==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 08-DEC-09 3KZX . COMPND 2 MOLECULE: HAD-SUPERFAMILY HYDROLASE, SUBFAMILY IA, VARIANT . SOURCE 2 ORGANISM_SCIENTIFIC: EHRLICHIA CHAFFEENSIS; . AUTHOR SEATTLE STRUCTURAL GENOMICS CENTER FOR INFECTIOUS DISEASE (S . 205 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10149.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 139 67.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 27 13.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 3 1.5 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 . 1 0.5 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 . 9 4.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 19 9.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 69 33.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 3.4 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 0 0 2 4 0 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 0 1 4 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 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 ANTIPARALLEL BRIDGES PER LADDER . 0 1 0 0 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 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 0 A S 0 0 167 0, 0.0 2,-0.6 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -18.3 26.5 21.9 22.2 2 1 A M - 0 0 145 157,-0.0 2,-0.3 202,-0.0 157,-0.1 -0.875 360.0-169.3 -91.6 126.6 26.5 25.7 22.1 3 2 A K - 0 0 132 -2,-0.6 202,-0.1 1,-0.1 201,-0.1 -0.751 28.8 -92.9-114.0 160.9 28.8 26.9 19.3 4 3 A Q - 0 0 86 200,-0.4 2,-0.1 -2,-0.3 -1,-0.1 -0.378 58.2 -92.5 -65.1 150.7 30.2 30.3 18.3 5 4 A P - 0 0 2 0, 0.0 155,-0.2 0, 0.0 3,-0.1 -0.388 18.6-152.3 -72.6 142.7 28.0 32.0 15.7 6 5 A T S S- 0 0 63 153,-1.5 95,-0.6 1,-0.3 2,-0.3 0.676 86.5 -2.3 -77.8 -23.7 28.7 31.7 12.0 7 6 A A E -ab 101 160A 0 152,-1.1 154,-2.3 93,-0.1 2,-0.5 -0.966 64.0-141.6-159.4 156.9 27.1 35.1 11.5 8 7 A V E -ab 102 161A 0 93,-2.3 95,-1.9 -2,-0.3 2,-0.4 -0.982 14.4-164.6-127.1 122.0 25.5 37.8 13.7 9 8 A I E -ab 103 162A 0 152,-3.4 154,-2.8 -2,-0.5 2,-0.4 -0.869 9.1-164.0-104.2 137.7 22.5 39.8 12.3 10 9 A F E -ab 104 163A 0 93,-2.5 95,-2.1 -2,-0.4 2,-0.2 -0.938 15.8-137.3-119.9 143.0 21.4 43.1 14.1 11 10 A D > - 0 0 5 152,-1.7 5,-1.5 -2,-0.4 95,-0.2 -0.565 18.2-145.3 -82.8 163.7 18.3 45.1 13.9 12 11 A W T > >S+ 0 0 4 -2,-0.2 5,-2.7 3,-0.2 3,-1.7 0.876 73.0 56.6 -96.0 -77.0 18.9 48.9 13.8 13 12 A Y B 3 5S+f 17 0B 1 1,-0.3 152,-0.2 3,-0.2 5,-0.1 -0.358 124.4 1.3 -67.5 130.2 16.3 50.9 15.7 14 13 A N T 3 5S+ 0 0 45 3,-2.2 -1,-0.3 1,-0.2 4,-0.1 0.483 133.3 56.8 69.7 7.7 16.0 50.0 19.4 15 14 A T T < 5S+ 0 0 0 -3,-1.7 70,-0.3 2,-0.2 -1,-0.2 0.393 126.3 6.0-121.3 -88.3 18.8 47.4 19.1 16 15 A L T - G 0 83B 36 