==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=21-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE/HYDROLASE INHIBITOR 01-FEB-09 3G30 . COMPND 2 MOLECULE: BETA-LACTAMASE CTX-M-9A; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR Y.CHEN,B.K.SHOICHET . 262 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10729.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 186 71.0 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 . 41 15.6 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.4 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 . 0 0.0 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 . 37 14.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 84 32.1 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 0 0 0 0 0 0 2 1 3 2 0 0 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 1 0 1 1 0 1 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 26 A T 0 0 148 0, 0.0 5,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 138.8 24.1 9.4 84.0 2 27 A S > - 0 0 58 1,-0.1 4,-1.9 4,-0.0 5,-0.1 0.032 360.0-100.6 -69.2 175.3 21.2 10.6 81.8 3 28 A A H > S+ 0 0 67 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.919 123.8 53.7 -60.2 -47.6 21.1 12.6 78.6 4 29 A V H > S+ 0 0 20 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.878 108.4 49.6 -56.5 -42.0 20.1 15.7 80.6 5 30 A Q H > S+ 0 0 50 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.897 109.2 52.0 -66.7 -39.0 23.1 15.2 82.9 6 31 A Q H X S+ 0 0 128 -4,-1.9 4,-1.6 2,-0.2 -2,-0.2 0.897 112.1 45.7 -60.8 -42.9 25.4 14.9 79.9 7 32 A K H X S+ 0 0 95 -4,-2.4 4,-2.3 2,-0.2 -2,-0.2 0.875 112.6 50.4 -69.8 -38.6 24.1 18.2 78.5 8 33 A L H X S+ 0 0 0 -4,-2.4 4,-2.8 1,-0.2 -2,-0.2 0.920 110.9 49.5 -64.1 -42.4 24.3 19.9 81.9 9 34 A A H X S+ 0 0 36 -4,-2.7 4,-2.5 2,-0.2 -1,-0.2 0.851 110.7 49.6 -63.1 -36.1 27.9 18.8 82.2 10 35 A A H X S+ 0 0 63 -4,-1.6 4,-2.6 2,-0.2 -2,-0.2 0.909 111.4 49.1 -70.9 -40.0 28.7 20.0 78.7 11 36 A L H X S+ 0 0 23 -4,-2.3 4,-1.4 2,-0.2 -2,-0.2 0.929 111.5 49.7 -58.8 -47.8 27.2 23.4 79.6 12 37 A E H >X>S+ 0 0 17 -4,-2.8 4,-1.0 