==== 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 14-NOV-08 3F9O . COMPND 2 MOLECULE: BETA-LACTAMASE; . SOURCE 2 ORGANISM_SCIENTIFIC: AEROMONAS HYDROPHILA; . AUTHOR H.DELBRUCK,K.M.V.HOFFMANN . 226 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9935.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 159 70.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 18 8.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 37 16.4 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 3 1.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.4 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-3), SAME NUMBER PER 100 RESIDUES . 1 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 1 0.4 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 . 19 8.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 18 8.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 56 24.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 1.3 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 1 0 0 0 0 2 0 0 1 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 3 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 PARALLEL BRIDGES PER LADDER . 1 1 3 1 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 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 0 1 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 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 41 A A 0 0 119 0, 0.0 17,-0.1 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 165.0 11.6 37.3 -6.9 2 42 A G + 0 0 39 1,-0.2 16,-2.2 15,-0.1 2,-0.3 0.866 360.0 8.9 -61.3 -38.5 10.3 39.7 -4.2 3 43 A M E S-A 17 0A 14 14,-0.2 2,-0.3 15,-0.1 -1,-0.2 -0.996 70.1-166.4-142.5 146.3 10.4 36.7 -1.8 4 44 A S E -A 16 0A 33 12,-1.9 12,-2.0 -2,-0.3 2,-0.4 -0.961 10.1-158.4-132.2 150.7 11.9 33.3 -1.9 5 45 A L E +A 15 0A 29 -2,-0.3 2,-0.4 10,-0.2 10,-0.2 -0.989 25.3 174.7-129.0 116.9 11.5 30.1 0.2 6 46 A T E -A 14 0A 71 8,-2.5 8,-3.1 -2,-0.4 2,-0.2 -0.985 32.6-112.4-138.1 134.3 14.4 27.7 -0.2 7 47 A Q E +A 13 0A 111 -2,-0.4 6,-0.3 6,-0.2 3,-0.1 -0.432 30.8 170.0 -65.8 126.8 15.4 24.4 1.4 8 48 A V E S- 0 0 39 4,-2.7 2,-0.3 -2,-0.2 5,-0.2 0.806 74.1 -14.2 -95.5 -52.2 18.6 24.6 3.5 9 49 A S E > S-A 12 0A 48 3,-2.0 3,-2.8 1,-0.1 -1,-0.2 -0.876 103.8 -53.9-159.4 120.7 18.3 21.1 5.2 10 50 A G T 3 S- 0 0 40 -2,-0.3 -1,-0.1 1,-0.3 -2,-0.1 -0.230 126.6 -4.3 50.5-121.2 15.5 18.6 5.4 11 51 A P T 3 S+ 0 0 35 0, 0.0 18,-2.2 0, 0.0 2,-0.6 0.411 114.2 101.9 -81.6 4.4 12.4 20.4 6.9 12 52 A V E < +AB 9 28A 0 -3,-2.8 -4,-2.7 16,-0.2 -3,-2.0 -0.820 49.7 178.2 -99.6 121.5 14.5 23.7 7.5 13 53 A Y E -AB 7 27A 42 14,-3.0 14,-2.1 -2,-0.6 2,-0.4 -0.868 21.3-137.2-122.4 149.2 14.0 26.5 4.9 14 54 A V E -AB 6 26A 2 -8,-3.1 -8,-2.5 -2,-0.3 2,-0.5 -0.896 11.6-150.4-107.1 138.3 15.3 30.0 4.5 15 55 A V E -AB 5 25A 0 10,-3.4 10,-2.0 -2,-0.4 2,-0.7 -0.936 3.6-162.4-105.3 121.8 13.2 32.9 3.6 16 56 A E E -AB 4 24A 52 -12,-2.0 -12,-1.9 -2,-0.5 2,-0.8 -0.937 7.9-169.8-103.3 110.0 14.8 35.8 1.6 17 57 A D E -AB 3 23A 0 6,-2.9 6,-2.3 -2,-0.7 -14,-0.2 -0.884 7.8-177.8-103.6 103.1 12.5 38.8 2.0 18 58 A N + 0 0 65 -16,-2.2 4,-0.2 -2,-0.8 -15,-0.1 0.359 43.1 118.6 -88.3 6.1 13.8 41.4 -0.4 19 59 A Y S S- 0 0 65 -17,-0.3 4,-0.2 2,-0.1 -2,-0.1 -0.449 87.3 -23.6 -67.8 144.2 11.1 43.9 0.6 20 60 A Y S S- 0 0 74 -2,-0.1 2,-0.5 2,-0.1 3,-0.0 -0.304 139.8 -0.2 57.4-125.7 12.5 47.2 2.1 21 67 A V S S- 0 0 83 1,-0.1 -2,-0.1 -2,-0.0 -4,-0.1 -0.874 102.2 -99.7 -89.3 125.3 16.0 46.3 3.4 22 68 A Q - 0 0 58 -2,-0.5 183,-0.5 -4,-0.2 2,-0.4 -0.151 47.8-178.2 -51.4 129.2 16.5 42.6 2.7 23 69 A E E -BC 17 204A 0 -6,-2.3 -6,-2.9 -4,-0.2 2,-0.5 -0.973 16.5-143.0-126.9 145.9 15.8 40.4 5.7 24 70 A N E +B 16 0A 0 179,-2.3 -8,-0.2 -2,-0.4 2,-0.2 -0.928 23.5 168.5-112.1 132.9 16.1 36.6 6.0 25 71 A S E -B 15 0A 0 -10,-2.0 -10,-3.4 -2,-0.5 2,-0.3 -0.618 21.8-125.3-125.8-176.4 13.7 34.5 8.1 26 72 A M E -BD 14 37A 0 11,-2.5 11,-2.9 -12,-0.3 2,-0.4 -0.907 8.6-155.7-137.8 164.9 13.1 30.8 8.3 27 73 A V E -BD 13 36A 0 -14,-2.1 -14,-3.0 -2,-0.3 2,-0.5 -0.996 4.7-159.8-140.5 136.6 10.4 28.1 8.1 28 74 A Y E -BD 12 35A 18 7,-2.8 7,-2.6 -2,-0.4 2,-0.9 -0.984 10.0-150.3-119.6 121.2 10.3 24.7 9.6 29 75 A F E + D 0 34A 31 -18,-2.2 5,-0.2 -2,-0.5 2,-0.1 -0.798 30.3 179.7 -94.0 101.9 7.9 22.1 8.1 30 76 A G - 0 0 10 3,-2.2 29,-0.1 -2,-0.9 105,-0.0 -0.317 