==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 10-JAN-97 1XPB . COMPND 2 MOLECULE: BETA-LACTAMASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR E.FONZE,P.CHARLIER . 263 1 1 1 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11205.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 185 70.3 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 . 38 14.4 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 . 3 1.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 31 11.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 91 34.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 2.7 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 1 0 0 0 0 0 2 1 1 1 2 0 0 1 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 1 0 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 26 A H >> 0 0 93 0, 0.0 3,-1.6 0, 0.0 4,-0.9 0.000 360.0 360.0 360.0 146.5 18.2 1.9 35.9 2 27 A P H 3> + 0 0 84 0, 0.0 4,-1.7 0, 0.0 5,-0.1 0.780 360.0 68.4 -61.9 -25.9 14.6 1.9 37.3 3 28 A E H 3> S+ 0 0 98 1,-0.2 4,-1.6 2,-0.2 5,-0.1 0.795 95.1 55.7 -61.6 -28.9 14.5 5.7 37.3 4 29 A T H <> S+ 0 0 0 -3,-1.6 4,-2.6 2,-0.2 -1,-0.2 0.895 103.7 54.4 -67.6 -34.0 14.6 5.6 33.5 5 30 A L H X S+ 0 0 37 -4,-0.9 4,-2.7 1,-0.2 5,-0.2 0.893 102.3 56.7 -68.9 -34.2 11.5 3.4 33.7 6 31 A V H X S+ 0 0 87 -4,-1.7 4,-2.5 2,-0.2 -1,-0.2 0.951 109.2 47.1 -55.1 -48.6 9.8 6.1 35.8 7 32 A K H X S+ 0 0 28 -4,-1.6 4,-2.6 2,-0.2 -2,-0.2 0.917 110.1 51.5 -66.5 -35.3 10.5 8.5 32.8 8 33 A V H X S+ 0 0 0 -4,-2.6 4,-2.3 2,-0.2 -1,-0.2 0.947 111.8 47.0 -64.5 -43.3 9.2 6.1 30.2 9 34 A K H X S+ 0 0 106 -4,-2.7 4,-2.3 1,-0.2 -2,-0.2 0.951 111.1 51.7 -63.4 -42.0 5.9 5.7 32.2 10 35 A D H X S+ 0 0 59 -4,-2.5 4,-2.9 1,-0.2 -2,-0.2 0.922 108.1 52.3 -62.0 -36.5 5.7 9.4 32.6 11 36 A A H X S+ 0 0 0 -4,-2.6 4,-3.0 2,-0.2 5,-0.3 0.908 106.2 53.4 -66.2 -38.6 6.1 9.8 28.8 12 37 A E H X>S+ 0 0 28 -4,-2.3 5,-1.4 1,-0.2 4,-1.2 0.916 112.3 46.4 -59.9 -41.1 3.3 7.3 28.3 13 38 A D H <5S+ 0 0 91 -4,-2.3 3,-0.3 2,-0.2 -2,-0.2 0.939 114.2 45.2 -63.7 -49.7 1.2 9.5 30.5 14 39 A Q H <5S+ 0 0 110 -4,-2.9 -2,-0.2 1,-0.2 -1,-0.2 0.875 122.2 37.2 -69.7 -32.6 2.2 12.8 28.8 15 40 A L H <5S- 0 0 12 -4,-3.0 227,-0.5 -5,-0.2 228,-0.4 0.632 98.0-134.6 -92.0 -12.0 1.7 11.4 25.3 