==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=5-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 04-SEP-02 1IYP . COMPND 2 MOLECULE: TOHO-1 BETA-LACTAMASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR T.SHIMAMURA,A.IBUKA,S.FUSHINOBU,T.WAKAGI,M.ISHIGURO,Y.ISHII, . 260 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11258.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 183 70.4 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 . 40 15.4 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 . 5 1.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 36 13.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 81 31.2 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 0 0 0 0 0 0 2 1 4 1 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 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 . 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 28 A S > 0 0 80 0, 0.0 4,-2.2 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0 168.0 39.3 52.9 23.8 2 29 A V H > + 0 0 50 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.916 360.0 49.8 -55.8 -46.3 38.6 49.1 23.4 3 30 A Q H > S+ 0 0 90 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.913 111.4 48.0 -60.4 -43.7 41.7 48.7 21.3 4 31 A Q H > S+ 0 0 130 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.819 110.8 53.0 -67.3 -29.3 43.9 50.6 23.8 5 32 A Q H X S+ 0 0 95 -4,-2.2 4,-2.1 2,-0.2 -2,-0.2 0.891 109.4 47.3 -72.9 -39.9 42.4 48.5 26.6 6 33 A L H X S+ 0 0 0 -4,-2.2 4,-3.0 2,-0.2 -2,-0.2 0.928 111.3 49.2 -67.9 -46.3 43.2 45.2 24.9 7 34 A E H X S+ 0 0 86 -4,-2.2 4,-2.7 1,-0.2 -1,-0.2 0.875 112.0 50.3 -62.3 -35.3 46.8 46.1 24.1 8 35 A A H X S+ 0 0 51 -4,-1.4 4,-2.1 -5,-0.2 -1,-0.2 0.909 110.0 50.0 -67.8 -41.2 47.2 47.2 27.7 9 36 A L H X S+ 0 0 25 -4,-2.1 4,-1.6 1,-0.2 -2,-0.2 0.938 113.0 46.9 -60.6 -46.6 45.8 43.9 28.9 10 37 A E H X>S+ 0 0 18 -4,-3.0 4,-1.2 1,-0.2 5,-0.9 0.915 109.5 54.0 -60.4 -46.0 48.2 42.0 26.6 11 38 A K H <5S+ 0 0 147 -4,-2.7 3,-0.4 1,-0.2 -1,-0.2 0.904 113.7 40.1 -57.3 -46.7 51.2 44.1 27.7 12 39 A S H <5S+ 0 0 100 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.729 107.5 64.9 -78.0 -20.6 50.7 43.4 31.4 13 40 A S H <5S- 0 0 9 -4,-1.6 -1,-0.2 -5,-0.2 -2,-0.2 0.753 97.7-133.3 -72.6 -27.7 49.7 39.7 30.8 14 41 A G T <5S+ 0 0 49 -4,-1.2 2,-0.2 -3,-0.4 -3,-0.1 0.647 72.4 73.4 82.5 14.7 53.2 38.8 29.5 15 42 A G S >> -AB 229 28A 