==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 18-AUG-04 1X8I . COMPND 2 MOLECULE: BETA-LACTAMASE; . SOURCE 2 ORGANISM_SCIENTIFIC: AEROMONAS HYDROPHILA; . AUTHOR G.GARAU,O.DIDEBERG . 224 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9774.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 155 69.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 18 8.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 35 15.6 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 3 1.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.4 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 . 17 7.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 17 7.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 57 25.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 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 1 0 1 0 0 0 0 1 1 0 1 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 0 0 PARALLEL BRIDGES PER LADDER . 0 1 3 1 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 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 0 1 1 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 41 A A 0 0 122 0, 0.0 17,-0.1 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 175.1 10.9 37.8 51.8 2 42 A G + 0 0 36 1,-0.2 16,-2.3 15,-0.1 17,-0.4 0.790 360.0 10.9 -59.6 -33.4 9.8 40.0 54.7 3 43 A M E -A 17 0A 13 14,-0.2 2,-0.3 15,-0.1 14,-0.2 -0.988 68.4-166.8-149.8 141.4 10.2 37.0 57.0 4 44 A S E -A 16 0A 41 12,-1.9 12,-2.1 -2,-0.3 2,-0.4 -0.913 7.9-159.5-128.2 154.7 11.7 33.5 56.7 5 45 A L E +A 15 0A 28 -2,-0.3 2,-0.4 10,-0.2 10,-0.2 -0.975 22.1 174.9-137.3 116.7 11.4 30.5 58.9 6 46 A T E -A 14 0A 78 8,-2.4 8,-3.0 -2,-0.4 2,-0.2 -0.984 33.0-111.0-134.2 140.1 14.2 27.9 58.4 7 47 A Q E +A 13 0A 112 -2,-0.4 6,-0.3 6,-0.2 3,-0.1 -0.411 30.0 172.7 -69.3 132.1 15.2 24.6 60.1 8 48 A V E S- 0 0 38 4,-2.8 2,-0.3 1,-0.2 5,-0.2 0.800 74.7 -14.9-100.0 -49.2 18.4 24.8 62.1 9 49 A S E > S-A 12 0A 50 3,-1.8 3,-2.5 1,-0.1 -1,-0.2 -0.859 105.3 -54.5-160.8 117.5 18.2 21.3 63.7 10 50 A G T 3 S- 0 0 38 1,-0.3 -2,-0.1 -2,-0.3 -1,-0.1 -0.257 126.2 -2.6 54.7-121.0 15.2 