16 41 A G T <5S+ 0 0 62 -4,-1.2 2,-0.3 -5,-0.3 -3,-0.2 0.928 71.2 96.7 57.2 47.0 -1.3 9.3 26.1 17 42 A A S -A 232 0A 32 5,-2.9 4,-2.1 -2,-0.4 207,-0.3 -0.562 21.9-147.1 -69.3 127.4 24.4 -4.2 26.5 26 51 A L T 4 S+ 0 0 16 205,-2.5 -1,-0.1 -2,-0.3 206,-0.1 0.864 90.2 44.9 -71.7 -34.5 26.2 -4.3 23.2 27 51AA N T 4 S+ 0 0 146 204,-0.5 -1,-0.2 1,-0.1 205,-0.1 0.943 126.8 24.0 -72.7 -48.9 28.9 -6.7 24.2 28 52 A S T 4 S- 0 0 61 2,-0.1 -2,-0.2 1,-0.0 -1,-0.1 0.593 92.7-126.1 -98.7 -15.9 26.9 -9.3 26.0 29 53 A G < + 0 0 25 -4,-2.1 -3,-0.1 1,-0.3 2,-0.1 0.397 55.3 156.1 81.7 -0.3 23.4 -8.9 24.5 30 54 A K - 0 0 113 -6,-0.1 -5,-2.9 1,-0.1 2,-0.6 -0.326 45.7-128.3 -62.7 131.4 22.1 -8.6 28.1 31 55 A I E -B 24 0A 91 -7,-0.2 -7,-0.2 1,-0.2 3,-0.1 -0.715 28.0-179.5 -81.9 117.4 18.8 -6.7 28.4 32 56 A L E - 0 0 52 -9,-3.0 2,-0.3 -2,-0.6 -1,-0.2 0.826 65.3 -3.9 -87.9 -34.7 19.5 -4.0 31.0 33 58 A E E +B 23 0A 38 -10,-1.3 -10,-2.4 -29,-0.0 -1,-0.4 -0.971 66.5 179.2-158.0 142.7 16.1 -2.4 31.1 34 59 A S E -B 22 0A 45 -2,-0.3 2,-0.3 -12,-0.2 -12,-0.2 -0.986 15.6-172.7-149.0 156.0 12.8 -2.8 29.2 35 60 A F E S-B 21 0A 44 -14,-2.7 -14,-3.0 -2,-0.3 -2,-0.0 -0.900 87.5 -12.6-149.4 120.9 9.3 -1.5 29.0 36 61 A R S > S+ 0 0 75 -2,-0.3 3,-1.5 -16,-0.2 123,-0.1 0.888 80.6 169.2 53.7 47.3 6.8 -3.3 26.6 37 62 A P T 3 S+ 0 0 36 0, 0.0 122,-2.6 0, 0.0 123,-0.5 0.776 70.8 38.2 -62.5 -27.3 9.8 -5.2 25.1 38 63 A E T 3 S+ 0 0 146 120,-0.2 2,-0.4 119,-0.1 -2,-0.1 -0.002 87.6 106.6-120.4 30.7 7.6 -7.6 23.2 39 64 A E S < S- 0 0 65 -3,-1.5 2,-0.2 1,-0.0 120,-0.1 -0.844 73.9-111.4 -97.8 145.8 4.7 -5.5 22.0 40 65 A R + 0 0 53 -2,-0.4 117,-0.2 117,-0.2 110,-0.1 -0.523 36.3 177.4 -79.6 144.2 4.7 -4.6 18.3 41 66 A F E -E 156 0B 1 115,-2.5 115,-2.0 -2,-0.2 2,-0.1 -0.981 38.7 -95.7-137.6 145.8 5.3 -1.1 17.1 42 67 A P E -E 155 0B 12 0, 0.0 113,-0.3 0, 0.0 196,-0.1 -0.430 27.1-149.1 -60.1 136.2 5.5 0.3 13.5 43 68 A M > + 0 0 2 111,-2.4 3,-1.7 101,-0.2 112,-0.1 0.856 27.3 173.5 -74.7 -37.7 9.1 0.5 12.4 44 69 A M G > S- 0 0 1 110,-0.5 3,-1.8 100,-0.4 4,-0.2 -0.267 71.9 -15.0 54.9-144.8 8.7 3.5 10.1 45 70 A S G > S+ 0 0 7 167,-0.3 3,-2.1 1,-0.3 4,-0.4 0.586 119.6 85.3 -63.7 -6.5 12.1 4.7 8.8 46 71 A T G X> S+ 0 0 0 -3,-1.7 3,-1.1 1,-0.3 4,-0.7 0.808 79.3 69.5 -68.8 -17.5 14.1 2.6 11.4 47 72 A F H <> S+ 0 0 0 -3,-1.8 4,-2.3 1,-0.2 -1,-0.3 0.765 79.5 77.2 -66.3 -21.9 13.8 -0.2 8.9 48 73 A K H <> S+ 0 0 0 -3,-2.1 4,-2.2 1,-0.2 -1,-0.2 0.835 89.2 55.4 -68.2 -21.2 16.1 1.6 6.5 49 74 A V H <> S+ 0 0 0 -3,-1.1 4,-1.9 -4,-0.4 -1,-0.2 0.936 109.4 47.0 -65.7 -45.6 19.1 0.5 8.6 50 75 A L H X S+ 0 0 0 -4,-0.7 4,-2.1 -3,-0.2 -2,-0.2 0.894 109.7 54.5 -61.1 -43.1 18.0 -3.1 8.2 51 76 A L H X S+ 0 0 0 -4,-2.3 4,-2.4 2,-0.2 -1,-0.2 0.919 109.4 45.2 -57.9 -50.9 17.5 -2.5 4.5 52 77 A a H X S+ 0 0 0 -4,-2.2 4,-2.7 2,-0.2 -1,-0.2 0.821 108.5 58.7 -70.1 -22.2 21.1 -1.2 4.0 53 78 A G H X S+ 0 0 0 -4,-1.9 4,-2.3 2,-0.2 -2,-0.2 0.924 107.9 46.5 -63.3 -44.2 22.3 -4.2 6.2 54 79 A A H X S+ 0 0 4 -4,-2.1 4,-1.8 2,-0.2 -2,-0.2 0.917 112.2 50.8 -64.2 -42.3 20.6 -6.5 3.6 55 80 A V H X S+ 0 0 0 -4,-2.4 4,-2.4 1,-0.2 -2,-0.2 0.954 109.8 49.7 -60.4 -46.1 22.3 -4.5 0.8 56 81 A L H X S+ 0 0 1 -4,-2.7 4,-2.9 1,-0.2 -2,-0.2 0.881 105.2 56.6 -65.5 -35.1 25.7 -4.8 2.4 57 82 A S H X S+ 0 0 24 -4,-2.3 4,-2.3 1,-0.2 -1,-0.2 0.929 108.4 48.1 -65.5 -34.3 25.3 -8.5 2.8 58 83 A R H <>S+ 0 0 53 -4,-1.8 5,-2.4 2,-0.2 6,-0.9 0.936 110.0 51.9 -65.8 -42.3 24.8 -8.7 -1.0 59 84 A V H ><5S+ 0 0 32 -4,-2.4 3,-1.9 4,-0.2 -2,-0.2 0.958 110.0 49.9 -57.0 -48.0 27.8 -6.5 -1.5 60 85 A D H 3<5S+ 0 0 59 -4,-2.9 -2,-0.2 1,-0.3 -1,-0.2 0.892 109.3 51.3 -57.9 -41.3 29.8 -8.9 0.7 61 86 A A T 3<5S- 0 0 65 -4,-2.3 -1,-0.3 -5,-0.2 -2,-0.2 0.371 116.5-113.1 -76.7 4.3 28.6 -11.9 -1.3 62 87 A G T < 5S+ 0 0 68 -3,-1.9 -3,-0.2 -4,-0.2 -2,-0.1 0.632 91.1 111.2 72.8 11.6 29.7 -10.3 -4.6 63 88 A Q S - 0 0 145 -2,-0.3 3,-1.4 1,-0.1 29,-0.4 -0.998 13.9-140.4-131.6 137.5 28.4 -3.3 -5.7 66 91 A L T 3 S+ 0 0 23 -2,-0.4 29,-2.4 1,-0.3 30,-0.3 0.824 103.4 53.8 -64.2 -31.0 28.4 -0.1 -3.8 67 92 A G T 3 S+ 0 0 52 27,-0.2 -1,-0.3 26,-0.2 2,-0.1 0.518 78.0 121.2 -83.9 -3.6 29.4 1.9 -6.9 68 93 A R < - 0 0 108 -3,-1.4 26,-1.9 25,-0.1 2,-0.5 -0.385 60.4-134.8 -64.6 133.0 26.6 0.6 -9.1 69 94 A R E -F 93 0C 112 24,-0.3 2,-0.5 25,-0.1 24,-0.3 -0.789 13.0-156.5 -96.7 131.3 24.5 3.6 -10.3 70 95 A I E -F 92 0C 16 22,-3.2 22,-1.9 -2,-0.5 2,-0.3 -0.886 5.2-158.4-105.4 127.2 20.8 3.3 -10.2 71 96 A H + 0 0 130 -2,-0.5 2,-0.3 20,-0.2 17,-0.1 -0.794 20.7 162.2-101.6 