.7 -41.5 34.0 21.2 21.2 16 16 A I H X S+ 0 0 0 -4,-2.5 4,-2.5 1,-0.2 -2,-0.2 0.934 111.5 48.2 -63.2 -46.5 36.0 22.1 18.1 17 17 A L H X S+ 0 0 24 -4,-2.8 4,-2.8 1,-0.2 -1,-0.2 0.935 110.8 52.6 -57.5 -44.7 39.3 22.0 20.0 18 18 A N H X S+ 0 0 81 -4,-2.5 4,-2.3 -5,-0.2 -2,-0.2 0.945 109.3 48.0 -55.6 -48.1 38.2 18.7 21.5 19 19 A I H X S+ 0 0 39 -4,-2.7 4,-2.6 2,-0.2 -2,-0.2 0.904 111.1 51.6 -61.0 -42.8 37.5 17.2 18.0 20 20 A V H X S+ 0 0 0 -4,-2.5 4,-1.8 2,-0.2 -1,-0.2 0.944 108.8 49.9 -62.5 -45.5 40.8 18.4 16.8 21 21 A R H X S+ 0 0 97 -4,-2.8 4,-0.5 1,-0.2 -2,-0.2 0.930 111.8 48.9 -58.1 -44.6 42.7 16.8 19.7 22 22 A E H >< S+ 0 0 113 -4,-2.3 3,-0.9 1,-0.2 -1,-0.2 0.884 108.0 54.2 -62.0 -41.6 40.8 13.6 19.0 23 23 A A H 3< S+ 0 0 37 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.834 112.5 43.8 -60.3 -36.0 41.7 13.7 15.3 24 24 A F H >< S+ 0 0 9 -4,-1.8 3,-2.3 -5,-0.2 -1,-0.2 0.463 79.0 129.8 -89.6 -1.9 45.4 14.1 16.1 25 25 A K T << S+ 0 0 119 -3,-0.9 3,-0.1 -4,-0.5 -3,-0.1 -0.325 86.9 4.7 -57.6 123.5 45.5 11.4 18.9 26 26 A D T 3 S+ 0 0 110 1,-0.2 2,-0.5 2,-0.0 -1,-0.3 0.764 98.6 115.3 68.4 23.1 48.4 9.2 17.9 27 27 A Y < + 0 0 36 -3,-2.3 7,-0.5 1,-0.1 -1,-0.2 -0.920 32.6 161.6-118.9 102.0 49.6 11.3 14.9 28 28 A D + 0 0 83 -2,-0.5 5,-0.2 5,-0.1 -1,-0.1 0.179 12.0 142.5-112.8 15.4 53.0 12.4 16.1 29 29 A D >> - 0 0 65 1,-0.2 3,-2.1 3,-0.1 4,-0.8 -0.461 45.9-146.1 -58.1 116.2 54.9 13.6 13.0 30 30 A P T 34 S+ 0 0 83 0, 0.0 -1,-0.2 0, 0.0 3,-0.1 0.701 96.6 58.4 -62.6 -20.4 56.7 16.6 14.4 31 31 A A T 34 S+ 0 0 57 1,-0.2 -2,-0.1 5,-0.0 -3,-0.0 0.629 124.8 17.2 -79.1 -15.8 56.4 18.4 11.1 32 32 A H T <4 S+ 0 0 47 -3,-2.1 -1,-0.2 4,-0.0 -3,-0.1 0.201 90.0 132.8-144.6 19.2 52.6 18.1 11.2 33 33 A D S >X S- 0 0 39 -4,-0.8 3,-1.3 -5,-0.2 4,-0.9 -0.077 72.2 -89.6 -75.4 177.3 51.4 17.4 14.7 34 34 A I H 3> S+ 0 0 41 -7,-0.5 4,-2.0 1,-0.3 5,-0.2 0.788 119.0 68.2 -58.5 -28.7 48.7 19.1 16.7 35 35 A S H 3> S+ 0 0 42 1,-0.2 4,-2.4 2,-0.2 -1,-0.3 0.863 94.2 59.4 -65.2 -32.2 51.0 21.8 18.1 36 36 A