18.9 64.0 11 51 A P T 3 S+ 0 0 35 0, 0.0 18,-2.6 0, 0.0 2,-0.6 0.429 113.4 99.2 -81.6 -0.4 12.3 20.8 65.6 12 52 A V E < +AB 9 28A 0 -3,-2.5 -4,-2.8 16,-0.2 -3,-1.8 -0.822 50.9 176.1 -95.9 119.3 14.3 24.0 66.1 13 53 A Y E -AB 7 27A 40 14,-3.0 14,-2.3 -2,-0.6 2,-0.4 -0.847 22.4-135.2-121.6 149.5 13.8 26.7 63.5 14 54 A V E -AB 6 26A 10 -8,-3.0 -8,-2.4 -2,-0.3 2,-0.5 -0.921 11.3-149.4-107.7 134.4 15.1 30.3 63.2 15 55 A V E -AB 5 25A 0 10,-3.3 10,-1.8 -2,-0.4 2,-0.7 -0.890 3.9-162.1 -98.3 125.1 12.9 33.2 62.2 16 56 A E E -AB 4 24A 52 -12,-2.1 -12,-1.9 -2,-0.5 2,-0.8 -0.954 8.5-168.4-106.8 110.8 14.6 36.1 60.3 17 57 A D E -AB 3 23A 0 6,-2.9 6,-2.3 -2,-0.7 -14,-0.2 -0.875 7.7-176.8-103.7 101.3 12.2 39.0 60.7 18 58 A N + 0 0 60 -16,-2.3 4,-0.2 -2,-0.8 -15,-0.1 0.411 44.5 114.0 -84.3 0.3 13.4 41.7 58.2 19 59 A Y S S- 0 0 80 -17,-0.4 4,-0.1 2,-0.1 22,-0.1 -0.455 88.4 -21.4 -69.4 145.8 10.9 44.3 59.2 20 60 A Y S S- 0 0 74 -2,-0.1 2,-0.6 2,-0.1 3,-0.0 -0.252 139.5 -0.7 58.8-126.4 12.2 47.5 60.9 21 67 A V S S- 0 0 81 1,-0.1 -2,-0.1 91,-0.0 -4,-0.1 -0.804 101.7-102.4 -87.0 122.9 15.7 46.6 62.2 22 68 A Q - 0 0 51 -2,-0.6 183,-0.4 -4,-0.2 2,-0.3 -0.207 47.3-176.4 -44.9 132.0 16.2 42.9 61.3 23 69 A E E -B 17 0A 0 -6,-2.3 -6,-2.9 181,-0.2 2,-0.4 -0.959 15.3-144.9-134.0 143.4 15.6 40.7 64.4 24 70 A N E +B 16 0A 0 179,-2.1 -8,-0.2 -2,-0.3 2,-0.2 -0.962 22.4 171.2-114.9 138.1 15.9 36.9 64.6 25 71 A S E -B 15 0A 0 -10,-1.8 -10,-3.3 -2,-0.4 2,-0.3 -0.659 23.7-113.8-133.1 179.5 13.7 34.7 66.8 26 72 A M E -BC 14 37A 0 11,-2.6 11,-3.0 -12,-0.2 2,-0.4 -0.884 13.6-164.4-124.9 155.7 13.1 31.0 67.3 27 73 A V E -BC 13 36A 0 -14,-2.3 -14,-3.0 -2,-0.3 2,-0.5 -0.998 5.6-162.5-135.5 135.5 10.3 28.5 66.7 28 74 A Y E -BC 12 35A 19 7,-2.7 7,-2.3 -2,-0.4 2,-0.9 -0.981 10.2-150.4-118.2 118.3 10.2 25.0 68.3 29 75 A F E - C 0 34A 27 -18,-2.6 5,-0.2 -2,-0.5 2,-0.1 -0.790 27.2-175.5 -92.2 101.4 7.8 22.4 66.7 30 76 A G - 0 0 16 3,-1.9 29,-0.1 -2,-0.9 104,-0.0 -0.314 38.9-102.9 -94.1 177.8 6.7 20.1 69.4 31 77 A A S S+ 0 0 90 1,-0.2 3,-0.1 -2,-0.1 -1,-0.1 0.841 120.7 25.9 -70.8 -35.6 4.6 17.0 69.7 32 