==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=21-JUN-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE/HYDROLASE INHIBITOR 16-MAY-11 3S22 . COMPND 2 MOLECULE: BETA-LACTAMASE; . SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOMONAS AERUGINOSA; . AUTHOR G.SCAPIN,J.LU,P.M.D.FITZGERALD,N.SHARMA . 361 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14536.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 253 70.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 4 1.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 67 18.6 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 1.1 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 3.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 44 12.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 101 28.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 9 2.5 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 1 3 0 2 1 0 1 0 1 0 1 1 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 0 PARALLEL BRIDGES PER LADDER . 2 5 1 2 0 0 3 1 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 . 1 2 0 0 0 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 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 29 A A > 0 0 83 0, 0.0 4,-3.2 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0 -50.5 -6.4 -11.1 -11.0 2 30 A P H > + 0 0 86 0, 0.0 4,-2.1 0, 0.0 5,-0.2 0.899 360.0 42.6 -56.7 -47.7 -4.9 -11.3 -7.4 3 31 A A H > S+ 0 0 78 2,-0.2 4,-2.2 1,-0.2 5,-0.2 0.913 117.3 47.8 -63.4 -44.9 -1.9 -9.1 -8.1 4 32 A D H > S+ 0 0 120 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.879 112.2 49.8 -64.1 -39.7 -4.0 -6.6 -10.1 5 33 A R H X S+ 0 0 157 -4,-3.2 4,-2.5 2,-0.2 -2,-0.2 0.878 110.3 48.6 -67.6 -42.3 -6.7 -6.5 -7.3 6 34 A L H X S+ 0 0 17 -4,-2.1 4,-2.7 -5,-0.2 5,-0.2 0.934 113.9 46.1 -65.8 -46.3 -4.2 -5.8 -4.6 7 35 A K H X S+ 0 0 106 -4,-2.2 4,-3.1 2,-0.2 5,-0.3 0.939 113.0 51.5 -57.3 -46.3 -2.5 -3.0 -6.6 8 36 A A H X S+ 0 0 58 -4,-2.5 4,-2.1 1,-0.2 -2,-0.2 0.918 113.1 45.3 -54.8 -46.5 -6.0 -1.7 -7.4 9 37 A L H X S+ 0 0 40 -4,-2.5 4,-1.7 2,-0.2 -2,-0.2 0.902 115.9 43.4 -68.1 -47.5 -7.0 -1.7 -3.7 10 38 A V H X S+ 0 0 0 -4,-2.7 4,-2.9 2,-0.2 5,-0.3 0.931 114.3 50.5 -66.6 -45.2 -3.8 -0.1 -2.4 11 39 A D H X S+ 0 0 24 -4,-3.1 4,-2.5 -5,-0.2 -2,-0.2 0.904 111.2 50.6 -55.7 -42.0 -3.7 2.5 -5.2 12 40 A A H < S+ 0 0 66 -4,-2.1 -1,-0.2 -5,-0.3 -2,-0.2 0.833 115.0 41.7 -68.6 -37.5 -7.4 3.3 -4.4 13 41 A A H X S+ 0 0 10 -4,-1.7 4,-0.6 -3,-0.1 -1,-0.2 0.879 124.4 35.8 -70.1 -45.1 -6.7 3.7 -0.6 14 42 A V H X S+ 0 0 0 -4,-2.9 4,-2.7 -5,-0.2 3,-0.2 0.931 104.2 62.0 -82.4 -51.9 -3.4 5.6 -1.0 15 43 A Q H X S+ 0 0 101 -4,-2.5 4,-2.3 -5,-0.3 5,-0.2 0.869 105.3 44.8 -55.2 -46.3 -3.6 7.9 -4.1 16 44 A P H > S+ 0 0 76 0, 0.0 4,-2.7 0, 0.0 -1,-0.2 0.901 114.9 49.3 -65.6 -38.4 -6.5 10.2 -2.9 17 45 A V H X S+ 0 0 6 -4,-0.6 4,-1.6 -3,-0.2 -2,-0.2 0.907 111.1 50.1 -65.0 -43.2 -5.0 10.6 0.6 18 46 A M H <>S+ 0 0 20 -4,-2.7 5,-2.3 2,-0.2 4,-0.4 0.923 114.5 43.9 -56.7 -47.7 -1.6 11.4 -0.9 19 47 A K H ><5S+ 0 0 101 -4,-2.3 3,-1.2 -5,-0.2 -2,-0.2 0.939 113.7 50.0 -63.9 -45.5 -3.1 14.1 -3.2 20 48 A A H 3<5S+ 0 0 82 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.737 118.1 38.9 -67.8 -26.6 -5.3 15.5 -0.5 21 49 A N T 3<5S- 0 0 30 -4,-1.6 -1,-0.3 -5,-0.2 -2,-0.2 0.281 106.5-123.8-106.9 8.4 -2.5 15.8 2.0 22 50 A D T < 5 + 0 0 95 -3,-1.2 -3,-0.2 -4,-0.4 -4,-0.1 0.866 44.3 177.0 49.4 45.0 0.1 16.9 -0.5 23 51 A I < - 0 0 10 -5,-2.3 -1,-0.2 -6,-0.2 3,-0.1 -0.667 21.2-160.1 -80.5 117.1 2.4 14.0 0.5 24 52 A P S S+ 0 0 17 0, 0.0 19,-2.3 0, 0.0 2,-0.3 0.920 72.6 10.7 -65.3 -39.0 5.5 14.0 -1.7 25 53 A G E +A 42 0A 0 17,-0.3 315,-1.8 19,-0.1 2,-0.3 -0.998 62.0 176.7-146.5 140.0 6.4 10.4 -1.1 26 54 A L E -AB 41 339A 0 15,-2.5 15,-2.6 -2,-0.3 2,-0.4 -0.971 10.2-161.2-150.4 130.1 4.8 7.3 0.6 27 55 A A E -AB 40 338A 0 311,-2.8 311,-2.6 -2,-0.3 2,-0.4 -0.932 7.3-168.7-112.2 131.8 5.8 3.7 1.0 28 56 A V E -AB 39 337A 1 11,-3.1 11,-2.3 -2,-0.4 2,-0.4 -0.947 4.4-177.9-113.4 138.0 3.3 0.9 1.8 29 57 A A E -AB 38 336A 0 307,-2.0 307,-2.3 -2,-0.4 2,-0.4 -0.993 5.3-171.9-133.0 133.4 4.3 -2.6 2.9 30 58 A I E -AB 37 335A 1 7,-2.7 7,-2.1 -2,-0.4 2,-0.6 -0.985 14.3-153.6-123.9 133.0 1.7 -5.3 3.5 31 59 A S E +AB 36 