15 5,-3.0 4,-1.5 -2,-0.5 3,-0.9 -0.856 4.6-163.1 -93.4 109.5 28.0 41.4 16.6 24 51 A T T 345S+ 0 0 35 204,-1.9 -1,-0.1 -2,-0.8 205,-0.1 0.620 79.7 79.1 -71.6 -8.6 25.3 39.7 14.6 25 52 A A T 345S- 0 0 66 203,-0.3 -1,-0.2 202,-0.2 204,-0.1 0.911 127.1 -7.6 -62.1 -41.9 23.0 42.7 15.1 26 53 A D T <45S- 0 0 104 -3,-0.9 -2,-0.2 2,-0.1 -1,-0.2 0.155 95.9-112.1-140.3 14.2 24.9 44.5 12.3 27 54 A N T <5 + 0 0 92 -4,-1.5 -3,-0.2 1,-0.2 2,-0.0 0.633 64.8 153.2 57.9 17.9 27.8 42.1 11.6 28 55 A S E < -B 23 0A 51 -5,-0.6 -5,-3.0 -6,-0.1 2,-0.3 -0.342 28.3-150.5 -70.9 158.9 30.2 44.7 13.0 29 56 A Q E -B 22 0A 88 -7,-0.2 2,-0.5 -3,-0.1 -7,-0.2 -0.929 21.1-152.4-137.2 158.1 33.5 43.3 14.5 30 57 A I E -B 21 0A 36 -9,-2.1 -9,-2.6 -2,-0.3 2,-0.4 -0.992 28.6-174.1-127.5 117.5 36.1 44.0 17.2 31 59 A L E +B 20 0A 58 -2,-0.5 2,-0.3 -11,-0.2 -11,-0.2 -0.933 20.6 174.6-124.6 139.2 39.5 42.5 16.3 32 60 A Y E S-B 19 0A 19 -13,-2.6 -13,-2.8 -2,-0.4 -2,-0.0 -0.888 86.9 -26.4-138.7 107.5 42.8 42.1 18.1 33 61 A R S > S+ 0 0 102 -2,-0.3 3,-1.6 -15,-0.2 -13,-0.1 0.838 89.9 153.9 54.8 31.2 45.6 40.1 16.3 34 62 A A T 3 + 0 0 5 1,-0.3 122,-2.1 -15,-0.2 123,-0.5 0.634 64.1 52.4 -66.6 -17.4 42.5 38.4 14.7 35 63 A D T 3 S+ 0 0 123 119,-0.1 2,-0.3 120,-0.1 -1,-0.3 0.241 89.8 99.6-103.8 13.6 44.5 37.4 11.6 36 64 A E S < S- 0 0 65 -3,-1.6 2,-0.2 1,-0.0 120,-0.1 -0.768 75.7-113.7-100.0 146.4 47.4 35.7 13.5 37 65 A R + 0 0 99 -2,-0.3 2,-0.3 117,-0.2 117,-0.2 -0.547 34.5 176.5 -83.2 143.8 47.6 32.0 14.0 38 66 A F E -E 153 0B 3 115,-2.2 115,-1.4 -2,-0.2 2,-0.4 -0.969 40.5 -98.2-140.1 151.4 47.2 30.3 17.4 39 67 A A E -E 152 0B 17 -2,-0.3 113,-0.3 113,-0.2 112,-0.1 -0.608 30.4-153.1 -71.9 125.8 47.2 26.7 18.5 40 68 A M > + 0 0 0 111,-2.3 3,-1.7 -2,-0.4 -1,-0.2 0.834 23.6 178.5 -69.9 -34.2 43.5 25.8 18.8 41 69 A C G > - 0 0 0 110,-0.6 3,-1.8 100,-0.5 -1,-0.2 -0.360 69.0 -11.3 60.6-141.4 44.1 23.1 21.4 42 70 A S G > S+ 0 0 7 1,-0.3 3,-1.6 2,-0.2 -1,-0.3 0.576 121.4 81.2 -68.1 -7.1 40.8 21.5 22.6 43 71 A T G X S+ 0 0 0 -3,-1.7 3,-1.0 1,-0.3 4,-0.3 0.698 78.5 73.0 -70.7 -12.4 38.7 24.2 20.9 44 72 A S G X> S+ 0 0 1 -3,-1.8 4,-1.1 1,-0.2 3,-0.7 0.621 75.1 81.7 -73.1 -12.1 39.3 22.2 17.7 45 73 A K H <> S+ 0 0 2 -3,-1.6 4,-2.7 1,-0.2 5,-0.2 0.795 79.3 65.8 -63.9 -28.3 36.8 19.6 19.1 46 74 A V H <> S+ 0 0 5 -3,-1.0 4,-2.3 -4,-0.2 -1,-0.2 0.874 100.9 49.6 -61.5 -37.6 33.9 21.7 17.9 47 75 A M H <> S+ 0 