78 A K S S- 0 0 153 1,-0.3 2,-0.3 27,-0.1 -1,-0.2 0.597 132.2 -39.0-101.0 -17.6 1.5 18.7 71.1 33 79 A G - 0 0 0 26,-0.2 -3,-1.9 28,-0.0 2,-0.3 -0.991 66.2 -65.7 173.3-174.7 2.1 22.2 69.7 34 80 A V E -Cd 29 61A 0 26,-2.8 28,-2.1 -2,-0.3 29,-1.2 -0.759 26.5-158.9-107.2 136.9 4.4 25.1 68.8 35 81 A T E -Cd 28 63A 0 -7,-2.3 -7,-2.7 -2,-0.3 2,-0.4 -0.982 9.4-157.1-110.6 127.8 6.5 27.4 71.0 36 82 A V E -Cd 27 64A 0 27,-2.6 29,-2.5 -2,-0.5 2,-0.7 -0.871 3.1-154.6-104.2 133.4 7.6 30.7 69.6 37 83 A V E S+Cd 26 65A 0 -11,-3.0 -11,-2.6 -2,-0.4 29,-0.1 -0.898 75.1 16.9-110.4 103.6 10.7 32.3 71.2 38 84 A G S S- 0 0 0 27,-2.2 28,-0.2 -2,-0.7 -1,-0.2 0.389 74.8-130.3 99.6 122.0 10.4 36.1 70.7 39 85 A A - 0 0 0 34,-2.5 34,-0.2 26,-0.2 35,-0.2 0.588 44.8-126.4 -83.0 -5.4 7.1 37.6 69.7 40 86 A T - 0 0 0 32,-0.6 36,-1.9 1,-0.1 35,-0.3 -0.023 36.8 -61.8 69.9 173.7 8.5 39.6 66.8 41 87 A W S S- 0 0 13 34,-0.2 -1,-0.1 33,-0.1 33,-0.1 0.800 104.7 -4.4 -63.3 -44.2 8.1 43.3 66.2 42 88 A T S > S- 0 0 4 -3,-0.1 4,-2.5 34,-0.1 34,-0.3 -0.929 72.1 -96.0-143.4 171.3 4.4 43.9 65.8 43 89 A P H > S+ 0 0 31 0, 0.0 4,-2.2 0, 0.0 5,-0.1 0.891 124.9 52.4 -55.5 -38.2 1.0 42.1 65.6 44 90 A D H > S+ 0 0 115 2,-0.2 4,-2.0 1,-0.2 5,-0.1 0.906 109.9 46.4 -68.6 -41.1 1.3 42.2 61.8 45 91 A T H > S+ 0 0 0 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.888 111.4 53.3 -68.3 -33.4 4.8 40.6 61.8 46 92 A A H X S+ 0 0 0 -4,-2.5 4,-2.7 2,-0.2 -2,-0.2 0.920 107.6 50.7 -63.6 -42.0 3.5 38.0 64.3 47 93 A R H X S+ 0 0 131 -4,-2.2 4,-1.9 1,-0.2 -2,-0.2 0.911 108.7 52.5 -63.4 -39.0 0.7 37.2 61.9 48 94 A E H X S+ 0 0 62 -4,-2.0 4,-1.4 2,-0.2 -1,-0.2 0.905 109.9 47.7 -61.8 -43.2 3.3 36.8 59.1 49 95 A L H X S+ 0 0 0 -4,-2.3 4,-2.3 1,-0.2 3,-0.4 0.938 108.3 55.3 -61.2 -44.0 5.2 34.3 61.2 50 96 A H H X S+ 0 0 22 -4,-2.7 4,-2.5 1,-0.2 -2,-0.2 0.885 103.4 56.1 -56.8 -39.3 2.0 32.4 62.0 51 97 A K H X S+ 0 0 110 -4,-1.9 4,-0.8 1,-0.2 -1,-0.2 0.900 109.7 44.8 -61.0 -41.6 1.4 32.0 58.3 52 98 A L H >X S+ 0 0 50 -4,-1.4 4,-0.6 -3,-0.4 3,-0.6 0.890 110.9 54.0 -67.9 -39.3 4.8 30.4 57.8 53 99 A I H >X S+ 0 0 2 -4,-2.3 4,-2.6 