==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-MAY-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 15-JUN-09 3HUO . COMPND 2 MOLECULE: CTX-M-9 EXTENDED-SPECTRUM BETA-LACTAMASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR J.DELMAS,D.LEYSSENE,D.DUBOIS,F.ROBIN,R.BONNET . 522 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 21423.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 375 71.8 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 . 82 15.7 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 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 . 8 1.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 78 14.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 167 32.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 9 1.7 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 4 2 6 4 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 2 0 2 2 0 2 2 2 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 . 4 0 0 2 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 T 0 0 96 0, 0.0 412,-0.1 0, 0.0 2,-0.1 0.000 360.0 360.0 360.0 117.6 18.6 2.5 1.0 2 27 A S > - 0 0 48 1,-0.1 4,-2.0 409,-0.0 5,-0.1 -0.354 360.0-103.8 -90.8 173.9 20.8 -0.7 1.4 3 28 A A H > S+ 0 0 48 2,-0.2 4,-1.9 1,-0.2 5,-0.1 0.891 123.6 48.8 -65.0 -39.3 21.2 -3.7 -0.9 4 29 A V H > S+ 0 0 21 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.911 109.1 51.6 -68.1 -41.2 19.0 -5.7 1.4 5 30 A Q H > S+ 0 0 55 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.883 108.3 53.2 -63.5 -34.5 16.3 -3.0 1.5 6 31 A Q H X S+ 0 0 98 -4,-2.0 4,-1.9 2,-0.2 -1,-0.2 0.900 109.0 48.2 -67.5 -39.2 16.4 -3.0 -2.3 7 32 A K H X S+ 0 0 111 -4,-1.9 4,-2.6 2,-0.2 -2,-0.2 0.911 110.4 51.6 -67.5 -39.4 15.9 -6.8 -2.5 8 33 A L H X S+ 0 0 0 -4,-2.4 4,-2.7 1,-0.2 -2,-0.2 0.890 108.8 51.8 -63.5 -36.4 13.0 -6.5 -0.0 9 34 A A H X S+ 0 0 34 -4,-2.0 4,-2.7 2,-0.2 -1,-0.2 0.903 109.5 49.2 -66.8 -38.3 11.5 -3.8 -2.2 10 35 A A H X S+ 0 0 55 -4,-1.9 4,-1.8 2,-0.2 -2,-0.2 0.904 111.2 49.6 -67.3 -40.2 11.7 -6.0 -5.3 11 36 A L H X S+ 0 0 29 -4,-2.6 4,-0.9 1,-0.2 -2,-0.2 0.946 112.5 47.8 -62.6 -46.8 10.1 -8.8 -3.4 12 37 A E H >X S+ 0 0 18 -4,-2.7 4,-1.1 1,-0.2 3,-1.0 0.921 107.8 54.8 -59.6 -47.1 7.3 -6.5 -2.3 13 38 A K H 3< S+ 0 0 180 -4,-2.7 3,-0.3 1,-0.3 -1,-0.2 0.878 111.7 44.3 -55.6 -40.0 6.7 -5.2 -5.8 14 39 A S H 3< S+ 0 0 107 -4,-1.8 -1,-0.3 1,-0.2 -2,-0.2 0.606 106.9 62.0 -79.9 -13.0 6.3 -8.7 -7.2 15 40 A S H << S- 0 0 13 -3,-1.0 -1,-0.2 -4,-0.9 -2,-0.2 0.704 93.7-137.1 -85.9 -25.0 4.0 -9.8 -4.2 16 41 A G S < S+ 0 0 58 -4,-1.1 -3,-0.1 -3,-0.3 -4,-0.1 0.214 73.5 78.5 86.0 -14.6 1.2 -7.3 -4.9 17 42 A G S S- 0 0 17 -5,-0.3 2,-0.5 222,-0.1 -1,-0.3 -0.056 87.8 -83.2-106.6-153.9 0.9 -6.5 -1.1 18 43 A R E -A 238 0A 70 220,-2.8 220,-2.1 -3,-0.1 2,-0.4 -0.987 38.2-161.5-124.5 123.7 2.7 -4.4 1.6 19 44 A L E -A 237 0A 0 -2,-0.5 2,-0.4 218,-0.2 218,-0.2 -0.863 6.9-171.2-110.7 137.3 5.7 -5.9 3.4 20 45 A G E +A 236 0A 0 216,-3.0 216,-2.9 -2,-0.4 2,-0.4 -0.995 10.2 177.4-128.8 128.3 7.1 -4.8 6.8 21 46 A V E +AB 235 34A 0 13,-2.7 13,-2.6 -2,-0.4 2,-0.4 -0.991 11.9 176.9-133.9 140.9 10.4 -6.1 8.1 22 47 A A E -AB 234 33A 1 212,-2.1 212,-2.7 -2,-0.4 2,-0.4 -0.954 6.8-178.5-142.3 122.0 12.6 -5.5 11.2 23 48 A L E -AB 233 32A 7 9,-2.6 9,-1.9 -2,-0.4 2,-0.5 -0.959 8.1-169.8-116.2 137.0 15.8 -7.3 12.0 24 49 A I E -AB 232 31A 1 208,-2.5 208,-2.4 -2,-0.4 2,-0.7 -0.998 10.0-156.9-121.5 123.2 18.0 -6.8 15.0 25 50 A D E >>> -AB 231 30A 11 5,-2.7 4,-2.0 -2,-0.5 3,-1.4 -0.897 0.8-161.4 -99.5 108.6 21.3 -8.5 14.9 26 51 A T T 345S+ 0 0 27 204,-2.1 205,-0.1 -2,-0.7 -1,-0.1 0.524 80.2 80.6 -72.8 -1.1 22.4 -9.0 18.5 27 52 A A T 345S- 0 0 58 202,-0.3 -1,-0.3 203,-0.2 204,-0.1 0.826 125.4 -4.8 -67.7 -31.4 26.1 -9.5 17.4 28 53 A D T <45S- 0 0 89 -3,-1.4 -2,-0.2 2,-0.1 -1,-0.1 0.306 96.2-110.8-144.7 3.7 26.4 -5.7 17.1 29 54 A N T <5 + 0 0 96 -4,-2.0 -3,-0.2 1,-0.2 2,-0.1 0.594 66.9 149.6 70.8 12.1 22.9 -4.3 17.8 30 55 A T E < -B 25 0A 72 -5,-0.7 -5,-2.7 -6,-0.1 2,-0.4 -0.342 30.9-149.3 -77.1 158.4 