1,-0.2 5,-0.7 0.928 110.7 49.4 -62.5 -46.3 29.2 23.5 82.8 13 38 A K H ><5S+ 0 0 190 -4,-2.5 3,-0.6 1,-0.2 -1,-0.2 0.914 110.5 50.5 -57.9 -46.2 32.4 22.6 80.8 14 39 A S H 3<5S+ 0 0 86 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.781 108.5 54.5 -57.2 -31.3 31.7 25.4 78.3 15 40 A S H <<5S- 0 0 10 -4,-1.4 -1,-0.2 -3,-0.6 -2,-0.2 0.687 96.5-133.3 -83.4 -24.0 31.1 28.0 81.1 16 41 A G T <<5S+ 0 0 48 -4,-1.0 2,-0.1 -3,-0.6 -3,-0.1 0.546 74.6 81.3 79.0 6.9 34.4 27.6 83.0 17 42 A G S > -AB 231 30A 8 5,-2.5 4,-1.4 -2,-0.5 5,-0.5 -0.865 4.6-157.1 -93.2 115.8 8.6 17.3 89.0 26 51 A T T 45S+ 0 0 24 204,-1.9 -1,-0.1 -2,-0.7 205,-0.1 0.612 81.9 77.4 -76.4 -6.7 5.5 17.3 91.2 27 52 A A T 45S- 0 0 62 203,-0.3 -1,-0.2 202,-0.3 204,-0.0 0.977 124.9 -3.8 -56.0 -62.3 3.8 14.9 88.8 28 53 A D T 45S- 0 0 99 -3,-0.4 -2,-0.2 2,-0.1 -1,-0.2 0.269 97.2-118.4-114.7 7.0 5.7 11.7 89.9 29 54 A N T <5 + 0 0 90 -4,-1.4 -3,-0.2 1,-0.2 2,-0.1 0.723 59.7 156.1 55.8 27.6 8.0 13.6 92.4 30 55 A T E < -B 25 0A 74 -5,-0.5 -5,-2.5 -6,-0.0 2,-0.4 -0.487 29.9-145.4 -80.3 156.5 11.1 12.5 90.4 31 56 A Q E -B 24 0A 62 -7,-0.2 2,-0.5 -2,-0.1 -7,-0.2 -0.966 11.3-157.7-124.8 140.4 14.2 14.6 90.7 32 57 A V E -B 23 0A 34 -9,-1.7 -9,-2.5 -2,-0.4 2,-0.4 -0.983 24.8-174.3-115.3 128.0 16.9 15.5 88.2 33 59 A L E -B 22 0A 33 -2,-0.5 2,-0.4 -11,-0.2 -11,-0.2 -0.979 23.2-179.5-131.7 135.9 20.1 16.5 90.0 34 60 A Y E S-B 21 0A 31 -13,-2.7 -13,-2.6 -2,-0.4 -2,-0.0 -0.952 91.5 -19.2-133.1 116.9 23.5 17.9 88.9 35 61 A R S > S+ 0 0 94 -2,-0.4 3,-1.4 -15,-0.2 123,-0.1 0.895 90.6 162.2 47.5 42.8 25.9 18.5 91.8 36 62 A G T 3 + 0 0 6 1,-0.3 122,-2.7 121,-0.1 123,-0.4 0.624 66.7 42.8 -70.3 -17.5 22.7 18.4 93.7 37 63 A D T 3 S+ 0 0 97 120,-0.2 2,-0.3 119,-0.1 -1,-0.3 0.244 89.5 105.4-113.1 11.5 24.5 17.7 97.0 38 64 A E S < S- 0 0 63 -3,-1.4 2,-0.3 1,-0.1 120,-0.1 -0.670 74.8-111.3 -86.9 150.1 27.4 20.2 96.7 39 65 A R - 0 0 95 -2,-0.3 117,-0.2 117,-0.2 110,-0.1 -0.582 36.7-179.3 -78.5 138.8 27.3 23.4 98.7 40 66 A F E -E 155 0B 0 115,-2.3 115,-1.9 -2,-0.3 2,-0.2 -0.994 37.1-101.2-134.2 149.0 26.9 26.7 