1,-0.2 3,-1.8 0.934 103.6 55.8 -59.7 -45.9 4.2 28.2 60.9 54 100 A K H 3< S+ 0 0 142 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.754 101.9 58.0 -64.5 -21.3 0.8 26.9 59.5 55 102 A R H << S+ 0 0 221 -4,-0.8 -1,-0.3 -3,-0.6 -2,-0.2 0.690 115.0 38.1 -78.3 -12.9 2.8 25.7 56.2 56 103 A V H << S+ 0 0 70 -3,-1.8 2,-0.3 -4,-0.6 -2,-0.2 0.774 127.1 9.1-100.4 -41.5 5.0 23.5 58.5 57 104 A S < - 0 0 27 -4,-2.6 -1,-0.3 2,-0.1 -23,-0.0 -0.999 44.4-150.8-147.4 145.5 2.6 22.2 61.1 58 105 A R + 0 0 242 -2,-0.3 -4,-0.1 -3,-0.1 -1,-0.1 0.433 66.0 115.6 -86.6 -5.7 -1.1 22.0 61.9 59 106 A K S S- 0 0 104 1,-0.1 -26,-0.2 -29,-0.1 -2,-0.1 -0.302 75.5 -96.9 -75.8 144.2 -0.4 21.9 65.7 60 108 A P - 0 0 76 0, 0.0 -26,-2.8 0, 0.0 2,-0.8 -0.337 29.1-115.9 -57.9 151.6 -1.6 24.9 67.9 61 109 A V E -d 34 0A 12 -28,-0.2 -26,-0.2 1,-0.2 3,-0.1 -0.812 38.6-177.6 -78.9 111.8 0.7 27.7 68.8 62 110 A L E - 0 0 57 -28,-2.1 24,-2.6 -2,-0.8 2,-0.3 0.830 52.9 -8.8 -84.2 -40.3 0.7 27.1 72.6 63 111 A E E -de 35 86A 16 -29,-1.2 -27,-2.6 22,-0.3 2,-0.4 -0.991 47.4-148.4-161.3 155.2 2.9 29.9 73.9 64 112 A V E -de 36 87A 0 22,-2.2 24,-2.9 -2,-0.3 2,-0.4 -0.998 21.0-140.8-130.1 132.4 5.3 32.7 72.9 65 113 A I E -de 37 88A 0 -29,-2.5 -27,-2.2 -2,-0.4 2,-0.9 -0.805 1.9-148.4 -98.0 130.0 8.2 33.8 75.2 66 114 A N - 0 0 0 22,-2.7 24,-0.4 -2,-0.4 8,-0.1 -0.867 10.0-167.9 -91.6 106.7 9.2 37.4 75.7 67 115 A T S S- 0 0 2 -2,-0.9 85,-2.2 6,-0.2 2,-0.3 0.671 75.1 -1.1 -76.3 -15.9 12.9 37.2 76.2 68 116 A N S S- 0 0 3 83,-0.2 -1,-0.1 2,-0.2 25,-0.1 -0.912 81.2-102.4-151.4-176.0 12.9 40.8 77.3 69 117 A Y S S+ 0 0 6 -2,-0.3 35,-0.1 -3,-0.1 5,-0.0 0.398 81.2 111.6 -90.9 1.8 10.3 43.6 77.7 70 118 A H S >> S- 0 0 7 1,-0.1 4,-1.6 34,-0.1 3,-0.9 -0.190 80.4-105.4 -79.4 167.9 11.2 45.5 74.5 71 119 A T H 3> S+ 0 0 2 1,-0.2 4,-1.7 2,-0.2 5,-0.2 0.772 115.2 56.5 -62.6 -36.5 9.3 45.9 71.3 72 120 A D H 34 S+ 0 0 11 1,-0.2 -32,-0.6 2,-0.2 -1,-0.2 0.690 118.5 33.3 -74.9 -17.7 11.4 43.5 69.2 73 121 A R H <4 S+ 0 0 0 -3,-0.9 -34,-2.5 -34,-0.2 -6,-0.2 0.566 133.8 25.4-107.3 -14.2 10.7 40.6 71.7 74 122 A A H >< S+ 0 0 3 -4,-1.6 3,-1.9 -36,-0.2 4,-0.2 0.385 87.5 100.0-129.6 -2.2 7.1 41.5 72.8 75 123 A G T >< S+ 0 0 5 -4,-1.7 3,-0.5 -5,-0.3 -34,-0.2 0.839 81.3 55.2 -61.2 -32.9 5.6 43.6 70.0 76 124 A G T >> S+ 0 0 0 -36,-1.9 4,-1.6 -34,-0.3 3,-1.4 0.498 75.8 107.1 -70.6 -5.5 3.7 40.7 68.5 77 125 A N H <> + 0 0 2 -3,-1.9 4,-2.7 1,-0.3 5,-0.3 0.812 69.9 59.2 -55.8 -39.6 1.9 39.9 71.8 78 126 A A H <> S+ 0 0 36 -3,-0.5 4,-1.9 -4,-0.2 -1,-0.3 0.874 109.8 45.1 -52.6 -41.5 -1.6 41.3 70.8 79 127 A Y H <> S+ 0 0 23 -3,-1.4 4,-1.5 2,-0.2 -1,-0.2 0.922 111.6 50.5 -71.8 -47.2 -1.7 38.8 67.9 80 128 A W H <>S+ 0 0 0 -4,-1.6 5,-2.1 1,-0.2 3,-0.4 0.931 112.8 46.3 -61.8 -41.2 -0.5 35.8 69.9 81 129 A K H ><5S+ 0 0 76 -4,-2.7 3,-2.1 1,-0.2 -1,-0.2 0.922 107.3 60.2 -63.3 -40.5 -3.1 36.4 72.7 82 130 A S H 3<5S+ 0 0 100 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.773 105.5 46.4 -59.8 -34.2 -5.7 36.9 70.0 83 131 A I T 3<5S- 0 0 63 -4,-1.5 -1,-0.3 -3,-0.4 -2,-0.2 0.365 123.8-100.7 -93.8 11.8 -5.2 33.4 68.7 84 133 A G T < 5S+ 0 0 65 -3,-2.1 2,-0.3 1,-0.3 -3,-0.2 0.583 74.4 141.2 90.2 2.3 -5.2 31.7 72.3 85 134 A A < - 0 0 2 -5,-2.1 -1,-0.3 -6,-0.2 -22,-0.3 -0.603 53.5-118.7 -78.8 143.0 -1.4 31.3 72.7 86 135 A K E -e 63 0A 117 -24,-2.6 -22,-2.2 -2,-0.3 2,-0.5 -0.513 17.5-138.5 -72.4 145.1 -0.1 32.0 76.2 87 136 A V E -e 64 0A 0 -24,-0.2 38,-2.3 -2,-0.2 37,-1.5 -0.965 27.2-164.0-109.1 123.5 2.4 34.9 76.5 88 137 A V E +ef 65 125A 2 -24,-2.9 -22,-2.7 -2,-0.5 2,-0.3 -0.847 20.9 137.0-120.9 134.4 5.2 33.8 78.8 89 138 A S E - f 0 126A 0 36,-2.2 38,-2.7 -2,-0.4 2,-0.1 -0.972 50.5 -84.9-157.2 173.7 7.9 35.7 80.6 90 139 A T E > - f 0 127A 14 -24,-0.4 4,-2.3 -2,-0.3 38,-0.2 -0.475 44.3-111.4 -72.5 160.9 9.8 36.1 83.9 91 140 A R H > S+ 0 0 104 36,-2.5 4,-2.5 1,-0.2 5,-0.2 0.899 118.9 55.1 -58.0 -42.8 8.2 38.3 86.6 92 141 A Q H > S+ 0 0 66 35,-0.3 4,-2.3 2,-0.2 -1,-0.2 0.889 108.5 47.2 -59.8 -44.1 11.0 40.8 86.1 93 142 A T H > S+ 0 0 0 2,-0.2 4,-2.5 57,-0.2 -1,-0.2 0.929 113.1 49.3 -63.3 -42.0 10.3 41.1 82.4 94 143 A R H X S+ 0 0 68 -4,-2.3 4,-2.2 1,-0.2 -2,-0.2 0.916 112.0 47.8 -65.0 -41.9 6.6 41.5 83.1 95 144 A D