==== 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 18-AUG-04 1X8H . COMPND 2 MOLECULE: BETA-LACTAMASE; . SOURCE 2 ORGANISM_SCIENTIFIC: AEROMONAS HYDROPHILA; . AUTHOR G.GARAU,O.DIDEBERG . 227 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9778.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 155 68.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 18 7.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 35 15.4 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 . 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 . 15 6.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 21 9.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 55 24.2 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 1 0 0 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 . 0 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 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 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 3,-0.2 0, 0.0 17,-0.1 0.000 360.0 360.0 360.0 161.0 11.4 37.5 52.1 2 42 A G + 0 0 37 1,-0.3 16,-2.2 15,-0.1 2,-0.3 0.813 360.0 9.1 -64.4 -32.4 10.1 39.8 54.8 3 43 A M E -A 17 0A 15 14,-0.2 2,-0.3 15,-0.1 -1,-0.3 -0.987 69.1-163.4-149.9 139.7 10.4 36.9 57.2 4 44 A S E -A 16 0A 34 12,-2.1 12,-1.9 -2,-0.3 2,-0.4 -0.922 6.5-161.8-122.8 153.0 11.9 33.4 56.9 5 45 A L E +A 15 0A 29 -2,-0.3 2,-0.4 10,-0.2 10,-0.2 -0.974 24.5 170.8-134.2 113.1 11.4 30.3 59.1 6 46 A T E -A 14 0A 81 8,-2.3 8,-3.1 -2,-0.4 2,-0.2 -0.990 34.7-112.1-137.6 134.6 14.2 27.7 58.6 7 47 A Q E +A 13 0A 112 -2,-0.4 6,-0.3 6,-0.3 3,-0.1 -0.421 29.8 171.7 -62.6 130.4 15.2 24.5 60.4 8 48 A V E S- 0 0 42 4,-2.6 2,-0.3 1,-0.2 5,-0.2 0.748 74.8 -10.7-102.3 -41.9 18.4 24.6 62.3 9 49 A S E > S-A 12 0A 48 3,-2.0 3,-2.6 1,-0.2 -1,-0.2 -0.823 105.4 -54.3-160.5 120.1 18.2 21.2 64.0 10 50 A G T 3 S- 0 0 37 1,-0.3 -1,-0.2 -2,-0.3 -2,-0.1 -0.238 124.8 -4.6 54.7-125.2 15.2 18.8 64.3 11 51 A P T 3 S+ 0 0 34 0, 0.0 18,-2.4 0, 0.0 2,-0.6 0.470 114.0 99.9 -79.9 1.7 12.2 20.5 65.7 12 52 A V E < +AB 9 28A 0 -3,-2.6 -4,-2.6 16,-0.2 -3,-2.0 -0.808 49.9 176.5 -98.8 121.1 14.2 23.8 66.3 13 53 A Y E -AB 7 27A 45 14,-2.9 14,-2.3 -2,-0.6 2,-0.4 -0.860 22.1-133.4-123.0 152.0 13.7 26.5 63.7 14 54 A V E -AB 6 26A 7 -8,-3.1 -8,-2.3 -2,-0.3 2,-0.6 -0.906 10.3-148.4-109.0 135.8 15.0 30.0 63.4 15 55 A