==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-MAY-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 30-OCT-09 3KHI . COMPND 2 MOLECULE: PUTATIVE METAL-DEPENDENT HYDROLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: KLEBSIELLA PNEUMONIAE SUBSP. PNEUMONIA . AUTHOR JOINT CENTER FOR STRUCTURAL GENOMICS (JCSG) . 223 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10517.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 148 66.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 10 4.5 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 . 7 3.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 28 12.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 98 43.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 0.9 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 2 1 0 2 0 0 0 2 1 0 1 0 0 1 0 0 0 0 1 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 2 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 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 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 16 A A 0 0 163 0, 0.0 2,-0.2 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -84.5 -38.0 56.6 10.2 2 17 A E - 0 0 96 1,-0.1 0, 0.0 2,-0.0 0, 0.0 -0.493 360.0-115.4 -82.0 143.6 -34.7 57.1 8.3 3 18 A X - 0 0 54 -2,-0.2 2,-2.0 1,-0.1 3,-0.3 -0.464 32.4-115.3 -64.6 145.9 -31.8 54.6 8.4 4 19 A P > + 0 0 37 0, 0.0 4,-2.5 0, 0.0 5,-0.1 -0.393 55.5 155.1 -85.3 65.5 -28.7 56.3 10.0 5 20 A W H > + 0 0 50 -2,-2.0 4,-2.0 2,-0.2 -2,-0.0 0.872 65.6 52.8 -62.2 -40.6 -26.6 56.1 6.8 6 21 A E H > S+ 0 0 177 -3,-0.3 4,-0.5 1,-0.2 3,-0.2 0.959 114.3 42.4 -64.4 -48.0 -24.2 59.0 7.6 7 22 A Q H >4 S+ 0 0 117 1,-0.2 3,-1.6 2,-0.2 -1,-0.2 0.903 108.9 60.4 -59.7 -43.4 -23.3 57.6 11.0 8 23 A A H 3< S+ 0 0 0 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.887 100.2 56.1 -52.7 -41.7 -23.1 54.1 9.4 9 24 A L H 3< S+ 0 0 19 -4,-2.0 2,-2.2 -3,-0.2 -1,-0.3 0.684 82.7 92.4 -64.1 -21.7 -20.3 55.3 7.1 10 25 A A << + 0 0 77 -3,-1.6 -1,-0.2 -4,-0.5 -3,-0.0 -0.419 59.2 107.7 -83.7 65.8 -18.1 56.5 10.0 11 26 A I S >> S- 0 0 11 -2,-2.2 3,-1.6 1,-0.0 4,-0.6 -0.968 