==== 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 15-MAR-10 3M6B . COMPND 2 MOLECULE: BETA-LACTAMASE; . SOURCE 2 ORGANISM_SCIENTIFIC: MYCOBACTERIUM TUBERCULOSIS; . AUTHOR L.W.TREMBLAY,F.FAN,J.S.BLANCHARD . 267 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10827.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 178 66.7 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 13.1 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 0.7 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 31.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 2.2 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 0 131 0, 0.0 4,-2.2 0, 0.0 3,-0.2 0.000 360.0 360.0 360.0 127.8 -31.6 9.6 -8.3 2 44 A L H > + 0 0 44 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.876 360.0 50.5 -54.1 -48.8 -29.8 7.2 -5.9 3 45 A A H > S+ 0 0 46 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.904 111.7 49.6 -58.3 -41.9 -31.0 3.9 -7.4 4 46 A D H > S+ 0 0 99 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.900 111.2 49.6 -61.9 -40.7 -30.0 5.2 -10.9 5 47 A R H X S+ 0 0 129 -4,-2.2 4,-2.0 2,-0.2 -2,-0.2 0.922 111.0 48.3 -65.6 -43.2 -26.5 6.1 -9.5 6 48 A F H X S+ 0 0 2 -4,-2.8 4,-2.1 2,-0.2 -2,-0.2 0.913 110.6 51.4 -64.2 -40.6 -26.0 2.7 -7.9 7 49 A A H X S+ 0 0 23 -4,-2.4 4,-2.0 1,-0.2 -1,-0.2 0.894 107.5 53.9 -61.7 -39.3 -27.1 0.9 -11.1 8 50 A E H X S+ 0 0 58 -4,-2.2 4,-2.4 1,-0.2 -1,-0.2 0.899 106.9 51.3 -60.3 -40.2 -24.6 3.1 -13.0 9 51 A L H X S+ 0 0 6 -4,-2.0 4,-2.3 2,-0.2 -2,-0.2 0.902 105.9 55.5 -65.2 -39.1 -21.8 1.9 -10.6 10 52 A E H X>S+ 0 0 19 -4,-2.1 5,-2.1 1,-0.2 4,-0.6 0.920 110.7 44.6 -57.7 -43.7 -22.9 -1.7 -11.2 11 53 A R H ><5S+ 0 0 175 -4,-2.0 3,-0.7 3,-0.2 -2,-0.2 0.915 111.7 53.4 -67.1 -39.5 -22.4 -1.2 -14.9 12 54 A R H 3<5S+ 0 0 141 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.882 121.6 29.3 -61.2 -41.5 -19.0 0.6 -14.4 13 55 A Y H 3<5S- 0 0 16 -4,-2.3 -1,-0.2 -5,-0.1 -2,-0.2 0.297 102.3-122.4-104.2 6.9 -17.5 -2.1 -12.3 14 56 A D T <<5S+ 0 0 100 -3,-0.7 227,-0.3 -4,-0.6 2,-0.3 0.941 73.3 130.6 45.9 55.0 -19.4 -5.2 -13.8 