42.2 -95.7-100.3-179.7 6.9 19.9 11.0 31 77 A A S S+ 0 0 61 1,-0.2 3,-0.1 -2,-0.1 -1,-0.0 0.910 124.0 29.4 -62.8 -46.1 4.7 16.9 11.6 32 78 A K S S- 0 0 171 1,-0.3 2,-0.3 27,-0.1 -1,-0.2 0.672 130.8 -67.2 -90.7 -20.5 1.6 18.8 12.7 33 79 A G - 0 0 0 26,-0.2 -3,-2.2 28,-0.0 2,-0.4 -0.995 67.2 -32.4 161.4-158.6 2.4 21.9 10.7 34 80 A V E -De 29 61A 0 26,-2.7 28,-2.3 -2,-0.3 29,-1.2 -0.741 30.0-162.2-107.4 133.8 4.6 24.9 10.0 35 81 A T E -De 28 63A 0 -7,-2.6 -7,-2.8 -2,-0.4 2,-0.4 -0.960 12.5-156.2-109.0 125.3 6.7 27.1 12.3 36 82 A V E -De 27 64A 0 27,-2.8 29,-2.6 -2,-0.5 2,-0.6 -0.872 1.4-155.9 -98.5 134.9 7.7 30.5 10.9 37 83 A V E S+De 26 65A 0 -11,-2.9 -11,-2.5 -2,-0.4 29,-0.1 -0.937 74.7 19.0-114.7 108.0 10.8 32.1 12.5 38 84 A G S S- 0 0 0 27,-2.3 -1,-0.2 -2,-0.6 28,-0.2 0.500 74.5-131.3 94.1 116.3 10.7 35.9 11.9 39 85 A A - 0 0 0 34,-2.3 34,-0.2 26,-0.2 35,-0.2 0.566 45.6-124.8 -75.6 -6.2 7.3 37.3 11.1 40 86 A T - 0 0 0 32,-0.6 36,-1.8 1,-0.1 35,-0.3 0.004 35.5 -65.7 71.1 171.3 8.7 39.3 8.1 41 87 A W S S+ 0 0 14 34,-0.2 -1,-0.1 33,-0.1 33,-0.1 0.799 104.5 0.1 -62.8 -42.7 8.4 43.1 7.5 42 88 A T S > S- 0 0 2 -3,-0.1 4,-2.6 30,-0.1 34,-0.3 -0.925 73.3 -98.4-143.8 166.5 4.7 43.7 7.0 43 89 A P H > S+ 0 0 37 0, 0.0 4,-2.3 0, 0.0 5,-0.1 0.887 124.8 53.9 -56.2 -34.2 1.3 42.0 6.8 44 90 A D H > S+ 0 0 86 2,-0.2 4,-2.1 1,-0.2 5,-0.1 0.926 108.7 45.5 -64.6 -47.4 1.8 42.1 3.0 45 91 A T H > S+ 0 0 0 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.887 111.8 53.9 -66.2 -34.3 5.2 40.4 3.1 46 92 A A H X S+ 0 0 0 -4,-2.6 4,-2.8 2,-0.2 -2,-0.2 0.932 107.7 49.8 -62.0 -45.6 3.7 37.8 5.6 47 93 A R H X S+ 0 0 137 -4,-2.3 4,-2.2 1,-0.2 -2,-0.2 0.903 109.6 52.5 -58.6 -42.0 0.9 37.0 3.1 48 94 A E H X S+ 0 0 51 -4,-2.1 4,-1.6 2,-0.2 -1,-0.2 0.915 110.5 46.9 -61.1 -43.5 3.5 36.6 0.4 49 95 A L H X S+ 0 0 0 -4,-2.3 4,-2.3 1,-0.2 -2,-0.2 0.913 109.5 53.8 -63.0 -42.4 5.4 34.1 2.5 50 96 A H H X S+ 0 0 18 -4,-2.8 4,-2.4 1,-0.2 -2,-0.2 0.887 104.8 55.4 -61.0 -36.7 2.2 32.3 3.3 51 97 A K H X S+ 0 0 110 -4,-2.2 4,-0.7 1,-0.2 -1,-0.2 0.892 109.0 46.9 -63.5 -40.4 1.5 31.9 -0.4 52 98 A L H >X S+ 0 0 49 -4,-1.6 4,-0.6 2,-0.2 3,-0.6 0.891 110.7 53.4 -64.2 -41.4 5.0 30.3 -0.9 53 99 A I H >X S+ 0 0 1 -4,-2.3 4,-2.5 1,-0.2 3,-1.5 0.921 104.2 54.4 -60.8 -44.0 4.3 28.0 2.1 54 100 A K H 3< S+ 0 0 141 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.690 102.1 58.3 -69.1 -18.0 0.9 26.8 0.7 55 102 A R H << S+ 0 0 224 -4,-0.7 -1,-0.3 -3,-0.6 -2,-0.2 0.666 116.0 35.9 -78.8 -17.4 2.7 25.7 -2.6 56 103 A V H << S+ 0 0 75 -3,-1.5 2,-0.3 -4,-0.6 -2,-0.2 0.742 126.7 18.2-102.4 -36.0 5.0 23.4 -0.5 57 104 A S < - 0 0 23 -4,-2.5 -1,-0.3 2,-0.1 -23,-0.0 -0.997 44.9-155.4-144.4 142.8 2.7 22.1 2.2 58 105 A R + 0 0 243 -2,-0.3 -4,-0.1 -3,-0.1 -1,-0.1 0.524 67.4 110.4 -87.6 -8.3 -1.1 21.8 3.0 59 106 A K S S- 0 0 86 1,-0.1 -26,-0.2 -29,-0.1 -2,-0.1 -0.286 76.8 -96.9 -72.5 152.8 -0.4 21.8 6.8 60 108 A P - 0 0 80 0, 0.0 -26,-2.7 0, 0.0 2,-0.8 -0.316 28.3-113.5 -70.1 150.0 -1.4 24.7 8.9 61 109 A V E -e 34 0A 12 -28,-0.2 -26,-0.2 1,-0.2 3,-0.1 -0.780 38.3-175.7 -75.2 111.3 0.9 27.5 10.0 62 110 A L E - 0 0 46 -28,-2.3 24,-2.4 -2,-0.8 2,-0.3 0.871 53.5 -12.2 -80.4 -40.8 0.9 26.8 13.7 63 111 A E E -ef 35 86A 24 -29,-1.2 -27,-2.8 22,-0.3 2,-0.4 -0.993 47.6-144.6-164.5 153.8 3.0 29.6 15.0 64 112 A V E -ef 36 87A 0 22,-2.4 24,-3.6 -2,-0.3 2,-0.5 -0.998 20.9-141.5-129.2 130.5 5.3 32.5 14.2 65 113 A I E -ef 37 88A 0 -29,-2.6 -27,-2.3 -2,-0.4 2,-1.0 -0.836 2.2-149.7 -96.6 124.1 8.2 33.5 16.4 66 114 A N - 0 0 0 22,-3.2 24,-0.4 -2,-0.5 8,-0.1 -0.843 12.8-169.1 -84.4 102.9 9.1 37.2 16.9 67 115 A T S S- 0 0 0 -2,-1.0 85,-2.2 6,-0.3 2,-0.3 0.642 73.2 -2.4 -77.1 -15.2 12.8 36.7 17.5 68 116 A N S S- 0 0 1 83,-0.2 -30,-0.0 2,-0.2 -1,-0.0 -0.919 80.5-103.0-152.4-176.9 13.0 40.4 18.6 69 117 A Y S S+ 0 0 19 -2,-0.3 35,-0.1 -3,-0.1 5,-0.1 0.430 78.9 116.5 -89.5 2.2 10.4 43.2 18.9 70 118 A H S >> S- 0 0 11 1,-0.1 4,-1.6 3,-0.0 3,-1.1 -0.191 78.7-109.0 -75.6 162.8 11.6 45.1 15.8 71 119 A T H 3> S+ 0 0 4 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.832 116.5 56.3 -57.6 -38.4 9.6 45.7 12.6 72 120 A D H 34 S+ 0 0 10 1,-0.2 -32,-0.6 2,-0.2 -1,-0.2 0.715 117.5 34.1 -71.8 -17.0 11.6 43.2 10.5 73 121 A R H <4 S+ 0 0 0 -3,-1.1 -34,-2.3 -34,-0.2 -6,-0.3 0.550 134.3 23.9-108.3 -13.3 10.9 40.4 13.0 74 122 A