==== 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/HYDROLASE INHIBITOR 19-JAN-12 4DE2 . COMPND 2 MOLECULE: BETA-LACTAMASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR D.A.NICHOLS,Y.CHEN . 521 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 21531.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 374 71.8 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 . 81 15.5 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 . 9 1.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 79 15.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 165 31.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 10 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 0 0 0 0 0 0 4 2 7 2 1 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 67 0, 0.0 4,-2.4 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0 -61.9 21.4 67.4 -1.5 2 29 A V H > + 0 0 24 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.849 360.0 52.9 -60.5 -41.5 18.9 66.0 1.0 3 30 A Q H > S+ 0 0 84 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.911 111.5 46.9 -56.8 -49.4 16.6 69.0 0.8 4 31 A Q H > S+ 0 0 111 2,-0.2 4,-2.1 1,-0.2 -2,-0.2 0.878 112.2 50.3 -58.3 -46.3 16.4 68.7 -3.0 5 32 A K H X S+ 0 0 106 -4,-2.4 4,-2.6 2,-0.2 -2,-0.2 0.930 110.1 48.7 -62.2 -46.6 15.8 64.9 -2.7 6 33 A L H X S+ 0 0 1 -4,-2.7 4,-2.6 1,-0.2 -1,-0.2 0.883 110.8 52.4 -61.0 -38.0 13.0 65.4 -0.2 7 34 A A H X S+ 0 0 38 -4,-2.1 4,-2.5 2,-0.2 -1,-0.2 0.886 109.9 47.8 -61.2 -42.9 11.5 68.0 -2.5 8 35 A A H X S+ 0 0 59 -4,-2.1 4,-1.9 2,-0.2 -2,-0.2 0.886 111.4 51.0 -68.1 -39.1 11.6 65.7 -5.5 9 36 A L H X S+ 0 0 26 -4,-2.6 4,-1.0 2,-0.2 -2,-0.2 0.956 111.5 47.8 -58.1 -50.8 10.0 62.9 -3.4 10 37 A E H >X>S+ 0 0 21 -4,-2.6 3,-0.8 1,-0.2 5,-0.8 0.913 108.0 55.1 -60.1 -42.4 7.3 65.3 -2.3 11 38 A K H ><5S+ 0 0 174 -4,-2.5 3,-0.7 1,-0.3 -1,-0.2 0.928 112.7 41.9 -58.0 -43.3 6.6 66.5 -5.9 12 39 A S H 3<5S+ 0 0 108 -4,-1.9 -1,-0.3 1,-0.2 -2,-0.2 0.654 104.1 72.3 -73.9 -14.0 6.1 62.9 -7.1 13 40 A S H <<5S- 0 0 6 -4,-1.0 -1,-0.2 -3,-0.8 -2,-0.2 0.622 92.6-130.4 -83.3 -21.6 4.1 62.0 -4.0 14 41 A G T <<5S+ 0 0 49 -3,-0.7 2,-0.2 -4,-0.6 -3,-0.1 0.658 78.1 57.5 75.2 18.4 0.8 63.8 -4.6 15 42 A G S >> -AB 229 28A 5 5,-2.4 4,-2.3 -2,-0.5 3,-1.3 -0.879 2.1-160.6 -95.8 107.5 21.2 63.2 14.9 24 51 A T T 345S+ 0 0 27 204,-2.0 -1,-0.1 -2,-0.8 205,-0.1 0.588 80.3 80.0 -70.9 -4.1 