==== 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 3G35 . COMPND 2 MOLECULE: BETA-LACTAMASE CTX-M-9A; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR Y.CHEN,B.K.SHOICHET . 520 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 21325.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 375 72.1 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 . 81 15.6 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 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 . 7 1.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 78 15.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 168 32.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 12 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 4 2 6 2 2 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 2 0 2 2 0 2 3 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 . 4 0 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 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 28 A A > 0 0 73 0, 0.0 4,-2.4 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0 -65.4 20.9 67.4 -2.6 2 29 A V H > + 0 0 30 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.892 360.0 52.9 -57.3 -42.9 18.7 65.8 0.1 3 30 A Q H > S+ 0 0 91 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.896 110.4 46.5 -58.9 -44.3 16.4 68.8 0.0 4 31 A Q H > S+ 0 0 139 2,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.882 112.0 51.4 -67.2 -39.6 16.0 68.5 -3.8 5 32 A K H X S+ 0 0 104 -4,-2.4 4,-2.5 2,-0.2 -2,-0.2 0.910 110.4 47.8 -64.9 -42.6 15.4 64.7 -3.5 6 33 A L H X S+ 0 0 0 -4,-2.5 4,-2.6 2,-0.2 -1,-0.2 0.882 111.4 51.7 -66.2 -36.8 12.7 65.2 -0.8 7 34 A A H X S+ 0 0 38 -4,-2.0 4,-2.5 2,-0.2 -2,-0.2 0.896 110.3 48.3 -64.7 -41.1 11.1 67.9 -3.0 8 35 A A H X S+ 0 0 60 -4,-2.3 4,-2.5 2,-0.2 5,-0.2 0.917 112.0 49.4 -64.7 -43.9 11.1 65.5 -6.0 9 36 A L H X S+ 0 0 22 -4,-2.5 4,-1.7 1,-0.2 -2,-0.2 0.935 112.0 48.7 -58.7 -46.5 9.6 62.7 -3.9 10 37 A E H X>S+ 0 0 18 -4,-2.6 4,-1.2 1,-0.2 5,-0.6 0.929 110.6 50.9 -60.4 -45.0 6.9 65.1 -2.6 11 38 A K H ><5S+ 0 0 169 -4,-2.5 3,-0.7 1,-0.2 -2,-0.2 0.933 112.6 44.7 -60.0 -47.9 6.1 66.4 -6.1 12 39 A S H 3<5S+ 0 0 97 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.768 