96.8 41 67 A P E -E 154 0B 14 0, 0.0 113,-0.2 0, 0.0 196,-0.2 -0.469 30.0-154.7 -64.1 128.8 26.8 30.3 98.1 42 68 A M > + 0 0 1 111,-2.4 3,-1.8 -2,-0.2 112,-0.1 0.842 22.4 174.1 -75.0 -35.9 23.1 31.3 98.2 43 69 A C G > S- 0 0 0 110,-0.5 3,-1.8 100,-0.5 -1,-0.2 -0.382 72.8 -9.7 50.1-138.8 23.5 35.0 97.8 44 70 A S G > S+ 0 0 6 167,-0.3 3,-1.7 1,-0.3 -1,-0.3 0.539 121.1 81.9 -67.4 -8.6 20.1 36.7 97.5 45 71 A T G X S+ 0 0 0 -3,-1.8 3,-1.4 1,-0.3 4,-0.5 0.787 80.1 68.6 -62.8 -24.0 18.3 33.3 97.1 46 72 A S G <> S+ 0 0 0 -3,-1.8 4,-1.6 1,-0.3 3,-0.3 0.652 79.0 80.5 -63.7 -18.4 18.4 33.1 100.9 47 73 A K H <> S+ 0 0 0 -3,-1.7 4,-2.7 1,-0.2 -1,-0.3 0.819 83.3 62.0 -63.0 -25.5 15.9 36.1 100.9 48 74 A V H <> S+ 0 0 2 -3,-1.4 4,-2.7 -4,-0.2 -1,-0.2 0.927 103.1 48.3 -66.9 -44.6 13.2 33.5 100.2 49 75 A M H > S+ 0 0 1 -4,-0.5 4,-2.1 -3,-0.3 -2,-0.2 0.913 112.9 47.7 -58.6 -45.0 13.9 31.8 103.6 50 76 A A H X S+ 0 0 0 -4,-1.6 4,-1.8 2,-0.2 -2,-0.2 0.941 114.9 45.5 -63.7 -46.0 13.9 35.2 105.5 51 77 A A H X S+ 0 0 0 -4,-2.7 4,-2.5 1,-0.2 -2,-0.2 0.929 112.9 50.1 -64.6 -45.3 10.6 36.3 103.9 52 78 A A H X S+ 0 0 0 -4,-2.7 4,-3.3 1,-0.2 -1,-0.2 0.895 107.9 54.4 -57.9 -41.9 9.0 32.8 104.5 53 79 A A H X S+ 0 0 3 -4,-2.1 4,-2.2 2,-0.2 -1,-0.2 0.895 108.7 46.9 -63.2 -41.1 10.0 33.0 108.1 54 80 A V H X S+ 0 0 0 -4,-1.8 4,-1.8 2,-0.2 -2,-0.2 0.922 111.0 53.4 -65.7 -44.9 8.3 36.4 108.7 55 81 A L H >X S+ 0 0 1 -4,-2.5 4,-0.6 2,-0.2 3,-0.5 0.955 107.3 51.9 -47.3 -55.7 5.3 34.9 106.8 56 82 A K H >< S+ 0 0 72 -4,-3.3 3,-1.4 1,-0.2 -2,-0.2 0.922 107.6 52.0 -48.9 -46.9 5.4 32.0 109.4 57 83 A Q H >X S+ 0 0 46 -4,-2.2 4,-2.4 1,-0.3 3,-1.7 0.884 102.1 60.9 -57.7 -35.2 5.4 34.6 112.2 58 84 A S H << S+ 0 0 6 -4,-1.8 -1,-0.3 -3,-0.5 -2,-0.2 0.596 83.5 77.5 -74.3 -12.2 2.4 36.3 110.8 59 85 A E T << S+ 0 0 42 -3,-1.4 -1,-0.3 -4,-0.6 -2,-0.2 0.587 115.0 20.6 -71.6 -11.0 0.2 33.2 111.2 60 86 A T T <4 S+ 0 0 112 -3,-1.7 2,-1.7 -4,-0.2 -2,-0.2 0.610 122.5 57.8-118.1 -44.0 0.0 34.0 114.9 61 87 A Q S >< S- 0 0 94 -4,-2.4 3,-2.8 1,-0.2 4,-0.3 -0.595 78.1-171.9 -84.4 81.3 0.9 37.7 114.8 