==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=13-MAY-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE/ANTIBIOTIC 28-MAY-10 3N8R . COMPND 2 MOLECULE: BETA-LACTAMASE; . SOURCE 2 ORGANISM_SCIENTIFIC: MYCOBACTERIUM TUBERCULOSIS; . AUTHOR L.W.TREMBLAY,J.S.BLANCHARD . 266 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10683.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 181 68.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 35 13.2 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 . 2 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.4 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 . 4 1.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 36 13.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 84 31.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 2.3 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 0 0 0 0 2 2 3 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 PARALLEL BRIDGES PER LADDER . 0 2 1 0 1 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 ANTIPARALLEL BRIDGES PER LADDER . 2 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 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 43 A D > 0 0 125 0, 0.0 4,-2.0 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0 129.4 -31.3 9.7 -8.2 2 44 A L H > + 0 0 41 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.918 360.0 47.9 -52.1 -56.3 -29.6 7.3 -5.8 3 45 A A H > S+ 0 0 44 1,-0.3 4,-2.3 2,-0.2 -1,-0.2 0.873 111.7 51.9 -60.3 -36.5 -30.8 4.0 -7.3 4 46 A D H > S+ 0 0 95 2,-0.2 4,-2.2 1,-0.2 -1,-0.3 0.897 110.2 49.3 -61.9 -41.2 -29.8 5.3 -10.7 5 47 A R H X S+ 0 0 134 -4,-2.0 4,-2.0 2,-0.2 -2,-0.2 0.912 111.6 48.2 -65.6 -43.1 -26.3 6.1 -9.4 6 48 A F H X S+ 0 0 2 -4,-2.8 4,-2.2 2,-0.2 -2,-0.2 0.914 111.3 50.4 -66.1 -41.4 -26.0 2.7 -7.8 7 49 A A H X S+ 0 0 21 -4,-2.3 4,-1.9 -5,-0.2 -2,-0.2 0.904 108.7 53.0 -59.9 -40.8 -27.1 1.0 -11.0 8 50 A E H X S+ 0 0 63 -4,-2.2 4,-2.3 1,-0.2 -1,-0.2 0.895 107.4 51.6 -60.7 -41.8 -24.6 3.0 -12.9 9 51 A L H X S+ 0 0 5 -4,-2.0 4,-2.2 2,-0.2 -2,-0.2 0.904 105.4 55.7 -64.1 -40.2 -21.8 1.9 -10.5 10 52 A E H X>S+ 0 0 18 -4,-2.2 5,-2.2 1,-0.2 4,-0.6 0.930 110.4 44.8 -55.6 -44.4 -22.8 -1.7 -11.1 11 53 A R H ><5S+ 0 0 175 -4,-1.9 3,-0.7 1,-0.2 -2,-0.2 0.919 111.8 53.1 -66.4 -38.1 -22.4 -1.3 -14.9 12 54 A R H 3<5S+ 0 0 150 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.872 121.2 30.1 -64.5 -37.5 -19.0 0.5 -14.4 13 55 A Y H 3<5S- 0 0 29 -4,-2.2 -1,-0.2 -5,-0.1 -2,-0.2 0.303 103.2-122.4-107.2 6.8 -17.5 -2.2 -12.2 14 56 A D T <<5S+ 0 0 96 -3,-0.7 227,-0.3 -4,-0.6 2,-0.3 0.949 72.8 130.4 47.5 55.0 -19.4 -5.2 -13.8 15 57 A A < - 0 0 17 -5,-2.2 2,-0.5 -6,-0.2 224,-0.2 -0.795 66.7-122.9-135.4 164.8 -20.6 -5.8 -10.2 16 58 A R E -A 238 0A 59 222,-2.7 222,-1.7 -2,-0.3 2,-0.4 -0.985 35.6-163.8-111.5 128.3 -23.6 -6.4 -8.0 17 59 A L E -A 237 0A 0 -2,-0.5 2,-0.4 220,-0.2 220,-0.2 -0.942 10.9-170.4-120.5 136.1 -23.8 -3.8 -5.3 18 60 A G E +A 236 0A 0 218,-3.0 218,-2.7 -2,-0.4 2,-0.4 -0.983 8.7 178.5-126.1 136.7 -25.8 -3.8 -2.1 19 61 A V E +AB 235 32A 0 13,-2.8 13,-2.3 -2,-0.4 2,-0.3 -0.999 6.0 173.9-137.4 134.8 -26.3 -0.8 0.2 20 62 A Y E +AB 234 31A 21 214,-2.2 214,-2.6 -2,-0.4 11,-0.2 -0.966 8.4 171.8-141.2 133.7 -28.2 -0.2 3.4 21 63 A V E - B 0 30A 1 9,-2.4 9,-2.2 -2,-0.3 212,-0.2 -0.975 35.8-126.3-128.4 117.6 -28.4 2.7 5.8 22 64 A P - 0 0 5 0, 0.0 210,-0.2 0, 0.0 5,-0.1 -0.235 32.6 -94.5 -60.3 152.9 -31.1 2.3 8.5 23 65 A A - 0 0 58 6,-0.1 5,-0.2 208,-0.1 2,-0.2 -0.299 45.6-172.7 -62.0 150.3 -33.7 5.1 8.9 24 66 A T - 0 0 47 3,-2.3 5,-0.1 -3,-0.1 -1,-0.1 -0.603 45.9 -64.3-125.4-170.7 -33.0 7.8 11.5 25 67 A G S S+ 0 0 82 -2,-0.2 -2,-0.1 1,-0.2 3,-0.0 0.822 131.2 6.3 -38.4 -48.0 -34.8 10.7 13.1 26 68 A T S S+ 0 0 132 2,-0.1 2,-0.4 1,-0.0 -1,-0.2 0.333 115.7 78.9-133.4 3.3 -35.1 12.6 9.8 27 69 A T - 0 0 35 -5,-0.1 -3,-2.3 3,-0.0 2,-0.1 -0.966 67.3-132.7-120.7 137.1 -33.8 10.3 7.1 28 70 A A - 0 0 82 -2,-0.4 -2,-0.1 -5,-0.2 -3,-0.0 -0.395 45.2 -84.3 -68.6 156.0 -35.5 7.4 5.4 29 71 A A - 0 0 33 -2,-0.1 2,-0.5 -6,-0.1 -1,-0.2 -0.355 37.4-136.4 -56.1 143.4 -33.6 4.2 5.0 30 72 A I E +B 21 0A 15 -9,-2.2 -9,-2.4 -3,-0.1 2,-0.4 -0.930 33.5 172.8-101.5 127.8 -31.3 4.0 2.0 31 73 A E E +B 20 0A 119 -2,-0.5 2,-0.3 -11,-0.2 -11,-0.2 -0.985 19.8 161.7-144.5 128.7 -31.7 0.6 0.4 32 74 A Y E S-B 19 0A 32 -13,-2.3 -13,-2.8 -2,-0.4 