H H <> S+ 0 0 19 -3,-1.3 4,-2.8 2,-0.2 5,-0.2 0.948 104.0 51.1 -53.6 -50.2 51.3 23.2 14.6 37 37 A T H X S+ 0 0 0 -4,-0.9 4,-2.5 1,-0.2 -2,-0.2 0.924 109.8 49.1 -57.0 -42.2 47.5 23.7 14.5 38 38 A F H X S+ 0 0 69 -4,-2.0 4,-2.1 1,-0.2 -1,-0.2 0.930 111.3 48.7 -67.6 -37.5 47.5 25.6 17.8 39 39 A R H X S+ 0 0 48 -4,-2.4 4,-2.4 2,-0.2 -1,-0.2 0.883 110.9 51.6 -66.9 -38.2 50.4 27.8 16.7 40 40 A V H X S+ 0 0 0 -4,-2.8 4,-3.0 2,-0.2 -1,-0.2 0.915 108.9 50.2 -63.5 -42.6 48.5 28.6 13.4 41 41 A X H X S+ 0 0 3 -4,-2.5 4,-2.3 -5,-0.2 -2,-0.2 0.923 109.0 51.6 -64.8 -37.0 45.4 29.5 15.4 42 42 A E H X S+ 0 0 76 -4,-2.1 4,-2.0 2,-0.2 -2,-0.2 0.935 112.2 46.9 -61.6 -44.3 47.5 31.8 17.6 43 43 A N H X S+ 0 0 8 -4,-2.4 4,-2.6 1,-0.2 -2,-0.2 0.916 112.1 50.0 -62.6 -43.1 48.9 33.5 14.4 44 44 A A H X S+ 0 0 0 -4,-3.0 4,-2.8 1,-0.2 5,-0.3 0.872 107.7 54.4 -63.9 -35.4 45.4 33.7 12.9 45 45 A S H X S+ 0 0 5 -4,-2.3 4,-2.0 2,-0.2 5,-0.2 0.925 111.5 44.4 -63.5 -46.3 44.1 35.3 16.1 46 46 A E H X S+ 0 0 45 -4,-2.0 4,-2.7 2,-0.2 5,-0.3 0.962 116.4 46.2 -61.4 -49.6 46.8 38.0 16.0 47 47 A I H X S+ 0 0 0 -4,-2.6 4,-2.7 1,-0.2 5,-0.2 0.949 113.7 45.9 -63.3 -53.3 46.3 38.7 12.3 48 48 A A H X>S+ 0 0 0 -4,-2.8 5,-2.3 1,-0.2 4,-0.7 0.904 113.8 50.3 -60.0 -41.5 42.5 38.8 12.3 49 49 A S H ><5S+ 0 0 46 -4,-2.0 3,-0.9 -5,-0.3 -1,-0.2 0.966 115.4 41.0 -60.6 -50.6 42.4 41.1 15.3 50 50 A R H 3<5S+ 0 0 120 -4,-2.7 -2,-0.2 1,-0.2 -1,-0.2 0.839 115.1 51.0 -72.1 -28.8 44.9 43.5 13.9 51 51 A E H 3<5S- 0 0 58 -4,-2.7 -1,-0.2 -5,-0.3 -2,-0.2 0.501 107.5-124.6 -83.2 -6.1 43.4 43.5 10.4 52 52 A K T <<5 + 0 0 188 -3,-0.9 -3,-0.2 -4,-0.7 2,-0.1 0.887 65.4 138.4 62.5 39.6 40.0 44.1 11.8 53 53 A C < - 0 0 39 -5,-2.3 2,-0.9 -6,-0.2 -1,-0.2 -0.404 66.7 -63.8-104.7-178.6 38.7 41.0 10.0 54 54 A D > - 0 0 67 1,-0.2 4,-2.1 -2,-0.1 5,-0.2 -0.580 44.2-172.7 -75.6 104.1 36.4 38.2 11.2 55 55 A L H > S+ 0 0 13 -2,-0.9 4,-2.9 1,-0.2 5,-0.3 0.860 81.2 57.4 -63.9 -40.8 38.1 36.4 14.1 56 56 A Q H > S+ 0 0 69 2,-0.2 4,-2.2 1,-0.2 5,-0.2 0.931 110.3 