62 88 A K T 3 S+ 0 0 147 -2,-1.7 3,-0.3 1,-0.3 -1,-0.2 0.721 77.6 36.2 -61.6 -28.4 -2.0 38.4 112.5 63 89 A Q T > S+ 0 0 142 1,-0.2 3,-1.4 -3,-0.1 4,-0.4 0.216 82.4 114.9-105.9 19.1 -1.2 42.1 111.6 64 90 A L G X S+ 0 0 5 -3,-2.8 3,-2.0 1,-0.3 29,-0.5 0.884 70.9 58.1 -51.9 -45.1 2.6 41.6 111.6 65 91 A L G 3 S+ 0 0 25 -4,-0.3 29,-2.8 1,-0.3 30,-0.4 0.735 103.5 53.8 -62.6 -24.7 2.9 42.4 107.9 66 92 A N G < S+ 0 0 93 -3,-1.4 -1,-0.3 27,-0.2 -2,-0.2 0.464 80.3 119.0 -87.8 -2.2 1.3 45.8 108.5 67 93 A Q < - 0 0 79 -3,-2.0 26,-1.2 -4,-0.4 2,-0.2 -0.482 65.2-125.9 -68.0 124.4 3.8 46.8 111.2 68 94 A P E -F 92 0C 83 0, 0.0 2,-0.5 0, 0.0 24,-0.2 -0.508 23.0-165.3 -70.4 135.6 5.9 49.9 110.3 69 95 A V E -F 91 0C 26 22,-2.6 22,-2.6 -2,-0.2 2,-0.2 -0.991 22.2-119.7-123.0 128.4 9.6 49.6 110.5 70 96 A E E -F 90 0C 111 -2,-0.5 2,-0.6 20,-0.3 20,-0.3 -0.462 15.3-147.9 -62.1 132.9 11.8 52.6 110.5 71 97 A I E -F 89 0C 0 18,-2.7 17,-2.5 15,-0.5 18,-0.7 -0.955 22.3-171.2-101.4 111.3 14.3 53.0 107.7 72 98 A K >> - 0 0 74 -2,-0.6 3,-1.9 15,-0.2 4,-0.6 -0.733 34.9-118.1 -98.4 148.2 17.3 54.9 109.1 73 99 A P G >4 S+ 0 0 76 0, 0.0 3,-0.9 0, 0.0 -1,-0.1 0.842 116.3 57.0 -50.4 -35.2 20.2 56.2 107.1 74 100 A A G 34 S+ 0 0 93 1,-0.2 -3,-0.0 -3,-0.0 0, 0.0 0.643 97.7 63.8 -73.3 -13.7 22.6 53.9 109.1 75 101 A D G <4 S+ 0 0 33 -3,-1.9 -1,-0.2 2,-0.0 2,-0.2 0.698 79.0 104.6 -78.6 -24.7 20.5 50.9 108.0 76 102 A L << + 0 0 54 -3,-0.9 2,-0.1 -4,-0.6 4,-0.0 -0.403 46.4 174.3 -72.0 134.0 21.4 51.4 104.3 77 103 A V - 0 0 46 -2,-0.2 3,-0.2 2,-0.0 -1,-0.1 0.001 51.2 -53.6-116.1-139.7 23.9 49.0 102.8 78 104 A N S S+ 0 0 104 1,-0.2 2,-0.3 -2,-0.1 -2,-0.1 0.669 121.2 26.1 -84.0 -18.2 25.3 48.4 99.3 79 105 A Y + 0 0 114 1,-0.0 27,-2.7 25,-0.0 28,-0.6 -0.773 60.2 150.0-154.5 97.8 22.0 47.9 97.3 80 106 A N > + 0 0 15 -2,-0.3 4,-1.9 -3,-0.2 5,-0.2 -0.515 2.6 161.8-134.9 62.9 18.8 49.4 98.4 81 107 A P T 4 S+ 0 0 20 0, 0.0 -1,-0.1 0, 0.0 4,-0.1 0.841 86.3 24.0 -53.2 -37.8 16.6 50.2 95.4 82 108 A I T >4 S+ 0 0 26 2,-0.1 3,-1.3 17,-0.1 4,-0.2 0.865 118.9 55.0 -98.1 -44.9 13.4 50.4 97.5 83 