==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=21-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE/HYDROLASE INHIBITOR 01-FEB-09 3G31 . COMPND 2 MOLECULE: BETA-LACTAMASE CTX-M-9A; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR Y.CHEN,B.K.SHOICHET . 523 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 21492.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 377 72.1 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 . 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 . 9 1.7 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 . 169 32.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 10 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 4 2 6 3 1 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 90 0, 0.0 2,-0.1 0, 0.0 3,-0.0 0.000 360.0 360.0 360.0 104.9 18.6 73.8 1.0 2 27 A S > - 0 0 51 1,-0.1 4,-2.0 410,-0.0 5,-0.1 -0.434 360.0-106.0 -90.2 170.2 20.6 70.6 1.4 3 28 A A H > S+ 0 0 55 2,-0.2 4,-2.0 1,-0.2 5,-0.2 0.883 124.0 54.6 -57.4 -41.3 20.9 67.7 -1.1 4 29 A V H > S+ 0 0 21 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.921 105.6 50.2 -62.5 -46.0 18.7 65.8 1.4 5 30 A Q H > S+ 0 0 58 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.882 110.0 51.7 -59.8 -38.7 16.0 68.5 1.3 6 31 A Q H X S+ 0 0 102 -4,-2.0 4,-1.7 2,-0.2 -1,-0.2 0.865 110.0 48.5 -66.3 -35.5 16.1 68.5 -2.5 7 32 A K H X S+ 0 0 92 -4,-2.0 4,-2.4 2,-0.2 -2,-0.2 0.927 112.2 48.5 -67.7 -45.0 15.6 64.7 -2.6 8 33 A L H X S+ 0 0 0 -4,-2.6 4,-2.7 1,-0.2 -2,-0.2 0.879 109.4 53.7 -61.9 -37.0 12.7 64.9 -0.1 9 34 A A H X S+ 0 0 31 -4,-2.2 4,-2.3 2,-0.2 -1,-0.2 0.902 108.9 48.8 -62.5 -40.0 11.2 67.7 -2.3 10 35 A A H X S+ 0 0 60 -4,-1.7 4,-1.5 2,-0.2 -2,-0.2 0.891 111.4 49.5 -67.7 -40.5 11.4 65.4 -5.4 11 36 A L H X S+ 0 0 33 -4,-2.4 4,-0.7 2,-0.2 -2,-0.2 0.939 111.3 49.9 -61.8 -46.5 9.8 62.6 -3.4 12 37 A E H >X S+ 0 0 7 -4,-2.7 3,-1.1 1,-0.2 4,-0.8 0.923 107.2 53.7 -59.9 -46.7 7.0 64.9 -2.2 13 38 A K H 3< S+ 0 0 166 -4,-2.3 3,-0.3 1,-0.3 -1,-0.2 0.835 113.4 42.2 -59.2 -35.1 6.3 66.2 -5.8 14 39 A S H 3< S+ 0 0 112 -4,-1.5 -1,-0.3 -3,-0.2 -2,-0.2 0.531 105.3 67.5 -88.7 -4.5 5.8 62.7 -7.1 15 40 A S H << S- 0 0 6 -3,-1.1 -2,-0.2 -4,-0.7 -1,-0.2 0.647 95.0-132.3 -89.8 -19.6 3.8 61.6 -4.0 16 41 A G S < S+ 0 0 54 -4,-0.8 2,-0.1 -3,-0.3 -3,-0.1 0.279 76.5 69.9 82.0 -9.6 0.7 63.7 -4.6 17 42 A G S S- 0 0 17 -5,-0.5 2,-0.5 222,-0.1 -1,-0.3 -0.384 88.3 -83.0-124.6-159.0 0.7 64.9 -1.0 18 43 A R E -A 238 0A 68 220,-3.1 220,-1.8 -2,-0.1 2,-0.4 -0.960 37.6-161.9-118.5 126.7 2.5 66.9 1.6 19 44 A L E -A 237 0A 0 -2,-0.5 2,-0.4 218,-0.2 218,-0.2 -0.864 6.9-171.3-113.5 137.8 5.5 65.5 3.5 20 45 A G E +A 236 0A 0 216,-2.7 216,-3.0 -2,-0.4 2,-0.4 -0.999 10.1 178.8-128.8 132.8 7.1 66.6 6.8 21 46 A V E +AB 235 34A 0 13,-2.6 13,-2.7 -2,-0.4 2,-0.4 -0.993 11.2 178.0-135.9 138.5 10.4 65.3 8.1 22 47 A A E -AB 234 33A 1 212,-2.0 212,-2.3 -2,-0.4 2,-0.4 -0.943 5.6-176.7-141.4 121.7 12.5 65.9 11.2 23 48 A L E -AB 233 32A 7 9,-2.8 9,-1.6 -2,-0.4 2,-0.5 -0.950 6.8-169.0-110.3 136.1 15.7 64.1 12.1 24 49 A I E -AB 232 31A 4 208,-2.6 208,-2.2 -2,-0.4 2,-0.7 -0.999 7.7-159.7-116.9 124.9 17.8 64.6 15.2 25 50 A D E >>> -AB 231 30A 6 5,-2.8 4,-2.0 -2,-0.5 3,-1.4 -0.914 1.4-163.6-101.0 108.2 21.2 63.0 15.1 26 51 A T T 345S+ 0 0 26 204,-1.9 205,-0.1 -2,-0.7 -1,-0.1 0.485 80.1 80.4 -74.4 -1.0 22.3 62.7 18.8 27 52 A A T 345S- 0 0 58 202,-0.3 -1,-0.3 203,-0.2 204,-0.1 0.868 125.9 -4.4 -63.8 -35.6 25.9 62.1 17.6 28 53 A D T <45S- 0 0 93 -3,-1.4 -2,-0.2 2,-0.2 -1,-0.1 0.288 95.6-115.6-140.7 3.1 26.2 65.9 17.2 29 54 A N T <5 + 0 0 92 -4,-2.0 -3,-0.2 1,-0.2 2,-0.1 0.584 65.1 148.1 61.9 16.9 22.6 67.1 17.9 30 55 A T E < -B 25 0A 75 -5,-0.7 -5,-2.8 -6,-0.1 2,-0.3 -0.401 33.8-146.8 -77.0 156.8 22.3 68.4 14.3 31 56 A Q E -B 24 0A 83 -7,-0.2 2,-0.4 -2,-0.1 -7,-0.2 -0.931 13.8-158.1-128.9 145.3 18.9 68.3 12.7 32 57 A V E -B 23 0A 38 -9,-1.6 -9,-2.8 -2,-0.3 2,-0.4 -1.000 24.1-174.7-118.8 125.1 17.6 67.8 9.2 33 59 A L E -B 22 0A 30 -2,-0.4 2,-0.4 -11,-0.2 -11,-0.2 -0.948 20.6-178.8-123.8 140.8 14.1 69.4 8.6 34 60 A Y E S-B 21 0A 27 -13,-2.7 -13,-2.6 -2,-0.4 4,-0.1 -0.953 92.3 -16.0-135.3 114.3 11.6 69.3 5.7 35 61 A R S > S+ 0 0 85 -2,-0.4 3,-1.4 -15,-0.2 123,-0.1 0.913 91.3 163.2 52.8 41.0 8.5 71.3 6.5 36 62 A G T 3 + 0 0 6 1,-0.3 122,-2.6 121,-0.1 123,-0.4 0.730 67.4 41.3 -63.1 -27.1 9.8 71.0 10.0 37 63 A D T 3 S+ 0 0 101 120,-0.2 2,-0.4 119,-0.1 -1,-0.3 0.174 91.5 103.6-108.8 13.1 7.6 73.9 11.4 38 64 A E S < S- 0 0 67 -3,-1.4 2,-0.2 -4,-0.1 120,-0.1 -0.777 73.3-117.2 -94.8 144.1 4.4 73.0 9.5 39 65 A R - 0 0 92 -2,-0.4 117,-0.2 117,-0.2 110,-0.2 -0.529 31.9-179.0 -81.4 144.7 1.6 71.3 11.4 40 66 A F E -E 155 0B 2 115,-2.7 115,-2.0 -2,-0.2 2,-0.3 -0.979 37.3 -99.4-135.8 150.3 0.4 67.8 10.5 41 67 A P E -E 154 0B 13 0, 0.0 113,-0.3 0, 0.0 196,-0.2 -0.543 30.6-153.8 -70.0 127.2 -2.4 65.7 12.0 42 68 A M > + 0 0 1 111,-2.3 3,-1.8 -2,-0.3 112,-0.1 0.786 21.4 175.2 -73.0 -32.7 -0.8 63.2 14.3 43 69 A C G > S- 0 0 0 110,-0.5 3,-2.2 100,-0.5 4,-0.2 -0.237 73.2 -8.4 46.9-136.8 -3.3 60.4 14.2 44 70 A S G > S+ 0 0 7 167,-0.3 3,-1.8 1,-0.3 4,-0.3 0.616 119.6 81.6 -66.6 -10.8 -2.1 57.4 16.2 45 71 A T G X S+ 0 0 0 -3,-1.8 3,-1.3 1,-0.3 4,-0.4 0.776 79.6 71.5 -61.5 -21.3 1.4 58.9 16.7 46 72 A S G <> S+ 0 0 1 -3,-2.2 4,-1.7 1,-0.2 3,-0.4 0.704 76.9 80.2 -64.9 -19.1 -0.3 60.9 19.6 47 73 A K H <> S+ 0 0 0 -3,-1.8 4,-2.7 1,-0.2 -1,-0.2 0.815 83.4 62.4 -59.3 -29.4 -0.4 57.6 21.5 48 74 A V H <> S+ 0 0 3 -3,-1.3 4,-2.6 -4,-0.3 -1,-0.2 0.941 103.7 46.3 -60.1 -46.4 3.2 58.1 22.5 49 75 A M H > S+ 0 0 3 -4,-0.4 4,-2.1 -3,-0.4 -2,-0.2 0.866 114.3 48.4 -65.8 -36.3 2.4 61.3 24.4 50 76 A A H X S+ 0 0 0 -4,-1.7 4,-2.2 2,-0.2 5,-0.2 0.948 113.5 46.0 -70.0 -47.1 -0.6 59.6 26.2 51 77 A A H X S+ 0 0 0 -4,-2.7 4,-2.3 1,-0.2 -2,-0.2 0.920 113.8 50.0 -58.3 -43.9 1.4 56.6 27.1 52 78 A A H X S+ 0 0 0 -4,-2.6 4,-2.3 -5,-0.2 -1,-0.2 0.867 107.5 53.9 -63.3 -40.4 4.3 58.8 28.3 53 79 A A H X S+ 0 0 3 -4,-2.1 4,-2.2 2,-0.2 -1,-0.2 0.901 109.1 48.3 -62.0 -41.6 2.0 61.0 30.4 54 80 A V H X S+ 0 0 0 -4,-2.2 4,-2.1 2,-0.2 -2,-0.2 0.918 109.2 53.2 -64.8 -41.7 0.7 57.9 32.2 55 81 A L H X S+ 0 0 1 -4,-2.3 4,-0.6 1,-0.2 -2,-0.2 0.919 107.1 53.0 -57.5 -40.1 4.3 56.7 32.8 56 82 A K H >< S+ 0 0 67 -4,-2.3 3,-1.4 1,-0.2 4,-0.4 0.933 107.4 50.6 -61.6 -46.1 4.9 60.1 34.3 57 83 A Q H >X S+ 0 0 53 -4,-2.2 3,-1.6 1,-0.3 4,-0.7 0.879 102.4 62.3 -56.0 -37.8 2.0 59.7 36.7 58 84 A S H 3< S+ 0 0 11 -4,-2.1 -1,-0.3 1,-0.3 6,-0.2 0.675 86.5 74.2 -65.4 -17.7 3.4 56.3 37.7 59 85 A E T << S+ 0 0 70 -3,-1.4 -1,-0.3 -4,-0.6 -2,-0.2 0.763 109.5 30.1 -64.2 -26.2 6.5 58.0 39.0 60 86 A T T <4 S+ 0 0 126 -3,-1.6 2,-0.3 -4,-0.4 -1,-0.2 0.393 122.6 52.9-116.2 -1.8 4.5 59.1 42.0 61 87 A Q >< - 0 0 90 -4,-0.7 3,-2.0 1,-0.1 4,-0.3 -0.816 67.4-171.4-130.0 94.4 2.1 56.2 42.0 62 88 A K T 3 S+ 0 0 191 -2,-0.3 3,-0.3 1,-0.3 -1,-0.1 0.778 85.9 43.0 -57.6 -31.6 4.2 53.0 42.1 63 89 A Q T > S+ 0 0 126 1,-0.2 3,-1.8 2,-0.1 4,-0.4 0.346 81.3 107.8 -96.9 5.8 1.2 50.7 41.5 64 90 A L G X S+ 0 0 3 -3,-2.0 3,-1.8 1,-0.3 29,-0.5 0.855 72.7 57.4 -53.7 -42.4 -0.5 52.8 38.8 