==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=5-APR-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE/HYDROLASE INHIBITOR 28-SEP-12 4HBU . COMPND 2 MOLECULE: BETA-LACTAMASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR J.D.DOCQUIER,M.BENVENUTI,J.M.BRUNEAU,G.M.ROSSOLINI,C.MIOSSEC . 262 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10958.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 181 69.1 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 15.3 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 . 35 13.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 83 31.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 2.3 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 1 2 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 1 0 1 0 1 1 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 . 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 A > 0 0 117 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0 -48.8 9.4 -31.3 4.2 2 29 A D H > + 0 0 91 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.940 360.0 45.0 -63.2 -48.7 6.5 -30.7 1.8 3 30 A V H > S+ 0 0 37 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.887 112.9 52.7 -60.1 -40.2 4.7 -28.1 3.8 4 31 A Q H > S+ 0 0 76 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.915 109.5 48.1 -62.1 -45.6 7.9 -26.4 4.6 5 32 A Q H X S+ 0 0 115 -4,-2.5 4,-2.4 2,-0.2 -2,-0.2 0.908 111.4 51.0 -60.6 -41.5 8.8 -26.1 1.0 6 33 A K H X S+ 0 0 69 -4,-2.4 4,-2.3 -5,-0.2 -2,-0.2 0.916 110.9 47.2 -65.4 -40.5 5.4 -24.8 0.1 7 34 A L H X S+ 0 0 0 -4,-2.5 4,-2.8 2,-0.2 -2,-0.2 0.912 111.9 51.0 -67.8 -38.6 5.5 -22.1 2.8 8 35 A A H X S+ 0 0 39 -4,-2.6 4,-2.8 1,-0.2 -2,-0.2 0.903 110.9 49.1 -65.8 -37.7 9.0 -21.1 1.7 9 36 A E H X S+ 0 0 87 -4,-2.4 4,-2.7 2,-0.2 -1,-0.2 0.902 111.3 49.0 -65.5 -43.9 7.8 -20.8 -1.9 10 37 A L H X S+ 0 0 12 -4,-2.3 4,-2.5 2,-0.2 -2,-0.2 0.944 112.3 48.4 -59.5 -46.8 4.8 -18.7 -0.8 11 38 A E H X>S+ 0 0 17 -4,-2.8 4,-1.0 1,-0.2 5,-0.6 0.949 112.0 49.4 -58.2 -47.9 7.1 -16.5 1.2 12 39 A R H ><5S+ 0 0 218 -4,-2.8 3,-1.1 1,-0.2 -1,-0.2 0.949 112.9 46.6 -55.2 -52.2 9.5 -16.1 -1.7 13 40 A Q H 3<5S+ 0 0 149 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.871 107.8 57.2 -60.5 -38.5 6.7 -15.3 -4.1 14 41 A S H 3<5S- 0 0 8 -4,-2.5 -1,-0.3 -5,-0.2 -2,-0.2 0.708 98.8-135.6 -66.3 -24.7 5.1 -12.8 -1.7 15 42 A G T <<5S+ 0 0 48 -3,-1.1 -3,-0.1 -4,-1.0 -1,-0.1 0.364 72.5 79.6 82.6 -6.3 8.3 -10.7 -1.5 16 43 A G S >> -AB 230 29A 16 5,-2.7 4,-1.4 -2,-0.5 5,-1.0 -0.911 4.7-166.4-108.0 107.9 -3.4 -29.3 15.7 25 52 A T T 345S+ 0 0 47 204,-2.0 205,-0.1 -2,-0.7 -1,-0.1 0.603 78.7 76.1 -74.7 -6.2 -5.2 -30.4 18.9 26 53 A A T 345S+ 0 0 70 202,-0.3 -1,-0.2 203,-0.3 204,-0.1 0.932 122.2 3.5 -62.8 -47.0 -6.1 -33.8 17.2 27 54 A D T <45S- 0 0 103 -3,-0.7 -2,-0.2 2,-0.1 -1,-0.2 0.270 99.9-111.6-127.6 9.0 -2.5 -35.1 17.6 28 55 A N T <5S+ 0 0 116 -4,-1.4 -3,-0.2 1,-0.2 2,-0.2 0.740 70.1 143.2 62.9 29.3 -0.8 -32.3 19.5 29 56 A S E < -B 24 0A 41 -5,-1.0 -5,-2.7 2,-0.0 2,-0.3 -0.475 35.5-152.6 -95.2 166.6 1.4 -31.4 16.5 30 57 A Q E -B 23 0A 69 -7,-0.2 2,-0.4 -2,-0.2 -7,-0.2 -0.981 11.7-154.7-134.9 150.5 2.6 -28.1 15.2 31 58 A I E -B 22 0A 37 -9,-1.9 -9,-2.6 -2,-0.3 2,-0.4 -0.999 27.4-175.4-119.2 124.3 3.6 -26.6 11.9 32 59 A L E +B 21 0A 43 -2,-0.4 2,-0.3 -11,-0.2 -11,-0.2 -0.962 19.1 173.1-129.3 137.7 6.0 -23.7 12.3 33 60 A Y E S-B 20 0A 26 -13,-2.5 -13,-2.7 -2,-0.4 -2,-0.0 -0.941 85.6 -21.1-145.1 115.3 7.6 -21.3 9.9 34 61 A R S > S+ 0 0 94 -2,-0.3 3,-1.5 -15,-0.2 123,-0.1 0.826 89.7 154.8 51.6 35.8 9.7 -18.4 11.3 35 62 A A T 3 + 0 0 5 1,-0.3 122,-2.7 -15,-0.2 123,-0.5 0.625 64.4 48.2 -75.8 -12.4 7.7 -19.1 14.5 36 63 A D T 3 S+ 0 0 106 120,-0.2 -1,-0.3 119,-0.1 2,-0.2 0.365 91.6 100.0-105.4 5.7 10.2 -17.7 16.9 37 64 A E S < S- 0 0 66 -3,-1.5 2,-0.3 1,-0.1 120,-0.2 -0.547 77.1-111.2 -84.4 154.7 10.7 -14.5 14.9 38 65 A R + 0 0 94 -2,-0.2 2,-0.3 117,-0.2 117,-0.2 -0.671 34.7 178.1 -87.2 143.3 9.1 -11.3 16.0 39 66 A F E -E 154 0B 3 115,-2.5 115,-1.8 -2,-0.3 2,-0.3 -0.987 38.3-102.0-137.8 144.9 6.3 -9.6 14.0 40 67 A A E -E 153 0B 14 -2,-0.3 113,-0.3 113,-0.2 196,-0.2 -0.514 29.0-153.9 -65.7 126.0 4.2 -6.5 14.8 41 68 A M > + 0 0 0 111,-2.3 3,-2.1 -2,-0.3 -1,-0.2 0.783 22.3 175.4 -71.0 -34.2 0.9 -7.7 16.0 42 69 A C G > S- 0 0 0 110,-0.5 3,-2.0 100,-0.5 -1,-0.2 -0.252 72.2 -8.6 51.6-135.3 -1.2 -4.7 15.0 43 70 A S G > S+ 0 0 0 167,-0.3 3,-1.7 1,-0.3 -1,-0.3 0.613 122.0 79.6 -71.8 -8.5 -4.9 -5.3 15.7 44 71 A T G X S+ 0 0 0 -3,-2.1 3,-1.3 1,-0.3 4,-0.4 0.767 79.6 71.9 -67.6 -17.5 -4.3 -9.0 16.6 45 72 A S G <> S+ 0 0 0 -3,-2.0 4,-1.5 1,-0.3 3,-0.5 0.656 76.3 81.4 -64.6 -17.0 -3.1 -7.6 20.0 46 73 A K H <> S+ 0 0 0 -3,-1.7 4,-2.6 1,-0.2 -1,-0.3 0.775 80.8 64.0 -63.8 -27.9 -6.8 -6.8 20.7 47 74 A V H <> S+ 0 0 0 -3,-1.3 4,-2.4 -4,-0.2 -1,-0.2 0.935 103.7 46.4 -59.2 -45.6 -7.4 -10.4 21.7 48 75 A M H > S+ 0 0 0 -3,-0.5 4,-2.1 -4,-0.4 -2,-0.2 0.892 112.7 49.7 -64.0 -41.2 -5.0 -10.1 24.6 49 76 A A H X S+ 0 0 0 -4,-1.5 4,-1.8 2,-0.2 -2,-0.2 0.924 112.8 46.3 -64.7 -45.1 -6.5 -6.7 25.7 50 77 A A H X S+ 0 0 0 -4,-2.6 4,-2.4 1,-0.2 -2,-0.2 0.909 112.1 51.7 -63.0 -40.8 -10.0 -8.1 25.7 51 78 A A H X S+ 0 0 0 -4,-2.4 4,-2.8 -5,-0.2 -1,-0.2 0.861 105.5 55.7 -63.2 -37.3 -8.8 -11.2 27.5 52 79 A A H X S+ 0 0 7 -4,-2.1 4,-2.4 2,-0.2 -1,-0.2 0.898 109.1 46.8 -60.8 -44.7 -7.2 -9.0 30.2 53 80 A V H X S+ 0 0 0 -4,-1.8 4,-2.1 2,-0.2 -2,-0.2 0.924 111.9 50.9 -62.3 -44.6 -10.6 -7.3 30.8 54 81 A L H X S+ 0 0 0 -4,-2.4 4,-0.6 1,-0.2 -2,-0.2 0.921 110.2 49.2 -60.3 -42.7 -12.3 -10.6 30.9 55 82 A K H >< S+ 0 0 71 -4,-2.8 3,-1.5 1,-0.2 4,-0.3 0.927 109.5 52.4 -58.3 -49.6 -9.8 -11.8 33.5 56 83 A K H >< S+ 0 0 63 -4,-2.4 3,-1.6 1,-0.3 4,-0.3 0.866 102.8 60.5 -52.7 -39.5 -10.3 -8.7 35.5 57 84 A S H >< S+ 0 0 8 -4,-2.1 3,-0.7 1,-0.3 6,-0.3 0.686 85.9 74.7 -68.0 -17.1 -14.0 -9.4 35.5 58 85 A E T << S+ 0 0 69 -3,-1.5 -1,-0.3 -4,-0.6 -2,-0.2 0.742 107.0 34.2 -66.3 -26.2 -13.6 -12.7 37.2 59 86 A S T < S+ 0 0 100 -3,-1.6 -1,-0.2 -4,-0.3 -2,-0.2 0.329 124.7 44.6-109.9 11.0 -12.9 -10.7 40.5 60 87 A E S X S- 0 0 70 -3,-0.7 3,-2.2 -4,-0.3 4,-0.3 -0.795 71.0-170.9-154.0 69.6 -15.4 -7.9 39.7 61 88 A P T 3 S+ 0 0 124 0, 0.0 3,-0.3 0, 0.0 4,-0.1 0.686 81.9 52.3 -41.9 -34.8 -18.6 -9.5 38.3 62 89 A N T > S+ 0 0 109 1,-0.2 3,-0.7 2,-0.1 4,-0.4 0.227 79.9 105.5 -90.6 23.9 -20.3 -6.3 37.3 63 90 A L G X S+ 0 0 2 -3,-2.2 3,-1.9 -6,-0.3 29,-0.4 0.887 70.0 55.9 -67.1 -43.0 -17.3 -5.2 35.2 64 91 A L G 3 S+ 0 0 34 -3,-0.3 29,-2.5 1,-0.3 30,-0.3 0.774 105.8 54.1 -64.9 -22.8 -18.5 -5.8 31.7 65 92 A N G < S+ 0 0 98 -3,-0.7 -1,-0.3 27,-0.2 -2,-0.2 0.525 81.1 121.7 -83.3 -7.7 -21.5 -3.6 32.3 66 93 A Q < - 0 0 86 -3,-1.9 26,-1.7 -4,-0.4 2,-0.3 -0.337 63.0-126.3 -59.4 137.3 -19.3 -0.7 33.5 67 94 A R E -F 91 0C 135 24,-0.2 2,-0.4 25,-0.1 24,-0.2 -0.670 21.1-164.5 -92.2 140.2 -19.9 2.4 31.3 68 95 A V E -F 90 0C 24 22,-2.4 22,-2.1 -2,-0.3 2,-0.2 -0.990 20.8-123.7-126.4 125.0 -17.1 4.3 29.6 69 96 A E E -F 89 0C 108 -2,-0.4 2,-0.5 20,-0.2 20,-0.2 -0.460 18.3-154.0 -68.0 135.5 -17.4 7.8 28.2 70 97 A I + 0 0 0 18,-2.6 17,-3.0 15,-0.4 18,-0.3 -0.971 20.6 176.2-110.2 127.1 -16.6 8.3 24.5 71 98 A K >> - 0 0 114 -2,-0.5 3,-1.8 15,-0.2 