15 57 A A < - 0 0 16 -5,-2.1 2,-0.5 -6,-0.2 224,-0.2 -0.763 66.8-123.1-134.0 164.6 -20.6 -5.7 -10.3 16 58 A R E -A 238 0A 59 222,-2.7 222,-1.8 -2,-0.3 2,-0.4 -0.989 35.0-163.7-110.6 128.2 -23.5 -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 -0.938 10.7-170.9-119.6 134.0 -23.8 -3.7 -5.3 18 60 A G E +A 236 0A 0 218,-2.9 218,-2.7 -2,-0.4 2,-0.4 -0.988 8.8 178.3-124.2 136.3 -25.9 -3.8 -2.1 19 61 A V E +AB 235 32A 0 13,-2.7 13,-2.3 -2,-0.4 2,-0.3 -0.999 5.9 174.1-137.6 133.8 -26.3 -0.8 0.2 20 62 A Y E +AB 234 31A 21 214,-2.2 214,-2.5 -2,-0.4 11,-0.2 -0.966 8.5 172.2-140.4 135.2 -28.3 -0.2 3.4 21 63 A V E - B 0 30A 0 9,-2.3 9,-2.1 -2,-0.3 212,-0.2 -0.982 35.4-126.6-129.0 117.2 -28.4 2.7 5.8 22 64 A P - 0 0 4 0, 0.0 210,-0.2 0, 0.0 5,-0.1 -0.260 30.6 -97.9 -60.9 150.8 -31.1 2.3 8.5 23 65 A A - 0 0 54 1,-0.1 5,-0.2 6,-0.1 2,-0.1 -0.317 45.6-179.7 -60.1 147.8 -33.7 5.0 9.0 24 66 A T - 0 0 52 3,-2.0 -1,-0.1 -3,-0.1 5,-0.1 -0.320 48.6 -56.9-123.1-148.2 -33.0 7.5 11.7 25 67 A G S S+ 0 0 79 1,-0.1 -2,-0.1 -2,-0.1 3,-0.0 0.939 129.5 5.4 -62.1 -54.5 -34.9 10.6 13.1 26 68 A T S S+ 0 0 135 2,-0.1 2,-0.4 1,-0.0 -1,-0.1 0.279 115.4 79.0-122.3 8.9 -35.1 12.6 9.9 27 69 A T - 0 0 30 -5,-0.1 -3,-2.0 3,-0.0 3,-0.1 -0.971 68.9-132.1-123.1 136.5 -33.8 10.3 7.1 28 70 A A - 0 0 84 -2,-0.4 -2,-0.1 -5,-0.2 -3,-0.1 -0.380 43.9 -85.1 -70.2 157.7 -35.5 7.5 5.4 29 71 A A - 0 0 30 -2,-0.1 2,-0.5 -6,-0.1 -1,-0.1 -0.347 37.7-137.2 -58.0 143.4 -33.6 4.2 5.0 30 72 A I E +B 21 0A 14 -9,-2.1 -9,-2.3 -3,-0.1 2,-0.4 -0.935 32.9 173.9-101.9 128.7 -31.3 4.0 2.0 31 73 A E E +B 20 0A 114 -2,-0.5 2,-0.4 -11,-0.2 -11,-0.2 -0.966 20.5 162.1-146.2 129.6 -31.7 0.7 0.3 32 74 A Y E S-B 19 0A 29 -13,-2.3 -13,-2.7 -2,-0.4 -2,-0.0 -0.946 88.5 -23.1-145.1 115.0 -30.3 -0.9 -2.9 33 75 A R S > S+ 0 0 95 -2,-0.4 3,-1.5 -15,-0.2 125,-0.1 0.796 91.0 153.3 51.2 32.0 -30.4 -4.7 -3.2 34 76 A A T 3 + 0 0 6 1,-0.3 124,-2.6 -15,-0.2 125,-0.4 0.696 64.4 45.7 -72.3 -20.0 -30.5 -4.5 0.6 35 77 A D T 3 S+ 0 0 107 122,-0.2 -1,-0.3 121,-0.1 2,-0.3 0.316 89.0 104.4-103.0 5.2 -32.3 -7.8 1.1 36 78 A E S < S- 