4,-0.1 -0.919 88.8 -22.2-145.1 117.8 -30.3 -0.9 -2.8 33 75 A R S > S+ 0 0 91 -2,-0.3 3,-1.4 -15,-0.2 125,-0.1 0.814 91.9 151.5 49.8 31.5 -30.4 -4.7 -3.2 34 76 A A T 3 + 0 0 5 1,-0.3 124,-2.6 -15,-0.2 125,-0.4 0.710 64.5 45.4 -71.6 -21.0 -30.5 -4.5 0.6 35 77 A D T 3 S+ 0 0 108 122,-0.2 2,-0.3 121,-0.1 -1,-0.3 0.330 89.8 104.8-103.3 5.1 -32.3 -7.8 1.1 36 78 A E S < S- 0 0 63 -3,-1.4 2,-0.2 -4,-0.1 122,-0.2 -0.642 78.0-109.2 -81.8 145.8 -30.2 -9.8 -1.3 37 79 A R + 0 0 67 -2,-0.3 2,-0.3 119,-0.2 119,-0.2 -0.530 38.6 174.3 -75.2 137.5 -27.6 -12.2 0.1 38 80 A F E -E 155 0B 3 117,-2.4 117,-2.6 -2,-0.2 200,-0.0 -0.972 41.5 -93.1-134.3 146.5 -23.9 -11.3 -0.1 39 81 A A E -E 154 0B 5 -2,-0.3 115,-0.3 115,-0.2 198,-0.2 -0.375 25.9-139.7 -55.2 136.6 -21.0 -13.3 1.4 40 82 A F > + 0 0 0 113,-2.4 3,-1.7 95,-0.2 -1,-0.2 0.896 35.0 172.5 -52.2 -47.0 -20.0 -11.9 4.9 41 83 A C G > S- 0 0 0 112,-0.5 3,-1.5 102,-0.4 4,-0.1 -0.296 71.3 -22.7 44.6-141.7 -16.3 -12.4 4.1 42 84 A S G > S+ 0 0 1 225,-2.5 3,-1.8 1,-0.3 4,-0.3 0.513 119.0 90.2 -77.4 -2.0 -14.4 -10.9 7.0 43 85 A T G X S+ 0 0 0 -3,-1.7 3,-1.4 1,-0.3 -1,-0.3 0.769 73.4 73.8 -62.3 -20.0 -17.2 -8.5 8.1 44 86 A F G <> S+ 0 0 2 -3,-1.5 4,-2.2 1,-0.3 -1,-0.3 0.727 78.1 77.0 -63.6 -20.0 -18.4 -11.3 10.4 45 87 A K H <> S+ 0 0 5 -3,-1.8 4,-2.2 2,-0.2 -1,-0.3 0.776 85.7 60.3 -67.1 -25.0 -15.4 -10.6 12.7 46 88 A A H <> S+ 0 0 0 -3,-1.4 4,-2.0 -4,-0.3 -1,-0.2 0.990 111.6 36.4 -67.1 -54.5 -17.1 -7.5 14.1 47 89 A P H > S+ 0 0 1 0, 0.0 4,-2.6 0, 0.0 -2,-0.2 0.830 113.8 61.3 -66.2 -24.4 -20.1 -9.4 15.5 48 90 A L H X S+ 0 0 0 -4,-2.2 4,-2.3 2,-0.2 -2,-0.2 0.939 105.1 45.6 -61.8 -47.8 -17.7 -12.3 16.3 49 91 A V H X S+ 0 0 0 -4,-2.2 4,-3.0 1,-0.2 5,-0.2 0.922 112.2 52.8 -63.2 -40.5 -15.7 -10.0 18.7 50 92 A A H X S+ 0 0 0 -4,-2.0 4,-3.0 1,-0.2 -2,-0.2 0.923 108.3 50.4 -58.7 -44.8 -19.1 -8.8 20.1 51 93 A A H X S+ 0 0 3 -4,-2.6 4,-2.3 2,-0.2 -2,-0.2 0.928 112.4 46.1 -59.4 -46.4 -20.1 -12.4 20.8 52 94 A V H X S+ 0 0 1 -4,-2.3 4,-0.9 2,-0.2 -2,-0.2 0.919 114.5 47.5 -66.0 -41.6 -16.9 -13.2 22.6 53 95 A L H >< S+ 0 0 6 -4,-3.0 3,-0.8 1,-0.2 -2,-0.2 0.942 114.2 47.6 -61.5 -45.8 -17.0 -10.1 24.6 54 96 A H H 3< S+ 0 0 94 -4,-3.0 -2,-0.2 -5,-0.2 -1,-0.2 0.874 109.1 53.9 -62.2 -38.7 -20.6 -10.7 25.5 55 97 A Q H 3< S+ 0 0 122 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.675 110.7 42.2 -70.8 -19.8 -20.0 -14.3 26.5 56 98 A N S << S- 0 0 34 -4,-0.9 5,-0.0 -3,-0.8 2,-0.0 -0.853 87.8 -92.5-132.6 156.4 -17.2 -13.7 29.0 57 99 A P > - 0 0 91 0, 0.0 3,-1.9 0, 0.0 4,-0.2 -0.333 48.6-108.4 -59.5 156.6 -16.1 -11.5 31.8 58 100 A L G > S+ 0 0 58 1,-0.3 3,-2.0 2,-0.2 4,-0.1 0.826 116.9 65.0 -60.9 -31.6 -13.9 -8.6 30.6 59 101 A T G > S+ 0 0 106 1,-0.3 3,-1.8 2,-0.2 -1,-0.3 0.599 77.2 83.5 -77.0 -4.0 -10.8 -10.2 32.1 60 102 A H G X S+ 0 0 32 -3,-1.9 3,-1.8 1,-0.3 29,-0.5 0.760 75.7 77.0 -59.4 -22.3 -11.1 -13.1 29.7 61 103 A L G < S+ 0 0 21 -3,-2.0 29,-2.6 1,-0.3 30,-0.4 0.740 89.4 55.5 -57.0 -21.8 -9.3 -10.6 27.4 62 104 A D G < S+ 0 0 115 -3,-1.8 2,-0.3 27,-0.2 -1,-0.3 0.430 79.1 115.5 -97.3 1.1 -6.2 -11.5 29.3 63 105 A K < - 0 0 113 -3,-1.8 26,-2.0 -4,-0.1 2,-0.4 -0.563 65.2-129.5 -73.9 130.5 -6.4 -15.3 28.7 64 106 A L E -F 88 0C 97 -2,-0.3 2,-0.5 24,-0.2 24,-0.3 -0.672 19.2-159.9 -85.5 125.9 -3.5 -16.6 26.6 65 107 A I E -F 87 0C 26 22,-3.0 22,-2.3 -2,-0.4 2,-0.3 -0.916 5.2-153.7-105.8 129.1 -4.4 -18.7 23.6 66 108 A T + 0 0 109 -2,-0.5 2,-0.3 20,-0.2 17,-0.1 -0.742 19.2 166.8-101.4 150.1 -1.8 -21.1 22.1 67 109 A Y - 0 0 9 16,-0.5 2,-0.2 -2,-0.3 19,-0.1 -0.929 17.9-136.3-151.6 174.8 -1.8 -22.2 18.5 68 110 A T > - 0 0 74 -2,-0.3 3,-1.7 1,-0.0 4,-0.4 -0.677 36.7 -81.9-132.8-177.3 0.5 -23.9 16.0 69 111 A S G > S+ 0 0 104 1,-0.3 3,-1.3 -2,-0.2 14,-0.0 0.857 121.6 57.2 -56.2 -40.5 1.8 -24.0 12.4 70 112 A D G 3 S+ 0 0 122 1,-0.3 -1,-0.3 3,-0.0 -3,-0.0 0.526 94.3 68.8 -75.9 -1.4 -1.2 -25.8 11.0 71 113 A D G < S+ 0 0 51 -3,-1.7 2,-1.1 1,-0.1 -1,-0.3 0.617 77.4 87.5 -85.3 -16.3 -3.5 -23.0 12.3 72 114 A I < + 0 0 55 -3,-1.3 -1,-0.1 -4,-0.4 3,-0.1 -0.734 44.7 134.2 -91.4 98.5 -2.1 -20.5 9.8 73 115 A R + 0 0 102 -2,-1.1 2,-0.3 2,-0.1 -1,-0.2 0.157 62.5 31.0-130.9 9.5 -4.4 -21.1 6.8 74 116 A S S S- 0 0 25 66,-0.1 29,-0.3 -3,-0.1 2,-0.1 -0.954 107.0 -51.1-162.5 167.7 -5.4 -17.6 5.7 75 117 A I + 0 0 70 -2,-0.3 27,-2.9 27,-0.1 28,-0.2 -0.348 61.5 163.1 -55.3 122.0 -4.1 -14.0 5.6 76 118 A S > + 0 0 7 25,-0.3 4,-2.1 26,-0.2 5,-0.3 -0.577 12.3 173.8-147.7 69.6 -3.0 -13.5 9.3 77 119 A P T 4 S+ 0 0 48 0, 0.0 4,-0.2 0, 0.0 -1,-0.1 0.797 83.8 28.1 -60.2 -32.8 -0.6 -10.4 9.5 78 120 A V T >4 S+ 0 0 28 2,-0.1 3,-1.4 17,-0.1 4,-0.3 0.882 118.9 51.0 -91.3 -51.4 -0.5 -10.5 13.3 79 121 A A G >4 S+ 0 0 0 1,-0.3 3,-2.0 2,-0.2 4,-0.2 0.846 98.3 66.0 -64.1 -31.7 -1.0 -14.2 14.3 80 122 A Q G 3< S+ 0 0 109 -4,-2.1 3,-0.5 1,-0.3 -1,-0.3 0.835 102.5 51.6 -59.2 -27.7 1.6 -15.5 11.9 81 123 A Q G < S+ 0 0 131 -3,-1.4 -1,-0.3 -5,-0.3 -2,-0.2 0.506 108.5 49.9 -81.8 -6.4 4.2 -13.7 14.1 82 124 A H <> + 0 0 52 -3,-2.0 4,-2.7 -4,-0.3 -1,-0.2 0.092 63.1 117.6-126.4 22.6 3.0 -15.1 17.5 83 125 A V T 4 S+ 0 0 32 -3,-0.5 -16,-0.5 -4,-0.2 -1,-0.1 0.883 84.9 43.6 -58.6 -39.2 2.8 -18.9 17.1 84 126 A Q T 4 S+ 0 0 184 1,-0.2 -1,-0.2 -3,-0.1 -2,-0.1 0.942 123.2 34.6 -71.7 -42.2 5.5 -19.5 19.8 85 127 A T T 4 S- 0 0 91 1,-0.2 -2,-0.2 -4,-0.2 -1,-0.2 0.733 99.8-141.4 -83.1 -24.5 4.2 -17.0 22.3 86 128 A G < - 0 0 2 -4,-2.7 2,-0.3 -7,-0.1 -20,-0.2 -0.229 15.9-101.8 77.8 177.8 0.5 -17.3 21.7 87 129 A M E -F 65 0C 1 -22,-2.3 -22,-3.0 -4,-0.1 2,-0.1 -0.995 24.0-120.5-137.6 142.7 -1.9 -14.4 21.7 88 130 A T E > -F 64 0C 34 -2,-0.3 4,-2.6 -24,-0.3 -24,-0.2 -0.428 33.5-107.5 -74.5 161.7 -4.3 -13.2 24.4 89 131 A I H > S+ 0 0 0 -26,-2.0 4,-2.6 -29,-0.5 -28,-0.2 0.902 122.8 52.6 -55.5 -40.0 -8.0 -13.1 23.6 90 132 A G H > S+ 0 0 13 -29,-2.6 4,-2.4 1,-0.2 -1,-0.2 0.905 108.6 48.6 -64.9 -41.5 -7.7 -9.3 23.6 91 133 A Q H > S+ 0 0 81 -30,-0.4 4,-2.7 2,-0.2 -1,-0.2 0.879 110.9 52.1 -63.6 -37.3 -4.9 -9.4 21.1 92 134 A L H X S+ 0 0 0 -4,-2.6 4,-2.7 2,-0.2 -2,-0.2 0.923 110.1 47.5 -64.5 -43.0 -6.9 -11.8 19.0 93 135 A C H X S+ 0 0 0 -4,-2.6 4,-2.2 2,-0.2 5,-0.3 0.934 112.8 49.4 -61.2 -45.4 -9.9 -9.4 19.0 94 136 A D H X S+ 0 0 35 -4,-2.4 4,-3.1 1,-0.2 5,-0.4 0.949 114.8 43.6 -59.5 -52.2 -7.6 -6.5 18.1 95 137 A A H X S+ 0 0 1 -4,-2.7 6,-2.0 1,-0.2 4,-1.7 0.884 111.3 54.4 -62.2 -40.4 -6.0 -8.4 15.2 96 138 A A H < S+ 0 0 0 -4,-2.7 4,-0.3 4,-0.3 -1,-0.2 0.908 120.1 31.8 -62.6 -41.4 -9.3 -9.8 13.9 97 139 A I H < S+ 0 0 0 -4,-2.2 112,-0.3 -5,-0.2 -2,-0.2 0.944 126.4 