==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=13-FEB-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 08-SEP-10 2XR0 . COMPND 2 MOLECULE: TOHO-1 BETA-LACTAMASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR S.J.TOMANICEK,K.K.WANG,K.L.WEISS,M.P.BLAKELEY,J.COOPER,Y.CHE . 260 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11270.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 184 70.8 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 . 39 15.0 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 . 38 14.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 82 31.5 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 2 3 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 1 0 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 95 0, 0.0 4,-2.2 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 -27.5 65.7 -8.7 -10.2 2 29 A V H > + 0 0 40 2,-0.2 4,-2.1 1,-0.2 5,-0.2 0.880 360.0 52.1 -59.4 -37.3 62.0 -9.2 -9.9 3 30 A Q H > S+ 0 0 88 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.919 106.9 49.4 -63.2 -46.7 63.2 -12.3 -11.9 4 31 A Q H > S+ 0 0 132 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.887 111.1 50.7 -59.4 -40.3 65.8 -13.1 -9.3 5 32 A Q H X S+ 0 0 89 -4,-2.2 4,-1.9 2,-0.2 -1,-0.2 0.873 111.9 45.8 -68.7 -37.6 63.3 -12.8 -6.5 6 33 A L H X S+ 0 0 0 -4,-2.1 4,-2.9 2,-0.2 -2,-0.2 0.910 111.9 52.2 -70.8 -41.3 60.8 -15.1 -8.3 7 34 A E H X S+ 0 0 112 -4,-2.7 4,-2.8 1,-0.2 -2,-0.2 0.924 111.7 46.4 -61.1 -42.4 63.5 -17.6 -9.1 8 35 A A H X S+ 0 0 55 -4,-2.3 4,-2.2 2,-0.2 5,-0.2 0.892 111.7 51.3 -67.9 -38.6 64.6 -17.7 -5.4 9 36 A L H X S+ 0 0 31 -4,-1.9 4,-2.0 -5,-0.2 -2,-0.2 0.948 112.4 46.8 -61.4 -46.3 61.0 -18.0 -4.2 10 37 A E H X>S+ 0 0 15 -4,-2.9 4,-1.5 2,-0.2 5,-0.9 0.945 111.1 51.2 -59.7 -49.6 60.5 -20.9 -6.6 11 38 A K H <5S+ 0 0 178 -4,-2.8 3,-0.4 1,-0.2 -1,-0.2 0.923 113.2 44.2 -56.3 -48.8 63.8 -22.7 -5.6 12 39 A S H <5S+ 0 0 111 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.838 109.8 56.4 -63.4 -37.0 63.0 -22.5 -1.9 13 40 A S H <5S- 0 0 15 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.785 99.7-136.3 -68.5 -26.7 59.4 -23.6 -2.4 14 41 A G T <5 + 0 0 46 -4,-1.5 -3,-0.1 -3,-0.4 2,-0.1 0.658 69.5 88.0 76.6 16.1 60.5 -26.8 -4.1 15 42 A G S >> -AB 229 28A 17 5,-2.7 4,-1.3 -2,-0.5 3,-1.0 -0.887 5.2-160.7 -96.1 106.3 50.0 -3.7 -16.5 24 51 A T T 345S+ 0 0 32 204,-1.8 -1,-0.1 -2,-0.8 205,-0.1 0.591 78.7 77.7 -72.3 -7.4 47.2 -2.2 -18.6 25 52 A A T 345S- 0 0 70 203,-0.3 -1,-0.2 202,-0.2 204,-0.1 0.920 125.1 -2.0 -60.9 -42.4 48.6 1.4 -18.3 26 53 A D T <45S- 0 0 102 -3,-1.0 -2,-0.2 2,-0.1 -1,-0.2 0.220 97.2-113.2-132.9 10.5 51.3 0.6 -20.9 27 54 A N T <5 + 0 0 95 -4,-1.3 -3,-0.2 1,-0.2 2,-0.1 0.726 63.6 154.9 53.5 26.0 50.7 -3.0 -21.7 28 55 A S E < -B 23 0A 53 -5,-0.8 -5,-2.7 -6,-0.0 2,-0.3 -0.417 27.5-149.7 -75.8 160.1 54.0 -3.9 -20.1 29 56 A Q E -B 22 0A 89 -7,-0.2 2,-0.5 -2,-0.1 -7,-0.2 -0.972 20.1-155.1-136.8 143.3 54.4 -7.5 -18.7 30 57 A I E -B 21 0A 40 -9,-2.1 -9,-2.4 -2,-0.3 2,-0.4 -0.992 29.9-175.6-115.3 119.7 56.2 -9.3 -16.0 31 59 A L E +B 20 0A 53 -2,-0.5 2,-0.3 -11,-0.2 -11,-0.2 -0.944 20.3 171.9-122.3 137.1 56.6 -13.0 -17.0 32 60 A Y E S-B 19 0A 18 -13,-2.5 -13,-2.8 -2,-0.4 -2,-0.0 -0.902 85.5 -25.3-142.5 114.7 58.0 -16.0 -15.2 33 61 A R S > S+ 0 0 100 -2,-0.3 3,-1.4 -15,-0.2 123,-0.1 0.851 89.4 153.2 48.4 38.7 57.5 -19.4 -16.9 34 62 A A T 3 + 0 0 4 1,-0.3 122,-2.3 -15,-0.1 123,-0.5 0.601 63.6 53.2 -77.9 -11.6 54.5 -17.7 -18.6 35 63 A D T 3 S+ 0 0 127 120,-0.1 2,-0.3 119,-0.1 -1,-0.3 0.335 89.0 100.4-104.1 8.5 54.6 -20.0 -21.6 36 64 A E S < S- 0 0 66 -3,-1.4 2,-0.2 1,-0.0 120,-0.1 -0.706 75.5-113.6 -94.6 145.6 54.6 -23.2 -19.6 37 65 A R + 0 0 97 -2,-0.3 2,-0.3 117,-0.2 117,-0.2 -0.513 34.6 177.6 -76.3 140.7 51.4 -25.3 -19.1 38 66 A F E -E 153 0B 2 115,-2.5 115,-1.7 -2,-0.2 2,-0.2 -0.976 38.9 -99.9-135.4 152.2 49.9 -25.7 -15.7 39 67 A A E -E 152 0B 14 -2,-0.3 113,-0.3 113,-0.2 112,-0.1 -0.535 29.9-152.8 -68.4 132.1 46.7 -27.5 -14.6 40 68 A M > + 0 0 0 111,-2.4 3,-1.9 -2,-0.2 -1,-0.1 0.817 22.5 174.9 -77.1 -32.5 44.0 -24.9 -14.2 41 69 A C G > S- 0 0 1 100,-0.5 3,-2.0 110,-0.5 4,-0.2 -0.305 72.9 -8.1 49.6-137.4 41.9 -26.6 -11.5 42 70 A S G > S+ 0 0 10 167,-0.3 3,-1.6 1,-0.3 4,-0.3 0.563 120.1 80.6 -69.1 -6.7 39.1 -24.3 -10.4 43 71 A T G X S+ 0 0 1 -3,-1.9 3,-0.9 1,-0.3 4,-0.4 0.708 81.5 69.8 -70.2 -13.1 40.4 -21.3 -12.3 44 72 A S G X> S+ 0 0 2 -3,-2.0 4,-1.3 1,-0.2 3,-0.8 0.675 78.1 79.6 -73.9 -16.2 38.7 -22.9 -15.3 45 73 A K H <> S+ 0 0 0 -3,-1.6 4,-2.4 1,-0.2 -1,-0.2 0.805 82.4 64.0 -60.8 -28.3 35.4 -22.1 -13.8 46 74 A V H <> S+ 0 0 0 -3,-0.9 4,-2.4 -4,-0.3 -1,-0.2 0.882 101.6 49.6 -62.7 -36.7 35.7 -18.5 -15.1 47 75 A M H <> S+ 0 0 0 -3,-0.8 4,-1.8 -4,-0.4 -1,-0.2 0.862 110.5 