==== 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 3G2Y . COMPND 2 MOLECULE: BETA-LACTAMASE CTX-M-9A; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR Y.CHEN,B.K.SHOICHET . 524 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 21519.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 378 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 15.6 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 . 81 15.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 167 31.9 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 25 A X 0 0 111 0, 0.0 2,-0.5 0, 0.0 411,-0.0 0.000 360.0 360.0 360.0 154.9 19.6 77.1 2.7 2 26 A T - 0 0 65 4,-0.0 2,-0.1 3,-0.0 0, 0.0 -0.957 360.0-152.9-110.4 120.9 18.5 74.0 1.0 3 27 A S > - 0 0 49 -2,-0.5 4,-2.4 1,-0.1 5,-0.2 -0.379 30.2-105.7 -85.4 168.0 20.6 70.9 1.6 4 28 A A H > S+ 0 0 53 2,-0.2 4,-2.1 1,-0.2 5,-0.1 0.895 124.3 50.6 -58.6 -42.1 21.1 67.9 -0.7 5 29 A V H > S+ 0 0 21 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.919 109.7 49.4 -62.5 -45.2 18.9 65.9 1.7 6 30 A Q H > S+ 0 0 48 1,-0.2 4,-2.2 2,-0.2 -2,-0.2 0.883 109.8 52.2 -61.6 -38.5 16.2 68.6 1.6 7 31 A Q H X S+ 0 0 98 -4,-2.4 4,-1.9 2,-0.2 -1,-0.2 0.897 110.0 48.4 -62.8 -41.8 16.3 68.6 -2.2 8 32 A K H X S+ 0 0 95 -4,-2.1 4,-2.4 2,-0.2 -2,-0.2 0.911 110.9 50.3 -65.3 -42.6 15.9 64.8 -2.3 9 33 A L H X S+ 0 0 0 -4,-2.5 4,-2.7 1,-0.2 -2,-0.2 0.877 108.8 53.0 -62.8 -37.8 12.9 65.1 0.1 10 34 A A H X S+ 0 0 34 -4,-2.2 4,-2.5 2,-0.2 -1,-0.2 0.896 109.2 48.6 -63.6 -40.4 11.4 67.8 -2.1 11 35 A A H X S+ 0 0 57 -4,-1.9 4,-1.9 2,-0.2 -2,-0.2 0.903 111.8 49.4 -66.0 -42.1 11.6 65.5 -5.1 12 36 A L H X S+ 0 0 29 -4,-2.4 4,-1.0 2,-0.2 -2,-0.2 0.942 111.8 49.3 -58.4 -48.5 10.1 62.6 -3.2 13 37 A E H >X S+ 0 0 18 -4,-2.7 4,-0.9 1,-0.2 3,-0.8 0.919 108.1 53.4 -58.9 -44.6 7.3 64.9 -2.1 14 38 A K H >< S+ 0 0 187 -4,-2.5 3,-0.5 1,-0.3 -1,-0.2 0.902 111.8 44.5 -58.6 -42.6 6.7 66.2 -5.6 15 39 A S H 3< S+ 0 0 108 -4,-1.9 -1,-0.3 1,-0.2 -2,-0.2 0.625 106.4 63.7 -74.7 -14.3 6.3 62.6 -6.9 16 40 A S H << S- 0 0 10 -4,-1.0 -1,-0.2 -3,-0.8 -2,-0.2 0.708 94.5-135.0 -85.4 -24.4 4.0 61.6 -4.0 17 41 A G S << S+ 0 0 62 -4,-0.9 -3,-0.1 -3,-0.5 -4,-0.1 0.098 75.2 74.5 88.7 -19.7 1.1 64.0 -4.7 18 42 A G S S- 0 0 15 -5,-0.3 2,-0.5 222,-0.1 -1,-0.3 -0.136 88.1 -82.7-113.0-160.5 1.0 65.0 -1.0 19 43 A R E -A 239 0A 69 220,-3.0 220,-2.0 -3,-0.1 2,-0.4 -0.964 38.4-161.8-119.2 126.3 2.7 67.0 1.7 20 44 A L E -A 238 0A 0 -2,-0.5 2,-0.4 218,-0.2 218,-0.2 -0.887 7.6-171.5-115.0 134.3 5.6 65.6 3.6 21 45 A G E +A 237 0A 0 216,-2.9 216,-3.1 -2,-0.4 2,-0.4 -0.995 9.9 177.7-125.8 131.9 7.1 66.7 6.9 22 46 A V E +AB 236 35A 0 13,-2.7 13,-2.6 -2,-0.4 2,-0.3 -0.993 10.7 177.9-134.6 137.9 10.4 65.4 8.3 23 47 A A E -AB 235 34A 1 212,-2.0 212,-2.5 -2,-0.4 2,-0.4 -0.944 6.7-176.7-139.3 125.6 12.5 66.1 11.4 24 48 A L E -AB 234 33A 6 9,-2.6 9,-1.5 -2,-0.3 2,-0.5 -0.949 8.7-169.8-114.4 135.7 15.7 64.2 12.2 25 49 A I E -AB 233 32A 1 208,-2.5 208,-2.4 -2,-0.4 2,-0.7 -0.994 8.9-160.0-118.1 121.6 17.8 64.7 15.4 26 50 A D E >>> -AB 232 31A 9 5,-2.5 4,-2.0 -2,-0.5 3,-1.2 -0.902 2.4-161.5 -97.8 110.9 21.2 62.9 15.2 27 51 A T T 345S+ 0 0 26 204,-2.1 205,-0.1 -2,-0.7 -1,-0.1 0.539 80.7 80.5 -75.7 -3.0 22.3 62.6 18.8 28 52 A A T 345S- 0 0 64 202,-0.3 -1,-0.3 203,-0.2 204,-0.1 0.860 125.9 -4.5 -62.2 -36.4 25.9 62.0 17.6 29 53 A D T <45S- 0 0 89 -3,-1.2 -2,-0.2 2,-0.1 -1,-0.1 0.302 95.4-115.5-138.5 1.5 26.2 65.8 17.2 30 54 A N T <5 + 0 0 91 -4,-2.0 -3,-0.2 1,-0.2 2,-0.0 0.565 65.3 148.5 65.8 13.1 22.6 67.1 18.1 31 55 A T E < -B 26 0A 73 -5,-0.6 -5,-2.5 -6,-0.1 2,-0.3 -0.310 33.9-144.0 -75.6 161.8 22.2 68.4 14.5 32 56 A Q E -B 25 0A 83 -7,-0.2 2,-0.4 -3,-0.1 -7,-0.2 -0.923 14.8-160.0-129.9 148.4 18.9 68.4 12.8 33 57 A V E -B 24 0A 35 -9,-1.5 -9,-2.6 -2,-0.3 2,-0.4 -0.998 23.0-175.6-125.2 124.8 17.5 67.9 9.3 34 59 A L E -B 23 0A 32 -2,-0.4 2,-0.4 -11,-0.2 -11,-0.2 -0.952 19.6-178.6-124.6 141.4 14.1 69.5 8.7 35 60 A Y E S-B 22 0A 27 -13,-2.6 -13,-2.7 -2,-0.4 4,-0.1 -0.955 91.3 -16.7-136.0 117.4 11.7 69.4 5.8 36 61 A R S > S+ 0 0 87 -2,-0.4 3,-1.7 -15,-0.2 123,-0.1 0.870 90.7 163.3 50.0 39.7 8.5 71.5 6.5 37 62 A G T 3 + 0 0 5 1,-0.3 122,-2.4 121,-0.1 123,-0.4 0.695 67.0 41.8 -63.9 -21.9 9.7 