==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=28-AUG-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 30-AUG-01 1JVJ . COMPND 2 MOLECULE: BETA-LACTAMASE TEM; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR X.WANG,G.MINASOV,B.K.SHOICHET . 263 1 1 1 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11302.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 184 70.0 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 . 4 1.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 30 11.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 90 34.2 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 0 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 96 0, 0.0 3,-1.8 0, 0.0 4,-0.8 0.000 360.0 360.0 360.0 139.2 3.1 1.5 8.4 2 27 A P H 3> + 0 0 82 0, 0.0 4,-1.4 0, 0.0 3,-0.2 0.766 360.0 71.3 -59.0 -24.1 6.8 1.6 7.2 3 28 A E H 3> S+ 0 0 103 1,-0.2 4,-1.3 2,-0.2 5,-0.1 0.819 95.4 53.9 -61.4 -28.1 6.7 5.4 7.1 4 29 A T H <> S+ 0 0 1 -3,-1.8 4,-2.3 1,-0.2 -1,-0.2 0.848 103.2 55.8 -74.4 -30.3 6.6 5.3 10.9 5 30 A L H X S+ 0 0 26 -4,-0.8 4,-2.6 2,-0.2 5,-0.3 0.828 100.4 59.8 -69.6 -27.0 9.8 3.1 10.8 6 31 A V H X S+ 0 0 91 -4,-1.4 4,-2.1 1,-0.2 -1,-0.2 0.952 109.1 43.4 -61.8 -46.5 11.4 5.9 8.8 7 32 A K H X S+ 0 0 28 -4,-1.3 4,-2.5 2,-0.2 -2,-0.2 0.883 112.3 52.7 -66.1 -39.8 10.8 8.2 11.8 8 33 A V H X S+ 0 0 0 -4,-2.3 4,-1.9 2,-0.2 -2,-0.2 0.938 112.7 42.8 -65.0 -44.0 11.9 5.6 14.4 9 34 A K H X S+ 0 0 109 -4,-2.6 4,-2.0 1,-0.2 -1,-0.2 0.890 112.8 54.3 -71.0 -31.2 15.2 5.0 12.6 10 35 A D H X S+ 0 0 62 -4,-2.1 4,-3.5 -5,-0.3 5,-0.2 0.901 105.0 55.1 -64.7 -39.7 15.6 8.8 12.1 11 36 A A H X S+ 0 0 1 -4,-2.5 4,-2.7 2,-0.2 6,-0.2 0.927 105.5 51.3 -59.7 -43.4 15.0 9.2 15.9 12 37 A E H X>S+ 0 0 33 -4,-1.9 4,-1.5 2,-0.2 5,-1.4 0.941 113.2 46.5 -57.4 -45.3 18.0 6.8 16.5 13 38 A D H ><5S+ 0 0 130 -4,-2.0 3,-0.5 1,-0.2 -2,-0.2 0.956 113.5 46.2 -62.1 -51.9 20.0 8.9 14.2 14 39 A Q H 3<5S+ 0 0 107 -4,-3.5 -1,-0.2 1,-0.2 -2,-0.2 0.842 120.6 40.0 -60.3 -35.3 19.0 12.2 15.7 15 40 A L H 3<5S- 0 0 16 -4,-2.7 227,-0.5 -5,-0.2 228,-0.4 0.543 96.9-134.5 -92.0 -9.8 19.6 10.9 19.3 16 41 A G T <<5S+ 0 0 64 -4,-1.5 2,-0.3 -3,-0.5 -3,-0.2 0.893 73.9 94.1 56.1 39.1 22.7 8.9 18.6 17 42 A A