==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=25-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE (ACTING IN CYCLIC AMIDES) 17-DEC-93 1BLS . COMPND 2 MOLECULE: BETA-LACTAMASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ENTEROBACTER CLOACAE; . AUTHOR J.R.KNOX,P.C.MOEWS,E.LOBKOVSKY . 718 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 30068.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 504 70.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 8 1.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 133 18.5 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 10 1.4 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 . 40 5.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 86 12.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 190 26.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 18 2.5 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 5 0 2 1 3 1 3 2 2 3 1 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 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 . 4 8 6 2 0 3 3 2 0 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 4 0 0 0 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 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 2 A P 0 0 123 0, 0.0 3,-0.0 0, 0.0 2,-0.0 0.000 360.0 360.0 360.0 142.5 45.5 32.5 38.7 2 3 A V + 0 0 104 2,-0.0 5,-0.1 0, 0.0 0, 0.0 -0.105 360.0 145.9-160.9 -91.1 42.6 32.2 41.2 3 4 A S >> + 0 0 40 1,-0.1 4,-2.7 3,-0.1 3,-1.5 0.510 27.4 150.9 42.5 15.0 41.8 35.0 43.6 4 5 A E H 3> S+ 0 0 98 1,-0.3 4,-1.9 2,-0.2 -1,-0.1 0.762 72.3 44.8 -37.6 -47.7 38.2 34.0 43.2 5 6 A K H 3> S+ 0 0 162 2,-0.2 4,-0.9 1,-0.2 -1,-0.3 0.810 114.3 51.1 -70.2 -31.5 37.3 35.2 46.8 6 7 A Q H <> S+ 0 0 131 -3,-1.5 4,-2.2 2,-0.2 -2,-0.2 0.874 109.0 51.2 -70.0 -41.4 39.3 38.3 46.1 7 8 A L H X S+ 0 0 19 -4,-2.7 4,-2.1 1,-0.2 -2,-0.2 0.878 106.2 52.5 -63.2 -45.8 37.4 38.9 42.9 8 9 A A H X S+ 0 0 28 -4,-1.9 4,-1.7 -5,-0.2 -1,-0.2 0.782 110.9 50.7 -62.8 -28.9 34.0 38.6 44.5 9 10 A E H X S+ 0 0 109 -4,-0.9 4,-3.1 2,-0.2 -2,-0.2 0.918 106.3 52.7 -73.7 -48.4 35.3 41.2 47.0 10 11 A V H X S+ 0 0 42 -4,-2.2 4,-1.0 2,-0.2 -2,-0.2 0.906 113.2 44.0 -53.0 -50.9 36.5 43.7 44.4 11 12 A V H >X S+ 0 0 1 -4,-2.1 4,-3.1 2,-0.2 3,-0.7 0.940 115.8 46.0 -61.3 -54.7 33.1 43.6 42.6 12 13 A A H 3X S+ 0 0 31 -4,-1.7 4,-2.6 1,-0.2 -2,-0.2 0.895 111.2 53.3 -56.3 -46.6 31.0 43.9 45.8 13 14 A N H 3< S+ 0 0 112 -4,-3.1 -1,-0.2 1,-0.2 -2,-0.2 