334A 0 303,-2.6 303,-1.9 -2,-0.4 2,-0.4 -0.954 28.2 166.9-103.8 122.0 2.2 -8.8 5.0 32 60 A L E > -AB 35 333A 38 3,-2.5 3,-1.6 -2,-0.6 301,-0.1 -0.995 62.1 -13.8-143.2 125.9 -0.5 -11.1 3.7 33 61 A K T 3 S- 0 0 165 299,-0.5 300,-0.1 -2,-0.4 299,-0.1 0.811 128.9 -51.3 51.4 36.6 -0.7 -14.9 3.9 34 62 A G T 3 S+ 0 0 51 298,-0.5 -1,-0.3 1,-0.2 299,-0.1 0.629 118.7 101.5 81.3 15.4 3.0 -15.1 4.8 35 63 A E E < -A 32 0A 111 -3,-1.6 -3,-2.5 2,-0.0 2,-0.2 -0.993 65.4-127.7-134.1 142.3 4.2 -13.0 1.9 36 64 A P E -A 31 0A 65 0, 0.0 2,-0.4 0, 0.0 -5,-0.2 -0.577 20.2-170.7 -86.3 148.0 5.4 -9.3 1.7 37 65 A H E -A 30 0A 52 -7,-2.1 -7,-2.7 -2,-0.2 2,-0.4 -0.997 5.8-159.1-136.9 131.5 4.0 -6.9 -0.8 38 66 A Y E -A 29 0A 80 -2,-0.4 2,-0.4 -9,-0.2 -9,-0.2 -0.922 11.6-178.1-119.8 140.3 5.3 -3.4 -1.5 39 67 A F E -A 28 0A 31 -11,-2.3 -11,-3.1 -2,-0.4 2,-0.4 -0.991 10.7-169.7-133.8 121.0 3.8 -0.3 -3.1 40 68 A S E -A 27 0A 48 -2,-0.4 2,-0.4 -13,-0.2 -13,-0.2 -0.945 3.4-172.3-121.6 134.1 5.8 2.8 -3.5 41 69 A Y E -A 26 0A 23 -15,-2.6 -15,-2.5 -2,-0.4 12,-0.1 -0.969 38.9 -27.0-130.3 139.0 4.5 6.2 -4.5 42 70 A G E S-A 25 0A 36 -2,-0.4 10,-2.2 -17,-0.2 2,-0.4 -0.154 88.0 -23.8 68.8-153.7 6.1 9.5 -5.4 43 71 A L B -I 51 0B 60 -19,-2.3 8,-0.3 8,-0.3 3,-0.2 -0.848 23.0-162.2-116.5 130.5 9.3 11.1 -4.5 44 72 A A S S+ 0 0 2 6,-2.1 156,-2.3 -2,-0.4 2,-0.4 0.822 99.4 19.2 -70.0 -35.2 11.7 10.7 -1.6 45 73 A S > - 0 0 4 5,-1.7 4,-1.2 154,-0.2 5,-0.3 -0.965 63.3-163.6-137.6 120.0 13.2 14.1 -2.5 46 74 A K T 4 S+ 0 0 84 -2,-0.4 -1,-0.1 -3,-0.2 -2,-0.1 0.816 92.7 52.9 -66.8 -31.1 11.3 16.6 -4.7 47 75 A E T 4 S+ 0 0 128 1,-0.2 -1,-0.2 2,-0.0 -2,-0.0 0.895 120.5 26.9 -77.7 -42.2 14.5 18.5 -5.4 48 76 A D T 4 S- 0 0 93 2,-0.1 -1,-0.2 0, 0.0 -2,-0.2 0.461 101.8-124.4-100.4 -2.1 16.8 15.7 -6.7 49 77 A G < + 0 0 38 -4,-1.2 2,-0.2 1,-0.2 -3,-0.1 0.584 47.9 164.3 72.7 10.6 13.9 13.5 -8.0 50 78 A R - 0 0 72 -5,-0.3 -6,-2.1 -7,-0.1 -5,-1.7 -0.451 31.7-134.4 -59.2 128.3 14.8 10.4 -5.9 51 79 A R B -I 43 0B 98 -8,-0.3 -8,-0.3 -7,-0.2 2,-0.2 -0.568 16.1-105.5 -86.4 150.6 11.8 8.1 -6.0 52 80 A V + 0 0 9 -10,-2.2 -12,-0.1 -2,-0.2 -1,-0.1 -0.562 45.8 170.8 -69.3 134.5 10.4 6.2 -3.0 53 81 A T > - 0 0 48 -2,-0.2 3,-1.4 -14,-0.1 174,-0.3 -0.843 52.9 -93.3-132.6 175.6 11.2 2.5 -3.0 54 82 A P T 3 S+ 0 0 25 0, 0.0 174,-2.2 0, 0.0 175,-0.4 0.588 126.9 52.4 -68.1 -5.2 10.7 -0.2 -0.3 55 83 A E T 3 S+ 0 0 85 171,-0.2 2,-0.1 172,-0.1 -3,-0.0 0.430 77.9 119.6-107.7 -4.2 14.3 0.6 0.8 56 84 A T < - 0 0 5 -3,-1.4 171,-0.5 1,-0.1 2,-0.5 -0.423 65.4-126.1 -60.0 135.0 13.9 4.4 1.2 57 85 A L B -j 198 0C 4 140,-2.7 142,-2.6 137,-0.2 2,-0.3 -0.756 31.2-178.0 -87.7 129.4 14.6 5.4 4.9 58 86 A F E -K 225 0D 0 167,-2.8 167,-2.2 -2,-0.5 2,-0.4 -0.912 32.9-111.9-120.8 149.0 11.8 7.4 6.6 59 87 A E E -K 224 0D 3 -2,-0.3 165,-0.2 165,-0.2 280,-0.2 -0.708 27.3-170.4 -73.9 130.2 11.7 8.8 10.1 60 88 A I > - 0 0 0 163,-2.1 3,-2.2 -2,-0.4 263,-0.2 0.381 13.7-168.8-105.6 2.3 9.0 6.8 12.0 61 89 A G G > S+ 0 0 0 162,-0.4 3,-2.7 160,-0.4 162,-0.4 -0.152 70.7 8.5 48.8-132.3 8.9 9.1 15.1 62 90 A S G > S+ 0 0 14 255,-0.4 3,-1.7 1,-0.3 -1,-0.3 0.561 111.8 80.5 -59.8 -12.1 7.0 7.5 18.0 63 91 A V G X> S+ 0 0 0 -3,-2.2 3,-1.9 1,-0.3 4,-0.6 0.802 79.3 75.2 -61.6 -21.0 6.7 4.1 16.2 64 92 A S H X> S+ 0 0 0 -3,-2.7 4,-2.3 1,-0.3 3,-0.9 0.809 77.5 74.4 -57.0 -31.4 10.2 3.9 17.6 65 93 A K H <> S+ 0 0 0 -3,-1.7 4,-2.6 155,-0.5 -1,-0.3 0.746 87.0 59.2 -55.3 -26.4 8.6 3.3 21.0 66 94 A T H <> S+ 0 0 0 -3,-1.9 4,-1.5 -4,-0.3 -1,-0.2 0.866 107.7 46.3 -74.1 -31.5 7.6 -0.3 19.9 67 95 A F H S+ 0 0 0 -4,-2.3 5,-2.6 2,-0.2 6,-0.8 0.878 116.1 45.2 -58.0 -39.6 15.5 -6.8 30.0 76 104 A L H ><5S+ 0 0 28 -4,-2.6 3,-2.8 3,-0.2 -2,-0.2 0.981 110.5 53.6 -63.4 -57.8 12.3 -8.2 31.6 77 105 A T H 3<5S+ 0 0 29 -4,-3.2 -2,-0.2 1,-0.3 -1,-0.2 0.789 110.6 48.6 -35.5 -44.3 12.7 -11.5 29.8 78 106 A Q T 3<5S- 0 0 69 -4,-2.2 -1,-0.3 -5,-0.1 -2,-0.2 0.191 113.1-116.0 -95.0 9.7 16.2 -11.7 31.3 79 107 A D T < 5S+ 0 0 149 -3,-2.8 -3,-0.2 2,-0.2 -2,-0.1 0.804 79.2 124.7 58.9 34.6 15.3 -10.8 34.9 80 108 A K S - 0 0 152 -2,-0.3 3,-1.7 -3,-0.1 22,-0.3 -0.932 27.8-117.9-128.5 154.9 10.5 -6.1 36.7 83 111 A L T 3 S+ 0 0 34 -2,-0.3 22,-2.5 1,-0.3 21,-0.3 0.764 115.5 54.0 -65.6 -23.1 7.5 -3.9 35.7 