==== 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 19-MAY-08 3D6J . COMPND 2 MOLECULE: PUTATIVE HALOACID DEHALOGENASE-LIKE HYDROLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: BACTEROIDES FRAGILIS NCTC 9343; . AUTHOR C.CHANG,R.WU,G.COBB,A.JOACHIMIAK,MIDWEST CENTER FOR STRUCTUR . 210 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9815.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 144 68.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 25 11.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 3 1.4 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 . 1 0.5 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 . 5 2.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 28 13.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 72 34.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 2.4 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 1 0 0 0 3 1 1 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 0 2 3 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 2 A K 0 0 203 0, 0.0 2,-0.4 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 140.1 -12.5 36.8 68.1 2 3 A Y + 0 0 46 1,-0.1 159,-0.2 159,-0.0 158,-0.1 -0.827 360.0 175.4 -99.4 135.8 -10.7 37.5 71.3 3 4 A T S S+ 0 0 40 157,-2.3 100,-2.5 -2,-0.4 2,-0.4 0.340 74.2 52.5-114.1 -0.6 -11.9 40.2 73.8 4 5 A V E -ab 103 161A 0 156,-1.8 158,-2.8 98,-0.2 2,-0.6 -0.971 62.3-169.2-139.8 117.9 -9.4 39.4 76.5 5 6 A Y E -ab 104 162A 29 98,-2.4 100,-1.6 -2,-0.4 2,-0.4 -0.949 9.4-166.7-109.0 116.1 -5.6 39.1 75.9 6 7 A L E -ab 105 163A 0 156,-3.2 158,-2.8 -2,-0.6 2,-0.4 -0.880 9.4-158.5-106.5 134.5 -3.8 37.6 78.9 7 8 A F E -ab 106 164A 0 98,-2.5 100,-2.3 -2,-0.4 158,-0.2 -0.909 18.0-133.1-117.5 137.3 -0.0 37.9 79.0 8 9 A D - 0 0 3 156,-2.3 5,-0.2 -2,-0.4 100,-0.2 -0.339 24.8-146.9 -59.3 160.6 2.9 36.2 80.7 9 10 A F >>> + 0 0 0 98,-0.2 3,-2.1 3,-0.2 4,-2.0 0.830 69.7 66.7-102.8 -71.0 5.3 38.7 82.2 10 11 A D B 345S-f 14 0B 14 1,-0.3 156,-0.3 2,-0.2 5,-0.2 -0.320 123.0 -1.7 -61.3 127.7 9.0 37.6 82.2 11 12 A Y T 345S+ 0 0 12 3,-2.2 -1,-0.3 1,-0.1 175,-0.2 0.494 132.7 63.5 70.0 2.4 10.3 37.5 78.6 12 13 