==== 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 26-JUN-08 3DL1 . COMPND 2 MOLECULE: PUTATIVE METAL-DEPENDENT HYDROLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: KLEBSIELLA PNEUMONIAE SUBSP. PNEUMONIA . AUTHOR JOINT CENTER FOR STRUCTURAL GENOMICS (JCSG) . 210 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10123.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 137 65.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 10 4.8 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 . 8 3.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 22 10.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 93 44.3 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 2 0 0 0 0 1 2 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 17 A E 0 0 152 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 120.7 30.3 8.6 0.9 2 18 A X - 0 0 60 1,-0.1 2,-2.0 45,-0.0 3,-0.2 -0.446 360.0-120.0 -65.4 139.4 33.4 10.8 1.0 3 19 A P > + 0 0 38 0, 0.0 4,-2.5 0, 0.0 5,-0.2 -0.410 50.6 158.6 -83.5 67.3 36.4 8.9 -0.4 4 20 A W H > + 0 0 53 -2,-2.0 4,-1.6 1,-0.2 -2,-0.0 0.849 67.8 52.1 -61.4 -42.2 38.5 9.1 2.8 5 21 A E H 4 S+ 0 0 175 -3,-0.2 4,-0.5 1,-0.2 -1,-0.2 0.902 113.9 42.9 -62.8 -43.9 40.8 6.2 2.1 6 22 A Q H >4 S+ 0 0 117 1,-0.2 3,-1.1 2,-0.2 -2,-0.2 0.867 108.8 60.6 -70.1 -35.6 41.8 7.5 -1.3 7 23 A A H 3< S+ 0 0 0 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.855 98.8 57.1 -56.3 -41.5 42.1 11.0 0.1 8 24 A L T 3< S+ 0 0 20 -4,-1.6 2,-2.4 1,-0.2 -1,-0.2 0.717 82.3 92.0 -61.6 -24.4 44.8 9.8 2.5 9 25 A A < + 0 0 76 -3,-1.1 -1,-0.2 -4,-0.5 5,-0.1 -0.334 59.5 109.4 -79.1 60.7 47.0 8.6 -0.4 10 26 A I S > S- 0 0 10 -2,-2.4 3,-1.5 1,-0.1 4,-0.3 -0.946 77.7-113.0-129.3 149.5 49.0 11.8 -0.9 11 27 A P G > S+ 0 0 66 0, 0.0 3,-1.6 0, 0.0 4,-0.3 0.858 111.2 58.1 -53.7 -40.6 52.7 12.3 -0.1 12 28 A V G 3 S+ 0 0 15 87,-2.8 3,-0.2 1,-0.3 88,-0.1 0.715 116.2 37.1 -62.4 -20.7 52.3 14.8 2.8 13 29 A L G X S+ 0 0 4 -3,-1.5 3,-1.1 86,-0.3 -1,-0.3 0.251 87.7 103.1-111.0 10.1 50.2 12.2 4.7 14 30 A A T < S+ 0 0 65 -3,-1.6 -2,-0.1 -4,-0.3 -1,-0.1 0.659 77.6 51.2 -75.2 -20.9 52.1 9.1 3.6 15 31 A H T 3 S+ 0 0 98 -4,-0.3 -1,-0.3 -3,-0.2 2,-0.2 0.323 78.2 120.4-101.9 6.9 53.9 8.5 6.9 16 32 A L < - 0 0 11 -3,-1.1 -3,-0.0 1,-0.1 5,-0.0 -0.475 65.6-117.4 -70.7 140.0 50.9 8.7 9.3 17 33 A