0 0 63 -3,-1.5 2,-0.2 1,-0.1 122,-0.2 -0.653 77.6-110.0 -81.5 146.7 -30.2 -9.8 -1.4 37 79 A R + 0 0 67 -2,-0.3 2,-0.3 119,-0.2 119,-0.2 -0.527 38.1 174.4 -77.2 140.5 -27.6 -12.1 0.1 38 80 A F E -E 155 0B 3 117,-2.4 117,-2.6 -2,-0.2 2,-0.1 -0.973 41.3 -91.4-137.1 147.8 -23.8 -11.3 -0.2 39 81 A A E -E 154 0B 5 -2,-0.3 115,-0.3 115,-0.2 198,-0.2 -0.353 25.5-140.2 -55.1 134.7 -21.0 -13.2 1.4 40 82 A F > + 0 0 0 113,-2.4 3,-1.8 95,-0.2 -1,-0.1 0.892 34.8 172.1 -52.6 -46.9 -19.9 -11.9 4.8 41 83 A C G > S- 0 0 0 112,-0.5 3,-1.4 102,-0.4 4,-0.1 -0.292 72.6 -22.0 46.3-139.7 -16.2 -12.4 4.0 42 84 A S G > S+ 0 0 0 1,-0.3 3,-1.9 169,-0.3 4,-0.3 0.565 119.3 90.5 -78.6 -2.2 -14.3 -10.8 6.9 43 85 A T G X S+ 0 0 0 -3,-1.8 3,-1.3 1,-0.3 -1,-0.3 0.779 74.0 71.7 -61.3 -22.1 -17.1 -8.6 8.0 44 86 A F G <> S+ 0 0 0 -3,-1.4 4,-2.1 1,-0.2 -1,-0.3 0.727 79.4 77.6 -65.3 -17.2 -18.3 -11.4 10.3 45 87 A K H <> S+ 0 0 0 -3,-1.9 4,-2.1 2,-0.2 -1,-0.2 0.795 86.1 59.1 -67.1 -29.3 -15.3 -10.7 12.5 46 88 A A H <> S+ 0 0 0 -3,-1.3 4,-2.0 -4,-0.3 -1,-0.2 0.985 111.7 36.9 -63.4 -56.1 -16.9 -7.6 14.0 47 89 A P H > S+ 0 0 1 0, 0.0 4,-2.4 0, 0.0 -2,-0.2 0.807 112.9 61.8 -67.1 -24.1 -20.0 -9.4 15.5 48 90 A L H X S+ 0 0 0 -4,-2.1 4,-2.4 2,-0.2 -2,-0.2 0.939 104.6 46.3 -61.5 -45.4 -17.7 -12.4 16.3 49 91 A V H X S+ 0 0 0 -4,-2.1 4,-2.8 1,-0.2 5,-0.2 0.923 111.3 52.9 -62.0 -42.6 -15.7 -10.1 18.6 50 92 A A H X S+ 0 0 0 -4,-2.0 4,-3.1 2,-0.2 -1,-0.2 0.908 108.1 51.1 -56.8 -42.9 -19.0 -8.9 20.1 51 93 A A H X S+ 0 0 2 -4,-2.4 4,-2.2 2,-0.2 -2,-0.2 0.930 112.0 45.6 -62.1 -45.4 -20.0 -12.5 20.7 52 94 A V H X S+ 0 0 2 -4,-2.4 4,-0.9 2,-0.2 -2,-0.2 0.907 114.7 48.3 -64.9 -43.1 -16.8 -13.4 22.5 53 95 A L H >< S+ 0 0 6 -4,-2.8 3,-0.8 1,-0.2 -2,-0.2 0.950 113.5 47.3 -59.8 -47.9 -17.0 -10.1 24.5 54 96 A H H 3< S+ 0 0 94 -4,-3.1 -2,-0.2 1,-0.2 -1,-0.2 0.865 109.3 54.3 -60.9 -38.2 -20.6 -10.8 25.4 55 97 A Q H 3< S+ 0 0 123 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.666 110.3 42.0 -74.1 -18.9 -20.0 -14.4 26.4 56 98 A N S << S- 0 0 33 -4,-0.9 5,-0.1 -3,-0.8 0, 0.0 -0.861 88.9 -89.2-133.2 