A T T <45S+ 0 0 2 -3,-2.1 -2,-0.2 2,-0.5 -3,-0.2 0.689 118.8 9.0-120.4 -59.1 6.9 38.4 77.3 13 14 A L T <5S+ 0 0 0 -4,-2.0 74,-1.1 1,-0.3 2,-0.3 0.697 136.7 19.6 -93.3 -24.0 6.0 42.0 78.5 14 15 A A E + 0 0 0 -2,-1.2 4,-2.4 68,-0.2 3,-0.2 0.273 37.7 109.6 -96.3 8.6 13.7 40.8 83.2 17 18 A S H > S+ 0 0 4 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.792 72.9 53.9 -63.9 -32.4 16.5 38.3 82.3 18 19 A R H > S+ 0 0 190 65,-0.3 4,-1.9 -3,-0.3 -1,-0.2 0.940 113.5 42.5 -66.8 -44.8 19.5 40.5 83.4 19 20 A G H > S+ 0 0 0 64,-1.8 4,-2.1 -3,-0.2 -2,-0.2 0.897 115.7 50.2 -63.3 -45.5 17.9 40.9 86.9 20 21 A I H X S+ 0 0 6 -4,-2.4 4,-2.4 63,-0.3 5,-0.3 0.928 111.4 47.1 -59.9 -48.7 16.9 37.2 87.1 21 22 A V H X S+ 0 0 12 -4,-2.7 4,-2.3 1,-0.2 -1,-0.2 0.897 111.4 52.5 -62.2 -39.6 20.4 36.0 86.1 22 23 A T H X S+ 0 0 53 -4,-1.9 4,-2.0 -5,-0.2 -1,-0.2 0.917 112.7 43.9 -61.0 -43.4 22.0 38.4 88.7 23 24 A C H X S+ 0 0 0 -4,-2.1 4,-1.8 2,-0.2 -2,-0.2 0.913 114.7 47.2 -72.0 -44.4 19.9 37.1 91.5 24 25 A F H X S+ 0 0 3 -4,-2.4 4,-2.8 1,-0.2 5,-0.2 0.910 113.2 50.6 -60.2 -43.3 20.2 33.4 90.7 25 26 A R H X S+ 0 0 55 -4,-2.3 4,-2.6 -5,-0.3 5,-0.3 0.898 106.0 53.4 -66.1 -43.2 24.0 33.8 90.3 26 27 A S H X S+ 0 0 35 -4,-2.0 4,-1.9 -5,-0.2 -1,-0.2 0.960 115.8 40.4 -53.8 -53.6 24.5 35.6 93.7 27 28 A V H X S+ 0 0 3 -4,-1.8 4,-1.2 2,-0.2 -2,-0.2 0.932 115.5 49.5 -61.5 -50.1 22.7 32.8 95.5 28 29 A L H <>S+ 0 0 3 -4,-2.8 5,-2.8 1,-0.2 3,-0.3 0.904 114.6 45.5 -59.4 -41.5 24.2 29.9 93.5 29 30 A E H ><5S+ 0 0 97 -4,-2.6 3,-1.1 1,-0.2 -1,-0.2 0.805 105.6 58.1 -76.9 -29.2 27.7 31.2 94.0 30 31 A R H 3<5S+ 0 0 169 -4,-1.9 -1,-0.2 -5,-0.3 -2,-0.2 0.782 109.1 49.4 -67.9 -22.5 27.3 32.0 97.7 31 32 A H T 3<5S- 0 0 83 -4,-1.2 -1,-0.2 -3,-0.3 -2,-0.2 0.264 126.2 -99.6-101.7 11.5 26.5 28.2 98.1 32 33 A G T < 5S+ 0 0 56 -3,-1.1 2,-0.9 1,-0.2 -3,-0.2 0.489 74.0 142.7 95.3 4.0 29.5 27.0 96.1 33 34 A Y < + 0 0 71 -5,-2.8 3,-0.3 -6,-0.2 -1,-0.2 -0.700 25.9 172.5 -85.9 106.6 27.8 26.4 92.7 34 35 A T + 0 0 114 -2,-0.9 3,-0.1 1,-0.2 -9,-0.0 -0.656 47.3 35.2-112.4 166.6 30.2 27.4 90.0 35 36 A G + 0 0 66 1,-0.2 2,-0.7 -2,-0.2 -1,-0.2 0.713 69.7 