43.4 -58.3 -50.8 35.5 33.6 14.4 57 57 A K H > S+ 0 0 36 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.927 115.6 49.4 -59.8 -44.8 36.1 32.6 10.7 58 58 A A H X S+ 0 0 0 -4,-2.1 4,-2.3 1,-0.2 -2,-0.2 0.913 113.5 44.4 -63.0 -46.8 39.9 32.9 11.1 59 59 A I H X S+ 0 0 0 -4,-2.9 4,-2.6 2,-0.2 -1,-0.2 0.917 115.6 46.2 -63.9 -48.7 40.1 30.9 14.3 60 60 A I H X S+ 0 0 0 -4,-2.2 4,-2.3 -5,-0.3 -2,-0.2 0.916 112.6 50.5 -64.3 -42.0 37.8 28.1 13.2 61 61 A A H X S+ 0 0 0 -4,-2.6 4,-1.7 -5,-0.2 -1,-0.2 0.923 111.7 48.3 -63.5 -42.8 39.5 27.8 9.8 62 62 A A H < S+ 0 0 0 -4,-2.3 4,-0.4 -5,-0.2 -1,-0.2 0.913 111.5 49.8 -59.9 -45.1 42.9 27.6 11.5 63 63 A L H < S+ 0 0 0 -4,-2.6 3,-0.2 1,-0.2 -1,-0.2 0.891 121.3 34.3 -61.4 -39.3 41.7 24.9 14.0 64 64 A L H >< S+ 0 0 0 -4,-2.3 3,-2.0 -5,-0.2 4,-0.3 0.632 90.3 94.8 -91.0 -8.4 40.2 22.8 11.2 65 65 A H T 3< S+ 0 0 0 -4,-1.7 3,-0.2 1,-0.3 18,-0.2 0.798 99.6 25.1 -63.7 -35.2 42.7 23.4 8.4 66 66 A D T > S+ 0 0 5 -4,-0.4 3,-2.2 -3,-0.2 -1,-0.3 0.112 84.4 116.9-110.2 22.1 44.9 20.4 9.0 67 67 A I T < S+ 0 0 10 -3,-2.0 4,-0.3 1,-0.3 -1,-0.1 0.792 80.3 48.8 -65.5 -20.6 42.3 18.2 10.7 68 68 A K T 3> S+ 0 0 60 -4,-0.3 4,-2.4 11,-0.3 -1,-0.3 0.260 81.3 100.0-102.1 14.3 42.5 15.7 7.9 69 69 A R H <> S+ 0 0 44 -3,-2.2 4,-2.2 2,-0.2 -1,-0.2 0.933 83.2 48.7 -62.4 -47.5 46.3 15.6 7.9 70 70 A P H > S+ 0 0 16 0, 0.0 4,-1.4 0, 0.0 -1,-0.2 0.941 110.7 52.0 -59.0 -38.5 46.4 12.3 9.9 71 71 A H H > S+ 0 0 68 -4,-0.3 4,-2.2 1,-0.2 6,-0.4 0.887 107.6 52.0 -64.2 -36.9 43.9 11.0 7.4 72 72 A E H X S+ 0 0 36 -4,-2.4 4,-2.6 1,-0.2 -1,-0.2 0.884 104.6 56.7 -65.1 -40.3 46.1 12.0 4.5 73 73 A A H < S+ 0 0 65 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.837 114.4 39.4 -58.9 -34.8 49.0 10.2 6.1 74 74 A L H < S+ 0 0 152 -4,-1.4 -2,-0.2 -3,-0.2 -1,-0.2 0.821 133.4 17.5 -82.4 -33.8 46.9 7.0 6.1 75 75 A T H < S- 0 0 73 -4,-2.2 -3,-0.2 2,-0.2 -2,-0.2 0.620 87.1-121.6-117.0 -21.1 45.2 7.3 2.7 76 76 A G < + 0 0 63 -4,-2.6 2,-0.3 1,-0.3 -4,-0.2 0.457 62.5 144.2 83.0 3.2 47.0 9.8 