0.696 117.5 37.3 -62.9 -26.1 33.2 46.7 47.1 14 15 A T H S+ 0 0 68 0, 0.0 4,-2.4 0, 0.0 -1,-0.2 0.823 112.3 58.3 -67.7 -34.2 28.6 51.9 47.1 18 19 A L H X S+ 0 0 17 -4,-1.0 4,-2.6 1,-0.2 -2,-0.2 0.920 105.2 48.3 -61.1 -49.6 27.5 52.6 43.5 19 20 A M H <>S+ 0 0 16 -4,-2.4 5,-1.5 1,-0.2 4,-0.3 0.839 113.5 47.8 -61.6 -37.6 23.9 51.3 44.1 20 21 A K H <5S+ 0 0 141 -4,-1.3 3,-0.2 3,-0.2 -1,-0.2 0.903 115.3 44.2 -69.9 -45.9 23.6 53.3 47.3 21 22 A A H <5S+ 0 0 78 -4,-2.4 -2,-0.2 1,-0.2 -3,-0.2 0.870 125.4 30.9 -67.5 -43.7 24.8 56.6 45.8 22 23 A Q T <5S- 0 0 68 -4,-2.6 -1,-0.2 -5,-0.2 -2,-0.2 0.240 105.1-127.5 -99.9 7.3 22.9 56.4 42.5 23 24 A S T 5 - 0 0 95 -4,-0.3 -3,-0.2 -3,-0.2 -4,-0.1 0.893 39.1-179.9 37.9 66.7 20.0 54.5 44.1 24 25 A V < - 0 0 10 -5,-1.5 -1,-0.2 1,-0.1 3,-0.1 -0.819 23.2-150.1 -94.0 126.8 20.0 51.7 41.6 25 26 A P S S- 0 0 30 0, 0.0 19,-2.0 0, 0.0 2,-0.3 0.880 71.9 -7.5 -63.5 -48.8 17.3 49.0 42.3 26 27 A G E -A 43 0A 0 17,-0.3 314,-1.5 19,-0.1 2,-0.3 -0.988 58.3-169.5-152.8 156.0 19.1 46.0 40.8 27 28 A M E -AB 42 339A 0 15,-2.6 15,-2.5 -2,-0.3 2,-0.5 -0.979 10.7-156.5-154.5 136.6 22.2 45.2 38.8 28 29 A A E -AB 41 338A 0 310,-2.3 310,-2.7 -2,-0.3 2,-0.4 -0.955 22.2-171.1-113.0 129.3 23.6 42.1 37.0 29 30 A V E -AB 40 337A 0 11,-4.2 11,-3.7 -2,-0.5 2,-0.4 -0.973 12.5-171.8-130.2 142.0 27.4 42.1 36.6 30 31 A A E -AB 39 336A 0 306,-2.1 306,-2.3 -2,-0.4 2,-0.5 -0.999 3.1-168.1-135.4 128.0 29.8 39.8 34.6 31 32 A V E -AB 38 335A 5 7,-2.6 7,-1.9 -2,-0.4 2,-0.6 -0.986 10.8-153.7-116.9 121.2 33.6 39.9 34.8 32 33 A I E +AB 37 334A 4 302,-2.1 302,-1.8 -2,-0.5 2,-0.4 -0.903 22.0 170.6-100.4 123.1 35.4 37.9 32.2 33 34 A Y E > -AB 36 333A 42 3,-2.0 3,-0.6 -2,-0.6 300,-0.2 -0.935 65.0 -18.4-142.6 111.3 38.8 36.9 33.5 34 35 A Q T 3 S- 0 0 94 298,-0.9 299,-0.1 -2,-0.4 298,-0.1 0.931 127.0 -48.3 53.9 59.0 41.1 34.4 31.6 35 36 A G T 3 S+ 0 0 43 297,-0.6 -1,-0.2 1,-0.1 298,-0.1 0.562 117.7 108.4 64.8 15.5 38.4 33.0 29.4 36 37 A K E < -A 33 0A 113 -3,-0.6 -3,-2.0 2,-0.0 2,-0.2 -0.973 60.6-142.6-128.4 118.8 36.0 32.5 32.3 37 38 A P E -A 32 0A 28 0, 0.0 2,-0.4 0, 0.0 -5,-0.2 -0.544 12.8-161.6 -78.0 138.8 32.9 34.5 32.9 38 39 A H E -A 31 0A 22 -7,-1.9 -7,-2.6 -2,-0.2 2,-0.4 -0.995 7.5-150.5-125.3 120.7 31.9 35.4 36.5 39 40 A Y E -A 30 0A 70 -2,-0.4 2,-0.4 -9,-0.2 -9,-0.2 -0.796 14.1-179.1-102.0 136.1 28.4 36.5 37.3 40 41 A Y E -A 29 0A 40 -11,-3.7 -11,-4.2 -2,-0.4 2,-0.4 -0.988 7.3-169.0-130.8 132.4 27.4 38.8 