22.3 62.8 18.5 25 52 A A T 345S- 0 0 62 203,-0.3 -1,-0.2 202,-0.2 204,-0.1 0.862 124.9 -3.6 -62.6 -35.6 25.9 62.4 17.4 26 53 A D T <45S- 0 0 91 -3,-1.3 -2,-0.2 2,-0.1 -1,-0.1 0.358 95.8-113.7-140.1 0.9 26.2 66.2 17.1 27 54 A N T <5 + 0 0 92 -4,-2.3 -3,-0.2 1,-0.2 2,-0.1 0.622 65.9 148.2 65.3 21.4 22.6 67.4 17.8 28 55 A T E < -B 23 0A 68 -5,-0.7 -5,-2.4 -6,-0.1 2,-0.3 -0.374 33.4-146.0 -82.1 162.1 22.2 68.6 14.2 29 56 A Q E -B 22 0A 92 -7,-0.2 2,-0.4 -3,-0.1 -7,-0.2 -0.916 14.7-158.9-129.3 149.2 18.9 68.6 12.5 30 57 A V E -B 21 0A 49 -9,-1.6 -9,-2.8 -2,-0.3 2,-0.4 -0.996 25.0-175.5-124.0 120.8 17.6 68.1 9.0 31 59 A L E -B 20 0A 54 -2,-0.4 2,-0.4 -11,-0.2 -11,-0.2 -0.977 20.2-179.3-118.2 141.8 14.1 69.7 8.5 32 60 A Y E S-B 19 0A 32 -13,-2.5 -13,-2.7 -2,-0.4 4,-0.1 -0.937 91.1 -17.3-134.9 117.9 11.7 69.7 5.6 33 61 A R S > S+ 0 0 89 -2,-0.4 3,-1.5 -15,-0.2 123,-0.1 0.874 91.6 161.0 49.3 41.3 8.5 71.7 6.3 34 62 A G T 3 + 0 0 5 1,-0.3 122,-2.5 121,-0.1 123,-0.4 0.724 66.6 42.2 -67.2 -22.3 9.8 71.3 9.9 35 63 A D T 3 S+ 0 0 100 120,-0.2 2,-0.3 119,-0.1 -1,-0.3 0.213 91.4 103.5-110.9 11.2 7.7 74.2 11.2 36 64 A E S < S- 0 0 65 -3,-1.5 2,-0.3 -4,-0.1 120,-0.1 -0.711 74.5-114.1 -89.2 146.3 4.5 73.4 9.3 37 65 A R + 0 0 94 -2,-0.3 117,-0.2 117,-0.2 110,-0.2 -0.594 34.8 178.0 -81.9 142.9 1.6 71.8 11.2 38 66 A F E -E 153 0B 1 115,-2.5 115,-1.8 -2,-0.3 2,-0.3 -0.980 39.2 -98.2-134.8 151.8 0.4 68.3 10.3 39 67 A P E -E 152 0B 12 0, 0.0 113,-0.3 0, 0.0 196,-0.2 -0.560 30.3-154.3 -68.9 127.8 -2.3 66.1 11.9 40 68 A M > + 0 0 0 111,-2.3 3,-1.8 -2,-0.3 112,-0.1 0.784 22.8 174.3 -70.3 -35.9 -0.6 63.7 14.3 41 69 A C G > S- 0 0 0 110,-0.6 3,-2.1 100,-0.5 -1,-0.2 -0.238 71.6 -9.1 48.3-138.9 -3.2 60.9 14.2 42 70 A S G > S+ 0 0 10 167,-0.3 3,-1.9 1,-0.3 4,-0.3 0.571 119.5 81.4 -68.0 -9.7 -1.9 57.9 16.2 43 71 A T G X S+ 0 0 0 -3,-1.8 3,-1.4 1,-0.3 4,-0.5 0.797 81.3 70.4 -61.8 -20.9 1.6 59.3 16.7 44 72 A S G <> S+ 0 0 0 -3,-2.1 4,-1.7 1,-0.3 3,-0.3 0.677 77.5 79.3 -65.5 -20.4 -0.1 61.3 19.5 45 73 A K H <> S+ 0 0 1 -3,-1.9 4,-2.5 1,-0.2 -1,-0.3 0.800 84.4 61.7 -59.1 -29.2 -0.4 57.9 21.4 46 74 A V H <> S+ 0 0 3 -3,-1.4 4,-2.5 -4,-0.3 -1,-0.2 0.927 103.6 47.5 -61.1 -45.5 3.3 58.4 22.3 47 75 A M H > S+ 0 0 2 -4,-0.5 4,-2.0 -3,-0.3 -2,-0.2 0.903 112.4 50.0 -63.2 -40.6 2.5 61.6 24.3 48 76 A A H X S+ 0 0 0 -4,-1.7 4,-1.9 2,-0.2 -2,-0.2 0.942 112.5 45.4 -64.6 -49.0 -0.5 59.9 26.0 49 77 A A H X S+ 0 0 0 -4,-2.5 4,-2.5 1,-0.2 -2,-0.2 0.915 113.1 51.6 -60.1 -43.4 1.5 56.9 27.1 50 78 A A H X S+ 0 0 0 -4,-2.5 4,-2.4 2,-0.2 -1,-0.2 0.853 106.2 54.4 -60.8 -38.7 4.4 59.1 28.2 51 79 A A H X S+ 0 0 3 -4,-2.0 4,-2.1 2,-0.2 -1,-0.2 0.904 109.6 47.1 -64.9 -39.6 2.1 61.2 30.3 52 80 A V H X S+ 0 0 0 -4,-1.9 4,-1.9 2,-0.2 -2,-0.2 0.909 109.8 53.3 -68.7 -41.9 0.8 58.1 32.1 53 81 A L H X S+ 0 0 1 -4,-2.5 4,-0.6 2,-0.2 -2,-0.2 0.913 107.6 51.9 -55.4 -42.5 4.4 57.0 32.6 54 82 A K H >< S+ 0 0 64 -4,-2.4 3,-1.3 1,-0.2 4,-0.4 0.940 108.3 51.1 -62.5 -40.8 5.2 60.4 34.2 55 83 A Q H >< S+ 0 0 52 -4,-2.1 3,-1.5 1,-0.3 4,-0.5 0.854 102.6 61.1 -59.2 -38.8 2.2 60.0 36.5 56 84 A S H 3< S+ 0 0 7 -4,-1.9 -1,-0.3 1,-0.3 6,-0.2 0.660 87.4 73.1 -69.3 -13.9 3.6 56.6 37.5 57 85 A E T << S+ 0 0 50 -3,-1.3 -1,-0.3 -4,-0.6 3,-0.2 0.744 109.3 31.7 -67.1 -27.5 6.7 58.2 38.9 58 86 A T S < S+ 0 0 126 -3,-1.5 2,-0.3 -4,-0.4 -1,-0.2 0.338 124.2 47.6-111.7 -0.2 4.7 59.5 41.8 59 87 A Q > - 0 0 89 -4,-0.5 3,-2.2 -3,-0.1 4,-0.3 -0.774 69.4-172.1-135.0 87.4 2.3 56.5 42.0 60 88 A K T 3 S+ 0 0 149 1,-0.3 3,-0.3 -2,-0.3 -4,-0.1 0.753 84.9 46.7 -60.1 -23.6 4.5 53.4 41.8 61 89 A Q T > S+ 0 0 139 1,-0.2 3,-1.6 2,-0.1 4,-0.4 0.374 81.5 105.0 -95.0 6.2 1.5 51.1 41.4 62 90 A L G X S+ 0 0 2 -3,-2.2 3,-2.0 1,-0.3 29,-0.5 0.864 72.4 57.3 -57.6 -42.1 -0.3 53.1 38.8 63 91 A L G 3 S+ 0 0 30 -4,-0.3 29,-2.5 -3,-0.3 30,-0.4 0.713 105.9 53.2 -68.7 -14.0 0.5 50.9 35.8 64 92 A N G < S+ 0 0 95 -3,-1.6 -1,-0.3 27,-0.2 -2,-0.2 0.469 81.2 118.3 -94.1 -0.2 -1.2 48.1 37.7 65 93 A Q < - 0 0 80 -3,-2.0 26,-1.3 -4,-0.4 2,-0.2 -0.446 64.8-127.3 -66.9 128.4 -4.4 50.1 38.2 66 94 A P E -F 90 0C 81 0, 0.0 2,-0.4 0, 0.0 24,-0.3 -0.498 19.3-162.1 -80.7 147.5 -7.4 48.4 36.5 67 95 A V E -F 89 0C 28 22,-2.2 22,-2.1 -2,-0.2 2,-0.2 -1.000 22.9-119.5-128.9 128.3 -9.6 50.3 34.1 68 96 A E E -F 88 0C 125 -2,-0.4 2,-0.6 20,-0.2 20,-0.2 -0.496 19.0-155.9 -67.9 132.3 -13.1 49.0 33.2 69 97 A I E -F 87 0C 0 18,-2.6 17,-3.1 15,-0.4 18,-0.7 -0.949 16.3-174.1-109.9 109.3 -13.7 48.2 29.6 70 98 A K >> - 0 0 93 -2,-0.6 3,-1.8 15,-0.2 4,-0.5 -0.701 37.9-112.9 -99.8 157.5 -17.4 48.3 28.8 71 99 A P G >4 S+ 0 0 73 0, 0.0 3,-1.4 0, 0.0 -1,-0.1 0.903 119.1 56.2 -54.2 -38.2 -19.1 47.4 25.5 72 100 A A G 34 S+ 0 0 92 1,-0.3 -3,-0.0 -3,-0.0 0, 0.0 0.670 96.8 64.8 -70.2 -13.7 -20.0 51.1 25.0 73 101 A D G <4 S+ 0 0 51 -3,-1.8 -1,-0.3 2,-0.0 2,-0.2 0.616 77.7 104.7 -82.2 -15.8 -16.3 52.1 25.3 74 102 A L << + 0 0 53 -3,-1.4 2,-0.1 -4,-0.5 4,-0.0 -0.478 47.7 177.2 -69.6 134.8 -15.3 50.2 22.1 75 103 A V - 0 0 49 -2,-0.2 3,-0.2 2,-0.0 -1,-0.1 0.059 48.9 -55.0-110.0-130.6 -14.6 52.5 19.2 76 104 A N S S+ 0 0 104 1,-0.3 2,-0.2 -2,-0.1 -2,-0.1 0.442 121.2 29.1-100.9 -7.2 -13.5 51.7 15.6 77 105 A Y + 0 0 124 1,-0.0 27,-2.8 0, 0.0 28,-0.7 -0.686 63.1 147.9-157.7 99.4 -10.2 49.8 16.1 78 106 A N > + 0 0 17 25,-0.2 4,-2.3 -2,-0.2 5,-0.3 -0.361 1.6 156.4-137.8 50.9 -9.9 47.8 19.2 79 107 A P T 4 S+ 0 0 37 0, 0.0 -1,-0.1 0, 0.0 4,-0.1 0.769 86.8 24.1 -55.9 -29.7 -7.8 44.7 18.5 80 108 A I T >4 S+ 0 0 27 -3,-0.1 3,-1.6 2,-0.1 4,-0.4 0.844 119.6 54.8-100.6 -48.5 -6.8 44.3 22.2 81 109 A A G >4 S+ 0 0 0 1,-0.3 3,-1.7 2,-0.2 4,-0.3 0.817 97.4 65.1 -57.7 -35.6 -9.6 46.0 24.1 82 110 A E G >< S+ 0 0 114 -4,-2.3 3,-0.6 1,-0.3 -1,-0.3 0.791 96.7 58.6 -60.3 -24.2 -12.3 43.9 22.5 83 111 A K G < S+ 0 0 142 -3,-1.6 -1,-0.3 -5,-0.3 -2,-0.2 0.697 109.4 44.1 -73.2 -17.8 -10.9 40.9 24.2 84 112 A H G X S+ 0 0 56 -3,-1.7 3,-1.7 -4,-0.4 -15,-0.4 0.242 76.2 139.1-118.5 13.8 -11.4 42.5 27.6 85 113 A V T < S+ 0 0 47 -3,-0.6 -15,-0.2 -4,-0.3 3,-0.1 -0.313 75.3 22.0 -65.5 139.1 -14.9 44.0 27.3 86 114 A N T 3 S+ 0 0 124 -17,-3.1 -1,-0.3 1,-0.3 2,-0.2 0.593 125.0 66.2 71.8 14.4 -16.9 43.5 30.5 87 115 A G E < S-F 69 0C 30 -3,-1.7 -18,-2.6 -18,-0.7 -1,-0.3 -0.494 86.3 -92.4-134.8-152.7 -13.6 43.1 32.3 88 116 A T E -F 68 0C 73 -20,-0.2 2,-0.3 -2,-0.2 -20,-0.2 -0.903 17.9-162.8-130.9 155.6 -10.6 45.3 33.1 89 117 A M E -F 67 0C 0 -22,-2.1 -22,-2.2 -2,-0.3 2,-0.1 -0.984 26.1-122.9-129.3 144.4 -7.2 46.2 31.7 90 118 A T E > -F 66 0C 29 -2,-0.3 4,-2.7 -24,-0.3 5,-0.2 -0.412 28.5-108.2 -75.5 165.7 -4.4 47.8 33.6 91 119 A L H > S+ 0 0 0 -26,-1.3 4,-2.2 -29,-0.5 -28,-0.2 0.833 123.0 55.0 -66.3 -30.4 -2.8 51.1 32.6 92 120 A A H > S+ 0 0 25 -29,-2.5 4,-2.6 2,-0.2 -1,-0.2 0.938 109.2 46.8 -59.4 -49.5 0.3 49.1 31.5 93 121 A E H > S+ 0 0 85 -30,-0.4 4,-2.5 1,-0.2 -2,-0.2 0.893 113.3 49.4 -60.6 -40.0 -1.9 46.9 29.3 94 122 A L H X S+ 0 0 0 -4,-2.7 4,-2.6 2,-0.2 5,-0.2 0.901 111.0 48.7 -67.6 -40.6 -3.6 50.0 27.9 95 123 A S H X S+ 0 0 0 -4,-2.2 4,-2.7 -5,-0.2 5,-0.3 0.925 113.1 47.7 -64.1 -45.4 -0.3 51.7 27.1 96 124 A A H X S+ 0 0 21 -4,-2.6 4,-2.9 2,-0.2 