==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=7-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE/HYDROLASE INHIBITOR 08-FEB-08 3C7U . COMPND 2 MOLECULE: BETA-LACTAMASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR J.WANG,D.-C.CHOW . 856 4 6 6 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 33414.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 556 65.0 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 . 182 21.3 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 4 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 0.5 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 . 14 1.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 95 11.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 212 24.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 11 1.3 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 1 4 1 4 0 4 2 3 3 1 0 0 2 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 . 4 4 4 2 0 6 6 4 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 . 4 0 0 2 0 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 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 H 0 0 140 0, 0.0 2,-0.8 0, 0.0 3,-0.5 0.000 360.0 360.0 360.0 99.7 -6.9 -8.7 8.0 2 27 A P + 0 0 113 0, 0.0 257,-0.0 0, 0.0 31,-0.0 -0.702 360.0 91.6 -97.8 106.7 -5.3 -11.8 9.6 3 28 A E > + 0 0 94 -2,-0.8 4,-1.4 259,-0.0 256,-0.1 0.287 62.5 83.2-168.6 -11.5 -1.7 -11.4 10.8 4 29 A T H > S+ 0 0 1 -3,-0.5 4,-1.9 254,-0.2 255,-0.1 0.807 92.0 57.7 -58.6 -32.2 -2.1 -10.3 14.5 5 30 A L H > S+ 0 0 63 1,-0.2 4,-1.8 2,-0.2 -1,-0.1 0.899 102.8 49.4 -79.9 -32.8 -2.5 -14.0 15.2 6 31 A V H > S+ 0 0 81 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.889 108.7 53.9 -64.9 -43.7 0.9 -15.1 13.7 7 32 A K H X S+ 0 0 21 -4,-1.4 4,-3.2 2,-0.2 -2,-0.2 0.884 104.3 56.1 -58.2 -44.8 2.6 -12.3 15.7 8 33 A V H X S+ 0 0 0 -4,-1.9 4,-2.2 2,-0.2 -1,-0.2 0.958 107.0 49.5 -47.0 -54.7 1.0 -13.8 18.8 9 34 A K H X S+ 0 0 109 -4,-1.8 4,-1.8 2,-0.2 -2,-0.2 0.904 110.1 49.9 -49.5 -49.0 2.7 -17.1 17.8 10 35 A D H X S+ 0 0 55 -4,-2.0 4,-3.1 2,-0.2 5,-0.3 0.910 106.1 56.8 -54.6 -45.1 6.0 -15.3 