153.0 18.9 5.5 -12.6 72 97 A Y - 0 0 21 16,-0.4 2,-0.3 -2,-0.3 19,-0.1 -0.899 23.1-134.8-154.7-178.5 15.2 6.3 -11.7 73 98 A S > - 0 0 46 -2,-0.3 3,-2.1 1,-0.0 4,-0.4 -0.817 38.1 -83.9-140.7-179.1 12.8 9.0 -12.9 74 99 A Q G > S+ 0 0 149 1,-0.3 3,-1.2 -2,-0.3 -1,-0.0 0.789 120.0 70.7 -59.7 -26.5 10.3 11.5 -11.6 75 100 A N G 3 S+ 0 0 154 1,-0.3 -1,-0.3 3,-0.0 -3,-0.0 0.734 96.6 52.0 -63.0 -23.8 7.7 8.6 -11.6 76 101 A D G < S+ 0 0 69 -3,-2.1 -1,-0.3 2,-0.1 2,-0.2 0.646 82.2 110.4 -86.3 -17.4 9.6 7.0 -8.7 77 102 A L < + 0 0 48 -3,-1.2 2,-0.2 -4,-0.4 3,-0.1 -0.401 43.8 179.6 -67.6 122.7 9.7 10.0 -6.4 78 103 A V - 0 0 41 -2,-0.2 30,-0.3 1,-0.2 29,-0.1 -0.714 43.6 -58.4-113.0 174.7 7.5 9.7 -3.4 79 104 A E S S+ 0 0 135 -2,-0.2 28,-0.2 1,-0.2 -1,-0.2 -0.203 116.7 22.8 -53.5 143.0 6.9 12.2 -0.5 80 105 A Y S S+ 0 0 112 1,-0.1 27,-2.8 27,-0.1 28,-0.2 0.991 70.4 144.2 58.7 73.0 10.0 13.3 1.5 81 106 A S > + 0 0 5 25,-0.2 4,-2.0 26,-0.2 5,-0.3 -0.438 9.7 160.2-129.9 60.8 12.8 12.6 -1.0 82 107 A P T 4 S+ 0 0 31 0, 0.0 4,-0.4 0, 0.0 -1,-0.1 0.806 78.4 32.0 -58.2 -34.7 15.2 15.5 -0.2 83 108 A V T >4 S+ 0 0 31 2,-0.1 3,-0.6 -3,-0.1 4,-0.1 0.906 116.8 51.1 -92.3 -44.3 18.2 13.8 -1.8 84 109 A T G >4 S+ 0 0 0 1,-0.2 3,-1.7 2,-0.2 7,-0.1 0.839 102.7 61.0 -69.4 -27.4 16.8 11.7 -4.7 85 110 A E G >< S+ 0 0 109 -4,-2.0 3,-0.8 1,-0.3 -1,-0.2 0.878 102.2 54.1 -63.4 -31.9 14.8 14.6 -6.1 86 111 A K G < S+ 0 0 153 -3,-0.6 -1,-0.3 -4,-0.4 -2,-0.2 0.347 108.1 49.1 -82.2 1.9 18.1 16.5 -6.7 87 112 A H G <> + 0 0 58 -3,-1.7 4,-2.5 -4,-0.1 -1,-0.2 0.121 65.7 121.5-132.6 26.2 19.7 13.7 -8.7 88 113 A L T <4 S+ 0 0 47 -3,-0.8 -16,-0.4 1,-0.2 -2,-0.1 0.900 74.6 53.2 -57.5 -39.6 17.1 12.8 -11.2 89 114 A T T 4 S+ 0 0 129 1,-0.2 -1,-0.2 -18,-0.1 -2,-0.1 0.920 123.5 20.5 -68.7 -45.9 19.4 13.5 -14.2 90 115 A D T 4 S- 0 0 111 1,-0.2 -1,-0.2 -19,-0.1 -2,-0.2 0.583 95.5-137.7-105.1 -6.2 22.3 11.3 -13.2 91 116 A G < - 0 0 1 -4,-2.5 2,-0.3 -7,-0.1 -1,-0.2 -0.302 21.2 -97.2 79.4-171.3 21.0 8.8 -10.8 92 117 A M E -F 70 0C 2 -22,-1.9 -22,-3.2 -4,-0.1 2,-0.1 -0.985 26.3-111.6-147.6 153.6 22.8 7.8 -7.6 93 118 A T E > -F 69 0C 17 -2,-0.3 4,-2.3 -24,-0.3 -24,-0.3 -0.438 35.1-106.4 -85.1 165.8 25.0 4.9 -6.6 94 119 A V H > S+ 0 0 0 -26,-1.9 4,-2.6 -29,-0.4 