65,-2.3 3,-0.7 -2,-0.4 65,-0.6 -0.842 13.9-170.5 -90.5 111.1 18.9 54.2 20.9 19 18 A T T 3 S+ 0 0 9 -2,-0.7 -1,-0.1 1,-0.2 65,-0.1 0.424 76.8 68.1 -86.1 3.5 15.9 56.2 19.5 20 19 A S T 3 S+ 0 0 47 63,-0.1 2,-0.6 3,-0.1 3,-0.4 0.462 83.2 78.2 -99.3 -3.8 15.3 58.0 22.8 21 20 A I S < S+ 0 0 86 -3,-0.7 62,-0.5 1,-0.2 60,-0.1 -0.944 108.1 7.5-113.1 122.2 18.5 60.1 22.8 22 21 A N S S- 0 0 67 -2,-0.6 59,-0.4 1,-0.2 -1,-0.2 0.878 86.3-166.5 73.8 41.8 18.4 63.2 20.5 23 22 A I - 0 0 8 -3,-0.4 2,-0.7 24,-0.3 -1,-0.2 -0.365 21.9-123.4 -53.3 132.5 14.7 62.7 19.7 24 23 A D > - 0 0 66 1,-0.2 4,-1.8 2,-0.0 3,-0.3 -0.798 16.8-153.8 -83.0 116.1 13.6 64.8 16.8 25 24 A R H > S+ 0 0 46 -2,-0.7 4,-3.3 1,-0.2 5,-0.2 0.862 91.3 61.4 -59.5 -38.4 10.8 66.9 18.1 26 25 A T H > S+ 0 0 85 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.922 105.8 47.7 -55.5 -45.5 9.3 67.4 14.6 27 26 A T H > S+ 0 0 10 -3,-0.3 4,-1.7 1,-0.2 -1,-0.2 0.911 114.0 45.2 -62.3 -44.4 8.8 63.6 14.4 28 27 A F H X S+ 0 0 2 -4,-1.8 4,-2.7 1,-0.2 -2,-0.2 0.842 107.2 58.7 -73.6 -29.7 7.3 63.4 17.9 29 28 A Y H X S+ 0 0 51 -4,-3.3 4,-3.3 2,-0.2 -1,-0.2 0.931 106.1 50.2 -56.8 -46.0 5.0 66.4 17.2 30 29 A Q H X S+ 0 0 96 -4,-1.9 4,-2.9 -5,-0.2 -2,-0.2 0.905 111.0 49.0 -60.0 -42.2 3.6 64.4 14.2 31 30 A V H X S+ 0 0 0 -4,-1.7 4,-2.1 2,-0.2 -2,-0.2 0.945 113.5 44.8 -62.1 -46.4 3.0 61.4 16.5 32 31 A L H <>S+ 0 0 5 -4,-2.7 5,-2.0 2,-0.2 -2,-0.2 0.910 113.2 52.7 -66.1 -42.7 1.3 63.5 19.1 33 32 A D H ><5S+ 0 0 118 -4,-3.3 3,-2.0 1,-0.2 -2,-0.2 0.937 109.2 47.6 -49.0 -58.2 -0.7 65.2 16.3 34 33 A Q H 3<5S+ 0 0 121 -4,-2.9 -2,-0.2 1,-0.3 -1,-0.2 0.861 109.8 55.2 -52.2 -38.5 -1.8 61.8 14.9 35 34 A M T 3<5S- 0 0 10 -4,-2.1 -1,-0.3 -5,-0.2 -2,-0.2 0.424 121.5-110.9 -81.0 0.1 -2.8 60.8 18.5 36 35 A G T < 5 + 0 0 64 -3,-2.0 -3,-0.2 1,-0.3 -2,-0.1 0.247 67.2 145.5 94.0 -11.4 -5.0 64.0 18.8 37 36 A Y < - 0 0 53 -5,-2.0 2,-0.3 -6,-0.2 -1,-0.3 -0.268 25.6-169.5 -64.9 141.3 -2.9 65.9 21.2 38 37 A K + 0 0 84 1,-0.1 3,-0.1 3,-0.0 0, 0.0 -0.785 54.4 22.1-140.6 174.7 -2.6 69.7 21.1 39 38 A N + 0 0 103 -2,-0.3 2,-0.5 1,-0.1 -1,-0.1 0.089 68.4 153.8-107.2 87.8 -1.1 72.0 22.2 40 39 A I - 0 0 35 -11,-0.1 2,-0.6 -3,-0.1 -1,-0.1 -0.705 23.5-163.4 -86.5 124.5 2.1 70.3 23.4 41 40 A D + 0 0 93 -2,-0.5 3,-0.1 1,-0.1 -3,-0.0 -0.937 24.1 157.6-110.1 112.3 5.2 72.5 23.5 42 41 A L > + 0 0 0 -2,-0.6 3,-1.0 1,-0.1 -1,-0.1 0.323 51.3 97.0-104.1 -2.7 8.4 70.5 23.7 43 42 A D T 3 S+ 0 0 110 1,-0.3 -1,-0.1 -18,-0.0 -18,-0.0 0.813 87.3 41.7 -66.7 -30.5 10.6 73.3 22.3 44 43 A S T 3 S+ 0 0 99 -3,-0.1 -1,-0.3 2,-0.1 -2,-0.1 0.467 92.8 101.3 -93.3 -1.9 11.8 74.5 25.7 45 44 A I S < S- 0 0 18 -3,-1.0 5,-0.1 1,-0.1 -3,-0.0 -0.711 81.7-113.9 -88.2 123.6 12.3 