V E -AB 5 25A 0 10,-3.0 10,-1.7 -2,-0.4 2,-0.7 -0.920 4.9-164.0 -99.4 120.3 12.9 33.1 62.5 16 56 A E E -AB 4 24A 54 -12,-1.9 -12,-2.1 -2,-0.6 2,-0.8 -0.945 9.6-168.9-102.0 107.5 14.7 35.9 60.6 17 57 A D E -AB 3 23A 0 6,-2.7 6,-2.3 -2,-0.7 -14,-0.2 -0.888 7.9-177.5-100.5 100.9 12.3 38.8 60.9 18 58 A N + 0 0 64 -16,-2.2 4,-0.2 -2,-0.8 -15,-0.1 0.358 42.4 117.3 -89.0 6.1 13.6 41.4 58.5 19 59 A Y S S- 0 0 68 -17,-0.3 4,-0.2 2,-0.1 -2,-0.1 -0.442 88.2 -21.6 -68.2 144.4 11.0 44.0 59.5 20 60 A Y S S- 0 0 75 -2,-0.1 2,-0.5 2,-0.1 3,-0.0 -0.263 139.6 -2.0 57.1-127.9 12.4 47.2 61.0 21 67 A V S S- 0 0 84 1,-0.1 -2,-0.1 91,-0.0 -4,-0.1 -0.833 101.7 -98.4 -85.4 128.5 15.9 46.3 62.4 22 68 A Q - 0 0 56 -2,-0.5 183,-0.5 -4,-0.2 2,-0.4 -0.155 48.2-176.9 -49.6 128.7 16.4 42.6 61.7 23 69 A E E -B 17 0A 0 -6,-2.3 -6,-2.7 -4,-0.2 2,-0.4 -0.979 14.2-145.9-125.2 143.9 15.6 40.5 64.8 24 70 A N E +B 16 0A 0 179,-2.2 2,-0.2 -2,-0.4 -8,-0.2 -0.926 21.6 170.7-112.3 137.6 15.9 36.7 65.0 25 71 A S E -B 15 0A 0 -10,-1.7 -10,-3.0 -2,-0.4 2,-0.3 -0.682 24.1-115.9-131.3 178.7 13.6 34.5 67.1 26 72 A M E -BC 14 37A 0 11,-2.5 11,-3.0 -12,-0.2 2,-0.4 -0.903 12.7-161.9-126.1 153.3 13.0 30.7 67.5 27 73 A V E -BC 13 36A 0 -14,-2.3 -14,-2.9 -2,-0.3 2,-0.5 -0.999 5.2-162.9-130.9 136.0 10.2 28.2 66.9 28 74 A Y E -BC 12 35A 19 7,-2.7 7,-2.2 -2,-0.4 2,-1.0 -0.976 9.9-150.8-118.7 118.7 10.0 24.7 68.5 29 75 A F E - C 0 34A 30 -18,-2.4 5,-0.2 -2,-0.5 2,-0.1 -0.767 27.4-177.7 -92.4 100.9 7.7 22.2 66.8 30 76 A G - 0 0 12 3,-1.8 29,-0.1 -2,-1.0 104,-0.0 -0.285 40.3-102.6 -94.9 179.4 6.6 19.9 69.7 31 77 A A S S+ 0 0 82 1,-0.2 3,-0.1 -2,-0.1 -1,-0.1 0.844 121.3 29.8 -72.8 -34.2 4.3 16.8 69.9 32 78 A K S S- 0 0 142 1,-0.3 2,-0.3 27,-0.1 -1,-0.2 0.588 131.6 -50.0 -98.2 -16.9 1.3 18.7 71.3 33 79 A G - 0 0 0 26,-0.2 -3,-1.8 28,-0.0 2,-0.3 -0.982 66.2 -56.3 165.2-170.3 2.0 22.1 69.7 34 80 A V E -Cd 29 61A 0 26,-2.5 28,-2.4 -2,-0.3 29,-1.2 -0.766 27.8-158.7-110.9 136.7 4.4 24.9 68.9 35 81 A T E -Cd 28 63A 0 -7,-2.2 -7,-2.7 -2,-0.3 2,-0.4 -0.963 10.1-158.0-111.9 129.1 6.4 27.1 71.2 36 82 A V E -Cd 27 64A 0 27,-2.5 29,-2.6 -2,-0.5 2,-0.6 -0.908 2.5-156.3-106.3 135.3 7.6 30.5 69.9 37 83 A V E S+Cd 26 65A 0 -11,-3.0 -11,-2.5 -2,-0.4 29,-0.1 -0.933 74.8 19.1-117.0 104.1 10.6 32.2 71.6 38 84 A G S S- 0 0 0 27,-2.4 -1,-0.2 -2,-0.6 