40.1 41 42 A T E +A 28 0A 48 -2,-0.4 2,-0.3 -13,-0.2 -13,-0.2 -0.985 5.6 179.9-129.8 139.7 23.7 39.8 40.8 42 43 A F E -A 27 0A 38 -15,-2.5 -15,-2.6 -2,-0.4 12,-0.0 -0.993 38.4 -22.6-144.1 148.9 22.3 42.4 43.1 43 44 A G E S-A 26 0A 40 -2,-0.3 10,-2.2 -17,-0.3 2,-0.3 -0.072 86.6 -22.5 60.9-149.1 18.9 43.8 44.1 44 45 A K E -I 52 0B 71 -19,-2.0 3,-0.2 8,-0.3 296,-0.2 -0.790 22.0-171.1-108.7 142.6 15.6 43.7 42.5 45 46 A A E S+ 0 0 6 6,-3.2 155,-2.2 -2,-0.3 2,-0.4 0.817 96.3 21.9 -90.1 -39.8 14.3 43.3 39.0 46 47 A D E > -I 51 0B 26 5,-1.8 5,-2.4 153,-0.2 4,-0.3 -0.948 65.3-169.6-137.6 108.8 10.8 44.2 40.1 47 48 A I T > 5S+ 0 0 82 -2,-0.4 3,-0.5 3,-0.2 -1,-0.1 0.940 88.7 44.7 -61.5 -55.3 10.3 46.2 43.3 48 49 A A T 3 5S+ 0 0 100 1,-0.3 -1,-0.2 2,-0.1 -2,-0.0 0.914 121.5 38.2 -56.2 -52.3 6.5 45.8 43.5 49 50 A A T 3 5S- 0 0 60 2,-0.1 -1,-0.3 -4,-0.0 -2,-0.2 0.425 107.4-131.8 -81.3 -2.7 6.5 42.1 42.7 50 51 A N T < 5 + 0 0 100 -3,-0.5 -3,-0.2 -4,-0.3 -2,-0.1 0.877 45.0 164.3 48.0 53.5 9.7 41.8 44.8 51 52 A K E < -I 46 0B 91 -5,-2.4 -6,-3.2 1,-0.0 -5,-1.8 -0.857 29.4-135.1-100.8 131.0 11.6 39.8 42.1 52 53 A P E -I 44 0B 74 0, 0.0 2,-0.4 0, 0.0 -8,-0.3 -0.311 25.0 -98.9 -79.1 164.6 15.3 39.6 42.5 53 54 A V + 0 0 7 -10,-2.2 -12,-0.1 -26,-0.1 -10,-0.1 -0.698 47.3 179.3 -84.5 135.2 17.9 40.1 39.7 54 55 A T > - 0 0 54 -2,-0.4 3,-3.0 143,-0.1 172,-0.3 -0.919 47.2-100.5-134.5 160.6 19.1 36.7 38.3 55 56 A P T 3 S+ 0 0 47 0, 0.0 172,-1.0 0, 0.0 171,-0.2 0.614 126.0 52.9 -55.3 -14.2 21.5 35.7 35.5 56 57 A Q T 3 S+ 0 0 77 169,-0.1 2,-0.2 170,-0.1 141,-0.1 0.402 80.4 120.4-102.4 -3.1 18.4 35.2 33.5 57 58 A T < - 0 0 6 -3,-3.0 2,-0.4 1,-0.1 169,-0.4 -0.477 61.2-131.1 -67.2 130.5 16.9 38.6 34.1 58 59 A L B -j 198 0C 0 139,-2.7 141,-2.0 -2,-0.2 2,-0.3 -0.733 26.3-176.0 -90.1 130.4 16.3 40.6 30.9 59 60 A F E -K 224 0D 1 165,-3.2 165,-1.9 -2,-0.4 2,-0.5 -0.832 30.3-110.9-120.6 156.9 17.6 44.2 30.7 60 61 A E E -K 223 0D 1 -2,-0.3 163,-0.2 163,-0.2 279,-0.2 -0.808 22.8-159.6 -91.6 125.5 17.2 46.9 28.0 61 62 A L > - 0 0 0 161,-2.7 3,-1.7 -2,-0.5 262,-0.2 0.677 14.8-172.8 -79.8 -22.4 20.6 47.6 26.4 62 63 A G G > S+ 0 0 0 158,-0.7 3,-2.4 160,-0.5 160,-0.4 -0.375 73.5 1.0 62.2-138.5 19.9 51.0 24.9 63 64 A S G > S+ 0 0 19 254,-0.3 3,-1.7 1,-0.3 -1,-0.3 0.524 117.0 80.0 -58.9 -11.8 22.8 52.1 22.7 64 65 A I G X S+ 0 0 0 -3,-1.7 3,-1.5 1,-0.3 4,-0.5 0.693 78.2 75.3 -69.7 -16.3 24.7 48.9 23.3 65 66 A S G X> S+ 0 0 1 -3,-2.4 4,-1.4 