109.3 58.4 -68.4 -25.6 5.6 62.8 -7.5 13 40 A S H 3<5S- 0 0 11 -4,-1.7 -1,-0.2 -5,-0.2 -2,-0.2 0.735 97.3-138.6 -74.2 -26.8 3.6 61.8 -4.4 14 41 A G T <<5S+ 0 0 54 -4,-1.2 -3,-0.1 -3,-0.7 -4,-0.1 0.377 70.8 83.3 82.1 -3.2 1.0 64.5 -5.0 15 42 A G S >> -AB 229 28A 5 5,-2.9 4,-1.5 -2,-0.5 3,-1.2 -0.912 1.7-162.0 -99.2 110.5 21.6 63.2 14.3 24 51 A T T 345S+ 0 0 28 204,-2.1 205,-0.1 -2,-0.7 -1,-0.1 0.557 79.0 80.1 -75.0 -5.4 22.6 62.8 18.0 25 52 A A T 345S- 0 0 60 203,-0.3 -1,-0.3 202,-0.3 204,-0.1 0.845 125.8 -8.9 -61.0 -34.7 26.3 62.4 17.0 26 53 A D T <45S- 0 0 97 -3,-1.2 -2,-0.2 2,-0.1 -1,-0.1 0.207 96.7-103.5-153.2 12.4 26.6 66.2 16.6 27 54 A N T <5 + 0 0 98 -4,-1.5 -3,-0.2 1,-0.2 2,-0.1 0.635 63.5 160.0 64.1 17.3 23.1 67.6 16.8 28 55 A T E < -B 23 0A 68 -5,-0.7 -5,-2.9 -6,-0.1 2,-0.4 -0.428 22.6-157.5 -67.2 143.4 22.8 68.1 13.1 29 56 A Q E -B 22 0A 87 -7,-0.2 2,-0.4 -2,-0.1 -7,-0.2 -0.956 15.2-162.6-124.2 143.5 19.2 68.5 11.8 30 57 A V E -B 21 0A 40 -9,-1.7 -9,-2.6 -2,-0.4 2,-0.4 -0.998 20.1-176.2-121.8 123.8 17.7 68.0 8.4 31 59 A L E +B 20 0A 36 -2,-0.4 2,-0.4 -11,-0.2 -11,-0.2 -0.953 19.3 178.7-123.6 139.7 14.3 69.6 8.0 32 60 A Y E S-B 19 0A 25 -13,-2.5 -13,-2.7 -2,-0.4 4,-0.1 -0.938 91.7 -16.4-137.1 116.1 11.8 69.6 5.1 33 61 A R S > S+ 0 0 91 -2,-0.4 3,-1.6 -15,-0.2 123,-0.1 0.860 91.3 162.0 50.4 38.8 8.6 71.6 6.0 34 62 A G T 3 + 0 0 5 1,-0.3 122,-2.5 121,-0.1 123,-0.4 0.696 67.1 41.1 -62.7 -23.4 10.0 71.2 9.5 35 63 A D T 3 S+ 0 0 102 120,-0.2 2,-0.3 119,-0.1 -1,-0.3 0.226 91.0 102.7-113.9 12.6 7.9 74.1 10.8 36 64 A E S < S- 0 0 68 -3,-1.6 2,-0.2 -4,-0.1 120,-0.1 -0.732 75.0-112.8 -90.1 147.6 4.6 73.4 9.1 37 65 A R + 0 0 92 -2,-0.3 117,-0.2 117,-0.2 110,-0.2 -0.565 34.7 179.8 -80.9 140.6 1.8 71.7 11.0 38 66 A F E -E 153 0B 1 115,-2.6 115,-1.8 -2,-0.2 2,-0.3 -0.980 38.2 -99.4-133.7 148.9 0.7 68.2 10.2 39 67 A P E -E 152 0B 11 0, 0.0 113,-0.3 0, 0.0 196,-0.2 -0.563 30.1-153.7 -67.7 127.9 -2.1 66.0 11.8 40 68 A M > + 0 0 0 111,-2.4 3,-1.8 -2,-0.3 112,-0.1 0.789 22.4 175.7 -71.2 -32.2 -0.3 63.6 14.2 41 69 A C G > S- 0 0 0 110,-0.6 3,-2.2 100,-0.5 -1,-0.1 -0.246 71.3 -11.0 45.9-140.9 -2.9 60.9 14.1 42 70 A S G > S+ 0 0 10 167,-0.3 3,-1.8 1,-0.3 