78.0-111.1-136.2 150.6 -16.0 53.4 10.5 12 27 A P G >4 S+ 0 0 60 0, 0.0 3,-1.1 0, 0.0 4,-0.3 0.808 111.6 57.2 -53.7 -42.1 -12.3 52.8 9.6 13 28 A V G 34 S+ 0 0 16 98,-2.8 3,-0.2 1,-0.3 99,-0.1 0.750 116.5 37.2 -64.5 -21.9 -12.8 50.3 6.7 14 29 A L G X4 S+ 0 0 2 -3,-1.6 3,-1.6 97,-0.3 -1,-0.3 0.429 89.1 101.9-103.5 -0.9 -15.0 52.9 4.9 15 30 A A T << S+ 0 0 65 -3,-1.1 -2,-0.1 -4,-0.6 -1,-0.1 0.632 77.5 51.0 -68.7 -19.4 -13.0 56.0 5.9 16 31 A H T 3 S+ 0 0 88 -4,-0.3 -1,-0.3 -3,-0.2 209,-0.1 0.391 78.0 117.6-101.9 2.9 -11.1 56.5 2.6 17 32 A L < - 0 0 11 -3,-1.6 -3,-0.0 1,-0.1 2,-0.0 -0.464 69.1-116.8 -63.0 140.8 -14.1 56.4 0.2 18 33 A S > - 0 0 52 -2,-0.1 4,-2.8 1,-0.1 5,-0.2 -0.284 29.8-103.6 -67.8 162.6 -14.7 59.7 -1.7 19 34 A S H > S+ 0 0 79 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.908 126.5 53.3 -56.4 -41.0 -18.0 61.5 -1.0 20 35 A T H > S+ 0 0 104 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.945 110.6 46.3 -54.3 -50.3 -19.1 60.1 -4.5 21 36 A E H > S+ 0 0 36 1,-0.2 4,-3.1 2,-0.2 -2,-0.2 0.904 110.2 53.1 -62.8 -40.2 -18.2 56.6 -3.3 22 37 A Q H X S+ 0 0 61 -4,-2.8 4,-1.9 2,-0.2 -1,-0.2 0.891 111.6 45.3 -61.8 -41.9 -20.0 57.1 0.0 23 38 A H H X S+ 0 0 137 -4,-2.2 4,-2.0 -5,-0.2 -2,-0.2 0.892 114.8 47.7 -71.9 -37.7 -23.2 58.2 -1.6 24 39 A K H X S+ 0 0 76 -4,-2.5 4,-2.2 2,-0.2 -2,-0.2 0.917 111.2 51.0 -66.6 -41.1 -23.1 55.4 -4.2 25 40 A L H X S+ 0 0 0 -4,-3.1 4,-2.6 -5,-0.2 -2,-0.2 0.904 108.1 54.1 -61.7 -39.9 -22.3 52.8 -1.5 26 41 A T H X S+ 0 0 23 -4,-1.9 4,-2.4 2,-0.2 -2,-0.2 0.918 108.3 48.2 -62.1 -45.0 -25.4 54.2 0.5 27 42 A Q H X S+ 0 0 122 -4,-2.0 4,-2.1 1,-0.2 -1,-0.2 0.928 114.0 46.4 -60.6 -45.7 -27.7 53.7 -2.5 28 43 A X H X S+ 0 0 21 -4,-2.2 4,-2.6 2,-0.2 -2,-0.2 0.898 111.9 50.7 -64.7 -38.8 -26.5 50.1 -3.1 29 44 A A H X S+ 0 0 0 -4,-2.6 4,-2.3 2,-0.2 -1,-0.2 0.902 109.1 51.6 -68.2 -38.4 -26.7 49.2 0.6 30 45 A A H X S+ 0 0 38 -4,-2.4 4,-1.4 2,-0.2 -1,-0.2 0.903 111.8 46.9 -60.0 -43.7 -30.3 50.6 0.7 31 46 A R H X S+ 0 0 120 -4,-2.1 4,-1.9 2,-0.2 -2,-0.2 0.895 108.0 57.0 -65.7 -40.7 -31.1 48.4 -2.3 32 47 A F H X S+ 0 0 0 -4,-2.6 4,-2.6 1,-0.2 3,-0.3 0.938 