22.5 -3.2 14.2 31 56 A Q E -B 24 0A 83 -7,-0.2 2,-0.4 -3,-0.1 -7,-0.2 -0.942 16.2-160.1-131.4 152.4 19.1 -3.1 12.5 32 57 A V E -B 23 0A 34 -9,-1.9 -9,-2.6 -2,-0.4 2,-0.4 -0.997 21.7-175.8-128.9 123.9 17.6 -3.6 9.1 33 59 A L E -B 22 0A 28 -2,-0.4 2,-0.4 -11,-0.2 -11,-0.2 -0.954 18.6-178.0-123.9 145.0 14.2 -2.0 8.5 34 60 A Y E S-B 21 0A 32 -13,-2.6 -13,-2.7 -2,-0.4 -2,-0.0 -0.967 91.5 -16.7-139.5 112.9 11.7 -2.1 5.6 35 61 A R S > S+ 0 0 89 -2,-0.4 3,-1.5 -15,-0.2 123,-0.1 0.882 91.3 161.9 52.7 39.2 8.6 -0.0 6.3 36 62 A G T 3 + 0 0 6 1,-0.3 122,-2.4 121,-0.1 123,-0.4 0.702 66.6 42.5 -63.7 -23.6 9.8 -0.4 9.9 37 63 A D T 3 S+ 0 0 101 119,-0.1 2,-0.3 120,-0.1 -1,-0.3 0.243 91.4 102.7-110.1 13.1 7.7 2.5 11.2 38 64 A E S < S- 0 0 68 -3,-1.5 2,-0.2 1,-0.0 120,-0.1 -0.723 74.8-113.7 -93.3 146.9 4.4 1.7 9.3 39 65 A R - 0 0 95 -2,-0.3 117,-0.2 117,-0.2 110,-0.2 -0.560 33.8-179.4 -81.5 142.8 1.6 -0.0 11.2 40 66 A F E -E 155 0B 2 115,-2.4 115,-1.8 -2,-0.2 2,-0.3 -0.978 37.1-101.0-137.1 147.8 0.5 -3.5 10.4 41 67 A P E -E 154 0B 14 0, 0.0 113,-0.3 0, 0.0 196,-0.2 -0.567 29.8-154.3 -69.0 128.2 -2.3 -5.7 11.9 42 68 A M > + 0 0 0 111,-2.4 3,-1.9 -2,-0.3 112,-0.1 0.816 23.1 172.0 -73.7 -34.9 -0.6 -8.1 14.3 43 69 A C G > S- 0 0 0 110,-0.5 3,-2.1 100,-0.5 4,-0.2 -0.277 72.6 -5.3 50.7-140.7 -3.2 -10.9 14.2 44 70 A G G > S+ 0 0 2 167,-0.3 3,-1.8 1,-0.3 4,-0.3 0.607 120.9 78.0 -57.9 -16.3 -1.8 -14.0 16.1 45 71 A T G X> S+ 0 0 0 -3,-1.9 3,-1.4 1,-0.3 4,-0.5 0.776 80.9 70.9 -66.4 -18.3 1.6 -12.5 16.7 46 72 A S H <> S+ 0 0 0 -3,-2.1 4,-1.8 1,-0.3 3,-0.3 0.683 78.2 79.6 -67.6 -17.3 -0.1 -10.5 19.5 47 73 A K H <> S+ 0 0 4 -3,-1.8 4,-2.6 1,-0.2 -1,-0.3 0.808 84.0 61.9 -62.8 -26.2 -0.4 -13.8 21.4 48 74 A V H <> S+ 0 0 2 -3,-1.4 4,-2.6 -4,-0.3 -1,-0.2 0.932 103.4 47.6 -64.5 -43.5 3.3 -13.3 22.4 49 75 A M H X S+ 0 0 2 -4,-0.5 4,-2.1 -3,-0.3 -2,-0.2 0.919 113.0 48.7 -65.1 -40.3 2.5 -10.1 24.2 50 76 A A H X S+ 0 0 0 -4,-1.8 4,-1.9 2,-0.2 -2,-0.2 0.943 113.5 45.4 -65.8 -46.6 -0.5 -11.7 26.1 51 77 A A H