S > - 0 0 47 -2,-0.2 4,-2.6 1,-0.1 5,-0.2 -0.213 30.4-102.7 -67.4 164.8 50.3 5.6 11.4 18 34 A S H > S+ 0 0 89 1,-0.2 4,-2.1 2,-0.2 5,-0.1 0.902 125.1 48.9 -58.2 -42.1 47.1 3.6 11.0 19 35 A T H > S+ 0 0 99 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.889 111.2 51.1 -63.2 -40.6 45.6 5.2 14.2 20 36 A E H > S+ 0 0 34 2,-0.2 4,-2.9 1,-0.2 -2,-0.2 0.890 108.7 50.6 -64.9 -40.7 46.7 8.7 13.0 21 37 A Q H X S+ 0 0 63 -4,-2.6 4,-2.5 2,-0.2 -1,-0.2 0.915 112.7 46.5 -62.0 -45.9 45.0 8.2 9.6 22 38 A H H X S+ 0 0 135 -4,-2.1 4,-1.6 2,-0.2 -2,-0.2 0.883 115.4 46.2 -60.7 -42.8 41.8 7.1 11.4 23 39 A K H X S+ 0 0 81 -4,-2.4 4,-2.1 2,-0.2 -2,-0.2 0.902 113.5 48.3 -68.8 -42.5 42.0 10.0 13.8 24 40 A L H X S+ 0 0 0 -4,-2.9 4,-2.5 1,-0.2 -2,-0.2 0.896 109.3 53.8 -63.4 -45.2 42.7 12.5 11.0 25 41 A T H X S+ 0 0 26 -4,-2.5 4,-2.0 2,-0.2 -1,-0.2 0.884 110.2 46.7 -54.0 -44.4 39.8 11.2 8.9 26 42 A Q H X S+ 0 0 109 -4,-1.6 4,-2.1 2,-0.2 -2,-0.2 0.908 112.6 48.2 -68.5 -43.8 37.4 11.7 11.8 27 43 A X H X S+ 0 0 24 -4,-2.1 4,-2.7 2,-0.2 -2,-0.2 0.902 111.3 51.7 -62.8 -39.5 38.6 15.2 12.5 28 44 A A H X S+ 0 0 0 -4,-2.5 4,-2.3 2,-0.2 -2,-0.2 0.882 108.1 50.8 -67.0 -39.3 38.4 16.0 8.8 29 45 A A H X S+ 0 0 37 -4,-2.0 4,-1.0 2,-0.2 -1,-0.2 0.893 111.8 48.4 -61.8 -41.2 34.8 14.8 8.6 30 46 A R H >X S+ 0 0 129 -4,-2.1 4,-1.8 2,-0.2 3,-0.5 0.911 108.1 55.3 -63.8 -44.7 34.0 17.0 11.7 31 47 A F H 3X S+ 0 0 0 -4,-2.7 4,-2.5 1,-0.2 3,-0.3 0.924 107.4 48.5 -50.9 -50.5 35.8 19.9 10.0 32 48 A L H 3< S+ 0 0 45 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.725 110.1 53.1 -68.3 -22.2 33.5 19.5 6.9 33 49 A Q H << S+ 0 0 160 -4,-1.0 -1,-0.2 -3,-0.5 -2,-0.2 0.806 119.6 33.1 -74.5 -33.0 30.5 19.4 9.3 34 50 A Q H < S+ 0 0 113 -4,-1.8 2,-0.3 -3,-0.3 -2,-0.2 0.673 119.7 43.4 -98.9 -21.3 31.4 22.6 11.0 35 51 A K S < S- 0 0 19 -4,-2.5 2,-0.4 -5,-0.2 39,-0.2 -0.904 70.1-131.0-128.7 152.3 33.1 24.7 8.2 36 52 A R E -a 74 0A 158 37,-1.4 39,-2.5 -2,-0.3 2,-0.6 -0.879 5.3-148.3-103.2 136.6 32.3 25.4 4.6 37 53 A L E -a 75 0A 24 -2,-0.4 2,-0.7 37,-0.2 39,-0.2 -0.934 19.8-162.1 -94.3 116.1 34.8 25.2 1.7 38 54 A V E -a 76 0A 40 37,-3.5 39,-3.2 -2,-0.6 2,-0.4 -0.899 1.5-159.0-107.9 103.4 33.6 27.9 -0.7 39 55 A A E -a 77 0A 38 -2,-0.7 3,-0.3 37,-0.2 2,-0.2 -0.723 19.3-158.0 -82.0 126.5 35.0 27.4 -4.2 40 56 A L > + 0 0 45 