144.1 64.2 22.9 30.3 27.2 86.2 36 37 A I - 0 0 20 -3,-0.3 -1,-0.2 -11,-0.1 2,-0.1 -0.874 43.1-139.9 -90.2 118.4 26.6 27.7 85.8 37 38 A T > - 0 0 62 -2,-0.7 4,-1.8 -3,-0.1 3,-0.2 -0.287 18.3-113.5 -78.0 158.9 26.1 29.7 82.6 38 39 A D H > S+ 0 0 73 1,-0.2 4,-3.2 2,-0.2 5,-0.2 0.906 118.2 54.0 -53.5 -45.5 23.7 32.6 81.9 39 40 A D H > S+ 0 0 90 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.865 103.6 54.4 -59.2 -40.0 21.9 30.3 79.3 40 41 A X H 4 S+ 0 0 100 2,-0.2 4,-0.4 1,-0.2 -1,-0.2 0.902 114.6 41.8 -61.1 -40.6 21.4 27.5 81.9 41 42 A I H >< S+ 0 0 0 -4,-1.8 3,-1.9 1,-0.2 4,-0.5 0.960 112.9 52.2 -68.8 -50.3 19.8 30.0 84.2 42 43 A K H >< S+ 0 0 51 -4,-3.2 3,-1.1 1,-0.3 -2,-0.2 0.817 100.8 62.6 -60.0 -33.3 17.7 31.8 81.4 43 44 A R T 3< S+ 0 0 123 -4,-2.3 -1,-0.3 1,-0.2 -2,-0.2 0.716 103.0 50.4 -65.5 -20.4 16.3 28.4 80.2 44 45 A T T X S+ 0 0 4 -3,-1.9 3,-2.0 -4,-0.4 -1,-0.2 0.514 79.7 125.9 -91.3 -9.1 14.6 28.0 83.6 45 46 A I T < S+ 0 0 15 -3,-1.1 143,-0.2 -4,-0.5 3,-0.1 -0.340 71.6 30.4 -54.8 122.4 13.1 31.5 83.5 46 47 A G T 3 S+ 0 0 15 1,-0.6 -1,-0.3 -2,-0.1 2,-0.2 0.347 95.4 104.2 104.9 -4.1 9.3 31.1 84.1 47 48 A K S < S- 0 0 73 -3,-2.0 -1,-0.6 1,-0.1 94,-0.1 -0.580 89.0 -83.3 -87.7 165.7 9.5 28.0 86.3 48 49 A T > - 0 0 13 -2,-0.2 4,-2.7 93,-0.2 5,-0.2 -0.369 39.3-112.4 -66.9 153.4 9.0 28.6 90.0 49 50 A L H > S+ 0 0 27 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.904 121.4 51.5 -54.4 -40.0 12.1 29.7 92.0 50 51 A E H > S+ 0 0 64 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.937 110.0 47.9 -61.9 -48.1 12.1 26.3 93.7 51 52 A E H > S+ 0 0 83 1,-0.2 4,-2.4 2,-0.2 -2,-0.2 0.901 111.9 51.4 -56.3 -43.4 11.9 24.5 90.3 52 53 A S H X S+ 0 0 2 -4,-2.7 4,-1.9 1,-0.2 -2,-0.2 0.913 111.1 45.9 -62.7 -45.3 14.8 26.6 89.0 53 54 A F H X S+ 0 0 1 -4,-2.3 4,-2.1 2,-0.2 6,-0.5 0.848 111.4 53.2 -65.8 -36.7 17.0 25.9 91.9 54 55 A S H X S+ 0 0 31 -4,-2.3 4,-2.4 2,-0.2 -2,-0.2 0.923 109.5 47.2 -66.5 -45.5 16.3 22.2 91.8 55 56 A I H < S+ 0 0 103 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.922 117.5 43.0 -56.9 -45.1 17.2 22.0 88.1 56 57 A L H < S+ 0 0 30 -4,-1.9 -2,-0.2 -5,-0.2 -1,-0.2 0.786 131.1 20.4 -79.4 -31.5 20.5 23.9 88.6 57 58 A T H < S- 0 0 26 -4,-2.1 -3,-0.2 2,-0.2 -2,-0.2 0.604 92.1-127.7-107.6 -22.3 21.7 22.3 91.8 58 59 A G < + 0 0 52 -4,-2.4 -4,-0.2 -5,-0.4 2,-0.2 0.400 59.1 146.2 78.8 -2.2 19.8 19.0 91.9 59 60 A I + 0 0 23 -6,-0.5 -1,-0.3 1,-0.1 -2,-0.2 -0.457 21.0 170.0 -69.5 135.4 18.6 19.8 95.5 60 61 A T + 0 0 116 -2,-0.2 -1,-0.1 -3,-0.1 2,-0.1 0.467 32.8 124.4-117.9 -9.9 15.1 18.6 96.2 61 62 A D > - 0 0 68 1,-0.2 4,-2.5 2,-0.1 5,-0.3 -0.350 57.4-142.9 -58.0 122.6 14.9 19.2 100.0 62 63 A A H > S+ 0 0 77 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.869 98.7 49.2 -56.7 -39.2 11.8 21.4 100.6 63 64 A D H > S+ 0 0 128 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.903 111.3 47.0 -67.4 -46.3 13.6 23.3 103.4 64 65 A Q H > S+ 0 0 96 2,-0.2 4,-2.4 1,-0.2 -2,-0.2 0.921 112.5 50.2 -62.7 -44.6 16.8 24.1 101.4 65 66 A L H X S+ 0 0 19 -4,-2.5 4,-2.2 1,-0.2 -1,-0.2 0.857 109.8 51.4 -61.8 -35.4 14.8 25.2 98.3 66 67 A E H X S+ 0 0 62 -4,-1.7 4,-2.2 -5,-0.3 -1,-0.2 0.875 108.9 51.6 -66.1 -38.4 12.7 27.5 100.6 67 68 A S H X S+ 0 0 48 -4,-1.7 4,-2.3 2,-0.2 -2,-0.2 0.917 109.4 48.1 -69.2 -42.8 15.9 28.9 101.9 68 69 A F H X S+ 0 0 9 -4,-2.4 4,-3.2 2,-0.2 -2,-0.2 0.909 110.3 54.2 -58.9 -44.6 17.2 29.6 98.3 69 70 A R H X S+ 0 0 54 -4,-2.2 4,-2.6 1,-0.2 -2,-0.2 0.903 110.1 45.6 -55.3 -51.5 13.9 31.2 97.5 70 71 A Q H X S+ 0 0 105 -4,-2.2 4,-1.7 2,-0.2 -1,-0.2 0.881 113.7 48.7 -57.3 -47.5 14.1 33.6 100.5 71 72 A E H X S+ 0 0 58 -4,-2.3 4,-1.8 2,-0.2 -2,-0.2 0.927 112.5 49.6 -63.5 -40.7 17.8 34.4 99.7 72 73 A Y H X S+ 0 0 13 -4,-3.2 4,-3.0 1,-0.2 -2,-0.2 0.941 107.5 53.0 -59.0 -49.8 16.8 35.0 96.0 73 74 A S H X S+ 0 0 20 -4,-2.6 4,-2.1 1,-0.2 -1,-0.2 0.866 106.0 55.1 -55.5 -38.4 13.9 37.3 97.0 74 75 A K H X S+ 0 0 132 -4,-1.7 4,-0.8 2,-0.2 -1,-0.2 0.915 111.0 43.3 -63.3 -47.0 16.3 39.4 99.1 75 76 A E H >X S+ 0 0 11 -4,-1.8 4,-2.8 1,-0.2 3,-1.1 0.918 111.8 55.7 -59.5 -43.9 18.6 39.9 96.1 76 77 A A H 3X>S+ 0 0 3 -4,-3.0 4,-1.6 1,-0.3 5,-0.5 0.825 97.3 61.7 -62.8 -34.1 15.5 40.6 93.9 77 78 A D H 3<5S+ 0 0 101 -4,-2.1 -1,-0.3 -5,-0.2 -2,-0.2 0.847 115.5 