28,-0.2 0.460 73.9-132.1 99.3 118.8 10.4 35.9 70.9 39 85 A A - 0 0 0 34,-2.4 34,-0.2 1,-0.2 35,-0.1 0.586 45.0-125.0 -77.9 -8.3 7.1 37.4 70.0 40 86 A T - 0 0 0 32,-0.6 36,-1.5 1,-0.1 35,-0.3 -0.028 36.2 -63.3 73.6 172.9 8.5 39.4 67.0 41 87 A W S S- 0 0 14 34,-0.2 -1,-0.1 33,-0.1 33,-0.1 0.818 104.5 -1.9 -63.1 -41.8 8.2 43.2 66.4 42 88 A T S > S- 0 0 5 -3,-0.1 4,-2.4 30,-0.1 34,-0.2 -0.924 73.3 -97.0-144.0 168.3 4.4 43.8 66.0 43 89 A P H > S+ 0 0 38 0, 0.0 4,-2.0 0, 0.0 5,-0.1 0.868 125.3 54.0 -56.6 -33.0 1.1 42.1 65.8 44 90 A D H > S+ 0 0 85 2,-0.2 4,-2.0 1,-0.2 5,-0.1 0.902 108.4 45.9 -68.6 -44.7 1.5 42.2 62.0 45 91 A T H > S+ 0 0 0 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.883 110.8 54.6 -65.1 -34.2 4.9 40.4 62.1 46 92 A A H X S+ 0 0 0 -4,-2.4 4,-2.7 2,-0.2 -2,-0.2 0.911 107.1 50.4 -62.8 -43.4 3.5 37.9 64.5 47 93 A R H X S+ 0 0 123 -4,-2.0 4,-2.2 2,-0.2 -1,-0.2 0.910 108.5 52.5 -58.5 -43.0 0.7 37.1 62.0 48 94 A E H X S+ 0 0 46 -4,-2.0 4,-1.5 2,-0.2 -2,-0.2 0.886 110.0 48.5 -62.3 -39.7 3.4 36.7 59.3 49 95 A L H X S+ 0 0 0 -4,-2.2 4,-2.4 1,-0.2 -2,-0.2 0.936 109.1 52.4 -66.2 -41.7 5.2 34.2 61.5 50 96 A H H X S+ 0 0 24 -4,-2.7 4,-2.4 1,-0.2 -2,-0.2 0.885 104.7 56.5 -60.0 -38.3 2.0 32.3 62.2 51 97 A K H X S+ 0 0 84 -4,-2.2 4,-0.7 1,-0.2 -1,-0.2 0.908 110.0 45.3 -59.9 -42.1 1.4 32.1 58.4 52 98 A L H >< S+ 0 0 49 -4,-1.5 3,-0.7 1,-0.2 4,-0.4 0.889 110.5 53.8 -69.2 -38.4 4.8 30.4 58.1 53 99 A I H >X S+ 0 0 1 -4,-2.4 4,-2.4 1,-0.2 3,-1.9 0.911 102.7 57.1 -61.1 -40.9 4.1 28.1 61.1 54 100 A K H 3< S+ 0 0 126 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.720 99.4 59.8 -69.5 -17.9 0.8 26.9 59.6 55 102 A R T << S+ 0 0 223 -4,-0.7 -1,-0.3 -3,-0.7 -2,-0.2 0.618 115.1 36.3 -81.1 -10.3 2.8 25.7 56.4 56 103 A V T <4 S+ 0 0 71 -3,-1.9 2,-0.3 -4,-0.4 -2,-0.2 0.756 126.6 13.4-106.1 -40.3 4.8 23.4 58.7 57 104 A S < - 0 0 24 -4,-2.4 -1,-0.3 2,-0.1 -23,-0.0 -0.995 43.7-153.7-145.2 146.5 2.4 22.1 61.3 58 105 A R + 0 0 236 -2,-0.3 -4,-0.1 -3,-0.1 -1,-0.1 0.459 67.4 112.7 -91.1 -8.0 -1.4 22.0 62.0 59 106 A K S S- 0 0 81 1,-0.1 -26,-0.2 -29,-0.1 -2,-0.1 -0.308 75.9 -97.2 -77.0 145.8 -0.7 21.9 65.8 60 108 A P - 0 0 78 0, 0.0 -26,-2.5 0, 0.0 2,-0.8 -0.351 28.5-113.6 -63.4 152.0 -1.7 24.9 67.9 61 109 A V E -d 34 0A 10 -28,-0.2 -26,-0.2 1,-0.2 3,-0.1 -0.759 37.5-175.7 -75.1 113.1 