1,-0.3 3,-0.8 0.709 79.8 71.8 -63.0 -24.4 22.4 47.5 20.7 66 67 A K H <> S+ 0 0 0 -3,-1.7 4,-2.1 153,-0.4 -1,-0.3 0.662 86.0 63.0 -67.1 -21.4 24.5 49.5 18.1 67 68 A T H <> S+ 0 0 0 -3,-1.5 4,-1.8 202,-0.2 -1,-0.3 0.799 104.0 48.9 -73.2 -28.3 27.4 47.0 18.6 68 69 A F H <> S+ 0 0 2 -3,-0.8 4,-2.3 -4,-0.5 -2,-0.2 0.869 110.2 50.0 -74.9 -42.0 25.0 44.3 17.2 69 70 A T H X S+ 0 0 2 -4,-1.4 4,-1.9 2,-0.2 -2,-0.2 0.882 110.5 52.2 -61.2 -41.5 24.1 46.6 14.3 70 71 A G H X S+ 0 0 0 -4,-2.1 4,-2.2 1,-0.2 -2,-0.2 0.903 110.9 45.1 -61.4 -48.8 27.8 47.1 13.7 71 72 A V H X S+ 0 0 0 -4,-1.8 4,-2.1 2,-0.2 -2,-0.2 0.836 111.8 51.8 -68.1 -36.9 28.5 43.3 13.6 72 73 A L H X S+ 0 0 6 -4,-2.3 4,-1.6 2,-0.2 -1,-0.2 0.857 112.3 46.8 -66.1 -39.1 25.6 42.6 11.3 73 74 A G H X S+ 0 0 1 -4,-1.9 4,-2.1 2,-0.2 -2,-0.2 0.901 111.0 52.5 -66.7 -43.1 26.8 45.3 9.0 74 75 A G H X S+ 0 0 0 -4,-2.2 4,-2.7 1,-0.2 -2,-0.2 0.870 108.2 50.9 -59.3 -43.2 30.3 43.9 9.2 75 76 A D H X S+ 0 0 1 -4,-2.1 4,-0.9 2,-0.2 -1,-0.2 0.832 108.8 50.5 -63.9 -40.8 29.0 40.4 8.3 76 77 A A H X>S+ 0 0 2 -4,-1.6 5,-1.3 2,-0.2 6,-1.1 0.871 111.0 49.7 -67.3 -38.8 27.2 41.8 5.2 77 78 A I H ><5S+ 0 0 32 -4,-2.1 3,-1.9 1,-0.2 -2,-0.2 0.973 109.7 51.1 -61.4 -53.0 30.4 43.5 4.2 78 79 A A H 3<5S+ 0 0 39 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.648 107.6 53.4 -57.5 -23.0 32.3 40.2 4.7 79 80 A R H 3<5S- 0 0 110 -4,-0.9 -1,-0.3 -3,-0.3 -2,-0.2 0.512 114.7-117.1 -90.0 -13.8 29.7 38.4 2.5 80 81 A G T <<5S+ 0 0 62 -3,-1.9 -3,-0.2 -4,-0.6 -2,-0.1 0.323 86.4 115.4 91.5 -3.8 30.2 40.9 -0.3 81 82 A E S - 0 0 50 -2,-0.3 3,-0.9 4,-0.1 22,-0.3 -0.985 22.6-137.0-135.9 141.6 30.6 48.0 0.9 84 85 A L T 3 S+ 0 0 17 -2,-0.3 22,-2.4 1,-0.2 21,-0.3 0.758 107.6 57.9 -67.8 -27.3 31.4 51.0 3.2 85 86 A D T 3 S+ 0 0 123 20,-0.2 -1,-0.2 19,-0.1 -3,-0.0 0.577 82.8 112.1 -79.5 -15.2 32.3 53.0 0.1 86 87 A D S < S- 0 0 34 -3,-0.9 19,-2.4 1,-0.1 20,-0.3 -0.272 75.1-110.7 -63.1 148.5 28.8 52.5 -1.5 87 88 A A B > -M 104 0E 45 17,-0.2 3,-1.6 1,-0.1 4,-0.4 -0.550 19.8-127.6 -76.7 142.0 26.5 55.4 -1.9 88 89 A V G >> S+ 0 0 0 15,-1.7 3,-1.8 12,-0.3 4,-1.7 0.863 108.0 67.9 -56.9 -39.3 23.5 55.3 0.4 89 90 A T G 34 S+ 0 0 56 14,-0.4 -1,-0.3 11,-0.3 6,-0.1 0.606 84.5 70.2 -57.2 -18.5 21.4 55.9 -2.7 90 91 A R G <4 S+ 0 0 165 -3,-1.6 -1,-0.3 1,-0.2 -2,-0.2 0.811 110.4 32.3 -71.4 -31.3 22.4 52.4 -4.0 91 92 A Y T <4 S+ 0 0 16 -3,-1.8 -2,-0.2 -4,-0.4 -1,-0.2 0.723 132.0 32.3 -97.4 -27.3 20.2 50.9 -1.3 92 93 A W >< + 0 0 45 -4,-1.7 3,-1.5 1,-0.1 -1,-0.2 -0.751 63.6 172.4-134.6 82.8 17.5 53.6 -1.1 93 94 A P T 3 S+ 0 0 73 0, 0.0 -1,-0.1 0, 0.0 -4,-0.1 0.650 71.8 73.3 -65.1 -18.9 17.1 55.1 -4.5 94 95 A Q T 3 S+ 0 0 98 1,-0.2 2,-2.3 2,-0.1 3,-0.1 0.671 71.3 92.3 -69.5 -20.2 14.1 57.1 -3.4 95 96 A L < + 0 0 2 -3,-1.5 -1,-0.2 1,-0.2 5,-0.1 -0.509 50.3 156.1 -77.2 72.8 16.5 59.4 -1.5 96 97 A T + 0 0 109 -2,-2.3 -1,-0.2 3,-0.1 -2,-0.1 0.532 19.3 125.3 -79.9 -13.6 16.8 61.8 -4.4 97 98 A G > - 0 0 20 1,-0.1 3,-2.1 -3,-0.1 4,-0.2 -0.217 66.1-128.9 -53.4 136.9 17.8 65.0 -2.6 98 99 A K G > S+ 0 0 165 1,-0.3 3,-1.1 2,-0.2 4,-0.2 0.696 104.9 71.7 -58.9 -22.3 21.0 66.5 -3.9 99 100 A Q G 3 S+ 0 0 32 1,-0.2 -1,-0.3 36,-0.2 3,-0.2 0.648 88.6 59.9 -68.4 -22.4 22.2 66.6 -0.3 100 101 A W G X S+ 0 0 2 -3,-2.1 3,-1.3 1,-0.2 -12,-0.3 0.475 77.8 104.9 -86.8 -5.0 22.7 62.8 -0.3 101 102 A Q T < S+ 0 0 160 -3,-1.1 -1,-0.2 1,-0.3 -2,-0.1 0.864 85.4 27.1 -40.9 -69.7 25.2 63.0 -3.1 102 103 A G T 3 S+ 0 0 48 -3,-0.2 2,-0.5 -4,-0.2 -1,-0.3 0.231 93.0 116.2 -88.5 14.8 28.5 62.4 -1.4 103 104 A I < - 0 0 1 -3,-1.3 -15,-1.7 40,-0.0 -14,-0.4 -0.731 44.5-166.8 -91.7 128.3 27.2 60.3 1.5 104 105 A R B > -M 87 0E 62 -2,-0.5 4,-1.3 -17,-0.2 3,-0.3 -0.537 38.3-103.9-106.1 172.2 28.4 56.7 1.8 105 106 A M H > S+ 0 0 0 -19,-2.4 4,-2.1 -21,-0.3 -20,-0.2 0.852 121.5 59.6 -63.0 -35.9 27.3 53.7 3.9 106 107 A L H > S+ 0 0 10 -22,-2.4 4,-1.9 -20,-0.3 -1,-0.2 0.856 100.6 54.1 -59.0 -43.1 30.4 54.4 6.1 107 108 A D H >>S+ 0 0 0 -23,-0.3 5,-2.2 -3,-0.3 6,-0.9 0.864 108.2 48.7 -61.0 -42.5 29.2 57.9 6.9 108 109 A L H ><5S+ 0 0 0 -4,-1.3 3,-0.8 1,-0.2 -2,-0.2 0.932 113.8 47.1 -62.6 -48.6 25.8 56.5 8.2 109 110 A A H 3<5S+ 0 0 0 -4,-2.1 160,-0.5 1,-0.2 -2,-0.2 0.771 119.1 38.2 -63.2 -35.2 27.6 53.9 10.3 110 111 A T H 3<5S- 0 0 1 -4,-1.9 -1,-0.2 -5,-0.1 -2,-0.2 0.211 109.3-111.0-108.3 13.3 30.1 56.2 11.9 111 112 A Y T <<5S+ 0 0 2 -3,-0.8 37,-2.0 -4,-0.5 4,-0.2 0.721 83.6 118.3 64.9 30.5 28.0 59.4 12.4 112 113 A T < + 0 0 0 -5,-2.2 32,-1.9 -6,-0.2 33,-0.5 0.320 29.1 108.4-108.7 9.9 29.9 61.4 9.7 113 114 A A S S- 0 0 2 -6,-0.9 -1,-0.2 30,-0.2 -5,-0.1 0.688 101.4 -86.8 -56.4 -27.3 27.0 62.1 7.3 114 115 A G S S- 0 0 0 32,-0.4 26,-2.0 -3,-0.2 27,-1.4 0.663 86.7 -33.2 122.2 33.7 27.0 65.8 8.3 115 116 A G + 0 0 17 31,-0.3 23,-0.1 -4,-0.2 3,-0.1 0.773 65.4 174.9 101.2 29.3 24.7 66.2 11.3 116 117 A L - 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