0.4 77 77 A V - 0 0 68 -6,-0.4 -1,-0.3 1,-0.1 -2,-0.2 -0.602 63.6-100.9 -77.0 129.7 43.7 11.8 0.2 78 78 A D > - 0 0 52 -2,-0.3 4,-2.2 1,-0.2 5,-0.2 -0.304 26.5-148.5 -56.9 122.4 44.5 15.5 -0.0 79 79 A H H > S+ 0 0 2 1,-0.2 4,-2.6 2,-0.2 -11,-0.3 0.754 93.7 58.4 -67.1 -28.1 43.9 17.0 3.4 80 80 A A H > S+ 0 0 2 2,-0.2 4,-2.0 3,-0.2 -1,-0.2 0.938 111.2 42.0 -67.8 -43.9 42.9 20.4 2.1 81 81 A E H > S+ 0 0 55 2,-0.2 4,-2.1 -3,-0.2 -2,-0.2 0.915 120.0 42.1 -66.7 -47.9 40.0 18.8 0.1 82 82 A S H X S+ 0 0 16 -4,-2.2 4,-2.7 2,-0.2 -2,-0.2 0.892 113.2 53.5 -69.2 -39.0 38.9 16.5 2.8 83 83 A G H X S+ 0 0 0 -4,-2.6 4,-2.5 -5,-0.2 -2,-0.2 0.909 109.8 48.7 -61.8 -39.8 39.3 19.1 5.5 84 84 A A H X S+ 0 0 0 -4,-2.0 4,-1.9 -5,-0.2 -2,-0.2 0.926 112.5 47.2 -64.5 -43.4 37.0 21.5 3.5 85 85 A E H X S+ 0 0 143 -4,-2.1 4,-1.0 1,-0.2 -2,-0.2 0.910 111.9 51.5 -63.8 -40.5 34.4 18.7 3.1 86 86 A Y H >X S+ 0 0 68 -4,-2.7 4,-2.9 1,-0.2 3,-0.9 0.932 108.5 50.3 -62.2 -49.1 34.7 17.9 6.8 87 87 A A H 3X S+ 0 0 0 -4,-2.5 4,-2.0 1,-0.2 -1,-0.2 0.902 106.9 55.7 -58.0 -39.0 34.1 21.6 7.8 88 88 A S H 3< S+ 0 0 53 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.2 0.730 114.0 40.4 -65.0 -25.3 31.1 21.8 5.5 89 89 A G H < S+ 0 0 22 -4,-2.9 3,-1.0 1,-0.2 4,-0.4 0.937 106.3 58.3 -71.7 -52.0 30.5 19.7 10.9 91 91 A L G ><>S+ 0 0 0 -4,-2.0 5,-1.7 1,-0.3 3,-1.6 0.825 97.6 57.0 -59.3 -39.7 29.9 23.4 11.1 92 92 A P G >45S+ 0 0 67 0, 0.0 3,-1.5 0, 0.0 -1,-0.3 0.854 101.3 60.5 -59.7 -30.7 26.2 23.5 10.1 93 93 A T G <<5S+ 0 0 112 -3,-1.0 -2,-0.2 -4,-0.6 -3,-0.1 0.593 101.6 54.1 -69.7 -13.3 25.5 21.2 13.1 94 94 A X G < 5S- 0 0 25 -3,-1.6 -1,-0.3 -4,-0.4 -3,-0.1 0.145 125.1-101.2-103.8 12.8 26.9 23.9 15.4 95 95 A G T < 5S+ 0 0 68 -3,-1.5 2,-0.2 1,-0.3 -2,-0.1 0.508 70.2 148.4 81.8 6.2 24.5 26.5 14.1 96 96 A F < - 0 0 23 -5,-1.7 -1,-0.3 1,-0.1 -2,-0.1 -0.566 47.0-115.7 -74.6 143.1 26.9 28.4 11.7 97 97 A D > - 0 0 106 -2,-0.2 4,-2.8 1,-0.1 5,-0.2 -0.174 23.9-100.6 -80.2 167.6 25.2 29.9 8.7 98 98 A I H > S+ 0 0 148 