71.2 10.1 38 63 A D T 3 S+ 0 0 103 120,-0.1 2,-0.3 119,-0.1 -1,-0.3 0.216 91.1 103.9-112.7 13.1 7.5 74.0 11.3 39 64 A E S < S- 0 0 67 -3,-1.7 2,-0.2 -4,-0.1 120,-0.1 -0.719 73.9-114.4 -90.3 146.6 4.4 73.1 9.4 40 65 A R + 0 0 94 -2,-0.3 117,-0.2 117,-0.2 110,-0.2 -0.583 34.0 178.8 -82.4 143.5 1.5 71.5 11.3 41 66 A F E -E 156 0B 1 115,-2.4 115,-1.8 -2,-0.2 2,-0.3 -0.978 38.0-100.0-137.1 148.7 0.3 68.0 10.4 42 67 A P E -E 155 0B 11 0, 0.0 113,-0.3 0, 0.0 196,-0.2 -0.553 29.0-153.4 -69.3 131.2 -2.4 65.8 12.0 43 68 A M > + 0 0 1 111,-2.4 3,-1.8 -2,-0.3 112,-0.1 0.801 22.8 174.8 -75.9 -31.7 -0.7 63.4 14.4 44 69 A C G > S- 0 0 0 110,-0.5 3,-1.9 100,-0.5 -1,-0.2 -0.276 71.9 -9.0 49.1-138.6 -3.3 60.6 14.2 45 70 A S G > S+ 0 0 8 167,-0.4 3,-1.8 1,-0.3 4,-0.3 0.586 119.6 82.0 -67.6 -7.5 -2.1 57.6 16.3 46 71 A T G X S+ 0 0 0 -3,-1.8 3,-1.4 1,-0.3 4,-0.5 0.776 78.9 72.0 -65.0 -18.5 1.3 59.0 16.9 47 72 A S G <> S+ 0 0 1 -3,-1.9 4,-1.8 1,-0.3 3,-0.4 0.680 76.2 80.2 -67.6 -16.5 -0.3 60.9 19.7 48 73 A K H <> S+ 0 0 0 -3,-1.8 4,-2.5 1,-0.2 -1,-0.3 0.810 84.5 61.5 -59.8 -29.7 -0.6 57.6 21.6 49 74 A V H <> S+ 0 0 3 -3,-1.4 4,-2.5 -4,-0.3 -1,-0.2 0.926 104.0 46.9 -62.0 -46.1 3.1 58.1 22.6 50 75 A M H > S+ 0 0 3 -4,-0.5 4,-2.1 -3,-0.4 -2,-0.2 0.891 113.3 49.0 -65.0 -38.9 2.3 61.4 24.4 51 76 A A H X S+ 0 0 0 -4,-1.8 4,-1.7 2,-0.2 -2,-0.2 0.932 113.1 45.6 -67.2 -45.6 -0.7 59.8 26.2 52 77 A A H X S+ 0 0 0 -4,-2.5 4,-2.4 1,-0.2 -2,-0.2 0.918 113.3 51.1 -63.0 -40.8 1.3 56.7 27.3 53 78 A A H X S+ 0 0 0 -4,-2.5 4,-2.4 -5,-0.2 -1,-0.2 0.885 106.5 54.2 -63.9 -37.6 4.2 58.9 28.4 54 79 A A H X S+ 0 0 3 -4,-2.1 4,-2.0 2,-0.2 -1,-0.2 0.886 109.4 47.7 -65.2 -38.0 1.9 61.1 30.5 55 80 A V H X S+ 0 0 0 -4,-1.7 4,-2.1 2,-0.2 -2,-0.2 0.894 109.2 54.0 -69.4 -39.7 0.6 58.1 32.3 56 81 A L H X S+ 0 0 1 -4,-2.4 4,-0.7 2,-0.2 -2,-0.2 0.917 106.8 52.5 -57.1 -42.6 4.2 56.9 32.9 57 82 A K H >< S+ 0 0 66 -4,-2.4 3,-1.3 1,-0.2 4,-0.4 0.934 108.1 50.0 -59.5 -46.4 4.8 60.4 34.4 58 83 A Q H >< S+ 0 0 55 -4,-2.0 3,-1.5 1,-0.2 4,-0.3 0.874 103.6 61.1 -56.8 -37.3 1.9 59.9 36.8 59 84 A S H >< S+ 0 0 11 -4,-2.1 3,-0.7 1,-0.3 -1,-0.2 0.679 84.9 77.5 -68.1 -16.1 3.3 56.5 37.7 60 85 A E T << S+ 0 0 68 -3,-1.3 -1,-0.3 -4,-0.7 -2,-0.2 0.783 105.6 33.2 -63.3 -26.5 6.4 58.1 39.0 61 86 A T T < S+ 0 0 128 -3,-1.5 2,-0.3 -4,-0.4 -1,-0.2 0.346 119.7 55.9-111.1 6.3 4.5 59.2 42.2 62 87 A Q X - 0 0 89 -3,-0.7 3,-1.9 -4,-0.3 4,-0.4 -0.799 62.2-169.8-139.7 93.3 2.2 56.1 42.3 63 88 A K T 3 S+ 0 0 188 -2,-0.3 3,-0.3 1,-0.3 -1,-0.1 0.772 89.7 42.8 -50.7 -34.3 4.1 52.8 42.3 64 89 A Q T > S+ 0 0 108 1,-0.2 3,-1.5 2,-0.1 4,-0.3 0.401 82.2 102.0 -97.1 1.7 1.0 50.8 41.7 65 90 A L G X S+ 0 0 2 -3,-1.9 3,-2.0 1,-0.3 29,-0.5 0.882 77.5 55.4 -57.9 -42.5 -0.6 53.0 39.0 66 91 A L G 3 S+ 0 0 32 -4,-0.4 29,-2.5 1,-0.3 30,-0.4 0.688 107.6 51.9 -67.1 -16.0 0.3 50.7 36.1 67 92 A N G < S+ 0 0 96 -3,-1.5 -1,-0.3 27,-0.2 -2,-0.2 0.391 82.5 120.7 -95.4 0.8 -1.4 47.8 37.8 68 93 A Q < - 0 0 79 -3,-2.0 26,-1.1 -4,-0.3 27,-0.1 -0.488 63.5-125.5 -70.0 126.6 -4.7 49.9 38.3 69 94 A P E -F 93 0C 81 0, 0.0 2,-0.4 0, 0.0 24,-0.2 -0.402 20.3-164.3 -74.9 150.0 -7.7 48.2 36.7 70 95 A V E -F 92 0C 28 22,-1.7 22,-2.0 -2,-0.1 2,-0.2 -0.998 23.6-121.2-131.9 126.9 -9.9 50.1 34.2 71 96 A E E -F 91 0C 122 -2,-0.4 2,-0.6 20,-0.2 20,-0.2 -0.474 18.7-155.3 -70.4 135.0 -13.3 48.7 33.3 72 97 A I E -F 90 0C 0 18,-2.5 17,-2.8 15,-0.4 18,-0.6 -0.952 16.4-173.8-112.2 110.1 -13.9 47.9 29.6 73 98 A K >> - 0 0 88 -2,-0.6 3,-1.8 15,-0.2 4,-0.6 -0.695 38.6-112.5-101.8 154.8 -17.6 48.1 28.8 74 99 A P G >4 S+ 0 0 73 0, 0.0 3,-1.0 0, 0.0 -1,-0.1 0.864 119.3 57.7 -49.5 -37.6 -19.2 47.1 25.4 75 100 A A G 34 S+ 0 0 95 1,-0.2 -3,-0.0 -3,-0.0 0, 0.0 0.674 95.9 64.8 -68.7 -19.3 -20.1 50.8 25.0 76 101 A D G <4 S+ 0 0 48 -3,-1.8 -1,-0.2 2,-0.0 35,-0.1 0.702 76.2 106.0 -76.3 -23.5 -16.4 51.8 25.3 77 102 A L << + 0 0 53 -3,-1.0 2,-0.1 -4,-0.6 4,-0.0 -0.376 46.7 176.4 -63.0 132.7 -15.4 50.0 22.1 78 103 A V - 0 0 47 -2,-0.1 3,-0.2 2,-0.0 -1,-0.1 0.020 50.6 -54.2-110.3-137.1 -14.7 52.3 19.1 79 104 A N S S+ 0 0 102 1,-0.2 2,-0.3 -2,-0.1 -2,-0.1 0.648 121.9 27.7 -88.8 -17.1 -13.5 51.6 15.6 80 105 A Y + 0 0 124 1,-0.0 27,-2.9 25,-0.0 28,-0.6 -0.806 61.5 148.8-152.3 103.8 -10.3 49.6 16.2 81 106 A N > + 0 0 16 -2,-0.3 4,-2.2 25,-0.2 5,-0.2 -0.395 2.5 156.6-138.7 53.8 -10.0 47.5 19.3 82 107 A P T 4 S+ 0 0 31 0, 0.0 -1,-0.1 0, 0.0 4,-0.1 0.766 86.5 24.5 -61.3 -28.1 -7.8 44.4 18.6 83 108 A I T >4 S+ 0 0 27 -3,-0.1 3,-1.6 2,-0.1 4,-0.4 0.845 119.5 54.3 -99.8 -49.2 -6.8 44.0 22.3 84 109 A A G >4 S+ 0 0 0 1,-0.3 3,-1.8 2,-0.2 4,-0.4 0.825 97.5 65.8 -59.6 -32.8 -9.7 45.7 24.2 85 110 A E G >< S+ 0 0 118 -4,-2.2 3,-0.5 1,-0.3 -1,-0.3 0.772 96.4 58.4 -61.9 -23.7 -12.4 43.6 22.6 86 111 A K G < S+ 0 0 146 -3,-1.6 -1,-0.3 -5,-0.2 -2,-0.2 0.679 109.6 43.1 -74.4 -18.7 -10.9 40.6 24.3 87 112 A H G X S+ 0 0 61 -3,-1.8 3,-1.8 -4,-0.4 -15,-0.4 0.246 77.4 140.8-118.5 10.5 -11.4 42.1 27.7 88 113 A V T < S+ 0 0 35 -3,-0.5 -15,-0.2 -4,-0.4 3,-0.1 -0.236 74.1 22.2 -55.5 142.6 -14.9 43.6 27.4 89 114 A N T 3 S+ 0 0 118 -17,-2.8 -1,-0.3 1,-0.3 2,-0.2 0.550 124.6 65.9 64.8 11.7 -17.0 43.2 30.6 90 115 A G E < S-F 72 0C 32 -3,-1.8 -18,-2.5 -18,-0.6 -1,-0.3 -0.457 87.4 -93.4-129.7-152.5 -13.7 42.8 32.4 91 116 A T E -F 71 0C 71 -20,-0.2 2,-0.3 -2,-0.2 -20,-0.2 -0.907 17.8-159.9-130.5 157.9 -10.8 45.1 33.2 92 117 A M E -F 70 0C 0 -22,-2.0 -22,-1.7 -2,-0.3 2,-0.1 -0.982 26.3-121.4-128.1 146.4 -7.3 46.0 31.8 93 118 A T E > -F 69 0C 30 -2,-0.3 4,-2.6 -24,-0.2 5,-0.2 -0.405 28.2-109.1 -78.6 164.1 -4.5 47.6 33.8 94 119 A L H > S+ 0 0 0 -26,-1.1 4,-2.4 -29,-0.5 -28,-0.2 0.860 122.8 53.7 -62.7 -32.5 -3.0 50.9 32.7 95 120 A A H > S+ 0 0 25 -29,-2.5 4,-2.6 2,-0.2 -1,-0.2 0.935 109.3 47.7 -63.4 -45.6 0.1 49.0 31.7 96 121 A E H > S+ 0 0 85 -30,-0.4 4,-2.4 1,-0.2 -2,-0.2 0.899 113.0 48.8 -61.2 -40.9 -2.0 46.7 29.5 97 122 A L H X S+ 0 0 0 -4,-2.6 4,-2.6 2,-0.2 -1,-0.2 0.898 111.2 49.8 -66.4 -40.3 -3.8 49.7 28.0 98 123 A S H X S+ 0 0 0 -4,-2.4 4,-2.6 2,-0.2 5,-0.2 0.930 112.9 46.1 -63.5 -46.8 -0.4 51.5 27.3 99 124 A A H X S+ 0 0 22 -4,-2.6 4,-2.9 2,-0.2 5,-0.5 0.909 113.8 49.0 -62.5 -42.5 1.0 48.4 25.6 100 125 A A H X S+ 0 0 4 -4,-2.4 6,-1.9 -5,-0.2 4,-1.5 0.918 113.5 46.4 -64.6 -44.1 -2.1 47.9 23.6 101 126 A A H X S+ 0 0 0 -4,-2.6 4,-0.8 4,-0.3 -2,-0.2 0.936 121.4 36.7 -61.1 -48.7 -2.2 51.5 22.5 102 127 A L H < S+ 0 0 2 -4,-2.6 108,-0.2 -5,-0.2 -2,-0.2 0.926 125.5 33.7 -74.1 -46.3 1.4 51.6 21.6 103 128 A Q H < S+ 0 0 35 -4,-2.9 87,-2.0 -5,-0.2 88,-0.3 0.716 135.2 21.5 -90.1 -22.7 2.1 48.2 20.1 104 129 A Y H < S- 0 0 94 -4,-1.5 -3,-0.2 -5,-0.5 -2,-0.2 0.405 96.3-122.4-121.7 -4.7 -1.2 47.5 18.4 105 130 A S < - 0 0 16 -4,-0.8 2,-0.3 -5,-0.4 -4,-0.3 0.824 41.5-176.4 62.7 34.3 -2.7 51.0 18.0 106 131 A D > - 0 0 0 -6,-1.9 4,-1.9 1,-0.2 -25,-0.2 -0.478 16.2-160.3 -67.8 122.3 -5.8 50.0 20.0 107 132 A N H > S+ 0 0 10 -27,-2.9 4,-2.1 -2,-0.3 34,-0.3 0.807 89.1 53.3 -79.3 -31.8 -8.2 53.0 20.0 108 133 A T H > S+ 0 0 1 -28,-0.6 4,-1.9 2,-0.2 -1,-0.2 0.924 109.2 52.0 -64.6 -42.5 -10.2 52.0 23.0 109 134 A A H > S+ 0 0 0 1,-0.2 4,-1.9 2,-0.2 -2,-0.2 0.935 107.9 51.2 -58.8 -46.8 -6.9 51.7 24.9 110 135 A M H X S+ 0 0 0 -4,-1.9 4,-2.7 1,-0.2 -1,-0.2 0.928 106.9 53.8 -55.1 -46.1 -6.0 55.2 23.8 111 136 A N H X S+ 0 0 32 -4,-2.1 4,-2.4 1,-0.2 -1,-0.2 0.858 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108.3 51.6 -60.1 -45.4 26.9 86.5 -19.6 372 135 B M H X S+ 0 0 0 -4,-1.9 4,-2.7 1,-0.2 -1,-0.2 0.926 106.7 53.9 -56.4 -45.4 27.8 84.0 -16.8 373 136 B N H X S+ 0 0 31 -4,-2.1 4,-2.4 1,-0.2 -1,-0.2 0.863 106.6 51.9 -61.0 -33.4 24.5 82.3 -17.2 374 137 B K H X S+ 0 0 37 -4,-1.9 4,-2.3 2,-0.2 -1,-0.2 0.868 109.2 49.9 -68.7 -36.8 25.1 81.8 -20.9 375 138 B L H X S+ 0 0 0 -4,-1.9 4,-1.5 2,-0.2 -2,-0.2 0.939 111.6 48.7 -63.7 -45.9 28.5 80.2 -20.1 376 139 B I H <>S+ 0 0 2 -4,-2.7 5,-2.7 1,-0.2 3,-0.3 0.925 111.2 50.0 -58.6 -45.9 26.9 77.9 -17.6 377 140 B A H ><5S+ 0 0 68 -4,-2.4 3,-1.8 1,-0.2 -1,-0.2 0.911 106.1 55.8 -61.4 -41.0 24.2 77.0 -20.1 378 141 B Q H 3<5S+ 0 0 50 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.855 107.7 50.2 -57.1 -35.1 26.8 76.2 -22.7 379 142 B L T 3<5S- 0 0 22 -4,-1.5 -1,-0.3 -3,-0.3 -2,-0.2 0.390 124.8-103.6 -86.7 1.7 28.4 73.8 -20.2 380 143 B G T < 5S- 0 0 72 -3,-1.8 -3,-0.2 -4,-0.2 3,-0.2 0.587 77.0 -44.8 88.4 12.6 25.0 72.1 -19.6 381 144 B G S >>> S+ 0 0 27 0, 0.0 4,-1.8 0, 0.0 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