5,-0.5 0.917 113.5 47.6 -62.8 -42.2 1.1 48.6 25.5 97 125 A A H X>S+ 0 0 4 -4,-2.5 6,-1.8 -5,-0.2 4,-1.7 0.930 113.7 47.4 -64.8 -42.7 -2.1 48.2 23.4 98 126 A A H X5S+ 0 0 0 -4,-2.6 4,-0.5 4,-0.3 -2,-0.2 0.940 121.6 35.6 -64.5 -43.0 -2.1 51.8 22.3 99 127 A L H <5S+ 0 0 2 -4,-2.7 108,-0.2 -5,-0.2 -2,-0.2 0.929 126.5 32.6 -78.6 -47.7 1.5 51.9 21.4 100 128 A Q H <5S+ 0 0 35 -4,-2.9 87,-2.0 -5,-0.3 88,-0.3 0.729 135.2 22.4 -89.2 -25.2 2.2 48.5 20.0 101 129 A Y H <5S- 0 0 97 -4,-1.7 -3,-0.2 -5,-0.5 -2,-0.2 0.394 96.5-125.8-117.5 -7.4 -1.2 47.6 18.3 102 130 A S << - 0 0 14 -5,-0.5 2,-0.3 -4,-0.5 -4,-0.3 0.843 39.3-176.0 63.4 36.9 -2.5 51.2 17.9 103 131 A D > - 0 0 0 -6,-1.8 4,-1.9 1,-0.1 -25,-0.2 -0.500 18.1-157.8 -70.4 121.4 -5.7 50.3 19.8 104 132 A N H > S+ 0 0 7 -27,-2.8 4,-2.1 -2,-0.3 34,-0.3 0.826 91.5 52.3 -73.4 -35.7 -8.1 53.3 19.8 105 133 A T H > S+ 0 0 1 -28,-0.7 4,-1.9 2,-0.2 -1,-0.2 0.914 109.2 51.7 -63.6 -43.3 -10.1 52.3 22.8 106 134 A A H > S+ 0 0 0 1,-0.2 4,-2.0 2,-0.2 -2,-0.2 0.947 108.7 51.1 -59.2 -45.7 -6.8 51.9 24.8 107 135 A M H X S+ 0 0 0 -4,-1.9 4,-2.6 1,-0.2 -1,-0.2 0.905 106.5 54.5 -55.7 -45.9 -5.8 55.4 23.7 108 136 A N H X S+ 0 0 33 -4,-2.1 4,-2.3 1,-0.2 -1,-0.2 0.877 106.7 51.1 -57.9 -37.0 -9.2 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 0.879 109.6 50.6 -68.4 -35.9 -8.6 55.2 28.3 110 138 A L H X S+ 0 0 0 -4,-2.0 4,-1.1 2,-0.2 -2,-0.2 0.929 110.1 49.7 -63.6 -46.2 -5.1 56.9 28.5 111 139 A I H ><>S+ 0 0 2 -4,-2.6 5,-2.7 1,-0.2 3,-0.6 0.923 110.7 49.7 -58.8 -44.0 -6.7 60.2 27.6 112 140 A A H ><5S+ 0 0 70 -4,-2.3 3,-1.4 1,-0.3 -1,-0.2 0.884 106.5 55.2 -62.5 -42.3 -9.3 59.8 30.3 113 141 A Q H 3<5S+ 0 0 48 -4,-2.1 -1,-0.3 1,-0.3 -2,-0.2 0.747 109.0 49.4 -58.6 -26.9 -6.6 59.0 32.8 114 142 A L T <<5S- 0 0 23 -4,-1.1 -1,-0.3 -3,-0.6 -2,-0.2 0.388 125.1-102.0 -94.3 -2.2 -5.0 62.3 31.9 115 143 A G T < 5S- 0 0 69 -3,-1.4 -3,-0.2 -4,-0.3 3,-0.2 0.567 74.7 -50.4 95.1 14.1 -8.2 64.3 32.3 116 144 A G S >>> S+ 0 0 23 0, 0.0 4,-1.9 0, 0.0 3,-0.6 0.891 133.9 57.1 -52.1 -38.4 -7.3 65.8 25.5 118 146 A G H 3> S+ 0 0 50 1,-0.3 4,-2.3 2,-0.2 -2,-0.1 0.737 99.4 59.8 -66.7 -26.9 -6.2 69.0 27.2 119 147 A G H <> S+ 0 0 22 -3,-1.4 4,-1.9 2,-0.2 -1,-0.3 0.867 104.5 49.0 -65.9 -37.1 -4.6 67.0 30.0 120 148 A V H <>S+ 0 0 0 -4,-2.3 5,-2.7 1,-0.2 3,-0.8 0.931 109.5 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