0.7 27.6 69.0 62 110 A L E - 0 0 57 -28,-2.4 24,-2.4 -2,-0.8 2,-0.3 0.882 54.0 -10.0 -84.3 -44.5 0.7 26.8 72.7 63 111 A E E -de 35 86A 14 -29,-1.2 -27,-2.5 22,-0.3 2,-0.4 -0.994 47.5-147.8-157.6 158.0 2.9 29.6 74.0 64 112 A V E -de 36 87A 0 22,-2.4 24,-3.2 -2,-0.3 2,-0.5 -0.999 20.7-141.3-131.4 130.7 5.2 32.5 73.2 65 113 A I E -de 37 88A 0 -29,-2.6 -27,-2.4 -2,-0.4 2,-0.9 -0.822 1.2-150.9 -97.7 126.8 8.1 33.6 75.4 66 114 A N - 0 0 0 22,-2.7 24,-0.4 -2,-0.5 8,-0.1 -0.855 9.8-168.5 -88.2 104.3 9.0 37.2 75.9 67 115 A T S S- 0 0 2 -2,-0.9 85,-1.9 6,-0.2 2,-0.3 0.659 74.0 -2.2 -76.0 -13.8 12.8 37.0 76.6 68 116 A N S S- 0 0 3 83,-0.2 25,-0.0 2,-0.2 -30,-0.0 -0.913 80.6-100.9-153.2-177.4 12.7 40.6 77.7 69 117 A Y S S+ 0 0 8 -2,-0.3 35,-0.1 -3,-0.1 5,-0.1 0.388 80.3 114.5 -87.6 3.0 10.2 43.4 78.0 70 118 A H S >> S- 0 0 7 1,-0.1 4,-1.5 34,-0.0 3,-1.2 -0.223 78.4-108.2 -79.7 165.5 11.3 45.2 74.8 71 119 A T H 3> S+ 0 0 2 1,-0.3 4,-1.8 2,-0.2 5,-0.2 0.810 114.8 56.1 -59.8 -38.9 9.4 45.8 71.5 72 120 A D H 34 S+ 0 0 11 1,-0.2 -32,-0.6 2,-0.2 -1,-0.3 0.669 118.2 33.9 -72.8 -12.6 11.4 43.3 69.5 73 121 A R H <4 S+ 0 0 0 -3,-1.2 -34,-2.4 -34,-0.2 -6,-0.2 0.511 133.5 25.0-111.2 -17.2 10.6 40.5 71.9 74 122 A A H >< S+ 0 0 3 -4,-1.5 3,-2.0 -36,-0.2 4,-0.2 0.431 88.1 99.5-129.5 -4.2 7.0 41.4 73.0 75 123 A G T >< S+ 0 0 4 -4,-1.8 3,-0.5 -5,-0.3 -34,-0.2 0.788 81.7 55.8 -60.6 -31.4 5.6 43.5 70.2 76 124 A G T >> S+ 0 0 0 -36,-1.5 4,-1.6 -34,-0.2 3,-1.3 0.535 75.4 106.3 -75.3 -6.5 3.7 40.6 68.7 77 125 A N H <> S+ 0 0 2 -3,-2.0 4,-2.7 1,-0.3 5,-0.3 0.783 70.6 59.3 -48.8 -40.8 1.8 39.8 72.0 78 126 A A H <> S+ 0 0 43 -3,-0.5 4,-1.7 1,-0.2 -1,-0.3 0.902 109.5 44.7 -57.4 -41.7 -1.6 41.2 70.9 79 127 A Y H <> S+ 0 0 34 -3,-1.3 4,-1.2 2,-0.2 -1,-0.2 0.941 112.0 50.1 -68.6 -48.2 -1.7 38.7 68.1 80 128 A W H ><>S+ 0 0 0 -4,-1.6 5,-2.0 1,-0.2 3,-0.5 0.914 112.0 48.2 -60.1 -42.1 -0.5 35.7 70.1 81 129 A K H ><5S+ 0 0 71 -4,-2.7 3,-2.2 1,-0.2 -1,-0.2 0.907 105.9 59.4 -60.6 -41.0 -3.1 36.4 72.8 82 130 A S H 3<5S+ 0 0 87 -4,-1.7 -1,-0.2 -5,-0.3 -2,-0.2 0.758 106.1 46.4 -61.9 -29.2 -5.8 36.8 70.1 83 131 A I T <<5S- 0 0 61 -4,-1.2 -1,-0.3 -3,-0.5 -2,-0.2 0.320 122.9-104.5 -94.1 4.4 -5.2 33.2 68.8 84 133 A G T < 5S+ 0 0 67 -3,-2.2 2,-0.2 1,-0.3 -3,-0.2 0.590 70.4 145.6 84.6 7.6 -5.3 31.8 72.5 85 134 A A < - 0 