36.5 -80.1 -51.9 -10.8 -6.3 13.7 98 140 A R H < S+ 0 0 33 -4,-3.1 91,-1.9 -5,-0.3 92,-0.2 0.739 134.5 20.3 -81.3 -27.1 -7.9 -4.0 12.8 99 141 A Y S < S- 0 0 84 -4,-1.7 -1,-0.2 -5,-0.4 3,-0.2 0.282 97.8-123.5-119.9 6.1 -5.8 -6.3 10.5 100 142 A S - 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0 0 0 22,-0.1 2,-0.3 -11,-0.1 21,-0.2 -0.188 51.9-177.3 -69.6 155.6 -27.5 -14.3 8.3 135 177 A R - 0 0 81 19,-2.6 2,-0.5 16,-0.1 19,-0.3 -0.977 17.4-158.2-152.2 139.6 -25.6 -17.6 8.6 136 178 A L + 0 0 4 -17,-0.3 -13,-0.2 -2,-0.3 -14,-0.1 -0.987 21.1 160.6-117.5 128.3 -22.0 -18.6 9.1 137 179 A D + 0 0 64 -2,-0.5 2,-0.3 1,-0.2 -1,-0.1 0.506 60.0 27.2-120.3 -18.5 -21.2 -22.1 8.0 138 180 A A - 0 0 23 -19,-0.1 -1,-0.2 5,-0.0 2,-0.1 -0.931 63.9-134.0-144.3 162.3 -17.4 -22.3 7.6 139 181 A E > - 0 0 49 -2,-0.3 4,-2.1 1,-0.1 3,-0.2 -0.386 57.8 -19.1-105.4-169.4 -14.3 -20.6 9.0 140 182 A A T 4 S+ 0 0 6 -38,-0.3 -1,-0.1 1,-0.3 -66,-0.1 -0.587 122.7 12.7 -76.3 144.8 -11.3 -19.2 7.1 141 183 A P T >4 S+ 0 0 21 0, 0.0 3,-1.3 0, 0.0 -1,-0.3 -1.000 125.7 53.5 -88.2 -5.9 -10.4 -19.8 4.3 142 184 A E G >4 S+ 0 0 83 1,-0.2 3,-2.0 -3,-0.2 4,-0.2 0.807 93.4 70.4 -61.3 -32.3 -13.5 -21.6 3.2 143 185 A L G 3< S+ 0 0 3 -4,-2.1 -102,-0.4 1,-0.3 3,-0.3 0.672 96.5 52.0 -65.6 -19.0 -16.0 -18.9 4.1 144 186 A N G < S+ 0 0 4 -3,-1.3 69,-1.5 -5,-0.2 -1,-0.3 0.461 101.0 65.4 -91.0 -0.5 -14.9 -16.6 1.3 145 187 A R < + 0 0 111 -3,-2.0 -1,-0.2 -4,-0.2 -2,-0.2 0.326 59.8 127.3-109.1 0.4 -15.2 -19.2 -1.4 146 188 A D - 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0 0 3 -119,-0.2 4,-2.6 -2,-0.2 5,-0.4 -0.953 24.8-113.5-132.5 158.8 -27.5 -9.0 3.6 157 199 A P H > S+ 0 0 0 0, 0.0 4,-2.1 0, 0.0 -137,-0.2 0.933 119.6 49.5 -56.8 -41.2 -26.8 -5.3 3.8 158 200 A H H > S+ 0 0 49 -124,-2.6 4,-1.9 2,-0.2 5,-0.2 0.944 112.8 45.2 -60.2 -50.0 -30.0 -4.8 5.7 159 201 A A H > S+ 0 0 10 -125,-0.4 4,-1.9 1,-0.2 -1,-0.2 0.932 115.1 45.0 -64.0 -48.5 -29.3 -7.6 8.2 160 202 A I H X S+ 0 0 0 -4,-2.6 4,-2.8 1,-0.2 5,-0.2 0.866 110.7 55.2 -68.9 -32.5 -25.7 -6.7 9.0 161 203 A A H X S+ 0 0 1 -4,-2.1 4,-2.5 -5,-0.4 -1,-0.2 0.919 108.9 47.2 -62.9 -41.9 -26.5 -3.0 9.3 162 204 A L H X S+ 0 0 61 -4,-1.9 