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.868 120.1 46.3 -54.6 -47.1 25.6 29.0 5.1 99 99 A S H > S+ 0 0 90 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.907 113.2 49.8 -68.2 -38.2 27.8 31.9 4.1 100 100 A F H > S+ 0 0 16 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.942 113.3 45.6 -62.3 -53.2 30.0 31.4 7.2 101 101 A V H X S+ 0 0 10 -4,-2.8 4,-2.8 1,-0.2 -1,-0.2 0.909 111.6 52.4 -58.8 -41.7 30.5 27.7 6.6 102 102 A A H X S+ 0 0 57 -4,-2.5 4,-2.5 -5,-0.2 5,-0.2 0.907 110.8 47.9 -63.4 -39.9 31.2 28.2 2.8 103 103 A E H X S+ 0 0 49 -4,-2.0 4,-2.1 2,-0.2 -1,-0.2 0.921 114.1 44.8 -68.2 -47.5 33.9 30.8 3.6 104 104 A V H X S+ 0 0 0 -4,-2.4 4,-2.0 2,-0.2 -2,-0.2 0.927 114.7 49.2 -59.9 -46.4 35.6 28.7 6.2 105 105 A S H X S+ 0 0 5 -4,-2.8 4,-2.5 -5,-0.2 -2,-0.2 0.929 111.5 48.2 -60.5 -44.1 35.4 25.6 4.0 106 106 A K H X S+ 0 0 61 -4,-2.5 4,-2.0 1,-0.2 -1,-0.2 0.870 108.9 55.7 -65.6 -39.2 36.8 27.4 0.9 107 107 A A H X S+ 0 0 1 -4,-2.1 4,-0.6 -5,-0.2 -1,-0.2 0.931 110.6 43.3 -60.4 -42.9 39.6 28.8 3.0 108 108 A I H >< S+ 0 0 0 -4,-2.0 3,-1.0 1,-0.2 4,-0.3 0.919 111.1 55.3 -67.7 -41.5 40.7 25.3 4.1 109 109 A R H 3< S+ 0 0 132 -4,-2.5 3,-0.3 1,-0.2 -1,-0.2 0.844 113.8 41.3 -59.5 -33.1 40.3 24.1 0.6 110 110 A S H 3< S+ 0 0 33 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.447 84.2 102.6 -93.4 -4.4 42.7 26.7 -0.7 111 111 A H << 0 0 4 -3,-1.0 -1,-0.2 -4,-0.6 -2,-0.1 0.672 360.0 360.0 -65.7 -21.7 45.3 26.7 2.0 112 112 A R 0 0 144 -3,-0.3 12,-0.1 -4,-0.3 0, 0.0 -0.473 360.0 360.0 -77.3 360.0 48.1 24.7 0.3 113 ! 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 0.0 114 118 A T 0 0 138 0, 0.0 -3,-0.1 0, 0.0 2,-0.1 0.000 360.0 360.0 360.0 161.7 45.6 31.2 -4.4 115 119 A P - 0 0 3 0, 0.0 -8,-0.1 0, 0.0 -9,-0.0 -0.432 360.0-163.0 -63.3 152.1 42.9 31.8 -1.6 116 120 A T + 0 0 102 -2,-0.1 2,-0.2 -10,-0.1 -9,-0.1 0.564 61.6 69.0-116.2 -15.8 40.2 34.3 -2.6 117 121 A S S > S- 0 0 21 -14,-0.1 4,-2.3 1,-0.1 5,-0.2 -0.626 83.9-116.6-103.7 164.7 38.6 35.3 0.7 118 122 A L H > S+ 0 0 109 -2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.921 118.4 52.8 -61.9 -43.1 40.0 37.3 3.6 119 123 A T H > S+ 0 0 4 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.934 109.8 48.7 -60.9 -40.7 39.7 34.1 5.8 120 124 A G H > S+ 0 0 0 2,-0.2 4,-2.4 1,-0.2 -2,-0.2 0.887 111.8 48.1 -68.6 -35.8 41.7 32.1 3.2 121 125 A K H X S+ 0 0 63 -4,-2.3 4,-2.5 2,-0.2 28,-0.3 0.914 113.7 46.7 -67.1 -47.1 44.4 34.8 3.0 122 126 A I H X S+ 0 0 4 -4,-2.6 4,-2.9 2,-0.2 -2,-0.2 0.931 112.7 51.1 -60.8 -42.5 44.7 35.1 6.8 123 127 A L H X S+ 0 0 1 -4,-2.6 4,-2.4 -5,-0.2 -2,-0.2 0.924 110.3 47.8 -62.3 -49.4 44.7 31.3 7.1 124 128 A Q H X S+ 0 0 26 -4,-2.4 4,-2.8 1,-0.2 5,-0.2 0.934 113.8 47.5 -60.6 -41.6 47.5 30.9 4.5 125 129 A D H X S+ 0 0 0 -4,-2.5 4,-2.3 1,-0.2 -2,-0.2 0.920 112.4 49.1 -60.9 -48.5 49.5 33.6 6.2 126 130 A A H < S+ 0 0 0 -4,-2.9 4,-0.5 2,-0.2 -1,-0.2 0.864 113.6 47.1 -58.9 -39.5 49.0 32.1 9.6 127 131 A D H >< S+ 0 0 32 -4,-2.4 3,-1.4 -5,-0.2 -2,-0.2 0.956 113.8 46.3 -68.3 -50.1 50.0 28.6 8.4 128 132 A R H >< S+ 0 0 97 -4,-2.8 3,-1.9 1,-0.3 4,-0.2 0.828 99.9 67.3 -71.1 -26.0 53.1 29.8 6.5 129 133 A L G >< S+ 0 0 0 -4,-2.3 3,-1.6 1,-0.3 -1,-0.3 0.762 87.0 72.3 -62.4 -23.1 54.3 31.9 9.4 130 134 A D G < S+ 0 0 10 -3,-1.4 -1,-0.3 -4,-0.5 -2,-0.2 0.621 81.7 70.4 -69.4 -13.6 54.9 28.7 11.4 131 135 A A G < S+ 0 0 73 -3,-1.9 2,-0.3 -4,-0.2 -1,-0.3 0.573 101.6 50.6 -75.6 -11.3 57.9 27.9 9.2 132 136 A I S < S+ 0 0 39 -3,-1.6 2,-0.2 -4,-0.2 3,-0.2 -0.918 79.2 48.1-131.1 156.0 59.9 30.7 10.8 133 137 A G S > S- 0 0 4 -2,-0.3 4,-2.0 27,-0.3 5,-0.1 -0.675 95.2 -43.1 117.6-172.0 60.8 31.9 14.3 134 138 A A H > S+ 0 0 62 -2,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.889 132.3 48.9 -65.4 -43.3 62.1 30.5 17.6 135 139 A V H > S+ 0 0 74 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.925 110.2 52.3 -66.3 -41.0 59.9 27.4 17.6 136 140 A A H > S+ 0 0 10 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.902 109.6 49.6 -57.9 -44.4 60.9 26.6 14.0 137 141 A I H X S+ 0 0 22 -4,-2.0 