0 2 -5,-2.0 -1,-0.3 -6,-0.2 -22,-0.3 -0.600 52.5-115.7 -73.4 141.9 -1.5 31.3 72.9 86 135 A K E -e 63 0A 113 -24,-2.4 -22,-2.4 -2,-0.2 2,-0.6 -0.517 19.5-141.1 -70.4 144.6 -0.1 31.8 76.4 87 136 A V E -e 64 0A 0 -24,-0.2 38,-2.1 -2,-0.2 37,-1.5 -0.978 26.3-164.9-111.5 117.3 2.4 34.7 76.6 88 137 A V E +ef 65 125A 2 -24,-3.2 -22,-2.7 -2,-0.6 2,-0.3 -0.865 20.7 137.8-114.6 136.7 5.1 33.6 79.0 89 138 A S E - f 0 126A 0 36,-1.9 38,-2.1 -2,-0.4 2,-0.1 -0.958 51.0 -83.7-155.0 175.5 7.8 35.6 80.8 90 139 A T E > - f 0 127A 15 -24,-0.4 4,-2.1 -2,-0.3 38,-0.2 -0.434 42.6-113.2 -72.9 162.7 9.6 35.9 84.1 91 140 A R H > S+ 0 0 101 36,-2.3 4,-2.8 1,-0.2 5,-0.2 0.919 118.7 56.0 -63.7 -40.8 8.0 38.1 86.8 92 141 A Q H > S+ 0 0 68 35,-0.3 4,-2.3 1,-0.2 5,-0.2 0.925 108.6 46.7 -56.6 -48.2 10.9 40.6 86.5 93 142 A T H > S+ 0 0 0 1,-0.2 4,-2.4 57,-0.2 -1,-0.2 0.918 112.8 49.2 -60.8 -42.1 10.1 40.9 82.8 94 143 A R H X S+ 0 0 62 -4,-2.1 4,-2.3 2,-0.2 -2,-0.2 0.911 111.5 48.9 -65.5 -42.6 6.4 41.3 83.3 95 144 A D H X S+ 0 0 79 -4,-2.8 4,-1.8 1,-0.2 -1,-0.2 0.900 112.9 47.1 -65.0 -42.0 6.9 44.0 86.0 96 145 A L H X S+ 0 0 40 -4,-2.3 4,-2.7 -5,-0.2 -1,-0.2 0.866 109.7 54.7 -67.6 -36.4 9.3 46.0 83.9 97 146 A M H X S+ 0 0 1 -4,-2.4 4,-1.9 -5,-0.2 5,-0.2 0.940 107.5 50.1 -61.1 -44.6 6.9 45.7 80.9 98 147 A K H < S+ 0 0 124 -4,-2.3 4,-0.2 1,-0.2 -2,-0.2 0.912 120.4 34.1 -60.1 -43.9 4.1 47.2 83.0 99 148 A S H < S+ 0 0 80 -4,-1.8 -1,-0.2 1,-0.1 -2,-0.2 0.829 130.5 28.7 -80.8 -30.3 6.2 50.1 84.2 100 149 A D H X S+ 0 0 40 -4,-2.7 4,-2.4 -5,-0.2 5,-0.2 0.356 83.1 101.2-121.0 1.3 8.4 50.8 81.1 101 150 A W H X S+ 0 0 15 -4,-1.9 4,-2.7 1,-0.2 5,-0.3 0.931 86.7 50.5 -57.8 -47.6 6.4 49.7 78.0 102 151 A A H > S+ 0 0 80 -4,-0.2 4,-2.3 -5,-0.2 -1,-0.2 0.911 111.3 50.6 -56.5 -39.8 5.4 53.2 77.1 103 152 A E H > S+ 0 0 111 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.902 111.5 45.6 -64.3 -46.5 9.1 54.2 77.4 104 153 A I H X S+ 0 0 5 -4,-2.4 4,-2.4 2,-0.2 -1,-0.2 0.856 111.7 52.5 -69.9 -33.5 10.4 51.4 75.2 105 154 A V H X S+ 0 0 3 -4,-2.7 4,-2.3 -5,-0.2 -2,-0.2 0.943 111.4 46.9 -65.4 -45.8 7.7 52.1 72.6 106 155 A A H X S+ 0 0 47 -4,-2.3 4,-1.1 -5,-0.3 -2,-0.2 0.918 113.0 48.9 -61.1 -41.8 8.7 55.8 72.5 107 156 A F H X S+ 0 0 83 -4,-2.3 4,-1.1 1,-0.2 3,-0.5 0.906 110.3 51.6 -64.0 -41.0 12.4 54.9 72.3 108 157 A T