37,-2.8 3,-1.8 -2,-0.4 -1,-0.0 -0.658 54.4 23.4-112.0 162.5 35.0 30.6 -6.2 41 57 A Q T 3 S- 0 0 153 1,-0.3 -1,-0.2 -2,-0.2 37,-0.0 0.825 131.2 -50.6 58.2 39.9 35.0 31.9 -9.7 42 58 A G T 3 S+ 0 0 71 1,-0.3 -1,-0.3 -3,-0.3 -2,-0.1 0.387 93.0 151.8 82.5 -4.1 33.6 28.7 -11.2 43 59 A L < - 0 0 31 -3,-1.8 2,-0.5 34,-0.2 -1,-0.3 -0.388 30.6-156.0 -58.6 132.4 36.1 26.4 -9.5 44 60 A E - 0 0 171 -2,-0.1 2,-0.5 35,-0.0 -4,-0.0 -0.969 4.8-163.6-114.9 124.8 34.6 22.9 -8.9 45 61 A L - 0 0 27 -2,-0.5 -6,-0.1 -6,-0.1 -2,-0.0 -0.935 13.2-140.8-106.9 125.8 36.1 20.8 -6.1 46 62 A T > - 0 0 64 -2,-0.5 4,-2.4 1,-0.1 3,-0.2 -0.336 32.2-100.2 -74.6 165.3 35.3 17.1 -6.1 47 63 A P H > S+ 0 0 69 0, 0.0 4,-2.6 0, 0.0 5,-0.2 0.868 126.1 55.3 -51.4 -36.5 34.6 15.1 -2.9 48 64 A L H > S+ 0 0 28 2,-0.2 4,-2.2 1,-0.2 5,-0.1 0.894 107.9 47.2 -65.7 -40.5 38.2 13.9 -3.0 49 65 A H H > S+ 0 0 42 -3,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.928 113.4 48.5 -63.3 -48.6 39.5 17.4 -3.2 50 66 A Q H X S+ 0 0 57 -4,-2.4 4,-2.6 2,-0.2 -2,-0.2 0.901 110.5 50.1 -57.2 -49.5 37.3 18.5 -0.3 51 67 A A H X S+ 0 0 0 -4,-2.6 4,-2.2 2,-0.2 -1,-0.2 0.920 112.7 48.2 -56.1 -43.3 38.3 15.5 1.8 52 68 A R H X S+ 0 0 36 -4,-2.2 4,-2.2 2,-0.2 -2,-0.2 0.913 110.8 49.3 -68.4 -40.9 42.0 16.3 1.2 53 69 A I H X S+ 0 0 0 -4,-2.7 4,-2.0 2,-0.2 -2,-0.2 0.956 110.8 51.0 -58.3 -50.9 41.6 20.0 2.0 54 70 A A H X S+ 0 0 0 -4,-2.6 4,-1.6 1,-0.2 -2,-0.2 0.891 110.5 50.1 -54.1 -43.4 39.8 19.1 5.3 55 71 A X H X S+ 0 0 0 -4,-2.2 4,-1.8 1,-0.2 -1,-0.2 0.875 107.0 53.0 -65.8 -38.4 42.7 16.7 6.1 56 72 A L H < S+ 0 0 0 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.879 109.2 50.3 -63.2 -36.6 45.3 19.3 5.5 57 73 A F H < S+ 0 0 0 -4,-2.0 4,-0.4 1,-0.2 -1,-0.2 0.858 113.6 45.4 -65.7 -36.9 43.6 21.7 7.8 58 74 A C H >< S+ 0 0 0 -4,-1.6 3,-0.7 -5,-0.2 4,-0.3 0.720 92.1 81.6 -83.5 -22.0 43.4 19.1 10.5 59 75 A L G >< S+ 0 0 2 -4,-1.8 3,-1.5 1,-0.2 4,-0.3 0.917 93.3 46.0 -53.5 -50.8 47.0 17.8 10.2 60 76 A P G 3 S+ 0 0 0 0, 0.0 -1,-0.2 0, 0.0 3,-0.2 0.766 120.0 40.4 -66.9 -22.2 48.6 20.6 12.4 61 77 A V G <> S+ 0 0 0 -3,-0.7 4,-3.0 -4,-0.4 3,-0.3 0.163 78.8 116.3-105.9 14.8 45.9 20.3 15.0 62 78 A L T <4 S+ 0 0 1 -3,-1.5 -1,-0.1 -4,-0.3 4,-0.1 0.852 94.3 23.6 -52.4 -38.8 45.7 16.4 14.9 63 79 A E T 4 S+ 0 0 51 139,-0.4 -1,-0.3 -4,-0.3 -2,-0.1 0.404 