156.7 -17.2 -13.8 28.9 57 99 A P > - 0 0 92 0, 0.0 3,-2.2 0, 0.0 4,-0.3 -0.327 49.5-109.6 -57.1 152.1 -16.0 -11.6 31.8 58 100 A L G > S+ 0 0 60 1,-0.3 3,-2.1 2,-0.2 4,-0.1 0.864 116.9 62.8 -57.1 -37.3 -14.1 -8.6 30.5 59 101 A T G > S+ 0 0 100 1,-0.3 3,-1.9 2,-0.2 -1,-0.3 0.545 76.0 87.3 -74.7 -2.6 -10.8 -10.0 31.9 60 102 A H G X S+ 0 0 33 -3,-2.2 3,-1.9 1,-0.3 29,-0.4 0.759 73.8 77.7 -55.2 -23.6 -11.2 -13.1 29.6 61 103 A L G < S+ 0 0 18 -3,-2.1 29,-2.7 1,-0.3 30,-0.4 0.759 87.8 56.4 -56.0 -23.1 -9.3 -10.6 27.3 62 104 A D G < S+ 0 0 114 -3,-1.9 2,-0.3 27,-0.2 -1,-0.3 0.458 78.4 114.9 -93.4 1.1 -6.2 -11.5 29.2 63 105 A K < - 0 0 113 -3,-1.9 26,-2.1 -4,-0.1 2,-0.5 -0.545 65.3-129.9 -76.1 130.0 -6.4 -15.3 28.6 64 106 A L E -F 88 0C 97 -2,-0.3 2,-0.5 24,-0.2 24,-0.3 -0.670 18.6-159.6 -84.1 126.3 -3.5 -16.6 26.5 65 107 A I E -F 87 0C 28 22,-3.0 22,-2.4 -2,-0.5 2,-0.3 -0.906 5.0-156.0-106.9 127.3 -4.4 -18.8 23.5 66 108 A T + 0 0 108 -2,-0.5 2,-0.3 20,-0.2 17,-0.1 -0.739 18.3 166.5-100.7 152.7 -1.7 -21.1 22.1 67 109 A Y - 0 0 10 16,-0.6 2,-0.2 -2,-0.3 19,-0.1 -0.941 19.2-131.0-158.7 171.2 -1.7 -22.4 18.5 68 110 A T > - 0 0 76 -2,-0.3 3,-2.0 1,-0.0 4,-0.4 -0.641 36.3 -84.8-129.9 177.3 0.5 -24.1 16.0 69 111 A S G > S+ 0 0 103 1,-0.3 3,-1.5 -2,-0.2 14,-0.0 0.861 121.3 58.2 -50.2 -42.3 1.9 -24.1 12.4 70 112 A D G 3 S+ 0 0 108 1,-0.3 -1,-0.3 3,-0.0 0, 0.0 0.550 93.7 68.0 -75.8 -1.7 -1.1 -25.9 11.1 71 113 A D G < S+ 0 0 39 -3,-2.0 2,-1.1 1,-0.1 -1,-0.3 0.616 77.1 87.8 -85.9 -14.7 -3.5 -23.2 12.3 72 114 A I < + 0 0 57 -3,-1.5 -1,-0.1 -4,-0.4 3,-0.1 -0.728 46.1 135.0 -90.8 99.6 -2.1 -20.6 9.8 73 115 A R + 0 0 125 -2,-1.1 2,-0.3 2,-0.1 -1,-0.2 0.186 61.5 28.2-130.5 8.0 -4.4 -21.3 6.9 74 116 A S S S- 0 0 25 -3,-0.1 29,-0.2 66,-0.1 2,-0.1 -0.945 107.4 -47.3-164.1 169.5 -5.5 -17.8 5.7 75 117 A I + 0 0 95 -2,-0.3 27,-3.1 27,-0.1 28,-0.2 -0.342 62.1 161.2 -55.1 122.4 -4.3 -14.2 5.6 76 118 A S > + 0 0 9 25,-0.3 4,-2.2 26,-0.2 5,-0.2 -0.546 13.6 173.7-150.0 69.4 -3.1 -13.6 9.2 77 119 A P T 4 S+ 0 0 48 0, 0.0 4,-0.1 0, 0.0 -1,-0.1 0.781 84.5 29.1 -61.0 -30.0 -0.8 -10.6 9.4 78 120 A V T >4 S+ 0 0 29 2,-0.1 3,-1.6 17,-0.1 4,-0.3 0.883 117.3 52.5 -93.5 -49.8 -0.5 -10.7 13.2 79 121 A A G >4 S+ 0 0 0 1,-0.3 3,-2.0 2,-0.2 4,-0.3 0.830 96.7 69.3 -63.0 -30.2 -1.0 -14.3 14.1 80 122 A Q G 3< S+ 0 0 108 -4,-2.2 3,-0.4 1,-0.3 -1,-0.3 0.801 101.2 49.6 -54.8 -29.9 1.8 -15.5 11.7 81 123 A Q G < S+ 0 0 129 -3,-1.6 -1,-0.3 -5,-0.2 -2,-0.2 0.537 108.9 50.5 -86.3 -6.8 4.2 -13.8 14.1 82 124 A H <> + 0 0 49 -3,-2.0 4,-3.2 -4,-0.3 -15,-0.2 0.129 61.0 115.1-126.7 19.4 3.0 -15.3 17.4 83 125 A V T 4 S+ 0 0 28 -3,-0.4 -16,-0.6 -4,-0.3 -1,-0.1 0.863 88.2 44.3 -58.9 -35.7 2.8 -19.1 17.0 84 126 A Q T 4 S+ 0 0 179 -3,-0.1 -1,-0.2 1,-0.1 -2,-0.1 0.931 123.2 32.9 -73.2 -47.0 5.5 -19.4 19.6 85 127 A T T 4 S- 0 0 88 -4,-0.2 -2,-0.2 1,-0.2 -1,-0.1 0.795 99.3-141.0 -79.9 -30.1 4.3 -16.9 22.1 86 128 A G < - 0 0 2 -4,-3.2 2,-0.3 -7,-0.1 -20,-0.2 -0.295 16.7-104.5 81.3 177.0 0.5 -17.4 21.6 87 129 A M E -F 65 0C 1 -22,-2.4 -22,-3.0 -2,-0.1 2,-0.1 -0.996 23.0-120.1-138.6 142.3 -1.9 -14.4 21.7 88 130 A T E > -F 64 0C 34 -2,-0.3 4,-2.7 -24,-0.3 -24,-0.2 -0.378 33.4-106.5 -73.4 163.9 -4.3 -13.3 24.3 89 131 A I H > S+ 0 0 0 -26,-2.1 4,-2.5 -29,-0.4 -28,-0.2 0.911 123.6 52.1 -55.2 -41.4 -8.0 -13.1 23.5 90 132 A G H > S+ 0 0 13 -29,-2.7 4,-2.4 1,-0.2 -1,-0.2 0.909 109.1 48.7 -64.2 -42.2 -7.7 -9.3 23.5 91 133 A Q H > S+ 0 0 83 -30,-0.4 4,-2.6 1,-0.2 -1,-0.2 0.878 111.2 51.5 -61.6 -40.0 -4.8 -9.5 21.0 92 134 A L H X S+ 0 0 0 -4,-2.7 4,-2.6 2,-0.2 -2,-0.2 0.908 110.0 48.0 -63.9 -42.0 -6.9 -11.9 18.9 93 135 A C H X S+ 0 0 0 -4,-2.5 4,-2.3 2,-0.2 5,-0.3 0.925 112.2 50.2 -62.4 -45.2 -9.8 -9.5 18.9 94 136 A D H X S+ 0 0 34 -4,-2.4 4,-3.0 1,-0.2 5,-0.4 0.960 114.7 43.1 -57.3 -51.2 -7.5 -6.6 18.0 95 137 A A H X S+ 0 0 0 -4,-2.6 6,-1.9 1,-0.2 4,-1.8 0.898 111.2 54.8 -64.4 -41.5 -6.0 -8.5 15.1 96 138 A A H < S+ 0 0 0 -4,-2.6 4,-0.2 4,-0.3 -1,-0.2 0.913 120.9 30.1 -60.6 -43.1 -9.3 -9.9 13.8 97 139 A I H < S+ 0 0 0 -4,-2.3 112,-0.3 -5,-0.2 -2,-0.2 0.942 126.7 37.6 -81.7 -50.8 -10.8 -6.4 13.5 98 140 A R H < S+ 0 0 35 -4,-3.0 91,-1.9 -5,-0.3 92,-0.2 0.770 134.2 