17.4 11 36 A A H X S+ 0 0 0 -4,-3.2 4,-2.7 1,-0.3 5,-0.4 0.898 107.1 48.1 -60.1 -41.6 5.5 -13.8 20.8 12 37 A E H X S+ 0 0 28 -4,-2.2 4,-1.8 3,-0.2 5,-0.5 0.858 113.1 48.8 -67.8 -35.0 5.2 -17.3 22.2 13 38 A D H < S+ 0 0 102 -4,-1.8 -2,-0.2 2,-0.2 -1,-0.2 0.908 118.5 37.8 -65.6 -46.3 8.4 -18.3 20.3 14 39 A Q H < S+ 0 0 101 -4,-3.1 -2,-0.2 1,-0.2 -3,-0.2 0.841 127.3 36.4 -69.8 -41.8 10.4 -15.2 21.6 15 40 A L H < S- 0 0 13 -4,-2.7 227,-0.8 -5,-0.3 228,-0.4 0.793 93.4-144.9 -85.9 -32.2 8.9 -15.2 25.1 16 41 A G < + 0 0 60 -4,-1.8 2,-0.3 -5,-0.4 -3,-0.2 0.871 65.5 86.8 66.2 40.0 8.7 -19.0 25.4 17 42 A A S S- 0 0 19 -5,-0.5 -1,-0.3 -6,-0.2 -2,-0.2 -0.921 85.5 -64.9-154.3 173.1 5.4 -18.8 27.4 18 43 A R E -A 239 0A 84 221,-0.8 221,-1.1 -2,-0.3 2,-0.4 -0.391 39.5-170.4 -67.9 144.6 1.7 -18.6 27.1 19 44 A V E -A 238 0A 2 219,-0.2 2,-0.4 -2,-0.1 219,-0.2 -0.991 2.6-165.1-135.4 125.8 -0.0 -15.6 25.4 20 45 A G E +A 237 0A 0 217,-2.8 217,-2.0 -2,-0.4 2,-0.3 -0.930 14.7 172.1-113.3 144.3 -3.8 -15.1 25.6 21 46 A Y E +AB 236 35A 0 14,-2.7 14,-3.1 -2,-0.4 2,-0.3 -0.995 11.9 171.9-154.6 140.0 -5.5 -12.5 23.3 22 47 A I E -AB 235 34A 1 213,-1.7 213,-1.9 -2,-0.3 2,-0.4 -0.977 12.8-161.5-147.5 148.9 -9.0 -11.4 22.3 23 48 A E E -AB 234 33A 8 10,-2.2 9,-3.1 -2,-0.3 10,-1.4 -0.999 16.7-176.4-129.9 128.0 -10.4 -8.5 20.2 24 49 A L E -AB 233 31A 1 209,-2.5 209,-2.9 -2,-0.4 2,-0.4 -0.972 31.1-114.5-131.5 136.5 -14.1 -7.7 20.6 25 50 A D E > -A 232 0A 42 5,-2.9 4,-1.9 -2,-0.4 207,-0.3 -0.602 25.4-144.9 -71.1 122.4 -16.3 -5.1 18.8 26 51 A L T 4 S+ 0 0 11 205,-2.1 206,-0.2 -2,-0.4 -1,-0.2 0.882 91.4 39.6 -60.5 -39.1 -17.3 -2.5 21.4 27 52 A N T 4 S+ 0 0 124 204,-0.5 -1,-0.2 1,-0.1 205,-0.1 0.937 126.6 28.9 -83.8 -46.7 -20.8 -1.8 20.1 28 53 A S T 4 S- 0 0 66 2,-0.1 -2,-0.2 1,-0.0 -1,-0.1 0.842 92.9-134.0 -80.7 -33.3 -22.0 -5.3 19.0 29 54 A G < + 0 0 24 -4,-1.9 2,-0.2 1,-0.3 -3,-0.1 0.477 53.3 149.5 89.1 5.3 -20.0 -7.3 21.5 30 55 A K - 0 0 152 -5,-0.1 -5,-2.9 -6,-0.1 2,-0.3 -0.492 51.2-118.7 -74.8 138.8 -19.0 -9.7 18.8 31 56 A I E -B 24 0A 94 -7,-0.2 -7,-0.3 -2,-0.2 3,-0.1 -0.610 26.5-175.8 -76.4 131.2 -15.6 -11.4 