==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=25-MAR-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE/ANTIBIOTIC 25-MAY-10 3N6I . 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) . 10799.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 183 68.8 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 . 5 1.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 38 14.3 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 . 5 1.9 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 0 134 0, 0.0 4,-1.9 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 125.7 -31.7 9.7 -8.1 2 44 A L H > + 0 0 40 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.868 360.0 53.8 -57.3 -44.5 -29.7 7.3 -5.8 3 45 A A H > S+ 0 0 46 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.900 109.6 49.3 -63.8 -39.5 -31.0 4.1 -7.4 4 46 A D H > S+ 0 0 97 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.887 111.5 49.5 -60.7 -42.7 -29.9 5.3 -10.8 5 47 A R H X S+ 0 0 138 -4,-1.9 4,-1.8 2,-0.2 -2,-0.2 0.917 111.7 47.4 -64.0 -45.4 -26.5 6.2 -9.4 6 48 A F H X S+ 0 0 3 -4,-2.9 4,-2.0 1,-0.2 -2,-0.2 0.919 111.7 51.1 -62.5 -42.2 -26.1 2.8 -7.7 7 49 A A H X S+ 0 0 22 -4,-2.6 4,-1.9 1,-0.2 -2,-0.2 0.876 107.3 53.8 -63.0 -36.3 -27.1 1.1 -11.0 8 50 A E H X S+ 0 0 62 -4,-2.1 4,-2.4 2,-0.2 -1,-0.2 0.911 107.5 50.7 -61.2 -42.7 -24.6 3.2 -12.9 9 51 A L H X S+ 0 0 6 -4,-1.8 4,-2.1 2,-0.2 -2,-0.2 0.868 106.1 55.5 -63.8 -39.7 -21.8 2.0 -10.6 10 52 A E H X>S+ 0 0 16 -4,-2.0 5,-2.2 1,-0.2 4,-0.6 0.918 110.4 44.8 -56.8 -46.0 -22.9 -1.6 -11.1 11 53 A R H ><5S+ 0 0 175 -4,-1.9 3,-0.7 3,-0.2 -2,-0.2 0.915 112.0 53.1 -63.8 -40.8 -22.5 -1.2 -14.9 12 54 A R H 3<5S+ 0 0 142 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.863 121.0 30.5 -63.8 -38.5 -19.1 0.6 -14.4 13 55 A Y H 3<5S- 0 0 34 -4,-2.1 -1,-0.2 -5,-0.1 -2,-0.2 0.296 102.5-123.1-104.4 8.3 -17.6 -2.2 -12.2 14 56 A D T <<5S+ 0 0 103 -3,-0.7 227,-0.4 -4,-0.6 2,-0.3 0.945 72.2 133.0 44.0 53.4 -19.5 -5.1 -13.8 15 57 A A < - 0 0 16 -5,-2.2 2,-0.5 -6,-0.2 224,-0.2 -0.800 66.2-124.3-130.5 163.9 -20.7 -5.7 -10.2 16 58 A R E -A 238 0A 61 222,-2.5 222,-1.7 -2,-0.3 2,-0.4 -0.967 37.0-163.7-106.3 128.2 -23.7 -6.5 -8.1 17 59 A L E -A 237 0A 0 -2,-0.5 2,-0.4 220,-0.2 220,-0.2 -0.943 12.0-170.7-120.3 136.6 -24.0 -3.8 -5.4 18 60 A G E +A 236 0A 0 218,-3.0 218,-2.6 -2,-0.4 2,-0.4 -0.988 7.5 177.8-126.6 140.5 -26.0 -3.8 -2.1 19 61 A V E +AB 235 32A 0 13,-2.6 13,-2.4 -2,-0.4 2,-0.3 -0.999 5.5 174.4-139.7 134.4 -26.5 -0.8 0.2 20 62 A Y E +AB 234 31A 19 214,-2.0 214,-2.4 -2,-0.4 11,-0.2 -0.960 8.4 171.7-141.0 130.8 -28.4 -0.3 3.4 21 63 A V E - B 0 30A 0 9,-2.5 9,-2.6 -2,-0.3 212,-0.2 -0.964 35.7-128.4-124.4 116.1 -28.6 2.7 5.8 22 64 A P - 0 0 6 0, 0.0 210,-0.3 0, 0.0 5,-0.0 -0.235 32.7 -94.5 -62.2 151.9 -31.3 2.3 8.5 23 65 A A - 0 0 57 6,-0.1 5,-0.2 1,-0.1 2,-0.2 -0.233 44.9-172.6 -61.2 152.7 -33.8 5.1 8.9 24 66 A T - 0 0 48 3,-2.5 -1,-0.1 -3,-0.1 5,-0.1 -0.623 46.2 -62.1-127.3-167.1 -33.2 7.8 11.5 25 67 A G S S+ 0 0 83 1,-0.2 -2,-0.0 -2,-0.2 3,-0.0 0.919 131.2 3.4 -38.7 -59.5 -35.1 10.7 13.1 26 68 A T S S+ 0 0 133 2,-0.1 2,-0.4 -3,-0.0 -1,-0.2 0.221 115.7 82.9-126.0 7.2 -35.4 12.6 9.8 27 69 A T - 0 0 30 -5,-0.0 -3,-2.5 3,-0.0 2,-0.1 -0.974 68.1-131.8-120.7 135.5 -33.9 10.3 7.2 28 70 A A - 0 0 83 -2,-0.4 -2,-0.1 -5,-0.2 -3,-0.0 -0.401 43.0 -87.3 -69.9 153.1 -35.6 7.5 5.3 29 71 A A - 0 0 33 -2,-0.1 2,-0.5 -6,-0.1 -1,-0.1 -0.353 38.8-136.7 -54.5 139.8 -33.7 4.2 5.1 30 72 A I E +B 21 0A 15 -9,-2.6 -9,-2.5 -3,-0.1 2,-0.4 -0.930 33.0 173.2 -99.8 129.7 -31.4 4.0 2.1 31 73 A E E +B 20 0A 115 -2,-0.5 2,-0.3 -11,-0.2 -11,-0.2 -0.979 21.4 163.6-147.5 131.7 -31.7 0.7 0.3 32 74 A Y E S-B 19 0A 29 -13,-2.4 -13,-2.6 -2,-0.4 -2,-0.0 -0.937 89.5 -24.3-144.9 114.3 -30.4 -0.9 -2.9 33 75 A R S > S+ 0 0 97 -2,-0.3 3,-1.5 -15,-0.2 125,-0.1 0.807 91.4 154.0 51.0 28.7 -30.6 -4.7 -3.2 34 76 A A T 3 + 0 0 5 1,-0.3 124,-2.7 -15,-0.2 125,-0.4 0.696 64.4 46.0 -65.6 -20.8 -30.6 -4.4 0.6 35 77 A D T 3 S+ 0 0 110 122,-0.2 -1,-0.3 121,-0.1 2,-0.2 0.349 88.7 105.4-104.2 4.1 -32.4 -7.8 1.1 36 78 A E S < S- 0 0 66 -3,-1.5 2,-0.2 1,-0.1 122,-0.2 -0.604 78.1-108.3 -79.7 144.6 -30.2 -9.8 -1.4 37 79 A R + 0 0 68 -2,-0.2 2,-0.3 119,-0.1 119,-0.2 -0.550 38.7 175.9 -74.6 136.3 -27.7 -12.2 0.1 38 80 A F E -E 155 0B 3 117,-2.3 117,-2.7 -2,-0.2 200,-0.0 -0.972 40.5 -93.4-129.7 149.8 -24.0 -11.4 -0.1 39 81 A A E -E 154 0B 4 -2,-0.3 115,-0.3 115,-0.2 198,-0.1 -0.352 26.9-139.0 -56.3 134.7 -21.1 -13.3 1.4 40 82 A F > + 