123.0 56.3-106.1 -4.3 47.0 16.3 18.5 64 80 A L T 4 S- 0 0 26 -3,-0.3 -2,-0.2 138,-0.1 3,-0.1 0.827 108.2-110.4 -92.5 -39.5 45.8 19.8 19.6 65 81 A G >< - 0 0 10 -4,-3.0 3,-1.9 -7,-0.2 4,-0.1 -0.160 20.3 -91.1 118.7 148.1 42.1 19.5 18.7 66 82 A I G > S+ 0 0 23 1,-0.3 3,-2.2 2,-0.2 -1,-0.1 0.744 115.7 74.4 -64.2 -23.8 39.7 20.9 16.2 67 83 A E G > S+ 0 0 105 1,-0.3 3,-1.7 2,-0.2 -1,-0.3 0.715 80.0 72.5 -61.6 -22.5 38.8 23.8 18.5 68 84 A W G < S+ 0 0 41 -3,-1.9 -1,-0.3 1,-0.3 3,-0.3 0.639 94.9 53.6 -67.3 -11.8 42.2 25.2 17.7 69 85 A L G X S+ 0 0 0 -3,-2.2 3,-0.9 -4,-0.1 -1,-0.3 0.124 74.6 109.4-101.8 16.7 40.6 26.1 14.3 70 86 A D T < + 0 0 94 -3,-1.7 -1,-0.1 1,-0.3 -2,-0.1 0.554 53.9 84.8 -76.4 -4.9 37.7 27.9 15.9 71 87 A G T 3 S+ 0 0 22 -3,-0.3 2,-0.3 -4,-0.1 -1,-0.3 0.231 95.6 40.4 -78.6 15.6 39.0 31.3 14.7 72 88 A F < - 0 0 1 -3,-0.9 14,-0.1 1,-0.1 3,-0.1 -0.969 51.3-169.2-158.5 151.2 37.2 30.8 11.3 73 89 A H S S+ 0 0 113 12,-0.5 -37,-1.4 -2,-0.3 2,-0.3 0.595 75.2 31.3-108.9 -23.7 34.0 29.4 9.9 74 90 A E E -a 36 0A 51 -39,-0.2 14,-1.7 -37,-0.0 2,-0.4 -0.959 58.4-143.7-139.1 157.1 34.7 29.2 6.2 75 91 A V E -ab 37 88A 0 -39,-2.5 -37,-3.5 -2,-0.3 2,-0.5 -0.993 16.4-152.5-121.5 124.4 37.5 28.7 3.7 76 92 A L E -ab 38 89A 42 12,-2.9 14,-2.8 -2,-0.4 2,-0.5 -0.881 11.9-165.7 -97.0 126.7 37.4 30.7 0.5 77 93 A I E -ab 39 90A 0 -39,-3.2 -37,-2.8 -2,-0.5 14,-0.2 -0.925 3.9-169.7-124.1 106.0 39.2 28.9 -2.5 78 94 A Y E - b 0 91A 56 12,-2.5 14,-2.7 -2,-0.5 15,-0.2 -0.468 33.4-117.2 -81.7 158.1 40.1 30.8 -5.6 79 95 A P S S+ 0 0 40 0, 0.0 14,-1.3 0, 0.0 12,-0.1 0.903 90.9 4.9 -61.6 -36.2 41.3 28.9 -8.7 80 96 A A S S- 0 0 48 12,-0.2 12,-0.1 11,-0.1 -2,-0.1 -0.887 87.5 -79.0-146.7 164.8 44.7 30.6 -8.7 81 97 A P 0 0 63 0, 0.0 -1,-0.1 0, 0.0 9,-0.0 -0.226 360.0 360.0 -65.4 159.0 47.0 33.0 -6.7 82 98 A F 0 0 195 -4,-0.0 9,-0.0 9,-0.0 -4,-0.0 -0.753 360.0 360.0 -85.3 360.0 46.5 36.8 -6.9 83 ! 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 84 124 A Q 0 0 122 0, 0.0 33,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-113.8 40.7 37.8 13.0 85 125 A Q + 0 0 62 -13,-0.0 -12,-0.5 -12,-0.0 0, 0.0 0.084 360.0 137.3 -88.3 17.2 37.5 35.6 12.8 86 126 A G - 0 0 27 -14,-0.1 3,-0.0 1,-0.1 -12,-0.0 -0.224 63.0 -96.3 -71.2 151.2 38.1 36.1 9.0 87 127 A P - 0 0 54 0, 0.0 2,-0.4 0, 0.0 -12,-0.2 -0.288 37.7-109.9 -61.1 152.0 37.8 33.3 6.5 88 128 A V E -b 75 0A 3 -14,-1.7 -12,-2.9 -11,-0.0 2,-0.5 -0.721 33.1-148.3 -80.4 135.3 41.0 31.4 5.5 89 129 A V E +b 76 0A 58 -2,-0.4 2,-0.3 -14,-0.2 -12,-0.2 -0.933 27.0 157.9-111.8 128.5 41.8 32.2 1.9 90 130 A L E -b 77 0A 3 -14,-2.8 -12,-2.5 -2,-0.5 2,-0.3 -0.841 28.8-135.5-134.8 171.1 43.5 29.7 -0.3 91 131 A N E > -b 78 0A 12 -2,-0.3 4,-2.0 -14,-0.2 5,-0.1 -0.990 19.2-126.9-133.2 152.3 43.8 28.9 -4.0 92 132 A W H > S+ 0 0 32 -14,-2.7 4,-2.1 -2,-0.3 -12,-0.2 0.850 104.9 59.7 -65.2 -36.5 43.5 25.6 -5.8 93 133 A L H > S+ 0 0 95 -14,-1.3 4,-1.4 1,-0.2 -1,-0.2 0.946 112.0 40.2 -56.2 -50.9 46.9 25.8 -7.6 94 134 A D H > S+ 0 0 35 1,-0.2 4,-1.7 2,-0.2 12,-0.4 0.834 109.9 59.2 -70.5 -31.9 48.8 26.0 -4.3 95 135 A I H < S+ 0 0 0 -4,-2.0 4,-0.2 2,-0.2 -1,-0.2 0.910 102.5 53.0 -62.7 -43.5 46.6 23.5 -2.6 96 136 A Q H >< S+ 0 0 85 -4,-2.1 3,-1.4 1,-0.2 4,-0.4 0.918 109.1 49.2 -57.8 -43.9 47.5 20.8 -5.2 97 137 A D H >< S+ 0 0 81 -4,-1.4 3,-1.3 1,-0.2 5,-0.3 0.828 99.6 68.7 -58.6 -33.0 51.2 21.5 -4.5 98 138 A S T 3< S+ 0 0 0 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.537 85.7 68.8 -67.1 -4.3 50.4 21.2 -0.8 99 139 A F T < S+ 0 0 19 -3,-1.4 -87,-2.8 -4,-0.2 -86,-0.3 0.748 88.3 81.4 -86.0 -27.9 49.8 17.4 -1.3 100 140 A D S < S- 0 0 76 -3,-1.3 2,-0.4 -4,-0.4 3,-0.3 -0.245 86.1-123.2 -67.5 162.5 53.5 16.8 -1.9 101 141 A A S S+ 0 0 44 1,-0.2 -3,-0.1 2,-0.1 -1,-0.1 -0.508 74.3 119.4-104.0 59.8 56.2 16.4 0.7 102 142 A S S S- 0 0 67 -2,-0.4 -1,-0.2 2,-0.3 81,-0.1 0.524 87.9-101.1-102.5 -14.2 58.2 19.3 -0.8 103 143 A G S S+ 0 0 7 1,-0.3 2,-0.5 -3,-0.3 80,-0.2 0.323 93.5 104.0 102.7 -8.7 58.3 21.9 2.1 104 144 A F + 0 0 70 -7,-0.2 -2,-0.3 78,-0.1 -1,-0.3 -0.950 35.1 155.6-107.5 125.7 55.5 24.1 0.6 105 145 A N > - 0 0 0 -2,-0.5 4,-2.7 1,-0.1 5,-0.1 -0.731 19.7-175.2-153.8 100.6 52.1 23.9 2.2 106 146 A L H > S+ 0 0 25 -12,-0.4 4,-2.5 -2,-0.2 5,-0.2 0.855 87.9 53.8 -62.4 -40.7 49.7 26.8 1.9 107 147 A V H > S+ 0 0 0 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.960 111.9 43.2 -60.8 -53.0 47.1 25.1 4.2 108 148 A V H > S+ 0 0 0 1,-0.2 4,-3.1 2,-0.2 -2,-0.2 0.904 111.6 56.8 -58.9 -41.8 49.6 24.6 7.0 109 149 A H H X S+ 0 0 18 -4,-2.7 4,-1.7 1,-0.2 -1,-0.2 0.930 111.0 42.3 -51.8 -50.6 50.9 28.1 6.4 110 150 A E H X S+ 0 0 49 -4,-2.5 4,-1.8 