4,-0.5 -0.824 46.6-107.2-124.2 162.9 -15.5 11.8 23.6 72 99 A K G >4 S+ 0 0 160 -2,-0.3 3,-1.5 1,-0.3 -1,-0.1 0.880 120.1 62.2 -54.5 -39.7 -14.2 13.5 20.4 73 100 A S G 34 S+ 0 0 101 1,-0.3 -1,-0.3 -3,-0.0 -3,-0.0 0.623 95.8 59.9 -65.3 -16.1 -10.8 13.5 22.0 74 101 A D G <4 S+ 0 0 37 -3,-1.8 -1,-0.3 8,-0.1 -2,-0.2 0.641 78.7 111.5 -80.5 -19.8 -10.9 9.7 22.1 75 102 A L << + 0 0 57 -3,-1.5 2,-0.1 -4,-0.5 4,-0.0 -0.313 40.4 167.9 -61.5 141.4 -11.2 9.3 18.3 76 103 A V - 0 0 42 64,-0.0 3,-0.2 0, 0.0 -1,-0.1 -0.145 53.9 -55.8-125.5-141.6 -8.1 7.9 16.5 77 104 A N S S+ 0 0 82 1,-0.2 2,-0.3 186,-0.1 -2,-0.1 0.640 123.2 27.7 -83.5 -17.4 -7.5 6.6 13.0 78 105 A Y + 0 0 98 185,-0.1 27,-2.5 1,-0.0 28,-0.5 -0.832 61.5 153.8-157.0 100.5 -10.2 3.9 12.7 79 106 A N > + 0 0 22 -2,-0.3 4,-2.2 25,-0.2 5,-0.2 -0.370 7.1 153.1-132.0 46.1 -13.4 4.4 14.8 80 107 A P T 4 S+ 0 0 24 0, 0.0 -1,-0.1 0, 0.0 4,-0.1 0.789 84.7 22.0 -58.4 -34.2 -16.2 2.5 13.0 81 108 A I T >4 S+ 0 0 31 -3,-0.1 3,-1.8 2,-0.1 4,-0.3 0.824 120.6 55.4 -96.6 -48.8 -18.3 1.9 16.2 82 109 A A G >4 S+ 0 0 1 1,-0.3 3,-2.0 2,-0.2 4,-0.5 0.835 96.2 66.6 -58.5 -33.3 -17.0 4.5 18.6 83 110 A E G 3< S+ 0 0 118 -4,-2.2 3,-0.5 1,-0.3 -1,-0.3 0.789 97.7 55.8 -60.2 -24.6 -17.8 7.3 16.2 84 111 A K G < S+ 0 0 149 -3,-1.8 -1,-0.3 -5,-0.2 -2,-0.2 0.588 109.8 46.0 -78.4 -12.4 -21.5 6.4 16.7 85 112 A H S X S+ 0 0 65 -3,-2.0 3,-2.4 -4,-0.3 -15,-0.4 0.262 73.0 141.3-117.5 6.0 -21.3 6.8 20.5 86 113 A V T 3 S+ 0 0 29 -3,-0.5 -15,-0.2 -4,-0.5 3,-0.1 -0.314 75.3 20.6 -57.0 135.1 -19.4 10.1 20.9 87 114 A N T 3 S+ 0 0 134 -17,-3.0 -1,-0.3 1,-0.4 2,-0.2 0.388 120.0 70.4 78.7 4.7 -20.9 12.0 23.8 88 115 A G S < S- 0 0 29 -3,-2.4 -18,-2.6 -18,-0.3 -1,-0.4 -0.552 84.1 -99.3-121.9-167.0 -22.4 9.0 25.3 89 116 A T E -F 69 0C 39 -20,-0.2 2,-0.3 -2,-0.2 -20,-0.2 -0.846 19.7-158.3-115.3 157.8 -21.1 5.9 27.0 90 117 A M E -F 68 0C 2 -22,-2.1 -22,-2.4 -2,-0.3 2,-0.1 -0.962 25.4-117.6-123.4 147.7 -20.4 2.3 25.9 91 118 A S E > -F 67 0C 8 -2,-0.3 4,-2.5 -24,-0.2 -24,-0.2 -0.445 26.2-112.9 -74.9 160.8 -20.1 -0.7 28.2 92 119 A L H > S+ 0 0 0 -26,-1.7 4,-2.4 -29,-0.4 -27,-0.2 0.859 121.0 55.3 -60.9 -33.3 -16.9 -2.6 28.5 93 120 A A H > S+ 0 0 26 -29,-2.5 4,-2.6 2,-0.2 -1,-0.2 0.938 108.8 46.4 -62.6 -46.1 -18.7 -5.5 26.9 94 121 A E H > S+ 0 0 80 -30,-0.3 4,-2.5 1,-0.2 -2,-0.2 0.875 112.2 50.8 -63.4 -38.5 -19.7 -3.3 23.9 95 122 A L H X S+ 0 0 0 -4,-2.5 