A H >< S+ 0 0 2 -4,-1.6 3,-1.7 -36,-0.2 4,-0.2 0.410 87.9 98.8-132.2 -3.8 7.3 41.3 14.0 75 123 A G T 3< S+ 0 0 4 -4,-2.2 3,-0.5 -5,-0.3 -34,-0.2 0.798 82.1 57.7 -62.2 -28.5 5.8 43.5 11.3 76 124 A G T >> S+ 0 0 0 -36,-1.8 4,-1.5 -34,-0.3 3,-1.3 0.562 75.1 105.1 -75.8 -7.7 3.9 40.6 9.8 77 125 A N H <> S+ 0 0 3 -3,-1.7 4,-3.0 1,-0.3 5,-0.3 0.777 70.1 59.7 -48.2 -44.4 2.0 39.8 13.0 78 126 A A H 3> S+ 0 0 43 -3,-0.5 4,-1.7 1,-0.2 -1,-0.3 0.898 109.4 45.3 -52.7 -43.3 -1.4 41.2 12.0 79 127 A Y H <> S+ 0 0 19 -3,-1.3 4,-1.2 2,-0.2 -1,-0.2 0.933 112.0 49.8 -67.4 -45.9 -1.5 38.8 9.1 80 128 A W H ><>S+ 0 0 0 -4,-1.5 5,-2.1 1,-0.2 3,-0.6 0.917 111.7 49.2 -62.3 -41.7 -0.4 35.7 11.1 81 129 A K H ><5S+ 0 0 73 -4,-3.0 3,-1.5 1,-0.2 -1,-0.2 0.886 105.3 60.0 -60.8 -38.9 -3.0 36.5 13.8 82 130 A S H 3<5S+ 0 0 83 -4,-1.7 -1,-0.2 -5,-0.3 -2,-0.2 0.766 106.3 45.5 -64.2 -28.0 -5.6 36.8 11.0 83 131 A I T <<5S- 0 0 61 -4,-1.2 -1,-0.3 -3,-0.6 -2,-0.2 0.343 121.2-106.1 -96.0 5.6 -5.1 33.2 9.9 84 133 A G T < 5 + 0 0 65 -3,-1.5 2,-0.3 1,-0.3 -3,-0.2 0.628 68.7 148.3 82.4 14.2 -5.1 31.9 13.5 85 134 A A < - 0 0 2 -5,-2.1 -1,-0.3 -6,-0.2 -22,-0.3 -0.614 51.8-114.1 -77.0 138.9 -1.4 31.3 13.8 86 135 A K E -f 63 0A 113 -24,-2.4 -22,-2.4 -2,-0.3 2,-0.5 -0.442 21.6-141.3 -66.8 146.2 0.1 31.7 17.3 87 136 A V E -f 64 0A 0 -24,-0.2 38,-2.2 35,-0.1 37,-1.6 -0.975 25.2-162.9-114.6 119.1 2.5 34.6 17.6 88 137 A V E +fg 65 125A 1 -24,-3.6 -22,-3.2 -2,-0.5 2,-0.3 -0.831 21.5 138.5-116.7 134.8 5.3 33.6 19.9 89 138 A S E - g 0 126A 0 36,-2.2 38,-2.4 -2,-0.4 2,-0.1 -0.966 49.6 -89.1-155.2 173.7 8.0 35.5 21.8 90 139 A T E > - g 0 127A 12 -24,-0.4 4,-2.1 -2,-0.3 38,-0.2 -0.458 44.5-109.7 -77.0 161.6 9.8 35.8 25.1 91 140 A R H > S+ 0 0 109 36,-2.2 4,-2.8 2,-0.2 5,-0.2 0.898 119.7 54.9 -56.7 -44.2 8.3 38.0 27.8 92 141 A Q H > S+ 0 0 68 35,-0.3 4,-2.9 1,-0.2 5,-0.3 0.935 108.1 48.6 -57.3 -47.6 11.1 40.6 27.3 93 142 A T H > S+ 0 0 0 1,-0.2 4,-2.5 57,-0.2 -1,-0.2 0.925 113.0 47.3 -60.0 -43.9 10.3 40.8 23.6 94 143 A R H X S+ 0 0 67 -4,-2.1 4,-2.2 2,-0.2 -1,-0.2 0.911 113.5 47.8 -62.7 -44.2 6.6 41.2 24.3 95 144 A D H X S+ 0 0 74 -4,-2.8 4,-2.1 2,-0.2 -2,-0.2 0.907 114.0 