S -A 232 0A 41 5,-3.0 4,-2.2 -2,-0.4 207,-0.3 -0.675 24.4-149.1 -76.6 124.6 -3.2 -4.6 17.9 26 51 A L T 4 S+ 0 0 16 205,-2.3 -1,-0.2 -2,-0.5 206,-0.2 0.876 90.9 41.2 -63.3 -40.9 -5.0 -4.6 21.3 27 52 A N T 4 S+ 0 0 143 204,-0.5 -1,-0.2 1,-0.1 205,-0.1 0.937 128.2 26.4 -74.0 -49.1 -7.7 -7.0 20.3 28 53 A S T 4 S- 0 0 65 2,-0.1 -2,-0.2 1,-0.0 -1,-0.1 0.684 92.5-129.5 -90.8 -21.8 -5.7 -9.5 18.3 29 54 A G < + 0 0 25 -4,-2.2 2,-0.2 1,-0.3 -3,-0.1 0.520 52.6 156.2 83.2 4.4 -2.2 -9.2 19.8 30 55 A K - 0 0 128 -5,-0.1 -5,-3.0 -6,-0.1 2,-0.7 -0.449 46.3-127.2 -71.1 133.2 -0.8 -8.8 16.3 31 56 A I E -B 24 0A 81 -7,-0.2 -7,-0.2 -2,-0.2 3,-0.1 -0.723 28.3-179.0 -79.6 114.8 2.5 -7.0 16.0 32 57 A L E - 0 0 51 -9,-2.6 2,-0.3 -2,-0.7 -1,-0.2 0.822 64.7 -9.8 -84.8 -34.5 1.8 -4.3 13.4 33 58 A E E +B 23 0A 42 -10,-1.2 -10,-2.2 -29,-0.0 -1,-0.3 -0.976 68.7 174.6-161.5 150.8 5.2 -2.7 13.3 34 59 A S E -B 22 0A 41 -2,-0.3 2,-0.3 -12,-0.2 -12,-0.2 -0.996 20.4-163.6-161.3 160.7 8.4 -2.9 15.3 35 60 A F E S-B 21 0A 33 -14,-2.6 -14,-3.1 -2,-0.3 -2,-0.0 -0.937 87.0 -14.1-149.4 123.6 12.1 -2.0 15.7 36 61 A R S > S+ 0 0 76 -2,-0.3 3,-1.5 -16,-0.2 123,-0.1 0.876 80.1 166.2 48.3 44.1 14.5 -3.8 18.0 37 62 A P T 3 + 0 0 32 0, 0.0 122,-2.5 0, 0.0 123,-0.4 0.722 69.8 42.4 -59.7 -25.7 11.3 -5.5 19.5 38 63 A E T 3 S+ 0 0 148 120,-0.2 2,-0.3 119,-0.1 -2,-0.1 -0.025 89.0 102.4-116.1 31.7 13.4 -8.1 21.3 39 64 A E S < S- 0 0 64 -3,-1.5 2,-0.3 1,-0.0 120,-0.1 -0.817 74.7-109.6-107.3 152.1 16.3 -6.1 22.7 40 65 A R + 0 0 53 -2,-0.3 117,-0.2 117,-0.2 110,-0.1 -0.617 36.6 174.3 -86.8 143.5 16.4 -5.1 26.3 41 66 A F E -E 156 0B 1 115,-2.6 115,-2.2 -2,-0.3 2,-0.2 -0.976 41.5 -94.4-141.4 150.3 15.9 -1.6 27.5 42 67 A P E -E 155 0B 14 0, 0.0 113,-0.3 0, 0.0 196,-0.2 -0.480 27.9-149.0 -66.7 135.3 15.6 -0.2 31.1 43 68 A M > + 0 0 2 111,-2.3 3,-1.9 93,-0.2 112,-0.1 0.814 27.3 175.2 -73.2 -31.5 11.9 0.1 32.1 44 69 A M G > S- 0 0 0 110,-0.5 3,-1.9 100,-0.4 4,-0.2 -0.235 70.4 -13.2 53.7-146.3 12.4 3.1 34.4 45 70 A S G > S+ 0 0 12 1,-0.3 3,-1.9 2,-0.2 4,-0.3 0.566 119.1 85.1 -61.7 -11.4 9.0 4.3 35.7 46 71 A T G X> S+ 0 0 0 -3,-1.9 3,-1.2 1,-0.3 4,-0.7 0.743 77.0 72.0 -64.8 -15.8 7.0 2.3 33.2 47 72 A F H <> S+ 0 0 1 -3,-1.9 4,-2.5 1,-0.2 -1,-0.3 0.769 78.5 77.5 -67.5 -21.3 7.4 -0.6 35.7 48 73 A K H <> S+ 0 0 1 -3,-1.9 4,-2.2 1,-0.2 -1,-0.2 0.791 89.4 54.3 -60.5 -26.6 4.9 1.3 37.9 49 74 A V H <> S+ 0 0 0 -3,-1.2 4,-1.5 -4,-0.3 -1,-0.2 0.922 110.1 46.5 -71.2 -41.9 2.0 0.1 35.8 50 75 A L H X S+ 0 0 0 -4,-0.7 4,-2.1 1,-0.2 -2,-0.2 0.878 110.9 54.0 -65.0 -39.0 3.1 -3.5 36.2 51 76 A L H X S+ 0 0 0 -4,-2.5 4,-1.9 1,-0.2 -2,-0.2 0.932 110.2 44.6 -61.2 -49.4 3.5 -2.9 39.9 52 77 A a H X S+ 0 0 0 -4,-2.2 4,-2.6 1,-0.2 -1,-0.2 0.774 108.3 59.2 -69.3 -22.9 -0.1 -1.6 40.3 53 78 A G H X S+ 0 0 0 -4,-1.5 4,-1.6 2,-0.2 -1,-0.2 0.939 107.8 45.7 -66.7 -43.9 -1.3 -4.4 38.2 54 79 A A H X S+ 0 0 4 -4,-2.1 4,-1.6 2,-0.2 -2,-0.2 0.859 111.3 52.7 -65.7 -38.1 0.2 -6.8 40.8 55 80 A V H X S+ 0 0 0 -4,-1.9 4,-2.4 1,-0.2 -1,-0.2 0.942 109.8 47.8 -62.6 -46.7 -1.3 -4.8 43.6 56 81 A L H X S+ 0 0 0 -4,-2.6 4,-2.5 1,-0.2 -1,-0.2 0.797 106.8 57.2 -64.6 -29.3 -4.7 -5.0 41.9 57 82 A S H X S+ 0 0 34 -4,-1.6 4,-1.9 2,-0.2 -1,-0.2 0.873 108.4 47.4 -67.4 -38.0 -4.3 -8.8 41.5 58 83 A R H <>S+ 0 0 61 -4,-1.6 5,-3.1 2,-0.2 6,-0.7 0.908 109.6 53.0 -67.3 -43.5 -3.7 -9.0 45.2 59 84 A V H ><5S+ 0 0 34 -4,-2.4 3,-1.5 4,-0.3 -2,-0.2 0.936 109.3 49.4 -57.0 -46.8 -6.8 -6.8 45.8 60 85 A D H 3<5S+ 0 0 57 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.895 110.1 50.8 -58.9 -41.9 -8.9 -9.2 43.6 61 86 A A T 3<5S- 0 0 64 -4,-1.9 -1,-0.3 -5,-0.1 -2,-0.2 0.436 118.6-112.5 -76.9 0.1 -7.5 -12.2 45.6 62 87 A G T < 5S+ 0 0 58 -3,-1.5 -3,-0.2 -4,-0.3 -2,-0.1 0.721 89.5 113.5 75.0 22.7 -8.5 -10.5 48.8 63 88 A Q S - 0 0 102 -2,-0.3 3,-1.6 1,-0.1 29,-0.4 -0.999 14.5-140.7-132.0 132.5 -7.4 -3.4 50.0 66 91 A L T 3 S+ 0 0 22 -2,-0.4 29,-2.6 1,-0.3 30,-0.3 0.823 104.9 53.0 -63.3 -26.5 -7.3 -0.2 48.0 67 92 A G T 3 S+ 0 0 45 27,-0.2 -1,-0.3 26,-0.2 2,-0.1 0.467 77.7 121.8 -87.8 -0.2 -8.4 1.7 51.1 68 93 A R < - 0 0 93 -3,-1.6 26,-1.8 25,-0.1 2,-0.4 -0.418 60.8-131.7 -64.6 134.7 -5.7 0.4 53.3 69 94 A R E -F 93 0C 109 24,-0.2 2,-0.5 -2,-0.1 24,-0.3 -0.745 15.8-159.2 -94.3 131.6 -3.6 3.2 54.7 70 95 A I E -F 92 0C 23 22,-3.1 22,-2.1 -2,-0.4 2,-0.4 -0.940 5.7-155.3-110.8 126.5 0.2 3.2 54.6 71 96 A H + 0 0 129 -2,-0.5 2,-0.2 20,-0.2 17,-0.1 -0.857 21.4 164.9-101.6 134.2 2.1 5.4 