49.1 -73.2 -36.9 35.7 -19.7 -18.7 48 76 A A H X S+ 0 0 0 -4,-1.3 4,-1.4 2,-0.2 -2,-0.2 0.916 113.2 46.9 -68.9 -41.6 32.6 -21.8 -18.2 49 77 A A H X S+ 0 0 2 -4,-2.4 4,-2.0 1,-0.2 -2,-0.2 0.924 112.8 50.0 -63.7 -44.1 30.7 -18.9 -16.5 50 78 A A H X S+ 0 0 0 -4,-2.4 4,-2.4 1,-0.2 -1,-0.2 0.838 104.6 58.2 -63.0 -35.2 31.8 -16.6 -19.3 51 79 A A H X S+ 0 0 6 -4,-1.8 4,-1.6 1,-0.2 -1,-0.2 0.887 107.9 46.4 -65.0 -37.1 30.6 -19.0 -21.9 52 80 A V H X S+ 0 0 5 -4,-1.4 4,-1.8 2,-0.2 -2,-0.2 0.894 110.3 53.1 -70.8 -37.1 27.1 -18.8 -20.5 53 81 A L H X S+ 0 0 0 -4,-2.0 4,-0.6 1,-0.2 -2,-0.2 0.903 105.7 54.4 -64.9 -38.3 27.3 -15.0 -20.2 54 82 A K H >< S+ 0 0 67 -4,-2.4 3,-1.2 1,-0.2 4,-0.3 0.919 107.0 51.4 -60.1 -43.3 28.2 -14.9 -23.9 55 83 A Q H >X S+ 0 0 72 -4,-1.6 3,-1.8 1,-0.2 4,-0.8 0.889 101.2 62.1 -57.4 -39.7 25.1 -16.9 -24.7 56 84 A S H 3< S+ 0 0 10 -4,-1.8 -1,-0.2 1,-0.3 -2,-0.2 0.666 85.9 76.0 -66.4 -14.8 23.0 -14.5 -22.7 57 85 A E T << S+ 0 0 71 -3,-1.2 -1,-0.3 -4,-0.6 -2,-0.2 0.765 109.7 26.9 -65.0 -25.3 24.0 -11.7 -25.2 58 86 A S T <4 S+ 0 0 112 -3,-1.8 2,-0.4 -4,-0.3 -1,-0.2 0.427 120.8 57.0-116.1 -5.8 21.6 -13.1 -27.7 59 87 A D >< - 0 0 69 -4,-0.8 3,-1.4 1,-0.1 4,-0.4 -0.854 60.1-172.4-133.9 96.7 19.1 -14.8 -25.4 60 88 A K T 3 S+ 0 0 176 -2,-0.4 4,-0.1 1,-0.3 -1,-0.1 0.578 85.6 51.5 -68.7 -11.7 17.6 -12.4 -22.9 61 89 A H T >> S+ 0 0 130 1,-0.1 3,-1.0 2,-0.1 4,-0.6 0.595 84.4 91.6 -98.8 -10.4 15.8 -15.2 -21.0 62 90 A L G X4 S+ 0 0 7 -3,-1.4 3,-1.8 1,-0.2 29,-0.4 0.877 77.9 54.8 -55.9 -53.0 18.8 -17.5 -20.5 63 91 A L G 34 S+ 0 0 34 -4,-0.4 29,-2.3 1,-0.3 30,-0.4 0.741 109.6 48.9 -60.5 -23.0 20.2 -16.3 -17.2 64 92 A N G <4 S+ 0 0 119 -3,-1.0 -1,-0.3 26,-0.2 -2,-0.2 0.503 79.0 122.0 -96.3 -5.4 16.8 -16.9 -15.4 65 93 A Q << - 0 0 94 -3,-1.8 26,-1.4 -4,-0.6 2,-0.3 -0.347 62.7-127.3 -54.2 135.4 16.3 -20.3 -16.8 66 94 A R E -F 90 0C 154 24,-0.2 2,-0.4 25,-0.1 24,-0.2 -0.712 19.8-161.4 -95.2 140.0 15.8 -22.7 -13.9 67 95 A V E -F 89 0C 27 22,-2.7 22,-2.3 -2,-0.3 2,-0.4 -0.965 19.4-124.2-121.4 135.4 17.8 -25.9 -13.4 68 96 A E E -F 88 0C 115 -2,-0.4 2,-0.6 20,-0.2 20,-0.2 -0.626 17.1-153.1 -82.4 130.4 16.8 -28.8 -11.1 69 97 A I - 0 0 1 18,-2.1 17,-2.7 15,-0.4 18,-0.3 -0.921 18.5-179.7-103.2 117.9 19.3 -29.9 -8.5 70 98 A K >> - 0 0 99 -2,-0.6 3,-1.9 15,-0.2 4,-0.7 -0.769 43.1-105.6-111.5 160.6 18.9 -33.5 -7.5 71 99 A K G >4 S+ 0 0 149 1,-0.3 