20.4 -81.9 -26.4 -7.9 -4.2 12.8 99 141 A Y S < S- 0 0 89 -4,-1.8 -1,-0.2 -5,-0.4 -3,-0.2 0.282 98.1-123.4-121.2 5.7 -5.8 -6.4 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 -0.190 52.3-177.5 -67.7 154.0 -27.4 -14.3 8.3 135 177 A R - 0 0 80 19,-2.5 2,-0.5 16,-0.1 19,-0.3 -0.981 18.4-158.8-151.9 137.2 -25.6 -17.6 8.5 136 178 A L + 0 0 4 -17,-0.3 -13,-0.2 -2,-0.3 3,-0.1 -0.990 20.9 161.4-115.3 128.2 -22.0 -18.7 9.0 137 179 A D + 0 0 64 -2,-0.5 2,-0.3 1,-0.1 -1,-0.1 0.525 60.0 27.3-119.0 -20.4 -21.2 -22.2 7.8 138 180 A A - 0 0 24 -19,-0.1 2,-0.1 5,-0.0 -1,-0.1 -0.897 66.3-131.3-140.6 166.8 -17.4 -22.4 7.5 139 181 A E > - 0 0 50 -2,-0.3 4,-1.9 1,-0.1 3,-0.2 -0.392 57.1 -17.7-108.3-169.4 -14.3 -20.8 9.0 140 182 A E T 4 S+ 0 0 1 -38,-0.3 -1,-0.1 1,-0.3 -66,-0.1 -0.568 122.9 8.8 -73.6 140.7 -11.3 -19.3 7.3 141 183 A P T >4 S+ 0 0 17 0, 0.0 3,-1.4 0, 0.0 -1,-0.3 -0.994 125.2 55.8 -93.2 -2.1 -10.4 -19.7 4.4 142 184 A E G >4 S+ 0 0 94 1,-0.3 3,-1.9 -3,-0.2 4,-0.2 0.784 90.7 72.5 -64.0 -28.8 -13.4 -21.6 3.2 143 185 A L G 3< S+ 0 0 0 -4,-1.9 -102,-0.4 1,-0.3 3,-0.3 0.660 95.3 54.0 -67.1 -14.7 -16.1 -19.0 4.1 144 186 A N G < S+ 0 0 9 -3,-1.4 69,-1.0 -5,-0.2 -1,-0.3 0.470 99.4 64.6 -89.9 -2.3 -14.9 -16.6 1.3 145 187 A R < + 0 0 109 -3,-1.9 -1,-0.2 -4,-0.2 -2,-0.1 0.324 59.5 126.3-111.0 0.8 -15.2 -19.2 -1.5 146 188 A D - 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0 0 5 -119,-0.2 4,-2.8 -2,-0.2 5,-0.4 -0.958 24.5-113.6-133.3 157.8 -27.5 -9.0 3.6 157 199 A P H > S+ 0 0 0 0, 0.0 4,-2.0 0, 0.0 5,-0.2 0.927 119.9 48.8 -54.6 -41.3 -26.8 -5.3 3.7 158 200 A H H > S+ 0 0 48 -124,-2.6 4,-2.0 2,-0.2 5,-0.2 0.944 113.0 45.3 -60.8 -50.0 -30.0 -4.8 5.7 159 201 A A H > S+ 0 0 10 -125,-0.4 4,-2.0 1,-0.2 -1,-0.2 0.936 115.3 44.8 -66.0 -47.7 -29.3 -7.7 8.2 160 202 A I H X S+ 0 0 1 -4,-2.8 4,-2.8 1,-0.2 -1,-0.2 0.865 110.5 55.2 -70.1 -32.5 -25.7 -6.7 8.9 161 203 A A H X S+ 0 0 1 -4,-2.0 4,-2.5 -5,-0.4 -1,-0.2 0.920 108.8 47.9 -61.4 -42.9 -26.6 -3.0 9.3 162 204 A L H X S+ 0 0 62 -4,-2.0 4,-1.9 2,-0.2 -2,-0.2 0.889 112.4 49.4 -68.5 -35.1 -29.2 -3.8 11.9 163 