57.0 72 97 A Y - 0 0 18 -2,-0.4 2,-0.2 15,-0.3 19,-0.2 -0.819 19.6-137.4-139.4 176.8 5.6 6.5 56.1 73 98 A S >> - 0 0 43 -2,-0.2 3,-1.5 1,-0.0 4,-0.6 -0.740 38.8 -90.2-133.2 178.0 8.3 9.1 57.2 74 99 A Q G >4 S+ 0 0 125 1,-0.3 3,-1.3 -2,-0.2 -1,-0.0 0.862 121.1 67.7 -55.1 -35.5 10.8 11.5 55.9 75 100 A N G 34 S+ 0 0 154 1,-0.3 -1,-0.3 3,-0.0 -3,-0.0 0.786 98.2 51.3 -53.8 -33.3 13.2 8.5 56.1 76 101 A D G <4 S+ 0 0 70 -3,-1.5 -1,-0.3 2,-0.0 2,-0.2 0.630 83.0 110.1 -81.8 -18.9 11.3 6.8 53.3 77 102 A L << - 0 0 32 -3,-1.3 2,-0.2 -4,-0.6 3,-0.1 -0.424 43.5-178.7 -70.1 129.8 11.4 9.7 50.8 78 103 A V - 0 0 39 -2,-0.2 30,-0.3 1,-0.2 29,-0.1 -0.626 44.2 -53.7-114.9 177.1 13.5 9.3 47.7 79 104 A E S S+ 0 0 161 -2,-0.2 28,-0.2 1,-0.2 -1,-0.2 -0.269 117.5 19.4 -55.3 135.3 14.2 11.6 44.8 80 105 A Y + 0 0 109 27,-0.1 27,-2.9 1,-0.1 28,-0.4 0.999 67.1 148.5 63.3 80.0 11.1 12.8 43.0 81 106 A S > + 0 0 4 25,-0.2 4,-2.2 26,-0.2 5,-0.2 -0.489 6.4 159.5-133.6 59.1 8.2 12.4 45.4 82 107 A P T 4 S+ 0 0 33 0, 0.0 -1,-0.1 0, 0.0 4,-0.1 0.756 80.5 28.7 -56.1 -30.1 6.0 15.3 44.5 83 108 A V T >4 S+ 0 0 31 2,-0.1 3,-1.9 -3,-0.1 4,-0.3 0.850 118.8 50.7 -99.3 -51.0 2.9 13.7 46.0 84 109 A T G >4 S+ 0 0 0 1,-0.3 3,-1.5 2,-0.2 7,-0.1 0.829 100.3 65.5 -60.6 -27.8 4.2 11.6 48.8 85 110 A E G 3< S+ 0 0 114 -4,-2.2 3,-0.4 1,-0.3 -1,-0.3 0.730 99.7 54.4 -66.9 -16.4 6.3 14.4 50.3 86 111 A K G < S+ 0 0 161 -3,-1.9 -1,-0.3 -5,-0.2 -2,-0.2 0.446 104.9 53.3 -93.0 -2.8 3.0 16.2 51.0 87 112 A H <> + 0 0 75 -3,-1.5 4,-1.7 -4,-0.3 -15,-0.3 -0.002 62.4 119.8-124.2 31.5 1.4 13.4 53.1 88 113 A L T 4 S+ 0 0 55 -3,-0.4 -16,-0.2 1,-0.2 -1,-0.1 0.837 75.0 54.3 -64.3 -34.5 4.0 12.5 55.7 89 114 A T T 4 S+ 0 0 122 1,-0.2 -1,-0.2 -3,-0.1 -2,-0.1 0.967 124.8 14.7 -67.2 -54.2 1.6 13.3 58.6 90 115 A D T 4 S- 0 0 115 1,-0.2 -2,-0.2 -19,-0.0 -1,-0.2 0.409 97.6-136.0-107.6 4.4 -1.4 11.2 57.8 91 116 A G < - 0 0 2 -4,-1.7 2,-0.3 -19,-0.2 -1,-0.2 -0.133 18.5 -92.2 75.1-173.8 -0.1 8.7 55.2 92 117 A M E -F 70 0C 4 -22,-2.1 -22,-3.1 -4,-0.1 2,-0.1 -0.982 27.4-117.1-142.9 150.3 -1.7 7.6 51.9 93 118 A T E > -F 69 0C 13 -2,-0.3 4,-2.4 -24,-0.3 -24,-0.2 -0.411 33.4-106.8 -84.3 165.6 -4.0 4.7 50.9 94 119 A V H > S+ 0 0 0 -26,-1.8 4,-2.3 -29,-0.4 5,-0.2 