35.3 -57.0 -33.9 14.4 43.4 96.2 78 79 A I H <<5S+ 0 0 102 -3,-1.1 -2,-0.2 -4,-0.8 -1,-0.2 0.899 134.5 15.4 -85.6 -47.4 17.7 45.1 95.3 79 80 A Y H X5S+ 0 0 97 -4,-2.8 4,-1.0 -60,-0.1 -3,-0.2 0.645 98.1 85.3-110.2 -20.0 18.3 44.2 91.7 80 81 A X T ><5S+ 0 0 2 -4,-1.6 3,-1.2 -5,-0.3 -61,-0.2 0.960 97.1 30.6 -59.3 -67.5 15.2 42.9 89.9 81 82 A N G >4 - 0 0 40 -74,-1.1 3,-1.9 -2,-0.1 4,-0.5 -0.635 31.1-108.7 -79.3 150.0 10.3 45.3 75.1 88 89 A P T 3 S+ 0 0 117 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 0.736 117.9 40.6 -48.9 -30.0 10.2 47.7 72.2 89 90 A D T 3> S+ 0 0 48 1,-0.1 4,-1.7 2,-0.1 5,-0.3 0.343 88.2 95.1-102.5 2.8 6.6 46.8 71.4 90 91 A T H <> S+ 0 0 0 -3,-1.9 4,-2.2 1,-0.2 5,-0.2 0.962 88.9 36.2 -66.7 -56.8 5.1 46.5 74.9 91 92 A L H > S+ 0 0 60 -4,-0.5 4,-2.2 1,-0.2 5,-0.2 0.912 119.0 46.9 -67.0 -47.5 3.6 50.0 75.3 92 93 A P H > S+ 0 0 80 0, 0.0 4,-1.9 0, 0.0 -1,-0.2 0.887 114.6 48.8 -64.2 -32.5 2.4 50.6 71.8 93 94 A T H X S+ 0 0 4 -4,-1.7 4,-2.4 2,-0.2 -2,-0.2 0.968 113.0 44.3 -68.1 -52.4 0.8 47.1 71.6 94 95 A L H X S+ 0 0 0 -4,-2.2 4,-2.1 -5,-0.3 -1,-0.2 0.841 112.9 53.2 -64.6 -34.7 -1.1 47.3 74.9 95 96 A T H X S+ 0 0 43 -4,-2.2 4,-1.8 -5,-0.2 -1,-0.2 0.896 109.1 49.7 -61.7 -44.2 -2.2 50.8 74.0 96 97 A H H X S+ 0 0 80 -4,-1.9 4,-1.4 -5,-0.2 -2,-0.2 0.909 111.0 48.9 -63.0 -43.7 -3.6 49.6 70.7 97 98 A L H X>S+ 0 0 0 -4,-2.4 5,-2.2 1,-0.2 4,-0.5 0.919 110.3 50.4 -62.5 -43.9 -5.5 46.7 72.4 98 99 A K H ><5S+ 0 0 73 -4,-2.1 3,-0.6 1,-0.2 -1,-0.2 0.831 106.7 55.0 -66.9 -32.2 -7.0 49.0 75.0 99 100 A K H 3<5S+ 0 0 168 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.827 104.4 54.9 -65.7 -33.2 -8.2 51.4 72.2 100 101 A Q H 3<5S- 0 0 114 -4,-1.4 -1,-0.2 -3,-0.2 -2,-0.2 0.636 120.2-115.7 -69.7 -15.1 -9.9 48.4 70.7 101 102 A G T <<5 + 0 0 61 -3,-0.6 2,-0.3 -4,-0.5 -3,-0.2 0.680 64.8 150.2 80.4 17.6 -11.7 47.9 74.0 102 103 A I < - 0 0 17 -5,-2.2 2,-0.4 -98,-0.0 -1,-0.3 -0.633 46.7-125.2 -74.8 139.9 -10.0 44.6 74.6 103 104 A R E -a 4 0A 78 -100,-2.5 -98,-2.4 -2,-0.3 2,-0.3 -0.742 27.7-159.1 -85.5 134.7 -9.4 43.7 78.3 104 105 A I E +a 5 0A 0 -2,-0.4 25,-2.5 23,-0.3 26,-0.8 -0.865 16.6 