X S+ 0 0 0 -4,-2.6 4,-2.4 1,-0.2 -1,-0.2 0.917 113.1 51.2 -63.1 -41.6 1.5 -14.8 27.1 52 78 A A H X S+ 0 0 0 -4,-2.6 4,-2.3 -5,-0.2 -1,-0.2 0.869 107.2 53.6 -62.6 -37.1 4.4 -12.6 28.2 53 79 A A H X S+ 0 0 2 -4,-2.1 4,-2.2 2,-0.2 -1,-0.2 0.893 109.7 47.4 -66.1 -39.6 2.1 -10.4 30.3 54 80 A V H X S+ 0 0 0 -4,-1.9 4,-2.1 2,-0.2 -2,-0.2 0.908 109.8 53.5 -67.5 -39.7 0.8 -13.4 32.1 55 81 A L H X S+ 0 0 1 -4,-2.4 4,-0.6 2,-0.2 -2,-0.2 0.912 107.4 52.0 -59.4 -40.8 4.3 -14.7 32.7 56 82 A K H >< S+ 0 0 68 -4,-2.3 3,-1.4 1,-0.2 4,-0.4 0.942 108.7 49.8 -61.9 -43.4 5.1 -11.2 34.2 57 83 A Q H >< S+ 0 0 58 -4,-2.2 3,-1.4 1,-0.3 4,-0.4 0.859 103.3 61.8 -60.9 -36.5 2.2 -11.6 36.6 58 84 A S H 3< S+ 0 0 11 -4,-2.1 3,-0.3 1,-0.3 -1,-0.3 0.660 85.6 75.7 -66.6 -15.8 3.4 -15.1 37.5 59 85 A E T << S+ 0 0 68 -3,-1.4 -1,-0.3 -4,-0.6 -2,-0.2 0.804 107.2 32.0 -65.8 -29.1 6.6 -13.6 38.9 60 86 A T S < S+ 0 0 127 -3,-1.4 2,-0.3 -4,-0.4 -1,-0.2 0.369 121.2 53.7-109.0 4.1 4.7 -12.4 41.9 61 87 A Q > - 0 0 90 -4,-0.4 3,-1.8 -3,-0.3 4,-0.4 -0.797 63.4-171.9-138.7 90.6 2.2 -15.4 42.0 62 88 A K T 3 S+ 0 0 93 -2,-0.3 3,-0.1 1,-0.3 -1,-0.1 0.647 88.0 44.0 -58.3 -20.2 4.1 -18.7 42.0 63 89 A Q T > S+ 0 0 127 1,-0.1 3,-1.4 2,-0.1 4,-0.4 0.389 82.7 100.0-105.6 0.2 0.8 -20.7 41.5 64 90 A L G X S+ 0 0 2 -3,-1.8 3,-2.0 1,-0.3 29,-0.5 0.901 79.3 54.5 -54.0 -46.7 -0.7 -18.4 38.8 65 91 A L G 3 S+ 0 0 33 -4,-0.4 29,-2.4 1,-0.3 30,-0.4 0.676 106.4 53.9 -65.7 -14.9 0.2 -20.7 35.9 66 92 A N G < S+ 0 0 93 -3,-1.4 -1,-0.3 26,-0.2 -2,-0.2 0.428 79.1 122.7 -96.8 0.2 -1.5 -23.6 37.7 67 93 A Q < - 0 0 79 -3,-2.0 26,-1.0 -4,-0.4 2,-0.5 -0.470 63.4-127.9 -65.2 127.5 -4.8 -21.7 38.1 68 94 A P E -F 92 0C 91 0, 0.0 2,-0.4 0, 0.0 24,-0.3 -0.674 21.5-160.0 -82.9 121.0 -7.7 -23.7 36.5 69 95 A V E -F 91 0C 33 22,-3.3 22,-1.9 -2,-0.5 2,-0.2 -0.853 20.3-119.5-102.1 131.0 -9.7 -21.6 34.0 70 96 A E E -F 90 0C 105 -2,-0.4 2,-0.6 20,-0.2 20,-0.2 -0.482 19.9-156.8 -69.9 133.4 -13.2 -22.8 33.1 71 97 A I E -F 89 0C 0 18,-2.3 17,-2.8 15,-0.4 18,-0.7 -0.951 15.4-171.2-113.5 110.0 -13.8 -23.5 29.4 72 98 A K >> - 0 0 81 -2,-0.6 3,-1.8 15,-0.2 4,-0.6 -0.682 36.5-111.8 -99.9 156.0 -17.5 -23.3 28.5 73 99 A P G >4 S+ 0 0 72 0, 0.0 3,-1.3 0, 0.0 -1,-0.1 0.887 118.9 55.5 -51.5 -40.7 -19.1 -24.3 25.3 74 100 A A G 34 S+ 0 0 94 1,-0.3 -3,-0.0 -3,-0.0 13,-0.0 0.690 94.5 69.7 -66.7 -19.7 -19.9 -20.6 24.6 75 101 A D G <4 S+ 0 0 44 -3,-1.8 -1,-0.3 8,-0.1 35,-0.1 0.694 74.9 103.4 -71.2 -21.9 -16.2 -19.7 24.9 76 102 A L << + 0 0 54 -3,-1.3 2,-0.1 -4,-0.6 4,-0.0 -0.404 48.0 174.0 -65.8 140.1 -15.3 -21.5 21.7 77 103 A V - 0 0 49 -2,-0.1 3,-0.2 64,-0.0 -1,-0.1 -0.002 51.1 -52.6-118.0-134.9 -14.6 -19.3 18.8 78 104 A N S S+ 0 0 106 1,-0.3 2,-0.3 -2,-0.1 -2,-0.1 0.652 122.6 24.4 -87.8 -20.0 -13.4 -19.9 15.2 79 105 A Y + 0 0 114 1,-0.0 27,-2.9 25,-0.0 28,-0.5 -0.818 63.6 143.3-152.7 103.5 -10.2 -21.8 15.9 80 106 A N > + 0 0 16 -2,-0.3 4,-2.1 25,-0.2 5,-0.2 -0.420 4.6 160.0-143.6 60.4 -9.7 -23.8 19.1 81 107 A P T 4 S+ 0 0 34 0, 0.0 4,-0.1 0, 0.0 -1,-0.1 0.781 85.7 29.1 -58.4 -30.4 -7.8 -27.0 18.5 82 108 A I T >4 S+ 0 0 30 2,-0.1 3,-1.5 -3,-0.1 4,-0.4 0.870 117.4 53.4 -96.4 -49.0 -6.8 -27.4 22.1 83 109 A A G >4 S+ 0 0 0 1,-0.3 3,-1.9 2,-0.2 4,-0.3 0.825 97.3 67.5 -57.9 -34.7 -9.7 -25.7 24.0 84 110 A E G >< S+ 0 0 115 -4,-2.1 3,-0.8 1,-0.3 -1,-0.3 0.798 94.6 58.6 -58.4 -27.2 -12.3 -27.8 22.3 85 111 A K G < S+ 0 0 133 -3,-1.5 -1,-0.3 1,-0.2 -2,-0.2 0.687 108.9 45.2 -73.9 -18.7 -11.0 -30.9 24.1 86 112 A H G X S+ 0 0 50 -3,-1.9 3,-2.2 -4,-0.4 -15,-0.4 0.200 73.1 142.1-113.5 14.6 -11.6 -29.2 27.5 87 113 A V T < S+ 0 0 38 -3,-0.8 -15,-0.2 1,-0.3 3,-0.1 -0.306 78.9 18.1 -58.1 137.6 -15.1 -27.8 27.1 88 114 A N T 3 S+ 0 0 123 -17,-2.8 -1,-0.3 1,-0.3 2,-0.2 0.585 126.1 69.5 69.0 13.7 -17.0 -28.2 30.4 89 115 A G E < S-F 71 0C 30 -3,-2.2 -18,-2.3 -18,-0.7 -1,-0.3 -0.376 84.4 -98.8-130.9-150.1 -13.7 -28.7 32.0 90 116 A T E -F 70 0C 75 -20,-0.2 2,-0.3 -2,-0.2 -20,-0.2 -0.936 14.8-159.6-140.5 162.0 -10.7 -26.5 32.8 91 117 A M E -F 69 0C 1 -22,-1.9 -22,-3.3 -2,-0.3 2,-0.1 -0.986 27.3-121.4-136.6 141.4 -7.2 -25.5 31.5 92 118 A T E > -F 68 0C 29 -2,-0.3 4,-2.7 -24,-0.3 5,-0.2 -0.401 29.4-108.7 -76.8 163.5 -4.5 -23.9 33.6 93 119 A L H > S+ 0 0 0 -26,-1.0 4,-2.4 -29,-0.5 -28,-0.2 0.850 123.6 54.1 -61.6 -30.6 -3.0 -20.6 32.6 94 120 A A H > S+ 0 0 26 -29,-2.4 4,-2.8 2,-0.2 -1,-0.2 0.940 109.3 47.4 -66.0 -44.4 0.2 -22.5 31.6 95 121 A E H > S+ 0 0 88 -30,-0.4 4,-2.3 1,-0.2 -2,-0.2 0.898 113.1 48.8 -61.9 -39.3 -1.9 -24.8 29.4 96 122 A L H X S+ 0 0 0 -4,-2.7 4,-2.6 2,-0.2 -1,-0.2 0.895 111.2 49.9 -69.5 -37.7 -3.7 -21.7 27.9 97 123 A S H X S+ 0 0 0 -4,-2.4 4,-2.5 -5,-0.2 5,-0.3 0.942 112.7 46.3 -64.8 -47.6 -0.3 -20.0 27.2 98 124 A A H X S+ 0 0 21 -4,-2.8 4,-2.9 1,-0.2 5,-0.5 0.904 114.4 48.2 -62.0 -41.1 1.1 -23.1 25.5 99 125 A A H X S+ 0 0 4 -4,-2.3 6,-2.0 -5,-0.2 4,-1.7 0.928 112.8 47.7 -66.3 -44.5 -2.0 -23.5 23.4 100 126 A A H X S+ 0 0 0 -4,-2.6 4,-0.5 4,-0.3 -2,-0.2 0.926 121.6 35.7 -61.2 -45.0 -2.2 -19.9 22.4 101 127 A L H < S+ 0 0 2 -4,-2.5 108,-0.2 -5,-0.2 -2,-0.2 0.927 125.5 34.5 -76.8 -49.2 1.5 -19.8 21.4 102 128 A Q H < S+ 0 0 35 -4,-2.9 87,-2.0 -5,-0.3 88,-0.3 0.729 135.8 20.5 -85.3 -21.0 2.2 -23.2 20.0 103 129 A Y H < S- 0 0 93 -4,-1.7 -3,-0.2 -5,-0.5 -2,-0.2 0.396 95.7-124.0-123.5 -4.7 -1.2 -23.9 18.3 104 130 A S < - 0 0 17 -4,-0.5 -4,-0.3 -5,-0.5 2,-0.2 0.801 40.3-175.5 61.0 31.9 -2.5 -20.4 17.9 105 131 A D > - 0 0 0 -6,-2.0 4,-1.8 1,-0.2 -25,-0.2 -0.405 15.5-158.7 -62.3 121.1 -5.7 -21.4 19.9 106 132 A N H > S+ 0 0 10 -27,-2.9 4,-2.0 -2,-0.2 34,-0.3 0.821 90.0 52.7 -75.2 -33.7 -8.1 -18.4 19.9 107 133 A T H > S+ 0 0 1 -28,-0.5 4,-1.7 2,-0.2 -1,-0.2 0.919 109.3 51.7 -66.4 -41.4 -10.1 -19.5 22.9 108 134 A A H > S+ 0 0 0 1,-0.2 4,-1.9 2,-0.2 3,-0.2 0.933 108.1 51.3 -60.2 -45.0 -6.8 -19.8 24.8 109 135 A M H X S+ 0 0 0 -4,-1.8 4,-2.8 1,-0.2 -1,-0.2 0.926 106.2 54.9 -58.1 -42.5 -5.8 -16.3 23.8 110 136 A N H X S+ 0 0 35 -4,-2.0 4,-2.4 1,-0.2 -1,-0.2 0.864 106.3 51.4 -61.3 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