0 4 -3,-0.7 4,-1.4 -4,-0.3 -1,-0.2 0.855 111.2 49.1 -70.3 -35.5 34.9 21.1 14.3 48 76 A A H X S+ 0 0 0 -4,-1.1 4,-1.4 2,-0.2 -2,-0.2 0.929 113.4 45.4 -69.1 -46.2 35.2 17.3 14.9 49 77 A A H X S+ 0 0 2 -4,-2.7 4,-1.9 1,-0.2 3,-0.3 0.923 113.1 50.8 -62.1 -44.8 31.8 17.1 16.6 50 78 A A H X S+ 0 0 0 -4,-2.3 4,-2.1 -5,-0.2 -1,-0.2 0.817 104.4 58.6 -62.9 -32.1 30.2 19.2 13.8 51 79 A A H X S+ 0 0 5 -4,-1.4 4,-1.3 1,-0.2 -1,-0.2 0.884 107.0 46.7 -65.8 -38.5 31.8 17.0 11.2 52 80 A V H X S+ 0 0 7 -4,-1.4 4,-2.0 -3,-0.3 -2,-0.2 0.880 109.4 54.5 -71.3 -36.3 29.9 14.0 12.6 53 81 A L H X S+ 0 0 1 -4,-1.9 4,-0.6 1,-0.2 -2,-0.2 0.896 104.1 55.1 -64.5 -37.9 26.7 16.0 12.8 54 82 A K H >< S+ 0 0 69 -4,-2.1 3,-0.8 1,-0.2 -1,-0.2 0.890 108.5 48.5 -61.8 -38.6 27.0 16.8 9.1 55 83 A Q H >< S+ 0 0 81 -4,-1.3 3,-2.3 1,-0.2 -1,-0.2 0.881 102.4 61.9 -67.6 -38.4 27.2 13.1 8.3 56 84 A S H >< S+ 0 0 13 -4,-2.0 3,-0.6 1,-0.3 -1,-0.2 0.661 88.0 73.2 -63.1 -15.0 24.2 12.4 10.5 57 85 A E T << S+ 0 0 67 -3,-0.8 -1,-0.3 -4,-0.6 -2,-0.2 0.683 108.4 33.2 -70.3 -17.9 22.2 14.6 8.1 58 86 A S T < S+ 0 0 117 -3,-2.3 -1,-0.2 1,-0.2 2,-0.2 0.206 120.8 50.8-121.0 9.7 22.5 11.7 5.6 59 87 A D X - 0 0 61 -3,-0.6 3,-0.9 -4,-0.2 4,-0.5 -0.724 55.7-170.4-153.4 96.9 22.4 8.8 8.0 60 88 A K T 3 S+ 0 0 177 1,-0.2 4,-0.1 -2,-0.2 -4,-0.1 0.519 90.3 55.3 -65.7 -4.1 19.7 8.6 10.6 61 89 A H T >> S+ 0 0 117 2,-0.1 3,-0.9 1,-0.1 4,-0.6 0.725 84.7 83.9 -99.6 -26.6 21.6 5.7 12.2 62 90 A L G X4 S+ 0 0 8 -3,-0.9 3,-2.2 1,-0.2 29,-0.5 0.883 83.5 52.5 -44.0 -65.0 24.9 7.4 12.8 63 91 A L G 34 S+ 0 0 36 -4,-0.5 29,-2.2 1,-0.3 30,-0.3 0.741 113.0 44.4 -50.2 -30.7 24.4 9.3 16.1 64 92 A N G <4 S+ 0 0 122 -3,-0.9 -1,-0.3 27,-0.2 -2,-0.2 0.465 86.0 119.4 -95.7 -0.5 23.2 6.2 18.0 65 93 A Q << - 0 0 90 -3,-2.2 26,-1.4 -4,-0.6 2,-0.3 -0.227 61.8-121.7 -59.8 155.3 25.9 3.9 16.6 66 94 A R E -F 90 0C 181 24,-0.2 2,-0.4 25,-0.1 24,-0.2 -0.787 24.0-173.0-110.4 149.5 28.1 2.4 19.2 67 95 A V E -F 89 0C 26 22,-1.6 22,-2.9 -2,-0.3 2,-0.4 -0.987 27.3-123.5-132.9 138.7 31.9 2.4 19.9 68 96 A E E -F 88 0C 141 -2,-0.4 2,-0.8 20,-0.3 20,-0.3 -0.726 15.1-140.9 -91.5 132.6 33.5 0.2 22.5 69 97 A I E -F 87 0C 1 18,-1.8 17,-3.0 15,-0.5 18,-0.5 -0.806 23.1-175.1 -96.4 104.1 35.6 1.9 25.2 70 98 A K > - 0 0 129 -2,-0.8 3,-0.6 15,-0.2 4,-0.4 -0.306 38.9-113.0 -87.1 174.7 38.7 -0.2 26.0 71 99 A K T 3 S+ 0 0 142 1,-0.2 3,-0.5 2,-0.2 -1,-0.1 0.722 