3,-0.7 -2,-0.3 -1,-0.1 0.815 120.6 57.2 -52.0 -32.2 20.9 -35.6 -4.9 72 100 A S G 34 S+ 0 0 107 1,-0.2 -1,-0.3 0, 0.0 -3,-0.0 0.656 94.2 66.3 -76.2 -17.3 22.7 -37.3 -7.8 73 101 A D G <4 S+ 0 0 39 -3,-1.9 -1,-0.2 8,-0.1 -2,-0.2 0.764 80.4 103.9 -71.1 -24.7 23.9 -34.0 -9.2 74 102 A L << + 0 0 50 -3,-0.7 4,-0.0 -4,-0.7 2,-0.0 -0.345 46.4 176.8 -69.7 131.7 26.1 -33.5 -6.2 75 103 A V - 0 0 48 -2,-0.1 3,-0.2 2,-0.1 -1,-0.1 0.162 52.5 -58.8-102.8-132.8 29.9 -34.1 -6.5 76 104 A N S S+ 0 0 102 1,-0.2 2,-0.2 -2,-0.0 -2,-0.1 0.539 120.7 30.5 -99.9 -10.7 32.6 -33.7 -3.9 77 105 A Y + 0 0 115 1,-0.0 27,-3.3 25,-0.0 28,-0.5 -0.722 61.9 147.2-151.8 98.9 32.4 -29.9 -3.0 78 106 A N > + 0 0 16 -2,-0.2 4,-2.0 25,-0.2 5,-0.3 -0.489 2.1 158.6-133.8 60.8 28.9 -28.3 -3.2 79 107 A P T 4 S+ 0 0 29 0, 0.0 4,-0.2 0, 0.0 -1,-0.1 0.808 85.9 26.9 -60.6 -30.5 28.6 -25.5 -0.6 80 108 A I T >4 S+ 0 0 32 2,-0.1 3,-0.8 17,-0.1 -2,-0.1 0.842 118.9 53.1 -97.6 -44.5 25.8 -23.8 -2.5 81 109 A A G >4 S+ 0 0 0 1,-0.2 3,-2.0 2,-0.2 -7,-0.1 0.829 100.0 62.8 -63.4 -33.3 24.1 -26.5 -4.5 82 110 A E G >< S+ 0 0 114 -4,-2.0 3,-1.0 1,-0.3 -1,-0.2 0.818 94.9 62.4 -63.8 -27.0 23.6 -28.8 -1.5 83 111 A K G < S+ 0 0 159 -3,-0.8 -1,-0.3 -5,-0.3 -2,-0.2 0.454 107.4 45.7 -72.6 -0.4 21.3 -26.0 -0.0 84 112 A H G X S+ 0 0 71 -3,-2.0 3,-2.3 3,-0.1 -15,-0.4 0.139 70.9 145.3-133.5 19.5 19.0 -26.6 -3.0 85 113 A V T < S+ 0 0 31 -3,-1.0 -15,-0.2 1,-0.3 3,-0.1 -0.441 80.3 16.9 -62.3 132.1 18.6 -30.3 -3.4 86 114 A N T 3 S+ 0 0 131 -17,-2.7 -1,-0.3 1,-0.3 -16,-0.1 0.318 122.7 75.0 80.7 -4.5 15.1 -31.0 -4.6 87 115 A G S < S- 0 0 30 -3,-2.3 -18,-2.1 -18,-0.3 -1,-0.3 -0.202 80.4-103.1-111.3-152.9 14.8 -27.4 -5.7 88 116 A T E -F 68 0C 47 -20,-0.2 2,-0.3 -3,-0.1 -20,-0.2 -0.928 15.6-159.0-136.5 162.8 16.1 -25.3 -8.6 89 117 A M E -F 67 0C 3 -22,-2.3 -22,-2.7 -2,-0.3 2,-0.1 -0.992 23.7-123.6-136.5 141.6 18.8 -22.7 -9.4 90 118 A T E > -F 66 0C 7 -2,-0.3 4,-2.0 -24,-0.2 -24,-0.2 -0.382 30.7-109.1 -74.3 163.9 18.9 -20.3 -12.3 91 119 A L H > S+ 0 0 2 -26,-1.4 4,-2.3 -29,-0.4 -27,-0.2 0.868 122.6 54.5 -60.8 -37.4 21.9 -20.3 -14.6 92 120 A A H > S+ 0 0 24 -29,-2.3 4,-2.7 2,-0.2 -1,-0.2 0.911 107.3 50.0 -61.0 -42.0 22.9 -16.9 -13.1 93 121 A E H > S+ 0 0 83 -30,-0.4 4,-2.4 1,-0.2 -2,-0.2 0.869 109.9 50.5 -65.1 -36.4 22.8 -18.5 -9.6 94 122 A L H X S+ 0 0 0 -4,-2.0 4,-2.7 2,-0.2 -1,-0.2 0.885 109.5 51.4 -66.3 -39.7 25.0 -21.4 -10.9 95 123 A G H X S+ 0 0 1 -4,-2.3 4,-2.0 2,-0.2 5,-0.3 0.957 111.7 47.2 -59.2 -50.3 27.4 -18.9 -12.3 96 124 A A H X S+ 0 0 22 -4,-2.7 4,-3.0 1,-0.2 5,-0.5 0.917 113.9 46.6 -57.7 -46.7 27.6 -17.1 -9.0 97 125 A A H X S+ 0 0 4 -4,-2.4 6,-1.8 1,-0.2 4,-1.7 0.929 110.9 51.7 -66.8 -45.6 28.1 -20.3 -7.0 98 126 A A H < S+ 0 0 0 -4,-2.7 4,-0.3 4,-0.3 -1,-0.2 0.888 121.7 32.2 -54.2 -42.6 30.8 -21.7 -9.3 99 127 A L H < S+ 0 0 1 -4,-2.0 108,-0.2 -5,-0.2 -2,-0.2 0.906 123.8 38.5 -88.0 -45.0 32.8 -18.4 -9.1 100 128 A Q H < S+ 0 0 38 -4,-3.0 87,-2.4 -5,-0.3 88,-0.3 0.770 135.7 18.5 -83.6 -26.9 32.2 -17.0 -5.6 101 129 A Y S < S- 0 0 93 -4,-1.7 -3,-0.2 -5,-0.5 -1,-0.2 0.329 97.1-123.6-120.5 -2.7 32.2 -20.3 -3.7 102 130 A S - 0 0 12 -5,-0.5 2,-0.3 -6,-0.3 -4,-0.3 0.865 39.8-172.6 59.1 36.7 33.9 -22.6 -6.2 103 131 A D > - 0 0 0 -6,-1.8 4,-1.6 1,-0.1 -25,-0.2 -0.460 16.3-157.3 -64.5 123.4 30.9 -25.0 -6.2 104 132 A N H > S+ 0 0 8 -27,-3.3 4,-2.1 -2,-0.3 34,-0.3 0.843 90.9 52.9 -76.4 -33.2 31.7 -28.1 -8.2 105 133 A T H > S+ 0 0 1 -28,-0.5 4,-2.5 2,-0.2 5,-0.2 0.927 107.6 53.2 -64.7 -42.4 28.1 -29.1 -8.9 106 134 A A H > S+ 0 0 0 1,-0.2 4,-2.2 2,-0.2 -2,-0.2 0.923 108.3 50.5 -58.5 -43.2 27.5 -25.6 -10.2 107 135 A M H X S+ 0 0 0 -4,-1.6 4,-2.6 1,-0.2 -1,-0.2 0.939 110.8 48.1 -58.5 -48.4 30.5 -26.0 -12.6 108 136 A N H X S+ 0 0 32 -4,-2.1 4,-2.7 1,-0.2 -1,-0.2 0.861 109.8 52.7 -64.6 -35.2 29.2 -29.4 -13.8 109 137 A K H X S+ 0 0 39 -4,-2.5 4,-2.8 2,-0.2 -1,-0.2 0.909 110.0 48.9 -63.8 -41.7 25.7 -28.0 -14.4 110 138 A L H X S+ 0 0 0 -4,-2.2 4,-2.1 -5,-0.2 -2,-0.2 0.926 112.2 48.0 -66.2 -43.0 27.2 -25.2 -16.5 111 139 A I H X>S+ 0 0 3 -4,-2.6 5,-2.4 2,-0.2 4,-1.1 0.930 112.1 49.0 -63.5 -43.0 29.3 -27.6 -18.5 112 140 A A H ><5S+ 0 0 72 -4,-2.7 3,-0.8 1,-0.2 -2,-0.2 0.942 109.4 52.5 -63.8 -42.8 26.3 -29.9 -19.1 113 141 A H H 3<5S+ 0 0 60 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.895 110.1 48.5 -57.4 -40.3 24.2 -26.9 -20.2 114 142 A L H 3<5S- 0 0 24 -4,-2.1 -1,-0.3 -5,-0.2 -2,-0.2 0.661 122.0-106.7 -73.6 -17.8 26.8 -25.9 -22.7 115 143 A G T <<5S- 0 0 47 -4,-1.1 -3,-0.2 -3,-0.8 3,-0.2 0.620 71.3 -43.5 100.6 13.0 27.1 -29.4 -24.1 116 144 A G S >> S+ 0 0 25 0, 0.0 4,-2.0 0, 0.0 3,-0.4 0.820 123.9 62.3 -56.2 -37.1 34.1 -29.6 -22.0 118 146 A D H 3> S+ 0 0 93 1,-0.2 4,-2.3 2,-0.2 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