109 A A G >4 S+ 0 0 0 1,-0.3 3,-1.8 2,-0.2 4,-0.2 0.812 98.8 62.6 -65.3 -32.8 14.6 51.2 101.1 84 110 A E G >< S+ 0 0 113 -4,-1.9 3,-0.6 1,-0.3 -1,-0.3 0.745 97.0 61.6 -62.7 -21.2 16.5 54.4 100.0 85 111 A K G < S+ 0 0 139 -3,-1.3 -1,-0.3 1,-0.2 -2,-0.2 0.577 108.9 41.8 -75.9 -15.5 13.0 55.7 98.9 86 112 A H G X S+ 0 0 64 -3,-1.8 3,-1.8 -4,-0.2 -15,-0.5 0.145 75.6 144.2-124.9 20.5 11.8 55.5 102.5 87 113 A V T < S+ 0 0 45 -3,-0.6 -15,-0.2 1,-0.3 3,-0.1 -0.337 78.0 17.9 -61.6 139.8 14.8 56.8 104.5 88 114 A N T 3 S+ 0 0 142 -17,-2.5 -1,-0.3 1,-0.3 2,-0.2 0.644 125.5 74.6 59.8 20.8 13.6 58.9 107.6 89 115 A G E < S-F 71 0C 29 -3,-1.8 -18,-2.7 -18,-0.7 -1,-0.3 -0.564 83.7-106.3-131.8-159.7 10.3 57.1 107.0 90 116 A T E -F 70 0C 78 -20,-0.3 2,-0.3 -2,-0.2 -20,-0.3 -0.956 16.7-162.1-135.9 148.0 9.0 53.6 107.6 91 117 A M E -F 69 0C 2 -22,-2.6 -22,-2.6 -2,-0.3 2,-0.1 -0.953 27.3-116.6-122.8 152.9 8.1 50.6 105.5 92 118 A T E > -F 68 0C 31 -2,-0.3 4,-2.6 -24,-0.2 5,-0.2 -0.372 26.4-109.4 -80.5 163.7 5.9 47.7 106.6 93 119 A L H > S+ 0 0 2 -26,-1.2 4,-2.1 -29,-0.5 -27,-0.2 0.831 123.3 53.2 -61.9 -29.5 7.1 44.1 107.0 94 120 A A H > S+ 0 0 23 -29,-2.8 4,-2.5 2,-0.2 -1,-0.2 0.926 110.3 45.2 -65.0 -46.5 5.0 43.3 103.9 95 121 A E H > S+ 0 0 84 -30,-0.4 4,-2.4 2,-0.2 -2,-0.2 0.874 113.8 50.7 -67.6 -34.6 6.7 46.1 101.9 96 122 A L H X S+ 0 0 0 -4,-2.6 4,-2.3 2,-0.2 -1,-0.2 0.906 110.2 48.6 -68.4 -43.3 10.1 44.9 103.2 97 123 A S H X S+ 0 0 0 -4,-2.1 4,-2.6 1,-0.2 5,-0.2 0.929 113.4 47.6 -63.3 -46.1 9.4 41.4 102.2 98 124 A A H X S+ 0 0 18 -4,-2.5 4,-3.2 2,-0.2 5,-0.4 0.897 112.2 49.2 -57.1 -45.4 8.3 42.5 98.7 99 125 A A H X S+ 0 0 4 -4,-2.4 4,-1.8 2,-0.2 6,-1.7 0.910 112.5 48.4 -66.3 -39.0 11.3 44.7 98.2 100 126 A A H X S+ 0 0 0 -4,-2.3 4,-0.7 4,-0.3 -2,-0.2 0.944 121.2 34.6 -66.0 -47.9 13.7 41.9 99.3 101 127 A L H < S+ 0 0 0 -4,-2.6 108,-0.3 -5,-0.2 -2,-0.2 0.885 125.8 36.5 -75.4 -41.6 12.1 39.4 97.0 102 128 A Q H < S+ 0 0 38 -4,-3.2 87,-2.5 -5,-0.2 88,-0.3 0.711 134.1 20.3 -91.5 -26.8 11.1 41.5 94.0 103 129 A Y H < S- 0 0 93 -4,-1.8 -3,-0.2 -5,-0.4 -2,-0.2 0.365 