116.6 62.8 -80.7 -20.8 41.2 0.6 28.8 72 100 A S T 3 S+ 0 0 99 1,-0.2 -1,-0.2 0, 0.0 -3,-0.0 0.460 91.8 65.3 -80.8 -4.2 43.8 1.3 26.0 73 101 A D S < S+ 0 0 42 -3,-0.6 -1,-0.2 8,-0.1 -2,-0.2 0.729 77.6 102.7 -88.3 -25.4 41.7 4.1 24.7 74 102 A L + 0 0 42 -3,-0.5 2,-0.1 -4,-0.4 4,-0.1 -0.377 47.5 169.6 -63.0 129.2 42.2 6.2 27.8 75 103 A V - 0 0 58 -2,-0.1 3,-0.2 2,-0.1 -1,-0.1 0.043 56.5 -47.7-112.3-136.4 44.8 9.0 27.4 76 104 A N S S+ 0 0 104 1,-0.2 2,-0.3 -2,-0.1 -2,-0.1 0.773 125.0 18.8 -76.3 -27.2 45.8 11.9 29.6 77 105 A Y + 0 0 108 1,-0.0 27,-2.2 2,-0.0 28,-0.7 -0.909 62.7 135.0-150.9 119.3 42.3 13.1 30.3 78 106 A N > + 0 0 16 -2,-0.3 4,-1.6 25,-0.2 5,-0.2 -0.327 10.1 165.3-163.0 67.6 39.0 11.2 29.9 79 107 A P T 4 S+ 0 0 26 0, 0.0 4,-0.3 0, 0.0 23,-0.0 0.689 84.9 34.1 -61.2 -23.9 36.6 11.8 33.0 80 108 A I T 4 S+ 0 0 30 2,-0.1 3,-0.5 3,-0.1 4,-0.2 0.835 114.1 52.9-101.2 -43.4 33.6 10.4 31.1 81 109 A A T >4 S+ 0 0 0 1,-0.2 3,-1.2 2,-0.2 -7,-0.1 0.764 102.2 63.2 -64.0 -25.4 35.0 7.7 28.9 82 110 A E G >< S+ 0 0 94 -4,-1.6 3,-1.7 1,-0.3 -1,-0.2 0.915 93.2 61.1 -64.9 -43.0 36.7 6.1 31.9 83 111 A K G 3 S+ 0 0 147 -3,-0.5 -1,-0.3 -4,-0.3 -2,-0.2 0.539 107.0 49.4 -61.1 -6.3 33.3 5.4 33.4 84 112 A H G X S+ 0 0 70 -3,-1.2 3,-1.9 -4,-0.2 -15,-0.5 0.045 70.7 142.5-125.0 27.1 32.6 3.3 30.4 85 113 A V T < S+ 0 0 25 -3,-1.7 -15,-0.2 1,-0.3 3,-0.1 -0.559 79.8 17.8 -71.4 131.3 35.6 1.0 30.1 86 114 A N T 3 S+ 0 0 156 -17,-3.0 -1,-0.3 1,-0.4 -16,-0.1 0.391 122.5 75.9 85.1 1.8 34.5 -2.5 28.9 87 115 A G E < S-F 69 0C 31 -3,-1.9 -18,-1.8 -18,-0.5 -1,-0.4 -0.266 81.1-103.1-118.8-154.7 31.2 -0.9 27.8 88 116 A T E -F 68 0C 48 -20,-0.3 2,-0.4 -2,-0.1 -20,-0.3 -0.906 15.6-154.5-136.8 165.1 30.2 1.2 24.8 89 117 A M E -F 67 0C 2 -22,-2.9 -22,-1.6 -2,-0.3 2,-0.1 -0.997 20.3-126.8-141.3 135.0 29.4 4.8 23.9 90 118 A T E > -F 66 0C 16 -2,-0.4 4,-2.1 -24,-0.2 -24,-0.2 -0.391 29.7-111.1 -76.9 159.3 27.3 6.2 21.1 91 119 A L H > S+ 0 0 3 -26,-1.4 4,-2.0 -29,-0.5 -27,-0.2 0.855 121.8 53.6 -57.8 -33.8 28.7 8.8 18.7 92 120 A A H > S+ 0 0 21 -29,-2.2 4,-2.3 -27,-0.2 -1,-0.2 0.944 108.1 48.0 -65.6 -48.4 26.2 11.2 20.3 93 121 A E H > S+ 0 0 93 -30,-0.3 4,-2.2 1,-0.2 -2,-0.2 0.812 111.3 51.6 -62.2 -31.3 27.5 10.5 23.8 94 122 A L H X S+ 0 0 0 -4,-2.1 4,-2.6 2,-0.2 -1,-0.2 0.874 107.7 51.9 -72.4 -38.1 31.1 10.9 22.6 95 123 A G H X S+ 0 0 1 -4,-2.0 4,-1.9 -5,-0.2 5,-0.2 0.913 111.2 48.6 -62.9 -41.3 30.2 14.2 21.1 96 124 A A H X S+ 0 0 23 -4,-2.3 4,-3.0 2,-0.2 5,-0.4 0.924 113.1 45.4 -63.9 -48.8 28.7 15.3 24.5 97 125 A A H X S+ 0 0 3 -4,-2.2 4,-1.7 1,-0.2 6,-1.6 0.928 111.7 52.2 -62.2 -47.3 31.8 14.1 26.5 98 126 A A H < S+ 0 0 0 -4,-2.6 4,-0.2 4,-0.3 -1,-0.2 0.890 121.3 31.7 -57.2 -41.8 34.3 15.7 24.1 99 127 A L H < S+ 0 0 1 -4,-1.9 108,-0.2 -5,-0.2 -2,-0.2 0.904 124.5 38.1 -86.9 -44.2 32.5 19.1 24.2 100 128 A Q H < S+ 0 0 37 -4,-3.0 87,-1.9 -5,-0.2 88,-0.3 0.676 135.8 19.1 -84.2 -19.3 31.0 19.4 27.7 101 129 A Y S < S- 0 0 93 -4,-1.7 -3,-0.2 -5,-0.4 -1,-0.2 0.365 97.7-124.9-127.0 -0.3 33.8 17.7 29.7 102 130 A S - 0 0 16 -5,-0.5 2,-0.5 -6,-0.3 -4,-0.3 0.905 38.8-174.9 52.3 47.2 36.6 18.1 27.1 103 131 A D > - 0 0 0 -6,-1.6 4,-1.5 1,-0.2 -25,-0.2 -0.628 15.8-158.0 -73.8 117.7 37.2 14.3 27.2 104 132 A N H > S+ 0 0 9 -27,-2.2 4,-2.1 -2,-0.5 34,-0.3 0.824 90.5 54.8 -70.3 -32.3 40.2 13.6 25.0 105 133 A T H > S+ 0 0 2 -28,-0.7 4,-2.1 1,-0.2 -1,-0.2 0.939 107.0 52.9 -64.5 -43.6 39.4 9.9 24.5 106 134 A A H > S+ 0 0 0 1,-0.2 4,-1.9 2,-0.2 -2,-0.2 0.887 107.4 51.5 -56.5 -43.4 36.0 11.1 23.2 107 135 A M H X S+ 0 0 0 -4,-1.5 4,-2.3 1,-0.2 -1,-0.2 0.947 108.6 51.0 -60.1 -49.4 37.7 13.4 20.7 108 136 A N H X S+ 0 0 31 -4,-2.1 4,-3.0 1,-0.2 -2,-0.2 0.861 106.4 53.3 -58.5 -40.2 39.9 10.7 19.4 109 137 A K H X S+ 0 0 30 -4,-2.1 4,-3.2 2,-0.2 -1,-0.2 0.953 109.5 49.9 -60.9 -45.4 37.1 8.3 18.7 110 138 A L H X S+ 0 0 1 -4,-1.9 4,-1.8 1,-0.2 -2,-0.2 0.911 112.1 46.9 -59.0 -43.4 35.3 11.1 16.7 111 139 A I H X>S+ 0 0 4 -4,-2.3 5,-2.8 2,-0.2 4,-1.0 0.924 112.7 50.7 -63.5 -44.0 38.5 11.7 14.7 112 140 A A H ><5S+ 0 0 68 -4,-3.0 3,-1.2 1,-0.2 -2,-0.2 0.953 109.1 49.9 -57.7 -53.1 38.9 7.9 14.2 113 141 A H H 3<5S+ 0 0 61 -4,-3.2 -1,-0.2 1,-0.3 -2,-0.2 0.843 110.2 51.1 -56.0 -36.3 35.3 7.5 13.0 114 142 A L H 3<5S- 0 0 19 -4,-1.8 -1,-0.3 -5,-0.2 -2,-0.2 0.661 122.3-106.3 -76.4 -17.0 35.8 10.4 10.5 115 143 A G T <<5S- 0 0 49 -3,-1.2 -3,-0.2 -4,-1.0 3,-0.2 0.688 71.2 -44.2 100.6 20.2 38.9 8.8 9.2 116 144 A G S >> S+ 0 0 23 0, 0.0 4,-1.7 0, 0.0 3,-0.4 0.802 123.6 64.1 -50.0 -38.7 42.6 14.7 11.3 118 146 A D H 3> S+ 0 0 95 1,-0.2 4,-1.7 2,-0.2 -2,-0.1 0.802 98.8 55.1 -60.2 -28.7 42.9 15.4 7.6 119 147 A K H <> S+ 0 0 90 -3,-1.8 4,-2.0 2,-0.2 -1,-0.2 0.856 103.6 53.3 -74.0 -35.3 39.1 14.6 7.2 120 148 A V H X S+ 0 0 0 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