4,-0.3 0.554 119.6 82.4 -69.3 -4.8 -1.6 57.9 16.1 43 71 A T G X S+ 0 0 0 -3,-1.8 3,-1.3 1,-0.3 4,-0.5 0.785 81.1 70.3 -64.0 -20.5 1.9 59.2 16.5 44 72 A S G <> S+ 0 0 0 -3,-2.2 4,-1.6 1,-0.3 3,-0.5 0.680 76.9 80.2 -65.5 -18.2 0.3 61.2 19.3 45 73 A K H <> S+ 0 0 1 -3,-1.8 4,-2.5 1,-0.2 -1,-0.3 0.792 83.7 62.2 -61.2 -28.3 0.0 57.9 21.2 46 74 A V H <> S+ 0 0 3 -3,-1.3 4,-2.5 -4,-0.3 -1,-0.2 0.917 102.9 48.0 -61.4 -44.3 3.7 58.3 22.2 47 75 A M H > S+ 0 0 2 -3,-0.5 4,-2.0 -4,-0.5 -2,-0.2 0.892 112.4 49.1 -65.8 -39.0 3.0 61.5 24.1 48 76 A A H X S+ 0 0 0 -4,-1.6 4,-1.9 2,-0.2 -2,-0.2 0.940 113.3 45.6 -65.1 -46.9 -0.0 59.9 25.9 49 77 A A H X S+ 0 0 0 -4,-2.5 4,-2.3 1,-0.2 -2,-0.2 0.907 112.6 52.0 -62.5 -41.2 2.0 56.8 26.9 50 78 A A H X S+ 0 0 0 -4,-2.5 4,-2.3 1,-0.2 -1,-0.2 0.870 106.8 53.2 -64.0 -36.9 4.9 59.0 28.0 51 79 A A H X S+ 0 0 3 -4,-2.0 4,-2.2 2,-0.2 -1,-0.2 0.904 109.0 48.4 -66.3 -39.7 2.6 61.1 30.2 52 80 A V H X S+ 0 0 0 -4,-1.9 4,-2.0 2,-0.2 -2,-0.2 0.909 109.8 53.1 -66.1 -39.7 1.3 58.0 32.0 53 81 A L H X S+ 0 0 1 -4,-2.3 4,-0.6 2,-0.2 -2,-0.2 0.908 107.3 52.3 -59.5 -40.2 4.9 56.9 32.5 54 82 A K H >< S+ 0 0 65 -4,-2.3 3,-1.4 1,-0.2 4,-0.5 0.929 107.8 50.8 -62.1 -42.8 5.7 60.3 34.0 55 83 A Q H >X S+ 0 0 54 -4,-2.2 3,-1.3 1,-0.3 4,-1.1 0.864 102.9 61.6 -60.4 -35.6 2.7 59.8 36.4 56 84 A S H 3< S+ 0 0 7 -4,-2.0 -1,-0.3 1,-0.3 -2,-0.2 0.638 87.5 72.6 -69.0 -12.6 4.1 56.4 37.3 57 85 A E T << S+ 0 0 46 -3,-1.4 -1,-0.3 -4,-0.6 3,-0.2 0.803 110.0 30.6 -70.2 -28.4 7.3 58.0 38.7 58 86 A T T <4 S+ 0 0 126 -3,-1.3 2,-0.4 -4,-0.5 -2,-0.2 0.527 124.9 47.3-108.9 -11.6 5.4 59.2 41.7 59 87 A Q S >< S- 0 0 98 -4,-1.1 3,-2.1 1,-0.1 4,-0.3 -0.839 70.5-173.3-124.2 92.5 2.9 56.4 41.8 60 88 A K T 3 S+ 0 0 164 -2,-0.4 3,-0.2 1,-0.3 -1,-0.1 0.673 83.5 48.3 -65.4 -17.9 5.1 53.3 41.5 61 89 A Q T > S+ 0 0 136 1,-0.1 3,-1.4 2,-0.1 4,-0.3 0.351 80.3 103.7 -98.6 3.5 2.1 51.0 41.2 62 90 A L G X S+ 0 0 3 -3,-2.1 3,-1.8 1,-0.3 29,-0.5 0.856 73.8 56.9 -59.0 -41.0 0.2 53.0 38.6 63 91 A L G 3 S+ 0 0 30 -4,-0.3 29,-2.5 1,-0.3 30,-0.4 0.708 104.7 54.7 -67.0 -17.8 1.1 50.7 35.7 64 92 A N G < S+ 0 0 99 -3,-1.4 -1,-0.3 27,-0.2 -2,-0.2 0.458 81.0 119.0 -89.1 -3.6 -0.5 47.8 37.6 65 93 A Q < - 0 0 77 -3,-1.8 26,-1.4 -4,-0.3 2,-0.2 -0.477 63.2-129.9 -68.5 124.1 -3.8 49.8 38.0 66 94 A P E -F 90 0C 84 0, 0.0 2,-0.4 0, 0.0 24,-0.2 -0.509 19.5-163.4 -74.9 144.2 -6.8 48.0 36.4 67 95 A V E -F 89 0C 29 22,-2.1 22,-2.0 -2,-0.2 2,-0.1 -0.998 22.2-117.9-128.2 129.1 -9.1 50.0 34.1 68 96 A E E -F 88 0C 117 -2,-0.4 2,-0.6 20,-0.2 20,-0.3 -0.431 18.8-156.5 -68.5 135.3 -12.6 48.8 33.1 69 97 A I E -F 87 0C 0 18,-2.6 17,-2.5 15,-0.4 18,-0.8 -0.967 16.6-173.3-111.6 112.4 -13.3 48.1 29.4 70 98 A K >> - 0 0 80 -2,-0.6 3,-1.8 15,-0.2 4,-0.7 -0.702 37.6-112.6-102.7 155.2 -17.0 48.3 28.7 71 99 A P G >4 S+ 0 0 73 0, 0.0 3,-1.2 0, 0.0 -1,-0.1 0.891 119.2 56.8 -51.4 -38.3 -18.8 47.5 25.4 72 100 A A G 34 S+ 0 0 94 1,-0.2 -3,-0.0 -3,-0.0 0, 0.0 0.655 98.0 63.3 -68.0 -16.7 -19.6 51.2 25.0 73 101 A D G <4 S+ 0 0 50 -3,-1.8 -1,-0.2 2,-0.0 2,-0.1 0.690 77.5 103.9 -80.2 -21.8 -15.9 52.1 25.3 74 102 A L << + 0 0 53 -3,-1.2 2,-0.1 -4,-0.7 4,-0.1 -0.421 48.0 176.0 -66.1 133.1 -14.9 50.2 22.1 75 103 A V - 0 0 49 -2,-0.1 3,-0.2 2,-0.1 -1,-0.1 0.097 49.2 -54.3-110.9-131.9 -14.3 52.5 19.1 76 104 A N S S+ 0 0 103 1,-0.3 2,-0.2 -2,-0.1 -2,-0.1 0.482 121.2 29.5 -99.4 -5.1 -13.1 51.7 15.6 77 105 A Y + 0 0 125 1,-0.0 27,-2.7 0, 0.0 28,-0.7 -0.710 62.8 149.2-158.8 98.1 -9.9 49.8 16.0 78 106 A N > + 0 0 18 -2,-0.2 4,-2.4 25,-0.2 5,-0.2 -0.379 1.8 155.3-134.7 52.1 -9.6 47.7 19.1 79 107 A P T 4 S+ 0 0 36 0, 0.0 -1,-0.1 0, 0.0 4,-0.1 0.786 87.0 23.4 -59.4 -30.9 -7.4 44.6 18.4 80 108 A I T >4 S+ 0 0 29 -3,-0.1 3,-1.5 2,-0.1 4,-0.4 0.843 120.0 55.3 -98.2 -47.9 -6.4 44.3 22.1 81 109 A A G >4 S+ 0 0 0 1,-0.3 3,-1.6 2,-0.2 4,-0.2 0.816 96.5 66.0 -60.3 -31.4 -9.2 46.0 24.0 82 110 A E G >< S+ 0 0 116 -4,-2.4 3,-0.8 1,-0.3 -1,-0.3 0.798 96.0 58.1 -62.3 -25.3 -12.0 43.8 22.3 83 111 A K G < S+ 0 0 149 -3,-1.5 -1,-0.3 -5,-0.2 -2,-0.2 0.695 109.3 45.1 -73.9 -18.1 -10.5 40.8 24.1 84 112 A H G X S+ 0 0 52 -3,-1.6 3,-1.8 -4,-0.4 -15,-0.4 0.202 76.0 140.1-114.0 12.7 -11.1 42.5 27.5 85 113 A V T < S+ 0 0 48 -3,-0.8 -15,-0.2 1,-0.3 3,-0.1 -0.325 77.0 19.4 -62.7 142.0 -14.6 43.9 27.1 86 114 A N T 3 S+ 0 0 113 -17,-2.5 -1,-0.3 1,-0.3 2,-0.2 0.643 127.6 66.5 62.9 19.1 -16.6 43.5 30.4 87 115 A G E < S-F 69 