4,-1.8 1,-0.2 -2,-0.2 0.935 110.1 50.5 -57.9 -50.8 64.6 27.0 15.0 138 142 A A H X S+ 0 0 54 -4,-2.5 4,-2.4 1,-0.2 -2,-0.2 0.904 108.7 53.3 -56.3 -40.2 64.1 24.6 18.0 139 143 A R H X S+ 0 0 68 -4,-2.5 4,-2.3 2,-0.2 -1,-0.2 0.883 104.0 54.7 -63.6 -40.0 62.4 22.1 15.6 140 144 A V H < S+ 0 0 100 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.948 112.8 42.7 -59.0 -46.1 65.3 22.0 13.3 141 145 A F H < S+ 0 0 122 -4,-1.8 -2,-0.2 1,-0.2 -1,-0.2 0.846 111.0 54.7 -71.0 -33.2 67.7 21.2 16.1 142 146 A S H < 0 0 108 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.906 360.0 360.0 -66.2 -40.8 65.3 18.6 17.7 143 147 A Y < 0 0 115 -4,-2.3 0, 0.0 -5,-0.2 0, 0.0 -0.500 360.0 360.0 -67.9 360.0 65.0 16.7 14.4 144 ! 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 0.0 145 186 A P > 0 0 41 0, 0.0 3,-1.0 0, 0.0 12,-0.2 0.000 360.0 360.0 360.0 -36.0 58.2 38.3 4.3 146 187 A E T 3 + 0 0 152 1,-0.2 8,-0.1 11,-0.1 0, 0.0 0.541 360.0 72.9 -76.2 -7.8 56.9 40.0 1.1 147 188 A T T 3 S+ 0 0 81 7,-0.1 -1,-0.2 -22,-0.0 2,-0.2 0.522 77.5 101.5 -81.6 -5.0 55.1 36.7 0.1 148 189 A F < - 0 0 11 -3,-1.0 -26,-0.1 1,-0.1 6,-0.1 -0.518 67.3-141.6 -86.3 148.8 52.4 37.2 2.8 149 190 A W S S+ 0 0 88 -28,-0.3 2,-0.3 -2,-0.2 -1,-0.1 0.872 79.6 55.6 -72.9 -46.6 48.9 38.5 2.0 150 191 A T S > S- 0 0 15 -29,-0.2 4,-2.4 1,-0.1 5,-0.2 -0.690 75.1-132.1 -95.5 149.0 48.3 40.7 5.0 151 192 A E H > S+ 0 0 98 -2,-0.3 4,-2.4 1,-0.2 5,-0.2 0.888 109.5 54.6 -62.1 -38.8 50.4 43.6 6.3 152 193 A T H > S+ 0 0 9 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.940 110.0 45.7 -61.8 -45.3 50.2 42.2 9.8 153 194 A A H > S+ 0 0 0 2,-0.2 4,-2.7 1,-0.2 -2,-0.2 0.892 110.5 54.8 -64.9 -39.0 51.6 38.8 8.6 154 195 A R H X S+ 0 0 85 -4,-2.4 4,-2.6 2,-0.2 -2,-0.2 0.917 110.0 46.2 -59.7 -41.9 54.3 40.6 6.6 155 196 A K H X S+ 0 0 115 -4,-2.4 4,-2.2 2,-0.2 -1,-0.2 0.892 113.8 48.1 -66.7 -42.2 55.4 42.5 9.7 156 197 A X H X S+ 0 0 38 -4,-2.3 4,-2.7 2,-0.2 -2,-0.2 0.876 112.5 49.6 -64.2 -38.9 55.4 39.3 11.8 157 198 A A H X S+ 0 0 0 -4,-2.7 