19.0 32 57 A L E - 0 0 78 -9,-3.1 2,-0.3 1,-0.4 -8,-0.2 0.760 66.4 -21.0 -97.5 -34.4 -13.4 -10.5 16.0 33 58 A E E -B 23 0A 31 -10,-1.4 -10,-2.2 2,-0.0 -1,-0.4 -0.944 62.1-177.5-171.2 154.0 -10.5 -12.8 16.8 34 59 A S E -B 22 0A 44 -2,-0.3 2,-0.3 -12,-0.2 -12,-0.2 -0.994 15.4-162.3-157.8 158.5 -9.0 -14.7 19.7 35 60 A F E S-B 21 0A 56 -14,-3.1 -14,-2.7 -2,-0.3 -2,-0.0 -0.965 87.3 -13.8-147.7 119.2 -6.1 -16.9 20.8 36 61 A R S > S+ 0 0 83 -2,-0.3 3,-1.1 -16,-0.2 123,-0.1 0.923 80.1 165.1 47.0 51.7 -6.3 -19.0 24.1 37 62 A P T 3 + 0 0 27 0, 0.0 122,-2.3 0, 0.0 123,-0.5 0.707 68.3 46.2 -68.9 -20.4 -9.4 -16.8 25.0 38 63 A E T 3 S+ 0 0 137 120,-0.2 2,-0.3 119,-0.1 -2,-0.1 0.014 84.0 102.8-122.2 32.5 -10.4 -19.2 27.7 39 64 A E S < S- 0 0 62 -3,-1.1 2,-0.2 117,-0.0 120,-0.1 -0.826 74.2-109.0-104.2 152.4 -7.2 -20.0 29.6 40 65 A R + 0 0 58 -2,-0.3 117,-0.2 117,-0.2 110,-0.1 -0.583 37.9 174.1 -81.0 138.8 -6.6 -18.4 33.1 41 66 A F E -E 156 0B 1 115,-2.3 115,-2.3 -2,-0.2 2,-0.1 -0.978 40.9 -94.8-141.1 145.6 -3.9 -15.7 33.5 42 67 A P E -E 155 0B 15 0, 0.0 113,-0.3 0, 0.0 196,-0.2 -0.469 27.3-147.9 -60.2 129.3 -3.1 -13.5 36.6 43 68 A M > + 0 0 2 111,-1.9 3,-1.7 -2,-0.1 112,-0.1 0.832 27.6 176.2 -67.0 -34.2 -4.9 -10.2 36.4 44 69 A M G > S- 0 0 2 110,-0.5 3,-1.7 100,-0.4 -1,-0.1 -0.289 72.0 -16.9 54.1-148.3 -2.2 -8.2 38.2 45 70 A S G > S+ 0 0 0 1,-0.3 3,-1.5 167,-0.3 4,-0.3 0.518 120.1 89.9 -65.7 -6.8 -3.0 -4.5 38.2 46 71 A T G X S+ 0 0 0 -3,-1.7 3,-0.9 1,-0.2 4,-0.5 0.734 76.1 67.6 -55.2 -24.0 -5.5 -5.1 35.5 47 72 A F G <> S+ 0 0 0 -3,-1.7 4,-2.2 1,-0.2 3,-0.4 0.674 77.7 80.6 -75.7 -17.8 -8.1 -5.7 38.3 48 73 A K H <> S+ 0 0 0 -3,-1.5 4,-2.1 1,-0.3 -1,-0.2 0.800 87.4 55.4 -65.9 -26.7 -8.0 -2.1 39.4 49 74 A V H <> S+ 0 0 0 -3,-0.9 4,-1.3 -4,-0.3 -1,-0.3 0.890 109.3 47.9 -67.1 -38.9 -10.4 -1.1 36.6 50 75 A L H > S+ 0 0 0 -4,-0.5 4,-1.9 -3,-0.4 -2,-0.2 0.881 109.3 54.6 -67.4 -43.6 -12.9 -3.8 37.9 51 76 A L H X S+ 0 0 0 -4,-2.2 4,-1.8 1,-0.2 -2,-0.2 0.922 109.7 45.2 -51.2 -54.1 -12.5 -2.5 41.5 52 77 A a H X S+ 0 0 0 -4,-2.1 4,-2.4 2,-0.2 -1,-0.2 0.781 107.3 58.2 -68.6 -24.1 -13.3 1.1 40.5 53 78 