2,-0.2 -2,-0.2 0.895 112.9 52.2 -69.9 -38.2 47.5 29.6 6.9 111 151 A V H X S+ 0 0 0 -4,-2.7 4,-2.7 1,-0.2 5,-0.2 0.936 105.6 56.0 -61.6 -43.6 46.7 27.4 9.9 112 152 A A H X S+ 0 0 0 -4,-3.1 4,-2.2 1,-0.2 -1,-0.2 0.897 105.6 51.7 -54.2 -44.4 50.0 28.4 11.5 113 153 A H H X S+ 0 0 42 -4,-1.7 4,-2.2 1,-0.2 -1,-0.2 0.882 109.9 49.2 -59.1 -41.7 48.9 32.1 11.2 114 154 A K H X S+ 0 0 28 -4,-1.8 4,-0.8 2,-0.2 -2,-0.2 0.902 111.1 48.9 -66.4 -40.3 45.6 31.2 12.9 115 155 A L H < S+ 0 0 0 -4,-2.7 12,-0.5 1,-0.2 3,-0.3 0.879 111.5 51.1 -64.8 -36.0 47.4 29.4 15.7 116 156 A D H < S+ 0 0 2 -4,-2.2 -2,-0.2 -5,-0.2 -1,-0.2 0.918 115.0 40.8 -64.5 -48.4 49.7 32.4 16.1 117 157 A T H < 0 0 48 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.398 360.0 360.0 -87.8 -2.5 46.9 35.0 16.4 118 158 A R < 0 0 100 -4,-0.8 -1,-0.2 -3,-0.3 -2,-0.2 0.930 360.0 360.0 -69.4 360.0 44.7 32.7 18.6 119 ! 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 0.0 120 161 A D 0 0 103 0, 0.0 2,-0.2 0, 0.0 7,-0.0 0.000 360.0 360.0 360.0 156.2 46.7 37.8 20.3 121 162 A R - 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0 0 28 -4,-1.6 4,-1.6 -5,-0.6 -1,-0.2 -0.071 32.5 -77.5 100.9 160.1 71.4 34.9 -2.4 156 197 A E T 4 S+ 0 0 120 1,-0.2 -1,-0.1 2,-0.2 -4,-0.1 0.892 124.8 52.2 -60.9 -42.7 67.6 34.6 -2.2 157 198 A S T 4 S+ 0 0 126 1,-0.2 -1,-0.2 -3,-0.1 -2,-0.1 0.947 114.5 40.1 -62.7 -51.0 67.2 32.2 -5.0 158 199 A A T 4 S+ 0 0 74 -4,-0.4 -1,-0.2 -7,-0.1 -2,-0.2 0.714 99.8 94.3 -71.6 -23.5 69.7 29.6 -3.7 159 200 A A S < S- 0 0 8 -4,-1.6 -12,-0.0 1,-0.1 4,-0.0 -0.337 78.3-129.1 -67.9 150.0 68.5 30.1 -0.1 160 201 A S S S+ 0 0 48 1,-0.1 2,-0.3 26,-0.0 -1,-0.1 0.999 87.4 41.4 -52.5 -65.8 65.9 27.7 1.3 161 202 A I S S- 0 0 2 1,-0.1 -1,-0.1 -14,-0.1 -10,-0.1 -0.600 85.6-108.3-105.4 139.6 63.6 30.5 2.7 162 203 A D >> - 0 0 70 -2,-0.3 3,-1.0 1,-0.1 4,-0.8 -0.226 34.9-112.9 -56.7 147.5 62.3 33.8 1.3 163 204 A A T 34 S+ 0 0 21 1,-0.2 4,-0.3 2,-0.2 -1,-0.1 0.526 112.9 70.6 -64.2 -8.6 63.7 37.0 3.0 164 205 A Y T >> S+ 0 0 126 2,-0.2 4,-2.9 1,-0.2 3,-1.4 0.934 96.5 50.7 -74.2 -42.4 60.2 37.7 4.4 165 206 A A T <4 S+ 0 0 0 -3,-1.0 7,-0.2 1,-0.3 -2,-0.2 0.749 107.5 54.7 -61.6 -27.5 60.6 34.7 6.8 166 207 A A T 3< S+ 0 0 9 -4,-0.8 -1,-0.3 -19,-0.1 -2,-0.2 0.657 118.7 35.2 -76.4 -13.5 64.0 36.2 7.9 167 208 A T T <4 S+ 0 0 95 -3,-1.4 -2,-0.2 -4,-0.3 -3,-0.1 0.811 111.1 52.3-109.8 -44.2 62.2 39.5 8.7 168 209 A D X - 0 0 42 -4,-2.9 4,-2.5 1,-0.1 -1,-0.2 -0.894 63.3-154.0-103.9 118.3 58.7 38.9 10.1 169 210 A P H > S+ 0 0 31 0, 0.0 4,-2.4 0, 0.0 5,-0.2 0.862 97.3 55.2 -59.5 -33.0 58.5 36.4 13.0 170 211 A A H > S+ 0 0 3 -48,-0.3 4,-2.0 1,-0.2 5,-0.1 0.914 109.4 46.5 -63.9 -44.1 54.9 35.5 12.1 171 212 A E H > S+ 0 0 25 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.913 110.6 53.1 -64.7 -41.4 56.0 34.6 8.7 172 213 A C H X S+ 0 0 1 -4,-2.5 4,-2.6 -8,-0.2 5,-0.2 0.912 108.6 49.7 -59.2 -43.3 59.0 32.6 10.1 173 214 A F H X S+ 0 0 0 -4,-2.4 4,-1.8 1,-0.2 -1,-0.2 0.921 113.2 47.4 -59.6 -43.4 56.6 30.6 12.3 174 215 A A H X S+ 0 0 0 -4,-2.0 4,-1.5 2,-0.2 -2,-0.2 0.876 113.6 45.4 -71.2 -40.5 54.4 29.9 9.4 175 216 A V H X S+ 0 0 7 -4,-2.6 4,-2.3 2,-0.2 -1,-0.2 0.916 112.7 49.9 -68.8 -46.5 57.1 28.8 7.0 176 217 A L H X S+ 0 0 0 -4,-2.6 4,-2.6 -5,-0.2 -2,-0.2 0.837 107.8 56.0 -62.9 -30.5 58.9 26.6 9.6 177 218 A S H X S+ 0 0 0 -4,-1.8 4,-1.9 -5,-0.2 -1,-0.2 0.881 104.8 52.1 -64.8 -41.7 55.5 25.0 10.3 178 219 A E H X S+ 0 0 14 -4,-1.5 4,-2.4 2,-0.2 5,-0.4 0.940 113.2 44.6 -55.7 -48.4 55.2 24.2 6.6 179 220 A Y H X S+ 0 0 20 -4,-2.3 4,-1.8 3,-0.2 -2,-0.2 0.901 107.0 60.3 -61.1 -41.6 58.7 22.6 6.9 180 221 A F H < S+ 0 0 0 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.914 119.2 26.8 -53.2 -48.0 57.7 20.8 10.1 181 222 A F H < S+ 0 0 15 -4,-1.9 -1,-0.2 2,-0.1 -2,-0.2 0.798 134.1 30.6 -87.1 -31.3 54.9 19.0 8.4 182 223 A S H < S+ 0 0 1 -4,-2.4 -3,-0.2 -5,-0.2 -2,-0.2 0.779 135.4 8.5-104.7 -35.0 56.1 18.8 4.7 183 224 A A >< + 0 0 1 -4,-1.8 3,-1.9 -5,-0.4 4,-0.2 -0.461 61.8 164.6-148.0 67.2 60.0 18.7 4.8 184 225 A P G >> S+ 0 0 3 0, 0.0 4,-2.9 0, 0.0 3,-1.6 0.702 72.6 71.8 -63.9 -19.7 61.2 18.2 8.4 185 226 A E G 34 S+ 0 0 85 1,-0.3 5,-0.1 2,-0.2 -5,-0.1 0.728 94.8 54.6 -64.5 -23.6 64.7 17.3 7.2 186 227 A L G <4 S+ 0 0 69 -3,-1.9 -1,-0.3 -7,-0.2 -6,-0.1 0.525 121.0 30.4 -80.7 -6.2 65.0 21.0 6.2 187 228 A F T X> S+ 0 0 0 -3,-1.6 4,-2.8 -4,-0.2 3,-0.6 0.774 108.6 57.1-120.6 -59.4 64.2 22.0 9.8 188 229 A A T 3< S+ 0 0 12 -4,-2.9 7,-0.2 1,-0.2 -3,-0.1 0.881 111.3 41.4 -52.8 -52.1 65.3 19.4 12.5 189 230 A P T 34 S+ 0 0 97 0, 0.0 -1,-0.2 0, 0.0 -3,-0.1 0.813 120.7 43.8 -70.0 -22.3 69.0 19.2 11.7 190 231 A R T <4 S+ 0 