84 112 A D T 3 S+ 0 0 80 20,-0.2 -1,-0.3 19,-0.2 2,-0.1 0.349 81.6 118.3 -93.7 4.6 6.8 -3.2 39.4 85 113 A D S < S- 0 0 17 -3,-1.7 19,-2.0 1,-0.1 2,-0.3 -0.394 73.4-110.7 -60.1 144.5 10.4 -2.0 40.1 86 114 A R B > -M 103 0E 103 17,-0.2 3,-1.7 1,-0.1 4,-0.4 -0.607 23.5-123.1 -72.5 141.8 10.6 1.6 41.2 87 115 A A G > S+ 0 0 0 15,-2.8 3,-1.8 12,-0.5 4,-0.2 0.899 110.5 58.5 -53.0 -43.0 12.2 3.8 38.6 88 116 A S G > S+ 0 0 9 11,-1.6 3,-0.7 1,-0.3 -1,-0.3 0.623 86.8 77.9 -71.0 -10.3 14.9 5.0 41.0 89 117 A Q G < S+ 0 0 115 -3,-1.7 -1,-0.3 10,-0.3 -2,-0.2 0.844 100.4 42.0 -57.0 -32.6 16.0 1.4 41.5 90 118 A H G < S+ 0 0 20 -3,-1.8 -1,-0.2 -4,-0.4 -2,-0.2 0.348 118.8 39.9-105.1 4.9 17.7 1.7 38.1 91 119 A W X - 0 0 9 -3,-0.7 3,-2.4 -4,-0.2 4,-0.5 -0.758 61.1-160.0-155.8 99.9 19.3 5.1 38.4 92 120 A P G > S+ 0 0 76 0, 0.0 3,-1.7 0, 0.0 -1,-0.1 0.820 91.0 69.4 -51.8 -33.8 20.9 6.3 41.7 93 121 A A G 3 S+ 0 0 23 1,-0.3 -5,-0.1 3,-0.1 0, 0.0 0.778 99.0 51.0 -55.6 -27.4 20.5 9.9 40.5 94 122 A L G X S+ 0 0 0 -3,-2.4 3,-2.1 -6,-0.2 5,-0.3 0.556 80.4 113.9 -89.6 -9.6 16.8 9.5 40.9 95 123 A Q T < S+ 0 0 130 -3,-1.7 3,-0.1 -4,-0.5 -6,-0.0 -0.438 80.2 27.3 -61.8 131.9 16.9 8.1 44.5 96 124 A G T 3 S+ 0 0 70 1,-0.4 -1,-0.3 -2,-0.1 2,-0.1 0.245 105.7 100.3 97.9 -11.9 15.2 10.6 46.8 97 125 A S S X S- 0 0 17 -3,-2.1 3,-2.0 1,-0.0 -1,-0.4 -0.379 97.3 -88.0 -94.6 177.9 13.0 12.0 44.1 98 126 A R G > S+ 0 0 128 39,-0.4 3,-1.7 37,-0.3 37,-0.1 0.676 118.1 78.8 -58.3 -16.5 9.4 11.3 43.2 99 127 A F G > S+ 0 0 0 -5,-0.3 -11,-1.6 1,-0.3 3,-0.8 0.575 73.1 76.7 -76.5 -3.9 10.7 8.4 41.1 100 128 A D G < S+ 0 0 71 -3,-2.0 -1,-0.3 -6,-0.2 -2,-0.2 0.737 102.9 39.9 -63.3 -27.1 11.0 6.4 44.3 101 129 A G G < S+ 0 0 45 -3,-1.7 2,-0.4 -4,-0.2 -1,-0.2 0.116 100.0 85.1-115.2 19.4 7.3 6.0 44.1 102 130 A I < - 0 0 0 -3,-0.8 -15,-2.8 42,-0.0 -14,-0.3 -0.975 67.6-136.2-124.9 135.5 6.7 5.5 40.4 103 131 A S B > -M 86 0E 10 -2,-0.4 4,-1.9 -17,-0.2 -17,-0.2 -0.448 21.4-118.2 -89.8 162.3 7.0 2.1 38.6 104 132 A L H > S+ 0 0 0 -19,-2.0 4,-2.7 -22,-0.3 5,-0.2 0.910 119.1 54.8 -59.0 -40.3 8.6 1.1 35.4 105 133 A L H > S+ 0 0 25 -22,-2.5 