4,-1.8 2,-0.2 -2,-0.2 0.863 112.7 50.0 -69.8 -34.7 -29.2 -3.7 11.9 163 205 A V H X S+ 0 0 1 -4,-1.9 4,-2.1 2,-0.2 -2,-0.2 0.956 112.4 46.2 -63.5 -50.9 -26.8 -6.0 13.8 164 206 A L H X>S+ 0 0 2 -4,-2.8 4,-2.6 1,-0.2 5,-0.5 0.886 108.7 56.8 -62.3 -38.0 -24.0 -3.4 13.7 165 207 A Q H X>S+ 0 0 59 -4,-2.5 5,-2.0 1,-0.2 4,-2.0 0.932 109.1 45.4 -57.5 -47.3 -26.5 -0.7 14.8 166 208 A Q H <5S+ 0 0 68 -4,-1.8 6,-1.6 3,-0.2 7,-0.4 0.887 114.7 48.8 -63.1 -38.8 -27.4 -2.7 17.9 167 209 A L H <5S+ 0 0 0 -4,-2.1 6,-0.3 5,-0.2 -2,-0.2 0.890 126.5 21.7 -68.3 -44.0 -23.7 -3.5 18.7 168 210 A V H <5S+ 0 0 9 -4,-2.6 -3,-0.2 -5,-0.2 -2,-0.2 0.839 138.5 22.7 -96.9 -41.7 -22.3 0.1 18.4 169 211 A L T < - 0 0 53 0, 0.0 4,-2.7 0, 0.0 3,-0.4 -0.341 47.0-100.4 -62.1 155.2 -22.7 -3.3 28.2 175 217 A P H > S+ 0 0 91 0, 0.0 4,-2.4 0, 0.0 5,-0.2 0.838 120.1 52.1 -53.7 -38.8 -21.0 0.1 27.8 176 218 A D H > S+ 0 0 90 2,-0.2 4,-1.6 1,-0.2 -3,-0.0 0.926 114.9 40.8 -66.7 -41.0 -17.5 -1.2 28.6 177 219 A K H > S+ 0 0 26 -3,-0.4 4,-2.2 2,-0.2 -1,-0.2 0.873 112.6 56.0 -71.8 -36.3 -17.6 -4.0 26.0 178 220 A R H X S+ 0 0 54 -4,-2.7 4,-2.7 1,-0.2 -2,-0.2 0.912 106.6 51.3 -59.8 -42.0 -19.3 -1.7 23.5 179 221 A A H X S+ 0 0 47 -4,-2.4 4,-2.7 -5,-0.2 -1,-0.2 0.888 107.0 52.9 -65.2 -39.9 -16.4 0.8 23.9 180 222 A L H X S+ 0 0 49 -4,-1.6 4,-2.1 2,-0.2 -1,-0.2 0.944 113.3 43.2 -60.0 -48.9 -13.8 -2.0 23.2 181 223 A L H X S+ 0 0 0 -4,-2.2 4,-2.3 1,-0.2 5,-0.2 0.938 114.5 50.1 -61.9 -47.4 -15.6 -3.0 20.0 182 224 A T H X S+ 0 0 18 -4,-2.7 4,-2.1 1,-0.2 -2,-0.2 0.917 111.2 48.6 -58.3 -45.1 -16.1 0.6 18.9 183 225 A D H X S+ 0 0 89 -4,-2.7 4,-1.5 2,-0.2 -1,-0.2 0.872 108.9 52.2 -67.1 -37.6 -12.5 1.5 19.5 184 226 A W H < S+ 0 0 21 -4,-2.1 3,-0.3 -5,-0.2 -1,-0.2 0.943 112.9 45.3 -63.6 -44.5 -11.1 -1.5 17.6 185 227 A M H >< S+ 0 0 1 -4,-2.3 22,-1.6 1,-0.2 3,-1.3 0.874 109.8 55.8 -65.1 -33.2 -13.3 -0.6 14.6 186 228 A A H 3< S+ 0 0 42 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.808 110.1 45.8 -66.4 -29.2 -12.2 3.1 15.0 187 229 A R T 3< S+ 0 0 127 -4,-1.5 -1,-0.3 -3,-0.3 -2,-0.2 0.121 82.2 144.4-100.5 17.0 -8.6 2.0 14.7 188 230 A N < - 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