A G H X S+ 0 0 0 -4,-1.3 4,-1.8 2,-0.2 -1,-0.2 0.902 107.6 48.9 -67.7 -42.7 -16.3 -0.1 38.4 54 79 A A H X S+ 0 0 3 -4,-1.9 4,-1.6 2,-0.2 -2,-0.2 0.847 111.1 50.0 -57.7 -43.5 -17.6 -1.8 41.7 55 80 A V H X S+ 0 0 0 -4,-1.8 4,-2.5 2,-0.2 -2,-0.2 0.924 111.2 47.7 -64.9 -46.0 -17.0 1.5 43.6 56 81 A L H X S+ 0 0 0 -4,-2.4 4,-2.9 1,-0.2 -2,-0.2 0.846 108.5 55.5 -62.4 -35.1 -18.9 3.6 40.9 57 82 A S H X S+ 0 0 32 -4,-1.8 4,-1.3 2,-0.2 -1,-0.2 0.895 108.8 47.6 -61.5 -45.1 -21.7 1.1 41.0 58 83 A R H <>S+ 0 0 67 -4,-1.6 5,-2.8 2,-0.2 6,-0.9 0.896 111.7 50.7 -64.8 -37.9 -21.9 1.7 44.8 59 84 A I H ><5S+ 0 0 35 -4,-2.5 3,-1.9 4,-0.2 -2,-0.2 0.939 106.5 54.4 -60.5 -48.9 -21.9 5.5 44.1 60 85 A D H 3<5S+ 0 0 59 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.805 110.5 47.6 -50.9 -36.7 -24.7 5.1 41.6 61 86 A A T 3<5S- 0 0 69 -4,-1.3 -1,-0.3 -3,-0.2 -2,-0.2 0.204 118.8-106.2 -95.5 11.1 -26.8 3.4 44.3 62 87 A G T < 5S+ 0 0 65 -3,-1.9 -3,-0.2 2,-0.2 -2,-0.1 0.616 91.6 113.3 75.4 12.6 -26.2 5.9 47.1 63 88 A Q S - 0 0 122 -2,-0.3 3,-1.5 1,-0.1 29,-0.4 -0.987 10.2-148.2-122.7 126.9 -19.7 9.2 47.8 66 91 A L T 3 S+ 0 0 24 -2,-0.4 29,-2.2 1,-0.3 30,-0.3 0.822 102.2 54.1 -58.7 -31.0 -16.8 10.0 45.5 67 92 A G T 3 S+ 0 0 49 27,-0.2 -1,-0.3 26,-0.2 2,-0.1 0.535 79.7 119.5 -83.4 -5.5 -16.1 13.1 47.7 68 93 A R < - 0 0 103 -3,-1.5 26,-2.1 25,-0.1 2,-0.4 -0.437 61.9-132.3 -63.9 134.9 -15.8 11.1 50.9 69 94 A R E -F 93 0C 110 24,-0.2 2,-0.5 -2,-0.1 24,-0.3 -0.740 14.7-156.4 -96.8 130.1 -12.4 11.4 52.6 70 95 A I E -F 92 0C 23 22,-3.5 22,-1.9 -2,-0.4 2,-0.4 -0.910 2.5-158.1-108.3 125.7 -10.5 8.3 53.8 71 96 A H + 0 0 132 -2,-0.5 2,-0.2 20,-0.2 17,-0.1 -0.849 21.3 166.2-100.7 130.4 -7.9 8.7 56.5 72 97 A Y - 0 0 25 -2,-0.4 2,-0.2 16,-0.3 19,-0.1 -0.765 22.1-127.3-134.7-179.8 -5.2 5.9 56.7 73 98 A S > - 0 0 60 -2,-0.2 3,-2.0 1,-0.1 4,-0.5 -0.798 34.3 -93.7-131.6 170.7 -1.9 5.3 58.4 74 99 A Q G > S+ 0 0 37 1,-0.3 3,-1.6 -2,-0.2 -1,-0.1 0.829 119.2 67.7 -45.8 -39.0 1.8 4.3 57.7 75 100 A N G 3 S+ 0 0 88 1,-0.3 -1,-0.3 339,-0.0 337,-0.1 0.758 96.6 55.4 -56.5 -28.4 0.7 0.7 58.6 76 101 A D G < S+ 0 0 53 -3,-2.0 -1,-0.3 2,-0.0 -2,-0.2 0.667 82.3 109.3 -77.2 -20.7 -1.4 0.7 55.4 77 102 A L < + 0 0 0 -3,-1.6 2,-0.3 -4,-0.5 3,-0.0 -0.383 44.8 177.1 -70.3 130.5 1.4 1.6 53.0 78 103 A V - 0 0 0 -2,-0.1 30,-0.3 1,-0.1 29,-0.2 -0.850 41.5 -60.0-127.8 164.4 2.6 -1.1 50.6 79 104 A E S S+ 0 0 16 -2,-0.3 28,-0.2 1,-0.2 -1,-0.1 -0.111 117.4 22.8 -40.4 131.3 5.2 -1.4 47.8 80 105 A Y S S+ 0 0 0 27,-0.1 27,-2.8 26,-0.1 28,-0.3 0.981 74.6 141.1 66.8 66.5 4.5 1.0 44.9 81 106 A S > + 0 0 0 25,-0.2 4,-2.1 26,-0.2 5,-0.3 -0.409 6.8 154.2-130.3 56.8 2.4 3.8 46.5 82 107 A P H > S+ 0 0 0 0, 0.0 4,-0.6 0, 0.0 -1,-0.1 0.821 78.1 34.1 -58.2 -37.0 3.5 7.1 44.9 83 108 A V H > S+ 0 0 3 2,-0.2 4,-1.7 1,-0.1 3,-0.4 0.946 118.3 47.1 -87.3 -48.2 0.3 9.0 45.5 84 109 A T H 4 S+ 0 0 0 1,-0.2 7,-0.1 2,-0.2 -1,-0.1 0.830 108.6 56.1 -62.7 -34.2 -1.0 7.6 48.8 85 110 A E H >< S+ 0 0 13 -4,-2.1 3,-0.8 1,-0.2 -1,-0.2 0.873 107.1 52.2 -64.3 -34.4 2.5 7.9 50.5 86 111 A K H 3< S+ 0 0 49 -4,-0.6 3,-0.4 -3,-0.4 -2,-0.2 0.885 113.0 43.0 -69.1 -37.4 2.3 11.7 49.5 87 112 A H T 3X S+ 0 0 24 -4,-1.7 4,-2.2 1,-0.2 -1,-0.2 0.107 74.3 120.6-100.7 24.5 -1.1 12.3 51.1 88 113 A L T <4 S+ 0 0 34 -3,-0.8 -16,-0.3 2,-0.2 -1,-0.2 0.797 76.9 44.3 -53.0 -35.5 -0.6 10.3 54.3 89 114 A T T 4 S+ 0 0 104 -3,-0.4 -1,-0.2 -4,-0.1 -2,-0.1 0.934 123.5 31.6 -80.7 -45.7 -1.2 13.3 56.5 90 115 A D T 4 S- 0 0 69 1,-0.2 -2,-0.2 -19,-0.0 -1,-0.1 0.609 100.8-138.9 -84.7 -16.5 -4.4 14.8 54.8 91 116 A G < - 0 0 0 -4,-2.2 2,-0.3 -7,-0.1 -20,-0.2 -0.238 16.8 -97.5 79.6-172.7 -5.9 11.5 53.5 92 117 A M E -F 70 0C 2 -22,-1.9 -22,-3.5 -4,-0.1 2,-0.1 -0.984 23.1-119.5-146.2 143.0 -7.5 11.0 50.1 93 118 A T E > -F 69 0C 15 -2,-0.3 4,-2.0 -24,-0.3 -24,-0.2 -0.490 35.8-106.1 -78.4 161.9 -11.1 11.1 48.8 94 119 A V H > S+ 0 0 0 -26,-2.1 4,-1.8 -29,-0.4 5,-0.2 0.879 122.5 52.8 -52.3 -40.7 -12.6 8.0 47.1 95 120 A R H > S+ 0 0 110 -29,-2.2 4,-2.0 1,-0.2 -1,-0.2 0.877 108.1 49.4 -64.7 -41.5 -12.3 9.7 43.7 96 121 A E H > S+ 0 0 76 -30,-0.3 4,-2.1 -3,-0.2 -1,-0.2 0.831 108.6 55.3 -67.3 -31.9 -8.6 10.5 44.3 97 122 A L H X S+ 0 0 0 -4,-2.0 4,-2.6 2,-0.2 -2,-0.2 0.891 108.5 45.0 -70.2 -41.2 -8.1 6.9 45.2 98 123 A a H X S+ 0 0 0 -4,-1.8 4,-2.7 2,-0.2 5,-0.4 0.870 111.8 54.2 -70.1 -38.2 -9.5 5.5 42.0 99 124 A S H X S+ 0 0 33 -4,-2.0 4,-2.4 -5,-0.2 5,-0.5 0.926 112.9 42.0 -57.5 -49.5 -7.6 8.1 40.1 100 125 A A H X S+ 0 0 1 -4,-2.1 6,-2.2 3,-0.2 4,-1.3 0.888 114.9 51.4 -64.8 -42.6 -4.3 6.9 41.7 101 126 A A H < S+ 0 0 0 -4,-2.6 4,-0.3 4,-0.3 -2,-0.2 0.914 121.2 31.2 -58.4 -46.0 -5.3 3.2 41.4 102 127 A I H < S+ 0 0 0 -4,-2.7 -2,-0.2 2,-0.1 -3,-0.2 0.935 128.4 33.7 -84.7 -45.6 -6.0 3.4 37.7 103 128 A T H < S+ 0 0 9 -4,-2.4 87,-2.0 -5,-0.4 88,-0.2 0.787 136.0 23.3 -81.2 -27.1 -3.7 6.2 36.3 104 129 A M S < S- 0 0 4 -4,-1.3 -3,-0.2 -5,-0.5 -1,-0.2 0.407 94.7-128.5-118.6 -5.3 -0.8 5.5 38.6 105 130 A S - 0 0 3 -4,-0.3 2,-0.3 -5,-0.3 -4,-0.3 0.783 36.8-173.5 56.9 29.1 -1.4 1.9 39.6 106 131 A D > - 0 0 0 -6,-2.2 4,-1.6 1,-0.1 -25,-0.2 -0.406 14.9-158.3 -55.9 112.9 -1.1 2.9 43.3 107 132 A N H > S+ 0 0 0 -27,-2.8 4,-1.9 -2,-0.3 34,-0.3 0.855 88.8 50.4 -69.1 -39.6 -1.2 -0.3 45.3 108 133 A T H > S+ 0 0 0 -30,-0.3 4,-2.4 -28,-0.3 5,-0.2 0.926 107.9 54.1 -64.6 -41.3 -2.2 1.2 48.7 109 134 A A H > S+ 0 0 0 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.908 108.0 50.8 -57.4 -43.3 -5.1 3.1 47.0 110 135 A A H X S+ 0 0 0 -4,-1.6 4,-2.4 1,-0.2 -1,-0.2 0.930 110.6 48.5 -62.9 -45.1 -6.3 -0.2 45.6 111 136 A N H X S+ 0 0 17 -4,-1.9 4,-1.9 2,-0.2 -2,-0.2 0.887 111.4 49.5 -59.8 -42.8 -6.2 -1.8 49.1 112 137 A L H X S+ 0 0 15 -4,-2.4 4,-1.7 2,-0.2 -2,-0.2 0.918 112.4 47.8 -62.2 -42.5 -8.1 1.1 50.7 113 138 A L H X S+ 0 0 0 -4,-2.5 4,-1.1 1,-0.2 -2,-0.2 0.900 107.8 56.5 -67.4 -38.3 -10.7 0.9 48.0 114 139 A L H X>S+ 0 0 0 -4,-2.4 5,-3.5 1,-0.2 4,-0.7 0.917 105.5 51.0 -59.2 -39.8 -11.0 -2.9 48.5 115 140 A T H ><5S+ 0 0 82 -4,-1.9 3,-0.8 3,-0.2 -1,-0.2 0.876 102.0 60.6 -70.1 -33.7 -11.8 -2.4 52.1 116 141 A T H 3<5S+ 0 0 25 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.813 111.6 40.3 -55.2 -35.2 -14.6 0.1 51.3 117 142 A I H 3<5S- 0 0 18 -4,-1.1 -1,-0.2 -3,-0.5 -2,-0.2 0.475 128.6 -92.0 -95.2 -5.5 -16.4 -2.6 49.4 118 143 A G T <<5 - 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