162.1-119.2 151.5 -5.8 43.0 79.2 105 106 A G E -ac 6 130A 0 -100,-1.6 -98,-2.5 -2,-0.3 2,-0.4 -0.953 28.7-123.0-154.7 173.9 -4.3 41.1 82.1 106 107 A I E -ac 7 131A 0 24,-2.3 26,-2.6 -2,-0.3 2,-0.5 -0.991 13.3-174.5-125.8 129.6 -1.2 39.3 83.4 107 108 A I E + c 0 132A 2 -100,-2.3 2,-0.3 -2,-0.4 -98,-0.2 -0.972 30.4 157.8-121.4 115.9 -0.8 35.7 84.6 108 109 A S - 0 0 4 24,-2.4 4,-0.1 -2,-0.5 -100,-0.1 -0.916 52.6-139.5-140.9 153.2 2.7 35.3 85.9 109 110 A T S S+ 0 0 20 -2,-0.3 -60,-0.2 24,-0.1 -1,-0.1 0.673 82.8 93.6 -85.0 -20.8 4.9 33.1 88.2 110 111 A K S S- 0 0 22 1,-0.1 24,-2.1 23,-0.1 -2,-0.2 -0.359 97.5 -86.9 -67.9 150.6 6.8 36.3 89.4 111 112 A Y > - 0 0 38 22,-0.3 4,-1.9 23,-0.2 3,-0.5 -0.406 30.3-134.1 -61.9 135.3 5.3 37.8 92.5 112 113 A R H > S+ 0 0 83 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.841 105.6 57.3 -57.0 -43.2 2.5 40.2 91.8 113 114 A F H > S+ 0 0 97 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.854 107.3 50.6 -56.0 -35.3 3.9 42.8 94.2 114 115 A R H > S+ 0 0 18 -3,-0.5 4,-2.0 2,-0.2 -2,-0.2 0.927 110.8 47.7 -70.1 -44.8 7.1 42.7 92.2 115 116 A I H X S+ 0 0 0 -4,-1.9 4,-2.7 2,-0.2 -2,-0.2 0.879 110.8 51.6 -58.8 -42.6 5.2 43.2 88.9 116 117 A L H X S+ 0 0 57 -4,-2.6 4,-2.4 2,-0.2 -1,-0.2 0.899 108.4 51.2 -67.8 -38.0 3.1 46.1 90.3 117 118 A S H X S+ 0 0 51 -4,-1.7 4,-0.9 -5,-0.2 -1,-0.2 0.914 111.6 47.5 -66.3 -41.6 6.3 47.9 91.5 118 119 A F H >< S+ 0 0 0 -4,-2.0 3,-0.7 1,-0.2 -2,-0.2 0.940 113.5 49.2 -57.9 -48.6 7.8 47.5 88.0 119 120 A L H >< S+ 0 0 13 -4,-2.7 3,-1.7 1,-0.2 4,-0.4 0.839 97.1 69.4 -63.4 -38.3 4.5 48.8 86.4 120 121 A R H 3< S+ 0 0 158 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.840 110.3 32.0 -51.8 -41.1 4.3 51.8 88.7 121 122 A N T << S+ 0 0 121 -4,-0.9 -1,-0.3 -3,-0.7 -2,-0.2 0.122 129.9 34.3-107.4 22.0 7.3 53.5 87.0 122 123 A H S < S+ 0 0 67 -3,-1.7 -3,-0.2 1,-0.4 -2,-0.1 0.483 107.2 44.0-128.6 -72.9 6.8 52.1 83.5 123 124 A X S S- 0 0 10 -4,-0.4 -1,-0.4 1,-0.1 2,-0.1 -0.357 92.2 -94.9 -74.8 154.7 3.2 51.5 82.2 124 125 A P > - 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0 0 14 -23,-0.6 -2,-0.3 -5,-0.2 2,-0.2 -0.820 