97.8-122.1-119.0 0.9 14.0 44.0 93.8 104 130 A S < - 0 0 15 -4,-0.7 2,-0.4 -5,-0.4 -4,-0.3 0.867 42.2-175.2 57.6 39.8 16.6 42.0 95.8 105 131 A D > - 0 0 0 -6,-1.7 4,-1.6 1,-0.2 -25,-0.2 -0.556 17.4-161.2 -74.8 121.8 16.9 44.9 98.3 106 132 A N H > S+ 0 0 7 -27,-2.7 4,-2.2 -2,-0.4 34,-0.3 0.771 90.1 54.2 -76.4 -31.8 19.6 44.2 100.8 107 133 A T H > S+ 0 0 0 -28,-0.6 4,-1.8 2,-0.2 -1,-0.2 0.925 108.6 52.0 -67.6 -41.7 18.5 46.7 103.4 108 134 A A H > S+ 0 0 0 1,-0.2 4,-1.8 2,-0.2 -2,-0.2 0.910 108.6 50.4 -55.7 -47.0 15.1 45.0 103.2 109 135 A M H X S+ 0 0 0 -4,-1.6 4,-2.8 1,-0.2 -1,-0.2 0.922 106.5 54.5 -62.1 -44.5 16.7 41.6 103.8 110 136 A N H X S+ 0 0 33 -4,-2.2 4,-2.2 1,-0.2 -1,-0.2 0.864 106.0 52.8 -57.9 -35.6 18.6 43.0 106.8 111 137 A K H X S+ 0 0 29 -4,-1.8 4,-1.8 2,-0.2 -1,-0.2 0.901 109.1 49.4 -61.3 -42.1 15.3 44.1 108.3 112 138 A L H X S+ 0 0 0 -4,-1.8 4,-1.2 2,-0.2 -2,-0.2 0.897 110.3 50.4 -63.3 -44.1 13.9 40.6 107.9 113 139 A I H <>S+ 0 0 4 -4,-2.8 5,-2.6 1,-0.2 3,-0.5 0.924 110.3 49.7 -58.2 -44.3 17.0 39.1 109.5 114 140 A A H ><5S+ 0 0 73 -4,-2.2 3,-1.2 1,-0.2 -2,-0.2 0.869 106.6 56.2 -62.3 -36.7 16.6 41.5 112.5 115 141 A Q H 3<5S+ 0 0 50 -4,-1.8 -1,-0.2 1,-0.3 -2,-0.2 0.783 108.9 47.8 -67.8 -27.9 12.9 40.6 112.8 116 142 A L T 3<5S- 0 0 27 -4,-1.2 -1,-0.3 -3,-0.5 -2,-0.2 0.383 122.3-103.6 -94.8 2.3 14.0 37.0 113.2 117 143 A G T < 5S- 0 0 72 -3,-1.2 -3,-0.2 -4,-0.3 3,-0.2 0.729 76.6 -50.9 87.0 20.3 16.8 37.6 115.8 118 144 A G S >> S+ 0 0 24 0, 0.0 4,-2.4 0, 0.0 17,-0.3 0.862 132.8 61.0 -57.1 -31.4 21.0 34.9 110.8 120 146 A G H 3> S+ 0 0 56 1,-0.2 4,-1.6 -3,-0.2 -2,-0.1 0.755 100.3 54.8 -58.8 -29.6 20.5 32.1 113.4 121 147 A G H <> S+ 0 0 19 -3,-1.8 4,-1.2 2,-0.2 -1,-0.2 0.815 107.6 48.3 -78.4 -32.8 16.8 32.9 113.4 122 148 A V H X S+ 0 0 0 -4,-1.3 4,-1.7 -3,-0.2 3,-0.3 0.922 112.0 49.0 -70.3 -42.4 16.5 32.5 109.6 123 149 A T H X S+ 0 0 22 -4,-2.4 4,-2.4 13,-0.3 -2,-0.2 0.894 104.4 61.6 -65.0 -34.9 18.4 29.2 109.9 124 150 A A H X S+ 0 0 55 -4,-1.6 4,-2.3 1,-0.2 -1,-0.2 0.878 102.1 51.1 -55.3 -44.0 15.9 28.3 112.8 125 151 A F H X S+ 0 