106.8 48.2 -52.0 -50.5 -29.4 45.4 -0.6 33 48 A L H < S+ 0 0 44 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.796 109.9 53.0 -67.5 -26.4 -31.7 45.8 2.4 34 49 A Q H < S+ 0 0 158 -4,-1.4 -1,-0.2 -5,-0.2 -2,-0.2 0.850 119.3 34.7 -68.4 -37.2 -34.7 45.9 0.1 35 50 A Q H < S+ 0 0 98 -4,-1.9 2,-0.3 -3,-0.3 -2,-0.2 0.641 119.5 41.5 -96.7 -22.8 -33.7 42.7 -1.6 36 51 A K < - 0 0 16 -4,-2.6 2,-0.4 -5,-0.2 39,-0.2 -0.935 69.1-130.9-130.1 153.6 -32.1 40.6 1.2 37 52 A R E -a 75 0A 159 37,-1.4 39,-2.5 -2,-0.3 2,-0.6 -0.859 6.5-148.1-103.4 140.4 -32.9 39.9 4.8 38 53 A L E -a 76 0A 35 -2,-0.4 2,-0.7 37,-0.2 39,-0.2 -0.938 20.4-160.5 -98.7 115.4 -30.4 40.1 7.6 39 54 A V E -a 77 0A 40 37,-3.6 39,-3.1 -2,-0.6 2,-0.4 -0.887 1.5-159.1-108.4 107.3 -31.6 37.3 10.0 40 55 A A E -a 78 0A 38 -2,-0.7 3,-0.2 37,-0.2 2,-0.2 -0.729 19.4-160.7 -86.9 130.7 -30.3 37.8 13.6 41 56 A L > + 0 0 45 37,-3.0 3,-1.8 -2,-0.4 -1,-0.0 -0.690 51.7 22.6-116.6 163.6 -30.3 34.6 15.5 42 57 A Q T 3 S- 0 0 144 1,-0.3 -1,-0.2 -2,-0.2 37,-0.0 0.800 131.8 -46.8 59.0 38.1 -30.3 33.2 19.0 43 58 A G T 3 S+ 0 0 74 1,-0.3 -1,-0.3 -3,-0.2 2,-0.1 0.381 94.9 149.5 86.4 -4.6 -31.5 36.4 20.7 44 59 A L < - 0 0 32 -3,-1.8 2,-0.5 34,-0.2 -1,-0.3 -0.431 30.1-159.8 -63.4 136.6 -29.2 38.7 18.8 45 60 A E - 0 0 106 -2,-0.1 2,-0.5 35,-0.0 -4,-0.0 -0.984 2.0-162.1-120.3 119.7 -30.7 42.2 18.2 46 61 A L - 0 0 26 -2,-0.5 -6,-0.1 -6,-0.0 -2,-0.0 -0.903 11.6-141.5-104.1 126.5 -29.2 44.4 15.5 47 62 A T > - 0 0 61 -2,-0.5 4,-2.8 1,-0.1 5,-0.2 -0.297 31.9-101.2 -74.1 164.5 -30.0 48.1 15.5 48 63 A P H > S+ 0 0 67 0, 0.0 4,-2.7 0, 0.0 5,-0.2 0.899 126.2 54.5 -52.3 -40.0 -30.6 50.1 12.3 49 64 A L H > S+ 0 0 29 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.933 109.8 45.5 -59.3 -46.4 -27.0 51.3 12.6 50 65 A H H > S+ 0 0 46 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.920 113.4 49.7 -62.1 -44.7 -25.7 47.8 12.7 51 66 A Q H X S+ 0 0 65 -4,-2.8 4,-2.3 2,-0.2 -2,-0.2 0.899 111.0 50.2 -60.2 -44.2 -28.0 46.7 9.8 52 67 A A H X S+ 0 0 0 -4,-2.7 4,-2.2 -5,-0.2 -1,-0.2 0.914 112.1 46.9 -61.6 -45.3 -26.8 49.7 7.7 53 68 A R H X S+ 0 0 35 -4,-2.4 4,-2.2 