4,-3.0 2,-0.2 5,-0.2 0.908 110.5 49.9 -66.4 -43.6 57.3 37.5 9.0 158 199 A E H X S+ 0 0 61 -4,-2.6 4,-2.3 2,-0.2 -2,-0.2 0.918 113.2 46.8 -60.4 -44.2 59.9 40.3 8.9 159 200 A D H X S+ 0 0 117 -4,-2.2 4,-1.5 2,-0.2 -2,-0.2 0.944 115.7 43.5 -64.1 -51.2 60.3 40.2 12.6 160 201 A R H X S+ 0 0 59 -4,-2.7 4,-2.3 1,-0.2 -27,-0.3 0.906 114.1 51.1 -62.2 -42.0 60.6 36.4 12.8 161 202 A Y H X S+ 0 0 127 -4,-3.0 4,-2.6 1,-0.2 -2,-0.2 0.895 108.5 51.1 -63.2 -42.7 63.0 36.3 9.8 162 203 A S H X S+ 0 0 68 -4,-2.3 4,-1.9 -5,-0.2 -1,-0.2 0.792 110.4 50.6 -65.9 -29.5 65.3 39.0 11.3 163 204 A F H X S+ 0 0 100 -4,-1.5 4,-2.5 2,-0.2 -2,-0.2 0.907 109.9 49.6 -70.9 -43.0 65.4 36.9 14.5 164 205 A V H X S+ 0 0 36 -4,-2.3 4,-2.3 2,-0.2 -2,-0.2 0.912 110.5 50.5 -60.9 -42.7 66.3 33.8 12.5 165 206 A V H X S+ 0 0 50 -4,-2.6 4,-2.8 1,-0.2 -1,-0.2 0.939 110.5 48.8 -62.0 -48.5 69.1 35.7 10.7 166 207 A E H X S+ 0 0 81 -4,-1.9 4,-2.7 1,-0.2 -1,-0.2 0.895 109.0 53.9 -57.3 -41.9 70.5 36.9 14.0 167 208 A F H X S+ 0 0 74 -4,-2.5 4,-2.6 2,-0.2 -1,-0.2 0.933 111.6 44.8 -57.1 -48.0 70.4 33.4 15.4 168 209 A V H X S+ 0 0 73 -4,-2.3 4,-2.7 2,-0.2 5,-0.2 0.909 112.5 50.6 -64.2 -44.6 72.4 32.1 12.4 169 210 A Q H X S+ 0 0 122 -4,-2.8 4,-2.5 1,-0.2 -1,-0.2 0.924 113.7 45.1 -59.6 -46.1 74.9 34.9 12.5 170 211 A R H X S+ 0 0 140 -4,-2.7 4,-2.8 2,-0.2 5,-0.2 0.892 110.8 53.6 -64.5 -44.2 75.4 34.3 16.2 171 212 A F H X S+ 0 0 78 -4,-2.6 4,-2.3 -5,-0.2 -2,-0.2 0.946 113.5 43.1 -54.3 -51.3 75.7 30.6 15.8 172 213 A L H X S+ 0 0 112 -4,-2.7 4,-1.3 1,-0.2 -2,-0.2 0.892 113.8 50.0 -65.0 -42.1 78.4 31.1 13.1 173 214 A A H < S+ 0 0 82 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.906 116.1 42.8 -63.0 -42.2 80.2 33.7 15.1 174 215 A E H < S+ 0 0 151 -4,-2.8 -2,-0.2 1,-0.2 -1,-0.2 0.815 107.3 59.3 -72.1 -33.4 80.3 31.5 18.2 175 216 A W H < 0 0 200 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.825 360.0 360.0 -67.7 -29.7 81.2 28.3 16.4 176 217 A G < 0 0 97 -4,-1.3 -2,-0.1 -5,-0.2 -1,-0.1 0.169 360.0 360.0 90.2 360.0 84.4 30.0 15.1