65 91 A L G 3 S+ 0 0 33 -4,-0.3 29,-2.5 -3,-0.3 30,-0.4 0.676 105.3 53.2 -68.6 -15.0 0.4 50.5 35.9 66 92 A N G < S+ 0 0 104 -3,-1.8 -1,-0.3 27,-0.2 -2,-0.2 0.465 81.3 118.6 -93.4 -5.0 -1.4 47.6 37.7 67 93 A Q < - 0 0 75 -3,-1.8 26,-1.4 -4,-0.4 2,-0.2 -0.449 64.1-127.1 -63.8 129.3 -4.6 49.7 38.2 68 94 A P E -F 92 0C 81 0, 0.0 2,-0.4 0, 0.0 24,-0.2 -0.488 18.9-161.6 -82.0 149.9 -7.6 48.0 36.4 69 95 A V E -F 91 0C 27 22,-2.1 22,-2.0 -2,-0.2 2,-0.2 -0.999 22.2-120.0-129.7 127.4 -9.9 49.8 33.9 70 96 A E E -F 90 0C 122 -2,-0.4 2,-0.6 20,-0.2 20,-0.2 -0.467 19.7-156.4 -67.1 132.8 -13.3 48.6 33.0 71 97 A I E -F 89 0C 0 18,-2.5 17,-2.7 15,-0.4 18,-0.6 -0.961 15.2-172.2-111.7 114.3 -13.9 47.8 29.3 72 98 A K >> - 0 0 83 -2,-0.6 3,-1.6 15,-0.2 4,-0.6 -0.748 35.8-116.3-106.4 153.3 -17.5 48.0 28.4 73 99 A P G >4 S+ 0 0 73 0, 0.0 3,-1.1 0, 0.0 -1,-0.1 0.885 118.0 54.8 -52.5 -40.4 -19.2 47.0 25.1 74 100 A A G 34 S+ 0 0 98 1,-0.2 -3,-0.0 -3,-0.0 0, 0.0 0.706 98.7 66.3 -65.8 -20.2 -20.2 50.6 24.5 75 101 A D G <4 S+ 0 0 49 -3,-1.6 -1,-0.2 2,-0.0 2,-0.1 0.703 75.2 105.4 -72.7 -26.0 -16.5 51.7 24.9 76 102 A L << + 0 0 51 -3,-1.1 2,-0.1 -4,-0.6 4,-0.1 -0.359 47.4 178.9 -65.0 133.1 -15.3 49.9 21.8 77 103 A V - 0 0 44 -2,-0.1 3,-0.2 2,-0.1 -1,-0.1 0.074 48.7 -53.6-109.2-134.8 -14.5 52.2 18.9 78 104 A N S S+ 0 0 100 1,-0.3 2,-0.2 -2,-0.1 -2,-0.1 0.405 121.5 26.4 -97.7 -0.6 -13.2 51.5 15.3 79 105 A Y + 0 0 120 1,-0.0 27,-3.1 0, 0.0 28,-0.6 -0.647 62.6 148.8-165.9 97.4 -10.1 49.5 15.9 80 106 A N > + 0 0 7 25,-0.2 4,-2.1 -3,-0.2 5,-0.2 -0.429 1.6 156.4-138.2 54.4 -9.8 47.5 19.1 81 107 A P T 4 S+ 0 0 46 0, 0.0 -1,-0.1 0, 0.0 4,-0.1 0.799 87.2 25.4 -60.6 -29.7 -7.7 44.3 18.4 82 108 A I T >4 S+ 0 0 34 -3,-0.1 3,-1.8 2,-0.1 4,-0.5 0.859 118.2 55.5 -97.6 -50.8 -6.9 44.0 22.2 83 109 A A G >4 S+ 0 0 0 1,-0.3 3,-1.7 2,-0.2 4,-0.4 0.841 98.2 65.8 -53.3 -36.8 -9.8 45.7 24.0 84 110 A E G 3< S+ 0 0 114 -4,-2.1 3,-0.5 1,-0.3 -1,-0.3 0.764 96.0 57.2 -57.7 -26.6 -12.3 43.4 22.2 85 111 A K G < S+ 0 0 144 -3,-1.8 -1,-0.3 1,-0.2 -2,-0.2 0.716 111.9 41.4 -74.6 -20.7 -10.8 40.4 24.1 86 112 A H S X S+ 0 0 52 -3,-1.7 3,-2.1 -4,-0.5 -15,-0.4 0.181 74.8 140.7-119.4 11.4 -11.5 42.1 27.4 87 113 A V T 3 S+ 0 0 35 -3,-0.5 -15,-0.2 -4,-0.4 3,-0.1 -0.314 77.2 21.0 -59.0 144.5 -15.0 43.6 27.0 88 114 A N T 3 S+ 0 0 117 -17,-2.7 -1,-0.3 1,-0.3 2,-0.2 0.539 124.9 67.5 