2,-0.2 -2,-0.2 0.892 110.0 51.9 -65.7 -42.0 -23.2 48.9 8.4 54 69 A I H X S+ 0 0 0 -4,-2.6 4,-2.0 2,-0.2 -2,-0.2 0.939 110.5 49.8 -60.8 -45.7 -23.6 45.2 7.6 55 70 A A H X S+ 0 0 0 -4,-2.3 4,-2.0 1,-0.2 -2,-0.2 0.910 109.7 51.0 -57.2 -43.4 -25.3 46.2 4.2 56 71 A X H X S+ 0 0 0 -4,-2.2 4,-1.8 1,-0.2 -1,-0.2 0.899 107.7 52.7 -66.5 -35.6 -22.5 48.6 3.4 57 72 A L H < S+ 0 0 0 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.882 109.2 49.2 -65.3 -37.0 -19.8 45.9 4.1 58 73 A F H < S+ 0 0 0 -4,-2.0 4,-0.4 1,-0.2 -1,-0.2 0.868 114.3 46.9 -65.7 -37.9 -21.6 43.5 1.7 59 74 A C H >< S+ 0 0 0 -4,-2.0 3,-0.7 -5,-0.2 4,-0.2 0.754 92.6 79.7 -78.2 -24.0 -21.7 46.2 -0.9 60 75 A L G >< S+ 0 0 2 -4,-1.8 3,-1.7 1,-0.3 4,-0.3 0.923 93.2 46.2 -53.6 -51.9 -18.1 47.4 -0.7 61 76 A P G 3 S+ 0 0 0 0, 0.0 -1,-0.3 0, 0.0 3,-0.2 0.783 120.1 41.7 -67.4 -19.9 -16.5 44.6 -2.7 62 77 A V G X> S+ 0 0 0 -3,-0.7 4,-3.0 -4,-0.4 3,-1.0 0.171 77.6 115.9-107.8 18.1 -19.2 45.0 -5.4 63 78 A L T <4 S+ 0 0 1 -3,-1.7 -1,-0.1 1,-0.3 4,-0.1 0.874 92.1 26.7 -53.4 -42.0 -19.3 48.9 -5.4 64 79 A E T 34 S+ 0 0 65 151,-0.4 -1,-0.3 -4,-0.3 -2,-0.1 0.261 122.6 54.7-105.9 9.8 -18.1 49.0 -9.0 65 80 A L T <4 S- 0 0 25 -3,-1.0 -2,-0.2 1,-0.0 3,-0.1 0.741 106.3-114.9-105.2 -40.3 -19.4 45.6 -10.1 66 81 A G >< - 0 0 14 -4,-3.0 3,-2.0 -7,-0.2 4,-0.2 -0.084 22.8 -84.9 115.1 150.3 -23.1 46.0 -9.1 67 82 A I G > S+ 0 0 25 1,-0.3 3,-2.0 2,-0.2 -1,-0.1 0.730 115.9 73.9 -58.8 -23.0 -25.6 44.5 -6.7 68 83 A E G > S+ 0 0 86 1,-0.3 3,-1.8 2,-0.2 -1,-0.3 0.729 80.1 72.3 -69.3 -18.8 -26.3 41.6 -9.1 69 84 A W G < S+ 0 0 40 -3,-2.0 -1,-0.3 1,-0.3 3,-0.3 0.648 93.5 56.6 -67.7 -12.9 -22.9 40.1 -8.3 70 85 A L G X S+ 0 0 0 -3,-2.0 3,-1.1 -4,-0.2 -1,-0.3 0.129 72.5 111.5 -98.0 17.3 -24.5 39.2 -4.9 71 86 A D T < + 0 0 90 -3,-1.8 -1,-0.2 1,-0.3 -2,-0.1 0.508 54.5 84.0 -68.2 -8.3 -27.4 37.2 -6.6 72 87 A G T 3 S+ 0 0 15 -3,-0.3 2,-0.3 -4,-0.1 -1,-0.3 0.402 95.7 36.6 -79.7 4.7 -26.0 34.0 -5.2 73 88 A F < - 0 0 1 -3,-1.1 25,-0.1 1,-0.1 3,-0.1 -0.985 49.3-169.1-153.9 151.0 -27.9 34.5 -1.9 74 89 A H S S+ 0 0 114 23,-0.4 -37,-1.4 -2,-0.3 2,-0.3 0.569 76.7 32.6-108.1 -23.5 -31.2 35.9 -0.6 75 90 A E E -a 37 0A 49 -39,-0.2 25,-1.7 23,-0.0 2,-0.4 -0.954 58.9-146.1-138.0 155.9 -30.5 36.0 3.1 76 91 A V E -ab 38 100A 0 -39,-2.5 -37,-3.6 -2,-0.3 2,-0.5 -0.996 16.2-151.5-124.1 126.1 -27.7 36.5 5.6 77 92 A L E -ab 39 101A 42 23,-2.8 25,-2.9 -2,-0.4 2,-0.5 -0.857 12.0-165.0 -98.7 126.5 -27.8 34.5 8.9 78 93 A I E -ab 40 102A 0 -39,-3.1 -37,-3.0 -2,-0.5 25,-0.2 -0.947 3.6-168.6-122.5 113.6 -26.1 36.2 11.8 79 94 A Y E - b 0 103A 55 23,-2.5 25,-2.6 -2,-0.5 26,-0.2 -0.583 31.5-119.6 -88.9 155.0 -25.2 34.4 15.0 80 95 A P S S+ 0 0 42 0, 0.0 25,-1.4 0, 0.0 23,-0.1 0.920 90.0 6.9 -58.0 -39.9 -24.0 36.2 18.1 81 96 A A S S- 0 0 46 23,-0.2 -2,-0.1 22,-0.2 23,-0.1 -0.886 84.8 -84.5-145.6 159.0 -20.7 34.5 18.1 82 97 A P 0 0 64 0, 0.0 -1,-0.0 0, 0.0 20,-0.0 -0.329 360.0 360.0 -63.7 155.2 -18.3 32.2 16.3 83 98 A F 0 0 193 -4,-0.0 20,-0.0 20,-0.0 -4,-0.0 -0.653 360.0 360.0 -79.0 360.0 -18.9 28.4 16.7 84 ! 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 85 109 A G > 0 0 71 0, 0.0 4,-1.8 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 33.9 -11.6 26.5 9.5 86 110 A L H > + 0 0 90 2,-0.2 4,-1.3 1,-0.1 5,-0.1 0.933 360.0 33.5 -73.2 -50.5 -11.3 22.8 8.7 87 111 A V H > S+ 0 0 119 2,-0.2 4,-2.8 1,-0.1 5,-0.2 0.830 114.0 64.2 -71.9 -32.7 -15.1 22.4 8.3 88 112 A H H > S+ 0 0 56 1,-0.2 4,-2.5 2,-0.2 -2,-0.2 0.965 107.8 38.8 -52.6 -58.5 -15.3 26.0 6.9 89 113 A N H X S+ 0 0 24 -4,-1.8 4,-2.1 2,-0.2 -1,-0.2 0.820 112.4 57.1 -66.8 -34.0 -13.2 25.2 3.8 90 114 A Q H < S+ 0 0 44 -4,-1.3 -1,-0.2 2,-0.2 -2,-0.2 0.942 111.0 44.6 -56.3 -50.6 -14.9 21.8 3.4 91 115 A R H >< S+ 0 0 62 -4,-2.8 3,-1.6 1,-0.2 -2,-0.2 0.917 109.7 57.4 -56.8 -45.9 -18.2 23.7 3.2 92 116 A V H 3< S+ 0 0 23 -4,-2.5 43,-0.4 1,-0.3 -2,-0.2 0.887 107.1 45.9 -55.3 -45.2 -16.7 26.3 0.8 93 117 A V T 3< 0 0 64 -4,-2.1 -1,-0.3 41,-0.1 -2,-0.2 0.163 360.0 360.0 -90.9 20.0 -15.6 23.7 -1.8 94 118 A Q < 0 0 160 -3,-1.6 41,-0.1 -5,-0.1 -3,-0.1 -0.563 360.0 360.0 -72.3 360.0 -19.0 21.7 -1.9 95 ! 