0C 29 -3,-1.8 -18,-2.6 -18,-0.8 -1,-0.3 -0.435 85.8 -94.0-135.7-148.2 -13.2 43.1 32.0 88 116 A T E -F 68 0C 70 -20,-0.3 2,-0.3 -2,-0.2 -20,-0.2 -0.925 14.8-158.6-138.4 160.0 -10.2 45.2 32.7 89 117 A M E -F 67 0C 0 -22,-2.0 -22,-2.1 -2,-0.3 2,-0.1 -0.984 27.5-121.6-132.3 143.9 -6.7 46.1 31.3 90 118 A T E > -F 66 0C 34 -2,-0.3 4,-2.6 -24,-0.2 5,-0.2 -0.404 28.4-109.6 -76.5 162.2 -3.9 47.5 33.4 91 119 A L H > S+ 0 0 0 -26,-1.4 4,-2.3 -29,-0.5 -27,-0.2 0.841 122.6 54.4 -60.8 -32.2 -2.4 50.9 32.5 92 120 A A H > S+ 0 0 26 -29,-2.5 4,-2.5 2,-0.2 -1,-0.2 0.927 109.6 46.7 -62.4 -45.5 0.7 49.0 31.4 93 121 A E H > S+ 0 0 90 -30,-0.4 4,-2.4 1,-0.2 -2,-0.2 0.885 112.7 49.7 -64.7 -38.6 -1.4 46.8 29.1 94 122 A L H X S+ 0 0 0 -4,-2.6 4,-2.6 2,-0.2 -1,-0.2 0.902 110.7 49.8 -66.4 -41.3 -3.2 49.9 27.7 95 123 A S H X S+ 0 0 0 -4,-2.3 4,-2.6 2,-0.2 5,-0.2 0.937 113.8 45.1 -61.3 -47.5 0.1 51.6 27.1 96 124 A A H X>S+ 0 0 19 -4,-2.5 4,-2.9 2,-0.2 5,-0.5 0.888 113.5 50.6 -64.2 -39.7 1.6 48.6 25.2 97 125 A A H X5S+ 0 0 3 -4,-2.4 6,-2.0 -5,-0.2 4,-1.4 0.924 112.9 45.4 -65.8 -44.0 -1.7 48.1 23.3 98 126 A A H X5S+ 0 0 0 -4,-2.6 4,-0.6 4,-0.3 -2,-0.2 0.931 122.3 36.4 -62.4 -46.3 -1.8 51.8 22.2 99 127 A L H <5S+ 0 0 1 -4,-2.6 108,-0.2 -5,-0.2 -2,-0.2 0.924 126.5 31.9 -75.5 -45.2 1.9 51.9 21.2 100 128 A Q H <5S+ 0 0 34 -4,-2.9 87,-2.2 -5,-0.2 88,-0.3 0.731 135.4 22.9 -93.6 -24.3 2.6 48.4 19.8 101 129 A Y H < - 0 0 0 -6,-2.0 4,-2.0 1,-0.1 -1,-0.2 -0.493 18.2-158.2 -68.4 120.5 -5.3 50.3 19.7 104 132 A N H > S+ 0 0 8 -27,-2.7 4,-2.1 -2,-0.4 34,-0.3 0.810 90.7 53.1 -72.9 -32.1 -7.7 53.3 19.7 105 133 A T H > S+ 0 0 0 -28,-0.7 4,-1.9 2,-0.2 -1,-0.2 0.925 108.8 51.5 -67.3 -42.9 -9.7 52.2 22.8 106 134 A A H > S+ 0 0 0 1,-0.2 4,-1.9 2,-0.2 -2,-0.2 0.933 108.3 51.2 -57.6 -47.2 -6.4 51.8 24.7 107 135 A M H X S+ 0 0 0 -4,-2.0 4,-2.7 1,-0.2 -1,-0.2 0.920 106.5 55.0 -56.7 -43.9 -5.4 55.3 23.6 108 136 A N H X S+ 0 0 33 -4,-2.1 4,-2.4 1,-0.2 -1,-0.2 0.879 106.5 50.9 -58.7 -36.1 -8.8 56.7 24.9 109 137 A K H X S+ 0 0 40 -4,-1.9 4,-2.1 2,-0.2 -1,-0.2 0.866 109.6 50.2 -69.6 -35.9 -8.1 55.1 28.3 110 138 A L H X S+ 0 0 0 -4,-1.9 4,-1.2 2,-0.2 -2,-0.2 0.939 110.7 49.8 -63.2 -45.6 -4.7 56.8 28.4 111 139 