H X S+ 0 0 11 -4,-2.4 4,-1.8 1,-0.2 3,-0.3 0.913 108.5 50.8 -61.1 -43.2 11.7 52.5 69.5 109 158 A R H < S+ 0 0 93 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.661 97.2 68.9 -74.5 -16.4 9.7 55.1 67.5 110 159 A K H < S+ 0 0 153 -4,-1.1 -1,-0.2 -3,-0.5 -2,-0.2 0.962 115.8 25.7 -61.3 -48.3 12.6 57.6 67.9 111 160 A G H < S+ 0 0 63 -4,-1.1 -2,-0.2 -3,-0.3 -1,-0.2 0.723 135.2 37.3 -86.2 -22.9 14.8 55.4 65.6 112 161 A L >< + 0 0 23 -4,-1.8 3,-2.2 -5,-0.2 -1,-0.2 -0.712 62.1 172.7-131.8 75.6 11.8 53.9 63.7 113 162 A P T 3 S+ 0 0 88 0, 0.0 -1,-0.1 0, 0.0 -4,-0.1 0.797 79.7 62.1 -59.6 -27.6 9.0 56.5 63.3 114 163 A E T 3 S+ 0 0 127 -3,-0.1 -5,-0.1 2,-0.1 -2,-0.0 0.594 80.0 106.1 -68.7 -18.1 7.1 54.1 61.1 115 164 A Y S < S- 0 0 0 -3,-2.2 -3,-0.0 -7,-0.1 -73,-0.0 -0.459 79.1-107.9 -67.4 136.7 6.8 51.6 64.1 116 165 A P - 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0 0 2 37,-0.9 3,-2.3 -2,-0.4 38,-0.1 0.190 29.3-148.0-119.7 15.4 20.0 34.7 74.1 165 220 A G G > S- 0 0 0 1,-0.3 38,-1.1 36,-0.3 3,-0.8 -0.273 79.2 -4.2 49.4-125.5 17.6 37.1 72.3 166 221 A C G 3 S+ 0 0 2 1,-0.2 -1,-0.3 37,-0.1 36,-0.0 0.604 123.3 78.1 -71.2 -10.1 19.1 40.6 72.3 167 222 A I G < S+ 0 0 5 -3,-2.3 2,-0.4 -15,-0.2 -1,-0.2 0.851 92.6 46.6 -70.9 -37.0 22.1 39.5 74.5 168 223 A L S < S+ 0 0 0 -3,-0.8 35,-2.5 33,-0.2 36,-0.5 -0.926 71.0 119.7-118.7 131.8 24.1 37.8 71.8 169 224 A K - 0 0 19 -2,-0.4 36,-0.1 44,-0.3 48,-0.0 -0.936 63.1 -98.6-173.1 178.6 24.8 39.3 68.3 170 225 A E S S+ 0 0 57 -2,-0.3 2,-0.3 34,-0.2 35,-0.1 0.803 97.0 53.1 -89.0 -36.0 27.6 40.4 66.0 171 226 A K S S- 0 0 145 1,-0.1 -1,-0.0 49,-0.0 46,-0.0 -0.824 78.1-127.3-107.8 149.6 27.7 44.2 66.5 172 231 A L - 0 0 47 -2,-0.3 3,-0.2 1,-0.1 -1,-0.1 0.926 40.1-161.2 -59.3 -50.2 28.0 46.1 69.8 173 232 A G - 0 0 45 1,-0.1 -1,-0.1 2,-0.1 0, 0.0 -0.333 38.2 -67.7 83.7-178.1 25.0 48.4 69.4 174 233 A N - 0 0 156 -2,-0.1 -1,-0.1 1,-0.0 -2,-0.1 0.540 53.0-143.6 -93.7 -10.0 24.3 51.6 71.4 175 234 A L > + 0 0 36 -3,-0.2 3,-1.0 1,-0.1 5,-0.1 0.617 39.5 155.2 65.7 27.1 23.7 50.1 74.9 176 235 A S T 3 S+ 0 0 78 1,-0.3 -1,-0.1 3,-0.1 -28,-0.1 0.714 79.7 26.2 -61.6 -25.9 21.0 52.4 76.1 177 236 A F T 3 S+ 0 0 44 -30,-0.3 -1,-0.3 2,-0.0 -31,-0.1 0.358 100.5 117.7-114.4 1.6 19.4 49.9 78.6 178 237 A A < - 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