0 0 0 113,-2.5 3,-1.6 95,-0.2 -1,-0.1 0.888 34.8 173.4 -50.6 -45.6 -20.1 -12.0 4.9 41 83 A C G > S- 0 0 0 112,-0.5 3,-1.3 102,-0.4 -1,-0.1 -0.313 71.2 -24.3 43.8-144.2 -16.4 -12.4 4.1 42 84 A S G > S+ 0 0 2 225,-2.6 3,-1.9 1,-0.3 4,-0.2 0.518 119.8 91.3 -70.8 -5.9 -14.4 -10.8 7.1 43 85 A T G X S+ 0 0 0 -3,-1.6 3,-1.4 224,-0.3 -1,-0.3 0.764 72.2 72.3 -60.5 -21.0 -17.3 -8.6 8.1 44 86 A F G <> S+ 0 0 3 -3,-1.3 4,-2.4 1,-0.2 -1,-0.3 0.713 79.1 77.2 -65.0 -19.3 -18.5 -11.4 10.4 45 87 A K H <> S+ 0 0 4 -3,-1.9 4,-2.2 2,-0.2 -1,-0.2 0.738 85.5 60.7 -65.5 -25.5 -15.5 -10.6 12.7 46 88 A A H <> S+ 0 0 0 -3,-1.4 4,-1.8 -4,-0.2 -1,-0.2 0.981 112.3 35.4 -66.6 -56.3 -17.3 -7.5 14.1 47 89 A P H > S+ 0 0 1 0, 0.0 4,-2.5 0, 0.0 -2,-0.2 0.843 114.6 60.7 -64.4 -30.1 -20.3 -9.4 15.5 48 90 A L H X S+ 0 0 0 -4,-2.4 4,-2.2 2,-0.2 -2,-0.2 0.942 105.8 45.1 -58.7 -48.5 -17.9 -12.3 16.4 49 91 A V H X S+ 0 0 0 -4,-2.2 4,-2.6 1,-0.2 -1,-0.2 0.905 111.7 53.7 -63.3 -38.9 -15.8 -10.1 18.7 50 92 A A H X S+ 0 0 0 -4,-1.8 4,-2.6 1,-0.2 -2,-0.2 0.908 108.4 50.3 -60.4 -43.1 -19.1 -8.8 20.2 51 93 A A H X S+ 0 0 2 -4,-2.5 4,-2.3 2,-0.2 -2,-0.2 0.920 111.6 46.4 -59.2 -48.2 -20.2 -12.4 20.9 52 94 A V H X S+ 0 0 1 -4,-2.2 4,-1.0 2,-0.2 -2,-0.2 0.919 114.6 48.2 -63.2 -44.7 -16.9 -13.3 22.6 53 95 A L H >< S+ 0 0 6 -4,-2.6 3,-0.7 1,-0.2 -2,-0.2 0.943 114.7 45.1 -57.5 -51.9 -17.0 -10.1 24.7 54 96 A H H 3< S+ 0 0 97 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.862 110.1 55.7 -61.5 -38.1 -20.7 -10.7 25.7 55 97 A Q H 3< S+ 0 0 120 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.681 110.5 40.6 -71.3 -22.3 -20.1 -14.4 26.5 56 98 A N S << S- 0 0 35 -4,-1.0 5,-0.0 -3,-0.7 0, 0.0 -0.850 89.2 -89.8-129.7 159.3 -17.3 -13.8 29.0 57 99 A P > - 0 0 94 0, 0.0 3,-2.0 0, 0.0 4,-0.2 -0.316 50.2-107.6 -58.7 154.5 -16.1 -11.6 31.9 58 100 A L G > S+ 0 0 62 1,-0.3 3,-1.9 2,-0.2 4,-0.1 0.853 116.7 63.6 -57.2 -35.0 -14.1 -8.7 30.7 59 101 A T G > S+ 0 0 102 1,-0.3 3,-1.5 2,-0.2 -1,-0.3 0.522 75.7 86.4 -76.2 -0.4 -10.8 -10.2 32.0 60 102 A H G X S+ 0 0 29 -3,-2.0 3,-1.6 1,-0.2 29,-0.5 0.739 75.0 76.8 -59.9 -22.3 -11.2 -13.2 29.6 61 103 A L G < S+ 0 0 23 -3,-1.9 29,-2.8 1,-0.3 30,-0.4 0.760 89.6 54.8 -57.0 -25.5 -9.3 -10.7 27.4 62 104 A D G < S+ 0 0 113 -3,-1.5 2,-0.3 27,-0.2 -1,-0.3 0.501 79.3 115.7 -92.0 -5.3 -6.2 -11.5 29.3 63 105 A K < - 0 0 111 -3,-1.6 26,-1.7 -4,-0.2 2,-0.4 -0.500 66.5-126.9 -67.7 127.4 -6.4 -15.3 28.7 64 106 A L E -F 88 0C 96 -2,-0.3 2,-0.5 24,-0.2 24,-0.3 -0.629 21.1-161.6 -78.5 128.0 -3.5 -16.6 26.6 65 107 A I E -F 87 0C 27 22,-2.6 22,-3.0 -2,-0.4 2,-0.3 -0.933 4.6-160.2-110.2 129.3 -4.4 -18.7 23.5 66 108 A T + 0 0 105 -2,-0.5 2,-0.3 20,-0.2 17,-0.1 -0.836 14.9 168.4-109.1 150.5 -1.8 -20.9 22.0 67 109 A Y - 0 0 11 16,-0.5 2,-0.2 -2,-0.3 19,-0.1 -0.930 19.1-129.0-152.5 173.4 -1.8 -22.3 18.4 68 110 A T > - 0 0 75 -2,-0.3 3,-1.9 1,-0.0 4,-0.4 -0.612 36.1 -86.2-125.5 176.3 0.5 -24.1 15.9 69 111 A S G > S+ 0 0 102 1,-0.3 3,-1.7 -2,-0.2 14,-0.0 0.882 122.2 57.8 -48.4 -43.3 1.9 -24.0 12.3 70 112 A D G 3 S+ 0 0 111 1,-0.3 -1,-0.3 3,-0.0 0, 0.0 0.530 93.2 67.6 -75.5 -4.3 -1.2 -25.9 11.0 71 113 A D G < S+ 0 0 39 -3,-1.9 2,-1.0 1,-0.1 -1,-0.3 0.539 79.4 89.1 -84.1 -11.4 -3.6 -23.2 12.3 72 114 A I < + 0 0 60 -3,-1.7 -1,-0.1 -4,-0.4 3,-0.1 -0.763 42.4 131.5 -95.2 99.3 -2.3 -20.7 9.8 73 115 A R + 0 0 119 -2,-1.0 2,-0.3 67,-0.1 -1,-0.2 0.165 62.4 36.5-132.9 8.8 -4.5 -21.3 6.7 74 116 A S S S- 0 0 31 -3,-0.1 29,-0.2 66,-0.1 2,-0.2 -0.940 105.0 -53.7-157.2 171.5 -5.5 -17.7 5.8 75 117 A I + 0 0 111 -2,-0.3 27,-2.9 1,-0.1 28,-0.2 -0.398 61.7 161.5 -59.0 119.2 -4.3 -14.1 5.6 76 118 A S > + 0 0 9 25,-0.3 4,-2.0 26,-0.2 5,-0.3 -0.515 13.9 172.8-147.8 69.4 -3.1 -13.6 9.1 77 119 A P T 4 S+ 0 0 47 0, 0.0 4,-0.2 0, 0.0 -1,-0.1 0.751 84.2 29.8 -58.2 -29.4 -0.7 -10.6 9.4 78 120 A V T >4 S+ 0 0 24 2,-0.1 3,-1.4 17,-0.1 4,-0.2 0.907 116.5 51.6 -95.8 -57.3 -0.6 -10.6 13.2 79 121 A A G >4 S+ 0 0 0 1,-0.3 3,-1.5 2,-0.2 4,-0.2 0.758 101.4 63.4 -58.0 -28.7 -1.1 -14.3 14.3 80 122 A Q G >< S+ 0 0 107 -4,-2.0 3,-0.7 1,-0.3 -1,-0.3 0.885 102.3 52.9 -60.3 -35.0 1.7 -15.5 11.9 81 123 A Q G < S+ 0 0 126 -3,-1.4 -1,-0.3 -5,-0.3 -2,-0.2 0.363 111.9 44.4 -80.1 3.1 4.1 -13.4 14.0 82 124 A H G <> + 0 0 52 -3,-1.5 4,-2.4 -4,-0.2 -1,-0.2 0.168 66.0 117.2-137.7 18.7 3.1 -15.0 17.3 83 125 A V T <4 S+ 0 0 28 -3,-0.7 -16,-0.5 -4,-0.2 -2,-0.1 0.883 84.4 46.0 -57.0 -41.3 2.8 -18.8 16.9 84 126 A Q T 4 S+ 0 0 177 1,-0.2 -1,-0.2 2,-0.1 -2,-0.1 0.956 121.7 35.0 -65.9 -47.0 5.6 -19.4 19.4 85 127 A T T 4 S- 0 0 90 1,-0.2 -2,-0.2 -4,-0.1 -1,-0.2 0.716 100.0-137.5 -81.2 -23.0 4.3 -17.0 22.1 86 128 A G < - 0 0 2 -4,-2.4 2,-0.3 -7,-0.1 -20,-0.2 -0.251 17.4-105.3 78.7 178.1 0.5 -17.4 21.7 87 129 A M E -F 65 0C 0 -22,-3.0 -22,-2.6 -2,-0.1 2,-0.1 -0.998 21.8-119.3-143.7 141.7 -1.9 -14.5 21.7 88 130 A T E > -F 64 0C 34 -2,-0.3 4,-2.5 -24,-0.3 -24,-0.2 -0.367 32.0-109.6 -74.5 161.3 -4.4 -13.2 24.4 89 131 A I H > S+ 0 0 0 -26,-1.7 4,-3.0 -29,-0.5 5,-0.2 0.918 123.1 53.0 -54.6 -44.0 -8.1 -13.1 23.6 90 132 A G H > S+ 0 0 14 -29,-2.8 4,-2.5 1,-0.2 -1,-0.2 0.930 109.7 47.2 -55.5 -48.7 -7.7 -9.2 23.6 91 133 A Q H > S+ 0 0 81 -30,-0.4 4,-2.6 2,-0.2 -1,-0.2 0.869 112.0 50.8 -61.1 -40.0 -4.9 -9.5 21.1 92 134 A L H X S+ 0 0 0 -4,-2.5 4,-2.7 2,-0.2 -2,-0.2 0.917 110.7 47.7 -64.5 -47.7 -7.0 -11.9 18.9 93 135 A C H X S+ 0 0 0 -4,-3.0 4,-2.2 2,-0.2 5,-0.3 0.919 112.8 50.7 -55.7 -46.1 -10.0 -9.5 19.0 94 136 A D H X S+ 0 0 37 -4,-2.5 4,-3.0 -5,-0.2 5,-0.5 0.948 114.4 42.4 -58.9 -51.3 -7.6 -6.6 18.1 95 137 A A H X S+ 0 0 0 -4,-2.6 6,-1.8 1,-0.2 4,-1.8 0.891 111.7 54.8 -62.7 -42.9 -6.1 -8.5 15.1 96 138 A A H < S+ 0 0 0 -4,-2.7 4,-0.2 4,-0.3 -1,-0.2 0.903 120.3 30.6 -61.4 -43.3 -9.4 -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 0.941 127.1 36.7 -79.4 -51.6 -10.9 -6.4 13.7 98 140 A R H < S+ 0 0 33 -4,-3.0 91,-1.9 -5,-0.3 92,-0.3 0.791 135.6 19.9 -82.4 -28.3 -8.0 -4.1 12.9 99 141 A Y S < S- 0 0 87 -4,-1.8 -1,-0.2 -5,-0.5 -3,-0.2 0.351 96.7-125.0-117.1 2.4 -6.0 -6.4 10.5 100 142 A S - 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0 0 0 22,-0.1 2,-0.3 -8,-0.1 21,-0.2 -0.180 52.0-177.9 -69.6 154.1 -27.6 -14.3 8.3 135 177 A R - 0 0 81 19,-2.4 2,-0.5 16,-0.2 19,-0.3 -0.979 17.6-158.1-150.5 139.7 -25.7 -17.6 8.6 136 178 A L + 0 0 4 -17,-0.4 -13,-0.2 -2,-0.3 3,-0.1 -0.990 20.5 162.3-116.0 128.5 -22.1 -18.7 9.1 137 179 A D + 0 0 61 -2,-0.5 2,-0.3 1,-0.2 -18,-0.1 0.562 59.8 23.6-119.7 -20.3 -21.3 -22.2 8.0 138 180 A A - 0 0 27 -19,-0.1 -1,-0.2 5,-0.0 2,-0.1 -0.924 65.3-129.5-143.7 164.6 -17.5 -22.4 7.7 139 181 A E > - 0 0 50 -2,-0.3 4,-2.0 1,-0.1 3,-0.3 -0.362 57.9 -20.0-102.4-170.0 -14.3 -20.6 9.0 140 182 A A T 4 S+ 0 0 8 -38,-0.3 -1,-0.1 1,-0.3 -66,-0.1 -0.555 122.1 13.3 -76.1 144.6 -11.4 -19.2 