4,-2.0 -20,-0.2 6,-0.2 0.919 104.1 53.4 -60.0 -43.1 5.1 0.1 34.2 106 134 A D H 4>S+ 0 0 15 -23,-0.3 5,-2.3 1,-0.2 6,-0.7 0.919 112.2 45.9 -56.4 -45.0 3.8 3.6 35.0 107 135 A L H ><5S+ 0 0 0 -4,-1.9 3,-0.9 1,-0.2 -2,-0.2 0.929 112.0 49.6 -64.8 -45.3 6.6 5.0 32.9 108 136 A A H 3<5S+ 0 0 0 -4,-2.7 161,-0.5 1,-0.2 -1,-0.2 0.814 118.5 38.6 -62.9 -33.6 6.1 2.6 30.0 109 137 A T T 3<5S- 0 0 0 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.175 112.1-110.5-112.0 15.4 2.3 3.2 29.8 110 138 A Y T < 5S+ 0 0 2 -3,-0.9 38,-2.7 -4,-0.4 4,-0.3 0.728 84.5 115.0 72.7 25.1 2.2 7.0 30.5 111 139 A T < + 0 0 0 -5,-2.3 33,-3.8 -6,-0.2 34,-0.4 0.084 28.5 115.2-114.0 21.1 0.6 6.8 34.0 112 140 A A S S- 0 0 1 -6,-0.7 -1,-0.1 31,-0.2 -5,-0.1 0.663 99.1 -85.5 -66.8 -17.4 3.5 8.2 36.1 113 141 A G S S- 0 0 0 33,-0.4 27,-3.1 -3,-0.2 28,-0.9 0.755 88.5 -29.3 116.8 38.6 1.2 11.2 36.9 114 142 A G + 0 0 9 32,-0.3 3,-0.1 -4,-0.3 24,-0.1 0.613 66.1 167.3 106.8 18.3 1.4 13.8 34.2 115 143 A L - 0 0 4 33,-0.1 -1,-0.2 1,-0.1 -2,-0.1 -0.411 46.0-111.3 -55.5 134.5 4.9 13.8 32.6 116 144 A P - 0 0 43 0, 0.0 37,-0.4 0, 0.0 35,-0.2 -0.129 19.3 -99.3 -78.4 174.2 4.2 16.0 29.5 117 145 A L S S+ 0 0 57 33,-0.2 34,-3.0 34,-0.1 2,-0.3 0.895 104.3 7.5 -55.0 -46.8 4.1 15.1 25.8 118 146 A Q S S- 0 0 129 32,-0.2 -1,-0.1 33,-0.2 3,-0.1 -0.924 89.1 -91.3-131.0 156.9 7.6 16.3 25.2 119 147 A F - 0 0 25 -2,-0.3 11,-0.0 96,-0.2 -2,-0.0 -0.401 59.8 -96.7 -55.7 144.6 10.5 17.5 27.3 120 148 A P > - 0 0 51 0, 0.0 3,-2.0 0, 0.0 -1,-0.1 -0.263 32.5-108.0 -63.2 156.9 10.4 21.3 27.6 121 149 A D T 3 S+ 0 0 108 1,-0.3 -2,-0.1 -3,-0.1 0, 0.0 0.760 116.9 67.4 -56.3 -28.0 12.5 23.3 25.2 122 150 A S T 3 S+ 0 0 95 1,-0.1 2,-0.8 2,-0.0 -1,-0.3 0.627 84.0 82.8 -69.3 -16.4 14.8 24.2 28.1 123 151 A V < - 0 0 15 -3,-2.0 2,-0.1 92,-0.0 -1,-0.1 -0.825 66.3-169.8 -97.4 109.0 16.0 20.5 28.4 124 152 A Q - 0 0 126 -2,-0.8 2,-1.7 90,-0.1 6,-0.1 -0.338 43.1 -80.9 -88.3 170.6 18.7 19.8 25.8 125 153 A K S S+ 0 0 98 88,-0.1 2,-0.3 90,-0.1 -1,-0.1 -0.577 88.1 121.7 -73.7 89.0 20.2 16.4 24.8 126 154 A D > - 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