0.918 122.6 50.6 -56.0 -45.1 -3.0 2.1 48.4 95 120 A R H > S+ 0 0 108 -29,-2.6 4,-2.3 1,-0.2 -1,-0.2 0.933 111.1 48.7 -59.0 -46.8 -5.3 3.6 45.8 96 121 A E H > S+ 0 0 81 -30,-0.3 4,-2.2 1,-0.2 -1,-0.2 0.845 109.7 53.0 -63.4 -34.3 -3.8 7.0 46.4 97 122 A L H X S+ 0 0 0 -4,-2.4 4,-2.9 2,-0.2 -1,-0.2 0.910 110.1 45.9 -69.5 -41.8 -0.3 5.6 46.1 98 123 A a H X S+ 0 0 0 -4,-2.3 4,-2.3 2,-0.2 5,-0.4 0.893 111.5 53.0 -67.8 -36.9 -1.0 3.9 42.7 99 124 A S H X>S+ 0 0 45 -4,-2.3 4,-2.6 -5,-0.2 5,-0.6 0.935 114.2 43.1 -61.6 -43.6 -2.7 7.1 41.5 100 125 A A H X>S+ 0 0 3 -4,-2.2 6,-2.1 1,-0.2 4,-1.3 0.914 113.1 51.2 -65.9 -44.2 0.5 9.0 42.6 101 126 A A H <5S+ 0 0 0 -4,-2.9 -1,-0.2 4,-0.3 -2,-0.2 0.835 122.1 31.4 -63.1 -35.4 2.9 6.4 41.1 102 127 A I H <5S+ 0 0 3 -4,-2.3 108,-0.3 -5,-0.2 -2,-0.2 0.891 124.8 37.3 -93.3 -46.3 1.1 6.4 37.7 103 128 A T H <5S+ 0 0 13 -4,-2.6 87,-1.7 -5,-0.4 88,-0.4 0.861 136.8 19.1 -78.7 -33.5 -0.3 9.9 37.2 104 129 A M T < - 0 0 0 -6,-2.1 4,-1.2 1,-0.1 -25,-0.2 -0.434 13.6-156.7 -61.7 126.2 6.0 9.5 42.3 107 132 A A H > S+ 0 0 4 -27,-2.9 4,-2.2 2,-0.2 34,-0.2 0.899 89.3 50.3 -76.0 -43.2 9.1 7.4 43.2 108 133 A T H > S+ 0 0 0 -28,-0.4 4,-2.7 -30,-0.3 5,-0.2 0.926 107.2 56.4 -61.6 -39.5 8.5 7.0 46.9 109 134 A A H > S+ 0 0 0 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.918 106.4 50.5 -57.1 -41.1 4.9 5.9 46.1 110 135 A A H X S+ 0 0 0 -4,-1.2 4,-2.7 1,-0.2 -1,-0.2 0.920 109.9 49.7 -64.3 -42.9 6.3 3.1 43.9 111 136 A N H X S+ 0 0 20 -4,-2.2 4,-2.1 2,-0.2 -1,-0.2 0.912 110.1 49.9 -62.9 -40.0 8.7 2.0 46.7 112 137 A L H X S+ 0 0 18 -4,-2.7 4,-1.4 1,-0.2 -2,-0.2 0.925 113.4 46.6 -64.2 -40.9 5.9 1.9 49.3 113 138 A L H X S+ 0 0 0 -4,-2.4 4,-1.1 -5,-0.2 -2,-0.2 0.887 108.7 54.7 -66.9 -40.8 3.8 -0.2 46.9 114 139 A L H >X>S+ 0 0 0 -4,-2.7 5,-3.0 1,-0.2 4,-0.7 0.903 105.1 55.0 -59.0 -40.7 6.7 -2.5 46.1 115 140 A T H ><5S+ 0 0 88 -4,-2.1 3,-0.9 1,-0.2 -1,-0.2 0.889 101.8 57.6 -62.1 -36.0 7.1 -3.1 49.8 116 141 A T H 3<5S+ 0 0 24 -4,-1.4 -1,-0.2 1,-0.2 -2,-0.2 0.790 109.6 43.5 -66.7 -27.1 3.4 -4.2 50.0 117 142 A I H <<5S- 0 0 16 -4,-1.1 -1,-0.2 -3,-0.6 -2,-0.2 0.474 126.9 -91.9 -97.5 -2.0 3.8 -7.0 47.4 118 143 A G T <<5 - 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