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 96 124 A Q 0 0 98 0, 0.0 33,-0.1 0, 0.0 36,-0.1 0.000 360.0 360.0 360.0 -26.4 -23.8 27.5 -3.1 97 125 A Q + 0 0 125 -24,-0.0 -23,-0.4 -23,-0.0 3,-0.1 0.252 360.0 124.5 -87.3 4.8 -27.2 29.4 -3.2 98 126 A G S S- 0 0 31 1,-0.1 3,-0.1 -25,-0.1 -23,-0.0 -0.178 73.2 -88.7 -71.6 160.5 -27.1 29.0 0.6 99 127 A P - 0 0 52 0, 0.0 2,-0.4 0, 0.0 -23,-0.2 -0.247 42.6-107.5 -60.0 151.7 -27.4 32.0 2.9 100 128 A V E -b 76 0A 2 -25,-1.7 -23,-2.8 -3,-0.1 2,-0.5 -0.728 36.4-147.0 -74.7 135.5 -24.2 33.8 3.8 101 129 A V E +b 77 0A 64 -2,-0.4 2,-0.3 -25,-0.2 -23,-0.2 -0.931 27.9 157.5-114.6 126.8 -23.4 32.9 7.5 102 130 A L E -b 78 0A 5 -25,-2.9 -23,-2.5 -2,-0.5 2,-0.3 -0.818 29.2-135.4-132.0 172.8 -21.8 35.5 9.7 103 131 A N E > -b 79 0A 12 -2,-0.3 4,-2.0 -25,-0.2 -22,-0.2 -0.988 19.5-126.9-135.6 152.9 -21.4 36.2 13.4 104 132 A W H > S+ 0 0 30 -25,-2.6 4,-2.7 -2,-0.3 5,-0.2 0.840 104.6 58.0 -67.5 -37.8 -21.7 39.6 15.2 105 133 A L H > S+ 0 0 98 -25,-1.4 4,-1.6 1,-0.2 -1,-0.2 0.936 113.1 41.2 -58.0 -48.3 -18.3 39.4 17.1 106 134 A D H > S+ 0 0 36 2,-0.2 4,-1.7 1,-0.2 12,-0.4 0.839 110.6 57.3 -71.6 -33.2 -16.5 39.1 13.8 107 135 A I H X S+ 0 0 0 -4,-2.0 4,-0.6 2,-0.2 3,-0.3 0.952 104.4 53.1 -58.5 -49.1 -18.7 41.6 12.0 108 136 A Q H >< S+ 0 0 84 -4,-2.7 3,-1.3 1,-0.3 4,-0.5 0.915 108.5 49.0 -56.7 -44.3 -17.7 44.2 14.6 109 137 A D H >< S+ 0 0 82 -4,-1.6 3,-1.1 1,-0.2 5,-0.3 0.848 100.3 67.7 -56.2 -34.9 -14.0 43.5 13.9 110 138 A S H 3< S+ 0 0 0 -4,-1.7 -1,-0.2 -3,-0.3 -2,-0.2 0.665 88.4 66.9 -65.0 -12.3 -14.8 43.9 10.2 111 139 A F T << S+ 0 0 17 -3,-1.3 -98,-2.8 -4,-0.6 -97,-0.3 0.824 90.5 75.7 -75.5 -32.5 -15.5 47.6 10.8 112 140 A D S < S- 0 0 81 -3,-1.1 3,-0.2 -4,-0.5 2,-0.2 -0.066 88.8-115.7 -72.9 175.2 -11.8 48.4 11.6 113 141 A A S S+ 0 0 45 1,-0.2 -1,-0.1 -101,-0.1 -3,-0.1 -0.340 73.7 119.2-109.2 55.2 -8.9 48.6 9.2 114 142 A S S S- 0 0 79 2,-0.3 -1,-0.2 -5,-0.3 82,-0.1 0.500 87.7 -98.7 -98.4 -8.9 -6.9 45.6 10.5 115 143 A G S S+ 0 0 2 1,-0.3 2,-0.5 -3,-0.2 81,-0.2 -0.026 95.1 103.7 105.8 -31.2 -6.7 43.2 7.5 116 144 A F + 0 0 71 79,-0.1 -2,-0.3 -7,-0.1 -1,-0.3 -0.753 33.8 154.2 -94.8 129.7 -9.6 41.1 8.9 117 145 A N > - 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