71.0 27.2 46 45 A P >> - 0 0 81 0, 0.0 3,-2.0 0, 0.0 4,-1.2 -0.235 25.1-119.0 -51.7 138.9 15.9 69.9 27.3 47 46 A N T 34 S+ 0 0 61 1,-0.3 3,-0.5 2,-0.2 -24,-0.3 0.840 112.9 55.7 -47.2 -39.9 16.5 66.9 24.9 48 47 A S T 34 S+ 0 0 113 1,-0.2 4,-0.3 2,-0.2 -1,-0.3 0.672 109.5 46.8 -71.1 -20.8 17.5 64.7 27.8 49 48 A T T <> S+ 0 0 66 -3,-2.0 4,-2.6 2,-0.1 -1,-0.2 0.639 87.4 89.7 -93.6 -19.1 14.3 65.3 29.6 50 49 A I H X S+ 0 0 0 -4,-1.2 4,-2.9 -3,-0.5 5,-0.2 0.866 85.3 50.9 -48.5 -49.2 12.0 64.8 26.6 51 50 A P H > S+ 0 0 25 0, 0.0 4,-2.5 0, 0.0 -1,-0.2 0.942 113.1 42.8 -60.7 -48.2 11.5 61.0 27.2 52 51 A K H > S+ 0 0 169 -4,-0.3 4,-1.9 1,-0.2 -2,-0.2 0.904 115.1 52.0 -63.9 -38.8 10.5 61.2 30.9 53 52 A Y H X S+ 0 0 96 -4,-2.6 4,-1.8 2,-0.2 -1,-0.2 0.941 110.9 46.1 -59.8 -49.2 8.3 64.2 30.1 54 53 A L H X S+ 0 0 0 -4,-2.9 4,-3.0 1,-0.2 5,-0.3 0.888 107.7 58.3 -63.3 -37.9 6.5 62.3 27.2 55 54 A I H X S+ 0 0 74 -4,-2.5 4,-1.9 -5,-0.2 -1,-0.2 0.927 110.2 42.6 -57.7 -45.1 6.1 59.2 29.4 56 55 A T H < S+ 0 0 111 -4,-1.9 -1,-0.2 2,-0.2 -2,-0.2 0.828 115.2 50.1 -72.3 -31.8 4.2 61.2 32.0 57 56 A L H < S+ 0 0 54 -4,-1.8 -2,-0.2 -5,-0.2 -1,-0.2 0.948 116.5 40.1 -67.4 -47.0 2.1 63.1 29.3 58 57 A L H >< S+ 0 0 6 -4,-3.0 3,-2.4 1,-0.2 -2,-0.2 0.776 79.0 167.5 -78.4 -31.8 1.1 59.9 27.5 59 58 A G G >< S+ 0 0 44 -4,-1.9 3,-1.8 -5,-0.3 4,-0.2 -0.283 76.4 7.0 54.0-126.4 0.5 57.7 30.5 60 59 A K G 3 S+ 0 0 110 1,-0.3 3,-0.4 2,-0.1 4,-0.3 0.728 130.1 61.6 -53.4 -29.2 -1.4 54.5 29.2 61 60 A R G <> S+ 0 0 91 -3,-2.4 4,-2.2 1,-0.2 -1,-0.3 0.269 74.8 99.2 -83.2 10.2 -0.9 55.7 25.6 62 61 A W H <> S+ 0 0 74 -3,-1.8 4,-2.4 2,-0.2 -1,-0.2 0.944 80.5 49.4 -66.2 -49.6 3.0 55.6 25.9 63 62 A K H > S+ 0 0 60 -3,-0.4 4,-1.9 -4,-0.2 -1,-0.2 0.907 111.0 50.6 -55.3 -45.9 3.4 52.2 24.2 64 63 A E H > S+ 0 0 75 -4,-0.3 4,-2.3 1,-0.2 -1,-0.2 0.920 108.6 53.4 -58.3 -44.3 1.1 53.3 21.3 65 64 A A H X S+ 0 0 0 -4,-2.2 4,-2.7 1,-0.2 -2,-0.2 0.931 107.4 50.3 -56.3 -44.4 3.3 56.4 21.0 66 65 A T H X S+ 0 0 54 -4,-2.4 4,-2.4 1,-0.2 -1,-0.2 0.864 109.6 51.6 -67.4 -33.5 6.5 54.3 20.7 67 66 A I H X S+ 0 0 96 -4,-1.9 4,-2.2 2,-0.2 -1,-0.2 0.931 112.7 43.8 -61.9 -52.3 4.8 52.2 18.0 68 67 A L H X S+ 0 0 35 -4,-2.3 4,-2.2 2,-0.2 -2,-0.2 0.906 113.2 54.3 -59.1 -40.4 3.9 55.3 15.9 69 68 A Y H X S+ 0 0 11 -4,-2.7 4,-2.2 -5,-0.2 -2,-0.2 0.918 110.1 43.1 -63.6 -52.6 7.3 56.7 16.5 70 69 A E H X S+ 0 0 41 -4,-2.4 4,-2.2 1,-0.2 -1,-0.2 0.881 112.6 54.9 -59.2 -42.3 9.2 53.7 15.2 71 70 A N H X S+ 0 0 80 -4,-2.2 4,-1.1 -5,-0.2 -2,-0.2 0.909 110.2 46.6 -54.9 -40.6 6.8 53.4 12.3 72 71 A S H X S+ 0 0 24 -4,-2.2 4,-0.7 1,-0.2 3,-0.3 0.891 110.3 51.3 -71.9 -44.3 7.6 57.1 11.4 73 72 A L H >< S+ 0 0 1 -4,-2.2 3,-0.6 1,-0.2 -1,-0.2 