60.7-149.1 -96.9 129.4 12.0 29.0 73.4 190 191 A T > - 0 0 68 -2,-0.5 4,-1.3 1,-0.1 3,-0.2 -0.474 28.5-107.1 -91.6 163.1 12.2 28.6 69.6 191 192 A A T 4 S+ 0 0 47 1,-0.2 4,-0.4 2,-0.2 3,-0.1 0.842 121.3 56.7 -58.1 -37.3 9.3 28.1 67.1 192 193 A Q T >4 S+ 0 0 145 1,-0.2 3,-1.2 2,-0.2 4,-0.3 0.914 104.7 52.3 -59.4 -42.8 10.4 24.5 66.8 193 194 A E G >4 S+ 0 0 54 1,-0.3 3,-1.0 -3,-0.2 -1,-0.2 0.805 102.1 58.2 -65.3 -30.2 10.0 24.0 70.5 194 195 A F G >< S+ 0 0 1 -4,-1.3 3,-2.0 1,-0.2 -1,-0.3 0.606 84.9 83.4 -72.0 -13.5 6.4 25.4 70.6 195 196 A Q G < S+ 0 0 97 -3,-1.2 -1,-0.2 -4,-0.4 -2,-0.2 0.740 75.6 69.8 -68.3 -22.2 5.4 22.7 68.1 196 197 A A G < S+ 0 0 80 -3,-1.0 -1,-0.3 -4,-0.3 -2,-0.1 0.574 105.3 44.8 -65.9 -11.0 5.0 20.2 70.9 197 198 A Y S < S- 0 0 91 -3,-2.0 -25,-0.1 -4,-0.1 2,-0.1 -0.921 94.7 -89.1-136.4 159.2 1.9 22.3 72.0 198 199 A P + 0 0 88 0, 0.0 2,-0.3 0, 0.0 -23,-0.1 -0.336 49.2 160.8 -69.7 144.8 -1.2 23.9 70.4 199 200 A Y - 0 0 90 1,-0.1 -17,-0.2 -4,-0.1 3,-0.1 -0.978 41.4-144.2-153.8 160.4 -1.0 27.6 69.2 200 201 A D S S- 0 0 83 -19,-3.1 2,-0.3 1,-0.5 -18,-0.2 0.879 88.1 -14.0 -82.8 -58.7 -2.7 30.0 66.9 201 202 A R E -e 182 0A 111 -20,-0.5 -18,-1.8 2,-0.0 -1,-0.5 -0.908 54.8-140.6-137.6 161.6 0.4 31.7 65.7 202 203 A I E -e 183 0A 42 -2,-0.3 2,-0.2 -20,-0.2 -18,-0.2 -0.974 31.3-174.6-126.0 117.1 4.0 31.9 66.7 203 204 A I E -e 184 0A 6 -20,-2.7 -18,-2.4 -2,-0.4 3,-0.1 -0.665 30.1-140.3-111.2 161.3 5.3 35.5 66.3 204 205 A S S S+ 0 0 70 -2,-0.2 2,-0.3 1,-0.2 -1,-0.1 0.784 87.3 23.6 -87.1 -34.6 8.8 37.1 66.7 205 206 A T S > S- 0 0 63 1,-0.1 3,-1.4 -21,-0.0 -1,-0.2 -0.956 74.7-121.1-135.4 153.0 7.7 40.3 68.4 206 207 A L G > S+ 0 0 8 -2,-0.3 3,-2.2 1,-0.3 4,-0.3 0.797 108.2 69.3 -59.4 -32.5 4.7 41.3 70.4 207 208 A G G > S+ 0 0 26 1,-0.3 3,-1.2 2,-0.2 -1,-0.3 0.732 86.7 67.4 -60.2 -24.6 3.9 44.0 67.9 208 209 A Q G < S+ 0 0 84 -3,-1.4 -1,-0.3 1,-0.3 -2,-0.2 0.603 79.1 79.5 -71.8 -13.3 3.0 41.3 65.4 209 210 A L G < 0 0 8 -3,-2.2 -1,-0.3 -4,-0.2 -2,-0.2 0.858 360.0 360.0 -60.4 -33.5 0.0 40.6 67.7 210 211 A I < 0 0 95 -3,-1.2 -2,-0.2 -4,-0.3 -1,-0.1 0.923 360.0 360.0 -86.0 360.0 -1.5 43.6 66.0