205 A V H X S+ 0 0 1 -4,-2.0 4,-2.2 2,-0.2 -2,-0.2 0.956 112.5 46.7 -65.0 -49.1 -26.8 -6.1 13.8 164 206 A L H X>S+ 0 0 2 -4,-2.8 4,-2.6 1,-0.2 5,-0.5 0.888 108.5 56.8 -62.7 -37.8 -24.0 -3.4 13.7 165 207 A Q H X>S+ 0 0 62 -4,-2.5 4,-2.1 1,-0.2 5,-1.7 0.938 109.4 45.2 -57.2 -46.8 -26.5 -0.7 14.8 166 208 A Q H <5S+ 0 0 66 -4,-1.9 6,-1.6 3,-0.2 7,-0.4 0.894 114.5 48.7 -64.6 -39.2 -27.4 -2.8 17.9 167 209 A L H <5S+ 0 0 0 -4,-2.2 6,-0.3 5,-0.2 -2,-0.2 0.889 126.8 21.7 -67.9 -42.2 -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 0.836 138.1 23.5 -98.9 -40.4 -22.4 0.0 18.4 169 211 A L T < - 0 0 53 0, 0.0 4,-2.8 0, 0.0 3,-0.3 -0.332 46.7 -97.6 -66.8 159.1 -22.8 -3.3 28.1 175 217 A P H > S+ 0 0 91 0, 0.0 4,-2.3 0, 0.0 5,-0.2 0.835 120.6 51.5 -52.6 -41.6 -20.9 0.0 27.8 176 218 A D H > S+ 0 0 89 2,-0.2 4,-1.5 1,-0.2 -3,-0.0 0.932 115.3 40.8 -65.2 -42.0 -17.5 -1.3 28.7 177 219 A K H > S+ 0 0 28 -3,-0.3 4,-2.2 2,-0.2 -1,-0.2 0.883 112.9 56.3 -72.4 -35.6 -17.6 -4.1 26.1 178 220 A R H X S+ 0 0 54 -4,-2.8 4,-2.5 1,-0.2 -2,-0.2 0.910 105.5 51.5 -58.4 -42.2 -19.2 -1.8 23.6 179 221 A A H X S+ 0 0 47 -4,-2.3 4,-2.5 -5,-0.2 -1,-0.2 0.858 106.5 53.8 -67.8 -36.3 -16.3 0.6 23.9 180 222 A L H X S+ 0 0 45 -4,-1.5 4,-2.1 2,-0.2 -1,-0.2 0.950 112.8 43.3 -60.6 -49.2 -13.8 -2.1 23.3 181 223 A L H X S+ 0 0 0 -4,-2.2 4,-2.3 1,-0.2 5,-0.2 0.937 114.7 49.3 -61.8 -46.6 -15.5 -3.1 20.0 182 224 A T H X S+ 0 0 19 -4,-2.5 4,-2.6 1,-0.2 -1,-0.2 0.909 110.5 50.4 -60.0 -43.7 -16.0 0.5 18.9 183 225 A D H X S+ 0 0 90 -4,-2.5 4,-1.6 2,-0.2 -1,-0.2 0.897 109.1 50.7 -65.2 -40.9 -12.4 1.4 19.6 184 226 A W H < S+ 0 0 21 -4,-2.1 3,-0.3 1,-0.2 -1,-0.2 0.938 113.3 45.6 -63.4 -44.0 -11.0 -1.6 17.6 185 227 A M H >< S+ 0 0 1 -4,-2.3 22,-1.5 1,-0.2 3,-1.4 0.881 110.6 54.4 -64.6 -35.7 -13.3 -0.7 14.7 186 228 A A H 3< S+ 0 0 44 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.813 110.4 47.1 -64.4 -30.3 -12.2 3.0 15.0 187 229 A R T 3< S+ 0 0 124 -4,-1.6 -1,-0.3 -3,-0.3 -2,-0.2 0.157 82.0 143.5 -98.7 14.6 -8.6 1.9 14.8 188 230 A N < - 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