7.0 141 183 A P T >4 S+ 0 0 20 0, 0.0 3,-1.3 0, 0.0 -1,-0.3 -1.000 125.7 53.7 -88.1 -6.0 -10.4 -19.8 4.3 142 184 A E G >4 S+ 0 0 96 -3,-0.3 3,-2.1 1,-0.2 4,-0.3 0.824 93.4 70.3 -61.2 -33.7 -13.6 -21.6 3.2 143 185 A L G 3< S+ 0 0 3 -4,-2.0 -102,-0.4 1,-0.3 3,-0.3 0.669 97.6 51.2 -63.7 -18.2 -16.1 -18.9 4.1 144 186 A N G < S+ 0 0 17 -3,-1.3 69,-1.6 -5,-0.2 -1,-0.3 0.443 100.5 65.5 -92.4 -2.2 -15.0 -16.6 1.3 145 187 A R < + 0 0 113 -3,-2.1 -1,-0.2 -4,-0.2 -2,-0.2 0.347 61.0 128.6-108.2 1.2 -15.3 -19.3 -1.5 146 188 A D - 0 0 12 -3,-0.3 3,-0.1 -4,-0.3 -107,-0.1 -0.330 68.3-101.4 -63.6 140.3 -19.0 -20.1 -1.8 147 189 A P > - 0 0 58 0, 0.0 3,-2.0 0, 0.0 -1,-0.1 -0.300 48.6 -85.9 -58.1 147.9 -20.3 -19.9 -5.3 148 190 A P T 3 S+ 0 0 49 0, 0.0 3,-0.1 0, 0.0 -110,-0.1 -0.297 119.4 24.0 -50.1 137.5 -22.3 -16.7 -6.2 149 191 A G T 3 S+ 0 0 76 1,-0.3 2,-0.1 -112,-0.2 -112,-0.1 -0.010 90.0 126.2 89.5 -27.0 -25.9 -17.3 -5.2 150 192 A D < - 0 0 53 -3,-2.0 -1,-0.3 1,-0.1 -4,-0.1 -0.415 55.8-145.0 -64.2 137.3 -25.1 -20.0 -2.6 151 193 A E > + 0 0 99 -3,-0.1 3,-1.1 -2,-0.1 -16,-0.2 0.674 62.2 112.7 -82.0 -17.0 -26.6 -19.1 0.8 152 194 A R T 3 S+ 0 0 109 1,-0.2 -16,-0.1 -16,-0.1 -6,-0.1 -0.274 87.4 5.5 -55.5 139.9 -23.8 -20.5 2.9 153 195 A D T 3 S+ 0 0 2 1,-0.2 -113,-2.5 -114,-0.1 -112,-0.5 0.790 102.8 135.4 58.7 36.6 -21.8 -17.8 4.9 154 196 A T E < +E 39 0B 7 -3,-1.1 -19,-2.4 -19,-0.3 -115,-0.2 -0.781 29.2 169.8-116.6 157.3 -24.1 -15.0 3.8 155 197 A T E -E 38 0B 0 -117,-2.7 -117,-2.3 -2,-0.3 3,-0.1 -0.685 30.0-118.7-133.4-167.3 -25.8 -12.0 5.3 156 198 A T > - 0 0 4 -119,-0.2 4,-2.7 -2,-0.2 5,-0.4 -0.964 23.4-114.7-132.4 157.8 -27.6 -9.0 3.7 157 199 A P H > S+ 0 0 0 0, 0.0 4,-1.8 0, 0.0 -137,-0.2 0.928 120.5 49.0 -55.4 -39.8 -26.8 -5.3 3.8 158 200 A H H > S+ 0 0 46 -124,-2.7 4,-1.8 2,-0.2 5,-0.2 0.935 112.9 44.7 -62.0 -50.7 -30.1 -4.9 5.6 159 201 A A H > S+ 0 0 10 -125,-0.4 4,-1.9 1,-0.2 -1,-0.2 0.951 115.7 45.6 -64.7 -47.3 -29.5 -7.7 8.2 160 202 A I H X S+ 0 0 1 -4,-2.7 4,-2.8 1,-0.2 -1,-0.2 0.830 109.8 55.3 -67.5 -32.6 -25.9 -6.7 9.0 161 203 A A H X S+ 0 0 1 -4,-1.8 4,-2.6 -5,-0.4 -1,-0.2 0.930 108.7 47.7 -65.7 -43.2 -26.7 -3.0 9.3 162 204 A L H X S+ 0 0 64 -4,-1.8 4,-1.8 2,-0.2 -2,-0.2 0.871 113.1 49.2 -66.0 -37.8 -29.4 -3.7 11.9 163 205 A V H X S+ 0 0 1 -4,-1.9 4,-2.3 2,-0.2 -2,-0.2 0.958 112.2 46.6 -62.9 -52.4 -26.9 -6.0 13.8 164 206 A L H X S+ 0 0 2 -4,-2.8 4,-2.9 1,-0.2 5,-0.5 0.905 109.1 56.5 -59.3 -40.7 -24.1 -3.4 13.8 165 207 A Q H X>S+ 0 0 63 -4,-2.6 4,-2.2 1,-0.2 5,-2.1 0.932 109.3 45.2 -54.2 -49.8 -26.6 -0.7 14.9 166 208 A Q H <5S+ 0 0 69 -4,-1.8 6,-1.6 3,-0.2 7,-0.4 0.882 115.5 48.5 -62.6 -40.7 -27.5 -2.8 18.0 167 209 A L H <5S+ 0 0 0 -4,-2.3 6,-0.3 5,-0.2 -2,-0.2 0.909 127.2 21.2 -63.7 -48.0 -23.8 -3.5 18.8 168 210 A V H <5S+ 0 0 9 -4,-2.9 -3,-0.2 -5,-0.2 -2,-0.2 0.863 139.0 22.5 -94.9 -43.6 -22.5 0.0 18.4 169 211 A L T <5S+ 0 0 59 -4,-2.2 -3,-0.2 -5,-0.5 -4,-0.1 0.752 119.0 51.5 -99.2 -28.9 -25.5 2.4 18.9 170 212 A G S - 0 0 56 0, 0.0 4,-2.9 0, 0.0 3,-0.2 -0.376 46.6-100.2 -63.5 157.0 -22.8 -3.2 28.2 175 217 A P H > S+ 0 0 90 0, 0.0 4,-2.1 0, 0.0 5,-0.1 0.818 120.6 51.3 -49.5 -41.1 -21.1 0.2 27.9 176 218 A D H > S+ 0 0 91 2,-0.2 4,-1.4 1,-0.2 -3,-0.0 0.936 115.4 39.3 -67.4 -46.3 -17.6 -1.2 28.7 177 219 A K H > S+ 0 0 28 -3,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.871 114.0 57.1 -67.8 -37.5 -17.7 -4.0 26.2 178 220 A R H X S+ 0 0 54 -4,-2.9 4,-2.6 1,-0.2 -2,-0.2 0.887 105.5 50.2 -58.6 -41.0 -19.4 -1.7 23.7 179 221 A A H X S+ 0 0 47 -4,-2.1 4,-2.8 -5,-0.2 -1,-0.2 0.857 106.7 54.7 -69.6 -36.6 -16.5 0.8 23.9 180 222 A L H X S+ 0 0 47 -4,-1.4 4,-2.3 2,-0.2 -2,-0.2 0.950 112.5 43.3 -58.8 -49.5 -13.9 -2.0 23.3 181 223 A L H X S+ 0 0 0 -4,-2.1 4,-2.2 1,-0.2 -2,-0.2 0.934 115.0 49.0 -62.0 -48.7 -15.7 -3.0 20.1 182 224 A T H X S+ 0 0 19 -4,-2.6 4,-2.3 1,-0.2 -2,-0.2 0.914 111.1 50.5 -56.0 -46.9 -16.2 0.6 19.0 183 225 A D H X S+ 0 0 93 -4,-2.8 4,-1.6 1,-0.2 -1,-0.2 0.894 109.3 50.2 -63.5 -42.9 -12.5 1.5 19.7 184 226 A W H < S+ 0 0 21 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.914 113.0 45.9 -60.2 -43.9 -11.2 -1.5 17.7 185 227 A M H >< S+ 0 0 1 -4,-2.2 22,-1.6 1,-0.2 3,-1.2 0.856 109.8 55.4 -68.5 -34.2 -13.4 -0.6 14.7 186 228 A A H 3< S+ 0 0 41 -4,-2.3 -1,-0.2 20,-0.2 -2,-0.2 0.846 110.4 46.4 -63.1 -31.7 -12.3 3.1 15.1 187 229 A R T 3< S+ 0 0 127 -4,-1.6 -1,-0.2 -5,-0.1 -2,-0.2 0.181 82.2 142.9 -98.1 14.9 -8.7 1.9 14.8 188 230 A N < - 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