0 13 -4,-1.2 4,-1.6 -3,-0.3 6,-0.2 0.950 107.2 52.4 -61.5 -48.3 13.0 28.5 110.3 126 152 A A H ><>S+ 0 0 0 -4,-1.7 5,-2.5 1,-0.2 3,-0.5 0.932 112.4 46.2 -49.2 -50.5 14.8 26.2 107.8 127 153 A R H ><5S+ 0 0 108 -4,-2.4 3,-1.6 1,-0.2 -1,-0.2 0.900 106.9 58.1 -60.5 -40.0 15.2 23.7 110.6 128 154 A A H 3<5S+ 0 0 82 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.756 110.6 43.7 -63.1 -26.7 11.5 24.2 111.6 129 155 A I T <<5S- 0 0 34 -4,-1.6 -1,-0.3 -3,-0.5 -2,-0.2 0.250 126.0 -97.7-103.7 12.9 10.5 23.1 108.1 130 156 A G T < 5S+ 0 0 54 -3,-1.6 2,-0.9 1,-0.2 -3,-0.2 0.387 78.5 135.3 91.7 -2.8 12.9 20.1 107.9 131 157 A D < + 0 0 8 -5,-2.5 -1,-0.2 -6,-0.2 -2,-0.2 -0.703 19.4 168.2 -81.5 110.1 15.7 21.8 105.9 132 158 A E + 0 0 160 -2,-0.9 -1,-0.2 1,-0.1 -5,-0.1 0.268 68.6 59.4-103.8 6.9 18.9 20.6 107.7 133 159 A T S S+ 0 0 41 -7,-0.1 21,-0.2 23,-0.1 -1,-0.1 0.790 78.2 91.9-108.1 -43.2 21.2 21.8 105.0 134 160 A F + 0 0 0 21,-0.1 2,-0.4 -11,-0.1 21,-0.2 -0.280 50.2 179.2 -53.9 131.7 20.5 25.6 104.7 135 161 A R - 0 0 85 19,-1.7 2,-0.5 16,-0.1 19,-0.4 -0.970 13.9-169.1-138.3 128.9 22.8 27.8 106.9 136 162 A L + 0 0 4 -2,-0.4 -13,-0.3 -17,-0.3 -14,-0.1 -0.988 17.3 160.8-113.7 131.9 22.7 31.5 107.0 137 163 A D + 0 0 59 -2,-0.5 2,-0.3 1,-0.1 -17,-0.1 0.583 55.5 36.0-125.4 -29.5 25.7 33.0 108.9 138 164 A R - 0 0 34 -19,-0.1 -1,-0.1 -20,-0.1 2,-0.1 -0.824 68.6-122.1-129.7 168.1 26.0 36.6 108.0 139 165 A T > - 0 0 61 -2,-0.3 4,-1.7 1,-0.1 -2,-0.1 -0.308 57.5 -33.8 -95.2-175.9 23.8 39.6 107.1 140 166 A E T 4 S+ 0 0 3 -34,-0.3 -1,-0.1 1,-0.3 -96,-0.0 -0.688 118.2 10.2 -82.7 142.1 23.9 41.7 103.9 141 167 A P T >4 S+ 0 0 52 0, 0.0 3,-1.9 0, 0.0 -1,-0.3 -0.999 122.0 56.5 -97.7 -2.0 26.1 42.4 102.1 142 168 A T G >4 S+ 0 0 69 1,-0.3 3,-1.6 2,-0.1 -2,-0.2 0.707 90.8 75.1 -65.7 -19.0 28.9 40.1 103.5 143 169 A L G 3< S+ 0 0 1 -4,-1.7 -100,-0.5 1,-0.3 3,-0.4 0.639 89.7 63.0 -65.7 -8.6 26.8 36.9 103.0 144 170 A N G < + 0 0 18 -3,-1.9 69,-2.3 1,-0.2 -1,-0.3 0.272 63.7 106.3-101.0 10.0 27.6 37.3 99.3 145 171 A T < - 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