4,-2.6 2,-0.2 -1,-0.2 0.905 110.4 49.7 -65.3 -41.7 -16.1 -2.0 23.7 96 123 A S H X S+ 0 0 0 -4,-2.4 4,-2.5 -5,-0.2 5,-0.2 0.938 112.8 46.5 -60.7 -47.1 -14.8 -5.6 23.7 97 124 A A H X S+ 0 0 20 -4,-2.6 4,-2.8 1,-0.2 5,-0.4 0.909 113.4 48.9 -63.0 -41.6 -17.2 -6.6 21.0 98 125 A A H X S+ 0 0 4 -4,-2.5 6,-1.8 2,-0.2 4,-1.6 0.910 113.1 47.3 -65.3 -43.7 -16.4 -3.5 18.9 99 126 A A H < S+ 0 0 0 -4,-2.6 4,-0.4 4,-0.3 -2,-0.2 0.925 121.3 36.2 -60.3 -46.3 -12.6 -4.1 19.3 100 127 A L H < S+ 0 0 1 -4,-2.5 -2,-0.2 -5,-0.2 108,-0.2 0.819 126.2 33.7 -79.6 -35.7 -12.9 -7.8 18.4 101 128 A Q H < S+ 0 0 39 -4,-2.8 87,-2.1 -5,-0.2 88,-0.2 0.702 135.1 19.7-101.9 -23.3 -15.6 -7.8 15.7 102 129 A Y S < S- 0 0 102 -4,-1.6 -3,-0.2 -5,-0.4 -2,-0.1 0.342 96.5-123.5-120.8 -4.2 -15.1 -4.5 13.9 103 130 A S - 0 0 0 -5,-0.5 2,-0.4 -4,-0.4 -4,-0.3 0.888 40.1-177.6 57.2 44.9 -11.5 -3.8 14.9 104 131 A D > - 0 0 1 -6,-1.8 4,-1.7 1,-0.1 -1,-0.2 -0.590 17.9-157.2 -74.0 124.5 -12.4 -0.4 16.5 105 132 A N H > S+ 0 0 0 -27,-2.5 4,-2.2 -2,-0.4 34,-0.2 0.785 90.6 56.2 -80.2 -27.1 -9.2 1.3 17.7 106 133 A V H > S+ 0 0 1 -28,-0.5 4,-2.2 2,-0.2 -1,-0.2 0.927 106.6 52.5 -62.8 -44.5 -11.0 3.6 20.2 107 134 A A H > S+ 0 0 0 1,-0.2 4,-2.1 2,-0.2 -2,-0.2 0.935 108.2 50.2 -57.2 -46.6 -12.5 0.4 21.8 108 135 A M H X S+ 0 0 0 -4,-1.7 4,-2.8 1,-0.2 -1,-0.2 0.932 108.1 52.9 -55.1 -47.7 -9.0 -1.1 22.0 109 136 A N H X S+ 0 0 32 -4,-2.2 4,-2.7 1,-0.2 -1,-0.2 0.860 108.2 51.0 -58.2 -38.1 -7.7 2.1 23.7 110 137 A K H X S+ 0 0 39 -4,-2.2 4,-2.2 2,-0.2 -1,-0.2 0.874 110.5 48.1 -66.7 -39.0 -10.5 1.8 26.3 111 138 A L H X S+ 0 0 0 -4,-2.1 4,-1.7 -5,-0.2 6,-0.2 0.939 114.0 47.5 -62.1 -48.7 -9.7 -1.8 27.0 112 139 A I H X>S+ 0 0 2 -4,-2.8 5,-2.7 1,-0.2 4,-0.9 0.945 114.8 45.9 -55.0 -52.8 -6.0 -0.9 27.4 113 140 A A H ><5S+ 0 0 67 -4,-2.7 3,-0.9 1,-0.2 -1,-0.2 0.915 107.3 57.9 -61.0 -41.7 -6.7 2.1 29.6 114 141 A H H 3<5S+ 0 0 42 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.907 109.0 43.9 -56.4 -49.3 -9.1 0.2 31.8 115 142 A V H 3<5S- 0 0 20 -4,-1.7 -1,-0.3 -3,-0.1 -2,-0.2 0.577 130.0 -87.2 -79.8 -4.6 -6.6 -2.4 32.8 116 143 A G T <<5S- 0 0 61 -3,-0.9 3,-0.2 -4,-0.9 -3,-0.2 0.395 72.0 -73.7 117.9 2.0 -3.8 0.0 33.4 117 144 A G S >> S+ 0 0 26 0, 0.0 4,-2.3 0, 0.0 17,-0.4 0.847 131.8 55.3 -55.2 -36.8 0.1 -1.5 27.7 119 146 A A H 3> S+ 0 0 78 -3,-0.2 4,-2.0 1,-0.2 -2,-0.1 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