A I H ><>S+ 0 0 2 -4,-2.7 5,-2.7 1,-0.2 3,-0.7 0.930 111.0 49.1 -58.4 -45.1 -6.3 60.1 27.5 112 140 A A H ><5S+ 0 0 70 -4,-2.4 3,-1.6 1,-0.3 -1,-0.2 0.897 106.4 56.0 -63.6 -38.9 -8.9 59.7 30.3 113 141 A Q H 3<5S+ 0 0 49 -4,-2.1 -1,-0.3 1,-0.3 -2,-0.2 0.776 108.1 50.2 -60.8 -27.0 -6.2 58.8 32.8 114 142 A L T <<5S- 0 0 23 -4,-1.2 -1,-0.3 -3,-0.7 -2,-0.2 0.374 125.0-101.4 -94.9 2.8 -4.6 62.1 31.9 115 143 A G T < 5S- 0 0 72 -3,-1.6 -3,-0.2 -4,-0.2 3,-0.2 0.624 77.1 -51.1 87.6 15.9 -7.8 64.2 32.4 116 144 A G S >>> S+ 0 0 24 0, 0.0 4,-1.9 0, 0.0 3,-0.7 0.856 131.6 62.0 -53.8 -36.3 -6.7 65.6 25.5 118 146 A G H 3> S+ 0 0 49 1,-0.2 4,-2.4 2,-0.2 -2,-0.1 0.763 96.6 59.3 -59.9 -27.7 -5.6 68.8 27.4 119 147 A G H <> S+ 0 0 21 -3,-1.8 4,-1.8 2,-0.2 -1,-0.2 0.849 104.0 49.9 -69.7 -34.3 -3.8 66.7 29.9 120 148 A V H <>S+ 0 0 0 -4,-2.1 5,-2.8 1,-0.2 3,-0.5 0.926 110.4 47.1 -54.6 -46.8 4.0 68.2 26.4 125 153 A R H ><5S+ 0 0 78 -4,-2.5 3,-1.8 1,-0.2 -1,-0.2 0.896 105.7 59.7 -62.1 -40.3 4.3 71.8 27.7 126 154 A A H 3<5S+ 0 0 82 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.777 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B P G >4 S+ 0 0 77 0, 0.0 3,-1.1 0, 0.0 -1,-0.1 0.885 118.8 54.7 -49.5 -39.9 14.5 90.6 -22.3 334 100 B A G 34 S+ 0 0 89 1,-0.2 -3,-0.0 -3,-0.0 0, 0.0 0.608 96.1 68.0 -70.6 -14.6 13.6 87.8 -19.8 335 101 B D G <4 S+ 0 0 32 -3,-1.9 -1,-0.2 2,-0.0 35,-0.1 0.742 75.3 104.7 -74.8 -26.3 17.3 86.8 -19.6 336 102 B L << + 0 0 53 -3,-1.1 2,-0.1 -4,-0.7 4,-0.1 -0.340 47.7 176.9 -61.9 133.4 18.3 90.0 -17.8 337 103 B V - 0 0 48 2,-0.1 3,-0.2 -2,-0.0 -1,-0.1 0.100 50.0 -55.1-109.4-133.0 19.0 89.6 -14.1 338 104 B N S S+ 0 0 102 1,-0.3 2,-0.2 -2,-0.1 -2,-0.1 0.470 122.1 28.9 -99.0 -4.1 20.2 92.1 -11.5 339 105 B Y + 0 0 124 1,-0.0 27,-2.7 0, 0.0 28,-0.7 -0.705 61.9 150.8-158.5 101.3 23.4 93.4 -13.0 340 106 B N > + 0 0 18 -2,-0.2 4,-2.2 25,-0.2 5,-0.2 -0.401 2.8 156.3-135.1 53.8 23.7 93.5 -16.8 341 107 B P T 4 S+ 0 0 39 0, 0.0 -1,-0.1 0, 0.0 4,-0.1 0.776 86.3 22.4 -59.4 -30.3 26.1 96.4 -17.8 342 108 B I T >4 S+ 0 0 43 -3,-0.1 3,-1.4 2,-0.1 4,-0.4 0.831 120.8 55.3 -99.3 -48.6 26.9 94.8 -21.1 343 109 B A G 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