0.863 106.2 56.3 -60.5 -40.8 11.3 56.8 11.7 74 73 A E H 3< S+ 0 0 35 -4,-2.2 35,-2.6 1,-0.2 -1,-0.2 0.829 114.4 38.2 -60.3 -36.4 11.3 53.7 9.4 75 74 A K H 3< S+ 0 0 169 -4,-1.1 -1,-0.2 -3,-0.3 -2,-0.2 0.479 91.5 127.9 -91.7 -2.7 9.6 55.7 6.7 76 75 A S << - 0 0 20 -4,-0.7 36,-0.1 -3,-0.6 33,-0.1 -0.176 45.1-166.8 -67.3 145.4 11.4 59.0 7.2 77 76 A Q + 0 0 160 2,-0.1 2,-0.1 35,-0.0 -1,-0.1 0.437 68.4 97.5 -94.6 -8.7 13.2 60.9 4.5 78 77 A K S S- 0 0 43 1,-0.1 2,-0.2 -5,-0.0 -2,-0.0 -0.461 81.2-109.6 -84.1 153.2 14.9 63.0 7.3 79 78 A S - 0 0 83 -2,-0.1 2,-0.2 1,-0.0 -1,-0.1 -0.570 29.4-134.8 -77.2 142.9 18.3 62.3 8.7 80 79 A D - 0 0 24 -2,-0.2 -57,-0.1 -4,-0.1 -58,-0.0 -0.605 13.0-163.4 -87.8 159.0 18.6 60.9 12.3 81 80 A N + 0 0 62 -59,-0.4 -1,-0.1 -2,-0.2 -58,-0.0 -0.029 42.9 144.7-124.3 27.5 21.0 62.2 14.9 82 81 A F - 0 0 8 1,-0.1 2,-0.3 -65,-0.0 -60,-0.1 -0.293 42.3-134.9 -74.1 154.0 20.7 59.1 17.1 83 82 A M E -G 18 0B 77 -65,-0.6 -65,-2.3 -62,-0.5 -62,-0.2 -0.695 25.1-105.5-101.3 153.7 23.5 57.6 19.2 84 83 A L E -G 17 0B 34 -2,-0.3 -67,-0.3 -67,-0.2 -68,-0.1 -0.401 42.2 -99.0 -67.5 151.1 24.3 53.9 19.4 85 84 A N > - 0 0 29 -69,-3.1 3,-1.8 -70,-0.3 4,-0.3 -0.411 56.2 -75.5 -66.1 155.9 23.3 52.0 22.5 86 85 A D T 3 S+ 0 0 113 1,-0.2 108,-0.9 2,-0.1 109,-0.2 -0.215 116.6 12.3 -55.1 135.6 26.0 51.4 25.0 87 86 A G T 3> S+ 0 0 7 107,-0.1 4,-2.0 106,-0.1 -1,-0.2 0.269 90.9 116.4 83.3 -8.5 28.5 48.7 24.1 88 87 A A H <> S+ 0 0 0 -3,-1.8 4,-2.8 1,-0.2 5,-0.2 0.929 76.7 44.3 -62.6 -53.1 27.4 48.4 20.4 89 88 A I H > S+ 0 0 74 -4,-0.3 4,-2.8 1,-0.2 5,-0.2 0.901 111.7 54.2 -59.6 -42.6 30.6 49.6 18.8 90 89 A E H > S+ 0 0 102 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.906 111.3 46.4 -57.2 -40.2 32.7 47.4 21.1 91 90 A L H X S+ 0 0 0 -4,-2.0 4,-2.8 2,-0.2 5,-0.2 0.934 112.2 48.4 -68.4 -46.9 30.6 44.4 20.1 92 91 A L H X S+ 0 0 0 -4,-2.8 4,-2.6 1,-0.2 -2,-0.2 0.938 113.7 48.3 -56.1 -44.1 30.8 45.1 16.4 93 92 A D H X S+ 0 0 63 -4,-2.8 4,-2.7 -5,-0.2 -1,-0.2 0.890 110.0 51.0 -69.3 -38.1 34.5 45.6 16.6 94 93 A T H X S+ 0 0 12 -4,-2.2 4,-1.5 -5,-0.2 -1,-0.2 0.927 111.8 48.1 -60.2 -45.9 35.0 42.3 18.6 95 94 A L H <>S+ 0 0 0 -4,-2.8 5,-2.7 1,-0.2 -2,-0.2 0.937 112.8 48.2 -62.6 -42.0 33.0 40.4 16.0 96 95 A K H ><5S+ 0 0 44 -4,-2.6 3,-1.6 1,-0.2 -2,-0.2 0.930 110.1 51.2 -64.1 -47.2 35.0 42.0 13.1 97 96 A E H 3<5S+ 0 0 153 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.798 111.1 48.9 -61.4 -27.8 38.3 41.3 14.8 98 97 A N T 3<5S- 0 0 64 -4,-1.5 -1,-0.3 -3,-0.2 -2,-0.2 0.356 116.1-117.1 -91.6 0.8 37.3 37.6 15.3 99 98 A N T < 5 + 0 0 147 -3,-1.6 2,-0.6 1,-0.2 -3,-0.2 0.862 60.4 152.8 67.4 38.0 36.2 37.5 11.6 100 99 A I < - 0 0 10 -5,-2.7 -1,-0.2 -6,-0.1 -93,-0.1 -0.904 45.0-124.6-101.6 118.5 32.5 36.8 12.4 101 100 A T E -a 7 0A 33 -2,-0.6 -93,-2.3 -95,-0.6 2,-0.3 -0.343 29.5-161.8 -68.1 142.9 30.4 38.1 9.5 102 101 A M E +a 8 0A 3 23,-0.4 25,-3.0 -95,-0.2 26,-0.6 -0.913 12.7 178.2-127.7 153.7 27.7 40.6 10.3 103 102 A A E -ac 9 128A 0 -95,-1.9 -93,-2.5 -2,-0.3 2,-0.4 -0.947 21.6-131.8-143.9 162.2 24.6 42.0 8.7 104 103 A I E -ac 10 129A 0 24,-2.0 26,-2.8 -2,-0.3 2,-0.4 -0.976 16.1-175.5-113.6 134.6 21.7 44.4 9.4 105 104 A V E + c 0 130A 0 -95,-2.1 2,-0.3 -2,-0.4 26,-0.2 -0.952 22.2 153.9-129.1 114.8 18.1 43.5 8.9 106 105 A S E - 0 0 2 24,-2.5 4,-0.1 -2,-0.4 7,-0.1 -0.930 50.8-133.9-139.2 150.8 15.6 46.3 9.5 107 106 A N E S+ 0 0 19 -2,-0.3 2,-0.1 24,-0.2 24,-0.1 0.429 75.6 111.3 -86.6 -0.8 12.2 47.5 8.4 108 107 A K E S- 0 0 0 22,-0.2 24,-1.9 1,-0.1 -2,-0.2 -0.447 92.2 -81.2 -62.9 144.7 13.6 51.0 7.9 109 108 A N E > - c 0 132A 57 -35,-2.6 4,-3.0 22,-0.2 5,-0.2 -0.254 43.0-130.3 -47.5 128.0 13.7 52.1 4.2 110 109 A G H > S+ 0 0 1 22,-2.6 4,-2.6 1,-0.2 5,-0.2 0.850 101.4 49.1 -55.7 -43.2 16.8 50.4 2.8 111 110 A E H > S+ 0 0 133 21,-0.3 4,-1.7 2,-0.2 -1,-0.2 0.940 116.3 40.9 -66.9 -44.2 18.3 53.5 1.2 112 111 A R H > S+ 0 0 53 2,-0.2 4,-2.6 1,-0.2 -2,-0.2 0.883 113.1 56.6 -71.9 -37.5 17.9 55.8 4.2 113 112 A L H X S+ 0 0 0 -4,-3.0 4,-2.2 1,-0.2 -2,-0.2 0.947 108.6 46.1 -53.8 -50.1 19.1 52.9 6.5 114 113 A R H X S+ 0 0 65 -4,-2.6 4,-2.1 1,-0.2 -1,-0.2 0.851 111.2 52.7 -64.0 -34.7 22.3 52.6 4.5 115 114 A S H X S+ 0 0 52 -4,-1.7 4,-2.6 2,-0.2 -1,-0.2 0.912 110.3 47.4 -66.4 -42.4 22.8 56.3 4.5 116 115 A E H X S+ 0 0 10 -4,-2.6 4,-1.3 2,-0.2 -2,-0.2 0.864 111.7 50.4 -65.4 -38.3 22.4 56.4 8.3 117 116 A I H <>S+ 0 0 0 -4,-2.2 5,-2.3 2,-0.2 6,-0.4 0.910 113.6 45.1 -66.9 -41.2 24.8 53.5 8.8 118 117 A H H ><5S+ 0 0 122 -4,-2.1 3,-1.9 1,-0.2 -2,-0.2 0.862 106.0 60.3 -70.4 -36.7 27.4 55.2 6.5 119 118 A H H 3<5S+ 0 0 68 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.853 107.2 47.4 -57.4 -33.8 26.9 58.6 8.3 120 119 A K T 3<5S- 0 0 65 -4,-1.3 -1,-0.3 -5,-0.1 -2,-0.2 0.321 115.9-118.1 -89.2 11.0 28.0 56.8 11.5 121 120 A N T < 5S+ 0 0 122 -3,-1.9 -3,-0.2 1,-0.1 -2,-0.1 0.870 81.3 120.1 55.2 41.3 31.0 55.3 9.7 122 121 A L > < + 0 0 2 -5,-2.3 3,-1.5 1,-0.1 4,-0.4 0.418 33.5 99.7-113.7 -1.3 29.7 51.7 10.4 123 122 A T G > S+ 0 0 53 -6,-0.4 3,-1.8 1,-0.3 -5,-0.1 0.873 75.5 63.2 -54.1 -41.4 29.3 50.4 6.8 124 123 A H G 3 S+ 0 0 132 1,-0.3 -1,-0.3 -6,-0.1 -2,-0.1 0.710 95.3 61.1 -60.6 -23.4 32.6 48.5 6.9 125 124 A Y G < S+ 0 0 19 -3,-1.5 2,-0.5 1,-0.1 -23,-0.4 0.740 96.1 69.6 -70.3 -25.8 31.3 46.3 9.7 126 125 A F < - 0 0 14 -3,-1.8 -23,-0.2 -4,-0.4 3,-0.1 -0.862 51.5-169.7-114.1 126.1 28.4 44.8 7.7 127 126 A D S S+ 0 0 102 -25,-3.0 2,-0.3 -2,-0.5 -24,-0.2 0.587 85.4 18.5 -86.5 -8.5 28.6 42.4 4.8 128 127 A S E -c 103 0A 10 -26,-0.6 -24,-2.0 24,-0.1 2,-0.5 -0.933 60.5-167.4-156.3 137.3 24.9 42.9 4.0 129 128 A I E -c 104 0A 22 -2,-0.3 2,-0.4 -26,-0.2 -24,-0.2 -0.961 12.9-175.8-130.4 113.2 22.4 45.6 4.9 130 129 A I E +c 105 0A 9 -26,-2.8 -24,-2.5 -2,-0.5 2,-0.2 -0.931 10.1 161.3-112.8 124.4 18.7 44.8 4.2 131 130 A G E > - 0 0 3 -2,-0.4 3,-1.6 -26,-0.2 4,-0.4 -0.702 51.7 -60.5-123.4-177.4 15.9 47.3 4.8 132 131 A S E 3 S+c 109 0A 28 -24,-1.9 -22,-2.6 1,-0.2 -21,-0.3 -0.388 122.9 35.0 -65.6 148.1 12.3 47.6 3.6 133 132 A G T 3 S+ 0 0 71 2,-0.3 -1,-0.2 4,-0.2 -24,-0.1 0.279 96.6 89.7 87.3 -9.4 12.1 47.9 -0.2 134 133 A D S < S+ 0 0 64 -3,-1.6 2,-0.2 3,-0.2 -2,-0.2 0.721 96.6 20.3 -89.1 -23.3 15.0 45.6 -0.6 135 134 A T S S- 0 0 30 -4,-0.4 -2,-0.3 2,-0.3 8,-0.0 -0.702 90.7 -98.1-126.8-178.3 12.9 42.5 -0.7 136 135 A G S S+ 0 0 66 -2,-0.2 2,-0.2 -4,-0.1 -4,-0.0 0.539 102.4 27.7 -77.0 -7.6 9.3 41.7 -1.4 137 136 A T - 0 0 60 4,-0.0 -2,-0.3 3,-0.0 2,-0.3 -0.830 68.5-133.8-142.2 178.4 8.3 41.6 2.3 138 137 A I > - 0 0 88 -2,-0.2 3,-2.1 -6,-0.1 5,-0.2 -0.870 47.9 -41.2-129.9 166.5 9.3 43.0 5.7 139 138 A K T 3 S+ 0 0 7 1,-0.3 30,-0.1 -2,-0.3 29,-0.1 -0.395 116.4 48.2 -60.4 142.8 9.8 41.4 9.2 140 139 A P T 3 S+ 0 0 61 0, 0.0 -1,-0.3 0, 0.0 35,-0.2 -0.973 100.1 89.4 -84.2 7.1 8.2 39.3 10.7 141 140 A S S < S- 0 0 30 -3,-2.1 4,-0.3 1,-0.1 31,-0.1 -0.387 77.8-135.7 -57.3 144.8 8.6 37.5 7.3 142 141 A P S >> S+ 0 0 24 0, 0.0 4,-2.4 0, 0.0 3,-0.9 0.677 86.3 91.6 -72.0 -18.6 11.8 35.5 7.2 143 142 A E H 3> S+ 0 0 76 1,-0.3 4,-2.2 2,-0.2 5,-0.1 0.824 82.0 50.3 -51.3 -45.0 12.5 36.7 3.7 144 143 A P H 3> S+ 0 0 3 0, 0.0 4,-1.8 0, 0.0 -1,-0.3 0.857 113.2 47.5 -63.9 -33.5 14.7 39.8 4.7 145 144 A V H <> S+ 0 0 0 -3,-0.9 4,-2.1 -4,-0.3 -2,-0.2 0.910 112.1 48.7 -68.2 -46.7 16.8 37.5 7.0 146 145 A L H X S+ 0 0 66 -4,-2.4 4,-2.4 1,-0.2 -1,-0.2 0.833 108.5 56.0 -64.1 -32.1 17.2 35.0 4.3 147 146 A A H X S+ 0 0 21 -4,-2.2 4,-2.2 -5,-0.3 -1,-0.2 0.924 106.8 48.0 -64.7 -47.4 18.2 37.8 1.9 148 147 A A H X S+ 0 0 0 -4,-1.8 4,-2.1 2,-0.2 -2,-0.2 0.911 112.8 49.5 -57.3 -43.3 21.0 39.0 4.2 149 148 A L H X>S+ 0 0 2 -4,-2.1 5,-2.0 1,-0.2 4,-0.6 0.892 109.1 51.4 -69.1 -37.4 22.3 35.4 4.5 150 149 A T H ><5S+ 0 0 108 -4,-2.4 3,-0.8 3,-0.2 -1,-0.2 0.938 112.5 47.4 -57.6 -45.1 22.2 34.8 0.8 151 150 A N H 3<5S+ 0 0 100 -4,-2.2 -2,-0.2 1,-0.3 -1,-0.2 0.784 115.6 42.7 -75.1 -27.3 24.2 38.0 0.3 152 151 A I H 3<5S- 0 0 18 -4,-2.1 -1,-0.3 2,-0.2 -2,-0.2 0.390 109.5-124.2 -93.0 0.6 26.8 37.2 3.0 153 152 A N T <<5 + 0 0 149 -3,-0.8 2,-0.4 -4,-0.6 -3,-0.2 0.892 64.5 132.7 58.0 47.4 27.0 33.5 1.8 154 153 A I < - 0 0 44 -5,-2.0 -1,-0.2 -6,-0.1 -2,-0.2 -0.994 55.6-123.0-127.0 133.2 26.1 31.8 5.1 155 154 A E - 0 0 77 -2,-0.4 2,-0.2 1,-0.1 -149,-0.1 -0.480 34.4-103.1 -72.6 144.3 23.5 29.0 5.4 156 155 A P + 0 0 64 0, 0.0 2,-0.3 0, 0.0 22,-0.1 -0.480 63.8 133.3 -63.5 135.0 20.6 29.6 7.9 157 156 A S S > S- 0 0 33 -2,-0.2 3,-1.9 3,-0.1 22,-0.6 -0.963 72.7 -84.9-166.8 176.2 21.1 27.7 11.1 158 157 A K T 3 S+ 0 0 97 -2,-0.3 20,-0.1 1,-0.3 19,-0.0 0.506 120.8 68.4 -74.4 -2.0 21.0 28.0 14.8 159 158 A E T 3 S+ 0 0 52 -154,-0.1 -153,-1.5 2,-0.1 -152,-1.1 0.491 79.7 88.1 -90.2 -5.9 24.6 29.3 14.7 160 159 A V E < S-b 7 0A 0 -3,-1.9 19,-2.9 -155,-0.2 2,-0.5 -0.852 73.0-154.6 -86.0 115.6 23.2 32.5 13.0 161 160 A F E -bd 8 179A 7 -154,-2.3 -152,-3.4 -2,-0.7 2,-0.7 -0.844 8.2-162.2 -94.6 125.2 22.3 34.8 15.8 162 161 A F E -bd 9 180A 2 17,-3.1 19,-2.5 -2,-0.5 2,-0.6 -0.906 8.2-161.1-108.0 102.3 19.7 37.5 15.1 163 162 A I E +bd 10 181A 0 -154,-2.8 -152,-1.7 -2,-0.7 2,-0.3 -0.742 30.4 143.9 -85.0 115.7 20.0 40.2 17.8 164 163 A G E - d 0 182A 1 17,-2.2 19,-2.2 -2,-0.6 -150,-0.1 -0.994 49.2-143.3-155.0 155.3 16.8 42.1 18.0 165 164 A D S S+ 0 0 38 -2,-0.3 2,-0.2 -152,-0.2 -1,-0.1 0.718 74.3 74.5 -93.0 -23.7 14.5 43.9 20.4 166 165 A S S > S- 0 0 24 1,-0.1 4,-2.1 16,-0.0 5,-0.1 -0.509 77.6-123.2-102.7 158.6 11.1 43.1 18.8 167 166 A I H > S+ 0 0 129 1,-0.2 4,-3.1 2,-0.2 5,-0.2 0.892 115.3 56.8 -57.6 -42.1 8.7 40.2 18.5 168 167 A S H > S+ 0 0 39 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.876 106.2 50.5 -60.6 -35.6 8.9 40.7 14.7 169 168 A D H > S+ 0 0 2 2,-0.2 4,-2.4 1,-0.2 -2,-0.2 0.941 112.6 46.2 -64.1 -46.5 12.7 40.2 14.9 170 169 A I H X S+ 0 0 19 -4,-2.1 4,-2.4 2,-0.2 -2,-0.2 0.928 114.6 46.6 -60.5 -48.0 12.3 37.0 17.0 171 170 A Q H X S+ 0 0 84 -4,-3.1 4,-3.0 2,-0.2 5,-0.3 0.915 111.5 51.1 -64.0 -43.4 9.6 35.6 14.7 172 171 A S H X S+ 0 0 0 -4,-2.4 4,-1.9 -5,-0.2 -1,-0.2 0.940 111.2 49.5 -59.0 -44.9 11.6 36.4 11.6 173 172 A A H <>S+ 0 0 0 -4,-2.4 5,-2.8 -5,-0.2 4,-0.4 0.947 113.5 44.7 -58.8 -51.0 14.6 34.7 13.1 174 173 A I H ><5S+ 0 0 81 -4,-2.4 3,-1.5 1,-0.2 -2,-0.2 0.922 112.9 50.2 -60.8 -45.5 12.6 31.6 14.0 175 174 A E H 3<5S+ 0 0 103 -4,-3.0 -1,-0.2 1,-0.3 -2,-0.2 0.784 110.7 52.4 -65.3 -28.7 10.8 31.4 10.6 176 175 A A T 3<5S- 0 0 8 -4,-1.9 -1,-0.3 -5,-0.3 -2,-0.2 0.485 118.1-111.9 -84.1 -6.0 14.2 31.7 8.9 177 176 A G T < 5S+ 0 0 31 -3,-1.5 -3,-0.2 -4,-0.4 -17,-0.2 0.677 77.6 123.3 83.8 19.3 15.7 28.8 10.9 178 177 A C < - 0 0 0 -5,-2.8 -1,-0.3 -6,-0.2 -20,-0.2 -0.498 67.6 -97.7-111.1 171.4 18.1 31.1 12.9 179 178 A L E -d 161 0A 47 -19,-2.9 -17,-3.1 -22,-0.6 2,-0.2 -0.839 32.4-146.9 -97.8 115.8 18.6 31.8 16.6 180 179 A P E -d 162 0A 7 0, 0.0 9,-0.6 0, 0.0 2,-0.4 -0.547 10.9-169.5 -74.7 139.4 16.9 34.8 18.0 181 180 A I E -de 163 189A 1 -19,-2.5 -17,-2.2 -2,-0.2 2,-0.4 -0.985 19.4-139.1-122.8 117.1 18.6 36.7 20.8 182 181 A K E -de 164 190A 46 7,-2.8 9,-2.8 -2,-0.4 2,-0.4 -0.668 16.7-160.4 -79.4 127.2 16.3 39.3 22.5 183 182 A Y E - e 0 191A 18 -19,-2.2 2,-0.3 -2,-0.4 9,-0.2 -0.883 52.8 -3.6-103.9 134.6 17.9 42.6 23.3 184 183 A G 0 0 19 7,-1.9 9,-0.1 -2,-0.4 -169,-0.1 -0.704 360.0 360.0 102.8-142.4 16.5 45.1 25.7 185 184 A S 0 0 143 -2,-0.3 -1,-0.2 7,-0.1 7,-0.0 0.477 360.0 360.0-127.8 360.0 13.2 44.7 27.6 186 ! 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 0.0 187 190 A D 0 0 155 0, 0.0 2,-0.4 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -4.6 12.1 30.3 25.8 188 191 A I - 0 0 59 -9,-0.0 -7,-0.1 -7,-0.0 2,-0.1 -0.938 360.0-102.0-132.2 139.4 14.6 32.7 24.2 189 192 A L E -e 181 0A 60 -9,-0.6 -7,-2.8 -2,-0.4 2,-0.4 -0.422 47.4-172.6 -56.4 134.3 18.1 33.9 25.0 190 193 A S E +e 182 0A 65 -9,-0.2 2,-0.3 -2,-0.1 -7,-0.2 -1.000 14.8 177.1-139.0 135.8 17.7 37.5 26.4 191 194 A F E -e 183 0A 36 -9,-2.8 -7,-1.9 -2,-0.4 3,-0.1 -0.977 22.9-150.6-137.0 150.1 20.3 40.2 27.3 192 195 A K S S+ 0 0 163 -2,-0.3 2,-0.3 -9,-0.2 -9,-0.1 0.630 78.8 18.8 -95.3 -16.8 19.7 43.7 28.5 193 196 A N S > S- 0 0 44 -9,-0.1 4,-1.3 1,-0.1 3,-0.2 -0.975 72.6-113.2-153.7 163.8 22.9 45.3 27.1 194 197 A F H > S+ 0 0 0 -108,-0.9 4,-2.4 -2,-0.3 -107,-0.1 0.672 108.1 65.9 -76.8 -17.7 25.6 44.8 24.5 195 198 A Y H > S+ 0 0 100 -109,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.944 105.1 44.6 -67.4 -44.0 28.4 44.3 27.1 196 199 A D H > S+ 0 0 74 2,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.888 113.1 51.0 -66.5 -36.1 26.8 41.0 28.3 197 200 A I H X S+ 0 0 0 -4,-1.3 4,-2.7 2,-0.2 5,-0.2 0.927 109.9 50.2 -68.1 -42.6 26.2 39.9 24.7 198 201 A R H X S+ 0 0 85 -4,-2.4 4,-2.8 1,-0.2 5,-0.2 0.921 110.9 48.8 -60.1 -47.6 29.9 40.6 23.8 199 202 A N H X S+ 0 0 71 -4,-2.5 4,-2.3 2,-0.2 -1,-0.2 0.912 111.4 51.0 -56.3 -43.0 31.0 38.6 26.9 200 203 A F H X S+ 0 0 30 -4,-2.2 4,-2.0 2,-0.2 -2,-0.2 0.934 112.6 44.2 -62.0 -45.9 28.7 35.7 25.9 201 204 A I H X S+ 0 0 1 -4,-2.7 4,-2.3 1,-0.2 -2,-0.2 0.926 112.9 51.3 -70.5 -39.9 30.0 35.6 22.3 202 205 A C H X S+ 0 0 27 -4,-2.8 4,-2.3 -5,-0.2 -1,-0.2 0.895 108.3 52.9 -59.8 -38.9 33.6 35.9 23.4 203 206 A Q H < S+ 0 0 134 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.909 110.1 48.2 -64.8 -37.6 33.0 33.0 25.8 204 207 A L H < S+ 0 0 35 -4,-2.0 -200,-0.4 2,-0.2 -2,-0.2 0.847 111.9 49.3 -67.4 -36.8 31.6 30.9 22.9 205 208 A I H < 0 0 30 -4,-2.3 -2,-0.2 -5,-0.1 -1,-0.2 0.880 360.0 360.0 -71.6 -38.8 34.6 31.8 20.7 206 209 A N < 0 0 162 -4,-2.3 -2,-0.2 -5,-0.2 -3,-0.2 0.659 360.0 360.0-107.4 360.0 37.2 30.9 23.4