64.2 10.9 -17.1 43.2 30.2 89 115 A G E < S-F 71 0C 31 -3,-2.1 -18,-2.5 -18,-0.6 -1,-0.3 -0.400 86.6 -98.0-128.5-153.1 -13.8 42.7 32.1 90 116 A T E -F 70 0C 71 -20,-0.2 2,-0.3 -2,-0.2 -20,-0.2 -0.905 16.6-156.6-132.4 161.6 -10.8 45.0 32.9 91 117 A M E -F 69 0C 0 -22,-2.0 -22,-2.1 -2,-0.3 2,-0.1 -0.985 25.4-120.3-132.8 148.2 -7.4 45.8 31.5 92 118 A T E > -F 68 0C 32 -2,-0.3 4,-2.9 -24,-0.2 5,-0.2 -0.416 29.0-109.7 -81.2 162.0 -4.5 47.3 33.6 93 119 A L H > S+ 0 0 0 -26,-1.4 4,-2.5 -29,-0.5 -27,-0.2 0.862 122.8 54.4 -60.6 -32.8 -3.0 50.7 32.6 94 120 A A H > S+ 0 0 26 -29,-2.5 4,-2.7 2,-0.2 5,-0.2 0.936 109.1 46.8 -61.0 -48.6 0.1 48.7 31.6 95 121 A E H > S+ 0 0 86 -30,-0.4 4,-2.6 1,-0.2 -2,-0.2 0.915 113.9 47.9 -60.0 -44.7 -2.0 46.5 29.3 96 122 A L H X S+ 0 0 0 -4,-2.9 4,-2.7 2,-0.2 -1,-0.2 0.892 111.2 51.1 -61.9 -41.1 -3.7 49.5 27.8 97 123 A S H X S+ 0 0 0 -4,-2.5 4,-2.9 -5,-0.2 5,-0.2 0.956 113.5 44.2 -63.7 -48.9 -0.4 51.3 27.3 98 124 A A H X>S+ 0 0 19 -4,-2.7 4,-2.7 1,-0.2 5,-0.5 0.898 113.7 50.6 -62.2 -41.1 1.1 48.3 25.5 99 125 A A H X>S+ 0 0 4 -4,-2.6 6,-1.9 -5,-0.2 4,-1.6 0.932 113.8 45.2 -63.0 -45.3 -2.2 47.8 23.4 100 126 A A H X5S+ 0 0 0 -4,-2.7 4,-0.7 4,-0.3 -2,-0.2 0.951 121.6 37.1 -61.9 -48.6 -2.1 51.4 22.4 101 127 A L H <5S+ 0 0 1 -4,-2.9 108,-0.2 -5,-0.2 -2,-0.2 0.945 126.5 31.5 -72.3 -47.3 1.6 51.5 21.5 102 128 A Q H <5S+ 0 0 33 -4,-2.7 87,-2.1 -5,-0.2 88,-0.3 0.707 134.7 23.1 -92.2 -25.3 2.2 48.1 20.0 103 129 A Y H < - 0 0 0 -6,-1.9 4,-1.9 1,-0.2 -25,-0.2 -0.517 15.4-159.7 -69.8 118.8 -5.7 49.9 19.8 106 132 A N H > S+ 0 0 10 -27,-3.1 4,-1.9 -2,-0.4 34,-0.3 0.821 89.6 52.5 -72.8 -33.7 -8.0 52.9 19.7 107 133 A T H > S+ 0 0 1 -28,-0.6 4,-1.7 2,-0.2 -1,-0.2 0.902 108.2 52.8 -64.8 -41.2 -10.2 51.9 22.7 108 134 A A H > S+ 0 0 0 1,-0.2 4,-2.2 2,-0.2 3,-0.3 0.941 106.8 52.7 -62.2 -43.3 -6.9 51.6 24.8 109 135 A M H X S+ 0 0 0 -4,-1.9 4,-2.7 1,-0.2 -1,-0.2 0.918 105.4 54.5 -54.7 -46.0 -6.0 55.1 23.7 110 136 A N H X S+ 0 0 31 -4,-1.9 4,-2.4 1,-0.2 -1,-0.2 0.868 107.5 50.6 -58.8 -34.8 -9.4 56.4 24.9 111 137 A K H X S+ 0 0 37 -4,-1.7 4,-2.3 -3,-0.3 -1,-0.2 0.885 109.3 50.0 -69.9 -39.9 -8.7 54.8 28.3 112 138 A L H X S+ 0 0 0 -4,-2.2 4,-1.0 2,-0.2 -2,-0.2 0.939 111.0 49.8 -61.6 -45.0 -5.3 56.5 28.5 113 139 A I H ><>S+ 0 0 2 -4,-2.7 5,-2.9 1,-0.2 3,-0.7 0.921 110.2 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