0 71 -3,-0.6 -2,-0.2 1,-0.2 -3,-0.1 0.849 125.2 26.2 -90.3 -39.5 69.3 23.0 11.1 191 232 A F X + 0 0 14 -4,-2.8 4,-3.0 1,-0.1 -1,-0.2 -0.632 68.4 165.9-124.6 71.0 67.3 24.4 14.1 192 233 A P H > S+ 0 0 79 0, 0.0 4,-1.3 0, 0.0 -1,-0.1 0.835 76.1 45.4 -60.6 -35.8 67.5 21.7 16.8 193 234 A A H > S+ 0 0 53 2,-0.2 4,-1.8 1,-0.2 5,-0.1 0.934 117.4 42.8 -74.3 -50.0 66.3 23.9 19.7 194 235 A L H > S+ 0 0 4 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.897 110.5 57.6 -61.2 -41.8 63.4 25.4 17.8 195 236 A W H X S+ 0 0 14 -4,-3.0 4,-2.2 1,-0.2 -1,-0.2 0.892 106.0 50.8 -55.6 -38.8 62.5 22.0 16.3 196 237 A Q H X S+ 0 0 94 -4,-1.3 4,-1.9 -5,-0.2 -1,-0.2 0.917 109.1 49.5 -69.0 -43.2 62.1 20.7 19.9 197 238 A R H X S+ 0 0 61 -4,-1.8 4,-2.4 2,-0.2 -1,-0.2 0.862 110.5 50.5 -61.7 -38.3 59.8 23.6 20.8 198 239 A F H X S+ 0 0 0 -4,-2.5 4,-2.9 2,-0.2 6,-0.3 0.888 108.5 53.0 -66.5 -42.2 57.7 23.0 17.7 199 240 A C H X>S+ 0 0 13 -4,-2.2 4,-1.2 -5,-0.2 5,-0.8 0.897 112.8 44.7 -55.9 -40.7 57.5 19.2 18.6 200 241 A H H <5S+ 0 0 138 -4,-1.9 -2,-0.2 2,-0.2 -1,-0.2 0.876 116.0 45.5 -73.3 -40.4 56.2 20.2 22.0 201 242 A F H <5S+ 0 0 16 -4,-2.4 -2,-0.2 1,-0.2 -3,-0.2 0.956 121.2 36.8 -66.3 -53.7 53.8 22.8 20.8 202 243 A Y H <5S- 0 0 0 -4,-2.9 -139,-0.4 2,-0.2 -2,-0.2 0.673 98.1-137.4 -73.0 -16.2 52.3 20.6 18.0 203 244 A R T <5S+ 0 0 151 -4,-1.2 2,-0.3 -5,-0.3 -3,-0.2 0.806 70.8 103.2 59.8 34.3 52.5 17.4 20.1 204 245 A Q < - 0 0 9 -5,-0.8 -1,-0.3 -6,-0.3 -2,-0.2 -0.966 58.7-156.5-140.2 150.5 53.8 15.6 17.0 205 246 A D > - 0 0 57 -2,-0.3 4,-1.8 -3,-0.1 3,-0.0 -0.844 9.7-175.6-128.1 92.9 57.3 14.5 15.8 206 247 A P H > S+ 0 0 10 0, 0.0 4,-0.9 0, 0.0 -1,-0.1 0.696 82.8 52.3 -63.5 -21.5 57.2 14.2 12.0 207 248 A L H > S+ 0 0 47 2,-0.2 4,-1.2 1,-0.1 3,-0.4 0.881 106.6 50.5 -79.6 -45.7 60.7 12.8 11.8 208 249 A A H >> S+ 0 0 14 1,-0.2 4,-2.0 2,-0.2 3,-0.5 0.903 105.8 62.1 -54.2 -40.5 60.1 10.0 14.3 209 250 A R H 3< S+ 0 0 20 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.857 97.5 53.9 -53.0 -46.5 57.1 9.3 12.1 210 251 A R H 3< S+ 0 0 87 -4,-0.9 -1,-0.2 -3,-0.4 -2,-0.2 0.827 107.9 51.4 -58.9 -36.1 59.2 8.5 9.0 211 252 A R H << 0 0 187 -4,-1.2 -2,-0.2 -3,-0.5 -1,-0.2 0.978 360.0 360.0 -62.9 -55.6 61.2 5.9 11.0 212 253 A E < 0 0 184 -4,-2.0 0, 0.0 -197,-0.1 0, 0.0 0.061 360.0 360.0 -65.8 360.0 58.1 4.1 12.3