46.2 -66.5 -43.8 7.2 43.9 27.0 96 145 A L H X S+ 0 0 38 -4,-2.9 4,-3.2 -5,-0.2 -1,-0.2 0.879 110.6 54.1 -65.5 -36.2 9.6 45.8 24.8 97 146 A M H X S+ 0 0 1 -4,-2.5 4,-1.8 -5,-0.3 5,-0.2 0.931 109.1 48.2 -63.7 -43.8 7.2 45.6 21.9 98 147 A K H < S+ 0 0 150 -4,-2.2 4,-0.2 1,-0.2 -2,-0.2 0.918 121.4 36.0 -60.7 -44.2 4.4 47.1 24.1 99 148 A S H < S+ 0 0 75 -4,-2.1 -2,-0.2 -5,-0.1 -1,-0.2 0.852 131.1 26.0 -78.8 -35.2 6.6 49.9 25.3 100 149 A D H X S+ 0 0 43 -4,-3.2 4,-2.4 -5,-0.2 5,-0.2 0.349 83.9 100.7-120.4 7.1 8.6 50.6 22.2 101 150 A W H X S+ 0 0 13 -4,-1.8 4,-2.8 1,-0.2 5,-0.2 0.918 85.6 52.1 -61.4 -46.0 6.7 49.5 19.0 102 151 A A H > S+ 0 0 78 -4,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.907 112.4 47.3 -57.6 -41.3 5.6 53.1 18.2 103 152 A E H > S+ 0 0 132 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.909 112.1 47.2 -69.1 -43.4 9.2 54.2 18.4 104 153 A I H X S+ 0 0 15 -4,-2.4 4,-2.2 2,-0.2 -2,-0.2 0.876 112.5 51.0 -68.5 -33.6 10.7 51.4 16.3 105 154 A V H X S+ 0 0 3 -4,-2.8 4,-2.3 -5,-0.2 -2,-0.2 0.953 111.8 47.3 -63.8 -49.4 7.9 51.9 13.7 106 155 A A H X S+ 0 0 63 -4,-2.4 4,-0.9 -5,-0.2 -2,-0.2 0.906 112.9 49.0 -54.2 -45.6 8.8 55.7 13.6 107 156 A F H X S+ 0 0 83 -4,-2.6 4,-1.2 1,-0.2 3,-0.4 0.883 109.3 52.1 -66.1 -38.1 12.5 54.9 13.3 108 157 A T H X S+ 0 0 12 -4,-2.2 4,-2.4 1,-0.2 3,-0.2 0.925 107.8 52.2 -61.4 -43.4 11.8 52.4 10.5 109 158 A R H < S+ 0 0 93 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.675 97.7 67.8 -71.2 -16.4 9.9 55.1 8.6 110 159 A K H < S+ 0 0 168 -4,-0.9 -1,-0.2 -3,-0.4 -2,-0.2 0.974 116.3 24.4 -62.8 -54.8 12.8 57.5 8.9 111 160 A G H < S+ 0 0 64 -4,-1.2 -2,-0.2 1,-0.2 -1,-0.2 0.757 137.1 36.3 -81.5 -25.2 15.0 55.4 6.6 112 161 A L >< + 0 0 23 -4,-2.4 3,-2.5 -5,-0.2 -1,-0.2 -0.675 62.6 171.7-128.8 75.6 12.0 53.8 4.8 113 162 A P T 3 S+ 0 0 89 0, 0.0 -1,-0.1 0, 0.0 -4,-0.1 0.795 80.2 63.2 -57.4 -27.3 9.2 56.4 4.5 114 163 A E T 3 S+ 0 0 124 -3,-0.1 -5,-0.1 2,-0.1 -2,-0.0 0.635 79.3 107.4 -68.5 -17.3 7.3 54.0 2.3 115 164 A Y S < S- 0 0 1 -3,-2.5 -73,-0.0 -7,-0.2 -3,-0.0 -0.398 79.6-106.5 -67.2 137.6 7.0 51.5 5.2 116 165 A P - 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