5,-0.2 0.920 124.3 53.3 -53.3 -42.4 23.9 2.1 -4.1 95 120 A R H > S+ 0 0 107 -29,-2.4 4,-2.5 1,-0.2 -1,-0.2 0.928 108.9 47.7 -60.2 -48.7 26.3 3.8 -1.6 96 121 A E H > S+ 0 0 67 -30,-0.3 4,-2.5 2,-0.2 -1,-0.2 0.861 110.6 51.9 -62.1 -35.0 24.6 7.2 -2.2 97 122 A L H X S+ 0 0 0 -4,-2.3 4,-2.6 2,-0.2 -2,-0.2 0.929 110.2 47.3 -71.5 -40.5 21.1 5.7 -1.8 98 123 A a H X S+ 0 0 0 -4,-2.6 4,-2.5 2,-0.2 5,-0.3 0.932 112.4 50.5 -66.9 -40.7 22.0 4.0 1.5 99 124 A S H X>S+ 0 0 42 -4,-2.5 4,-2.5 -5,-0.2 5,-0.6 0.947 114.1 45.2 -60.8 -40.3 23.6 7.3 2.8 100 125 A A H X5S+ 0 0 2 -4,-2.5 6,-2.0 1,-0.2 4,-1.4 0.901 113.2 49.1 -69.7 -38.7 20.4 9.2 1.8 101 126 A A H <5S+ 0 0 0 -4,-2.6 4,-0.4 4,-0.3 -1,-0.2 0.906 123.2 31.4 -69.7 -40.2 18.0 6.6 3.2 102 127 A I H <5S+ 0 0 0 -4,-2.5 108,-0.2 -5,-0.2 -2,-0.2 0.966 126.4 38.0 -80.3 -53.3 19.8 6.5 6.6 103 128 A T H <5S+ 0 0 8 -4,-2.5 87,-2.3 -5,-0.3 88,-0.5 0.806 136.2 18.9 -66.0 -38.1 21.2 10.1 7.0 104 129 A M S < - 0 0 0 -6,-2.0 4,-1.5 1,-0.2 -25,-0.2 -0.396 16.1-156.3 -62.5 124.0 14.9 9.7 2.0 107 132 A N H > S+ 0 0 11 -27,-2.8 4,-2.0 -2,-0.3 34,-0.2 0.885 87.0 51.7 -73.9 -42.1 11.9 7.7 1.1 108 133 A T H > S+ 0 0 0 -30,-0.3 4,-2.7 -28,-0.2 5,-0.3 0.927 106.1 56.5 -61.9 -40.6 12.5 7.1 -2.7 109 134 A A H > S+ 0 0 0 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.932 107.1 50.1 -57.3 -42.9 16.1 5.9 -1.9 110 135 A A H X S+ 0 0 0 -4,-1.5 4,-2.8 1,-0.2 -1,-0.2 0.927 110.7 48.6 -62.0 -44.0 14.6 3.2 0.3 111 136 A N H X S+ 0 0 21 -4,-2.0 4,-2.2 1,-0.2 -1,-0.2 0.894 111.6 49.8 -63.4 -38.5 12.1 2.2 -2.4 112 137 A L H X S+ 0 0 15 -4,-2.7 4,-2.1 2,-0.2 -1,-0.2 0.910 113.0 45.9 -67.4 -42.1 14.9 2.0 -5.0 113 138 A L H X S+ 0 0 0 -4,-2.5 4,-1.7 -5,-0.3 -2,-0.2 0.907 108.9 55.9 -70.0 -37.6 17.0 -0.1 -2.7 114 139 A L H X>S+ 0 0 0 -4,-2.8 5,-3.2 -5,-0.2 4,-0.8 0.926 107.3 50.3 -58.8 -41.7 14.0 -2.4 -1.8 115 140 A T H ><5S+ 0 0 92 -4,-2.2 3,-1.8 1,-0.2 -2,-0.2 0.970 106.9 54.5 -58.8 -49.3 13.6 -3.0 -5.5 116 141 A T H 3<5S+ 0 0 29 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.789 112.3 45.3 -46.5 -38.8 17.3 -3.9 -5.8 117 142 A I H 3<5S- 0 0 17 -4,-1.7 -1,-0.3 -3,-0.2 -2,-0.2 0.553 124.7 -96.1 -88.6 -12.5 16.9 -6.5 -3.0 118 143 A G T <<5 - 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