H X S+ 0 0 76 -4,-2.5 4,-1.9 1,-0.2 -1,-0.2 0.899 113.1 47.1 -69.4 -42.9 7.1 44.2 85.7 96 145 A L H X S+ 0 0 37 -4,-2.3 4,-3.1 2,-0.2 -1,-0.2 0.870 109.9 54.4 -62.4 -38.8 9.5 46.2 83.5 97 146 A M H X S+ 0 0 1 -4,-2.5 4,-1.8 -5,-0.2 -2,-0.2 0.947 108.2 50.1 -60.9 -43.4 7.0 45.9 80.6 98 147 A K H < S+ 0 0 116 -4,-2.2 4,-0.2 1,-0.2 -2,-0.2 0.932 121.5 31.7 -59.7 -45.8 4.3 47.3 82.8 99 148 A S H < S+ 0 0 79 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.845 131.1 31.5 -84.0 -33.3 6.3 50.3 84.0 100 149 A D H X S+ 0 0 38 -4,-3.1 4,-2.2 -5,-0.2 5,-0.2 0.371 81.7 101.4-116.2 6.6 8.4 50.9 80.9 101 150 A W H X S+ 0 0 16 -4,-1.8 4,-2.5 1,-0.2 5,-0.2 0.932 85.8 50.9 -59.1 -49.6 6.5 49.9 77.8 102 151 A A H > S+ 0 0 79 -4,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.901 110.8 50.7 -54.2 -40.8 5.6 53.4 76.8 103 152 A E H > S+ 0 0 109 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.904 111.4 45.2 -66.2 -45.5 9.2 54.4 77.1 104 153 A I H X S+ 0 0 4 -4,-2.2 4,-2.6 2,-0.2 -1,-0.2 0.876 112.7 52.1 -68.2 -35.8 10.6 51.6 74.9 105 154 A V H X S+ 0 0 2 -4,-2.5 4,-2.2 -5,-0.2 -2,-0.2 0.943 112.5 45.2 -62.1 -46.8 7.9 52.2 72.3 106 155 A A H X S+ 0 0 62 -4,-2.4 4,-1.2 -5,-0.2 -2,-0.2 0.920 114.5 48.8 -64.2 -41.0 8.8 56.0 72.2 107 156 A F H X S+ 0 0 53 -4,-2.5 4,-1.1 1,-0.2 3,-0.3 0.897 110.9 50.3 -64.8 -39.1 12.5 55.1 72.1 108 157 A T H X S+ 0 0 13 -4,-2.6 4,-1.9 1,-0.2 3,-0.3 0.917 109.4 52.3 -64.8 -40.8 11.8 52.6 69.2 109 158 A R H < S+ 0 0 97 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.691 95.3 68.2 -72.3 -20.9 9.9 55.2 67.3 110 159 A K H < S+ 0 0 166 -4,-1.2 -1,-0.2 -3,-0.3 -2,-0.2 0.955 115.9 27.3 -60.8 -46.4 12.7 57.8 67.6 111 160 A G H < S+ 0 0 63 -4,-1.1 -2,-0.2 -3,-0.3 -1,-0.2 0.751 135.6 34.2 -85.3 -25.3 14.7 55.5 65.2 112 161 A L >< + 0 0 22 -4,-1.9 3,-2.1 -5,-0.1 -1,-0.2 -0.737 62.3 172.7-132.2 72.0 11.8 54.0 63.5 113 162 A P T 3 S+ 0 0 87 0, 0.0 -4,-0.1 0, 0.0 -1,-0.1 0.792 79.5 64.3 -56.8 -28.1 8.9 56.6 63.2 114 163 A E T 3 S+ 0 0 124 -3,-0.1 -5,-0.1 2,-0.1 -3,-0.0 0.615 78.9 106.5 -66.0 -19.0 7.0 54.1 61.0 115 164 A Y S < S- 0 0 0 -3,-2.1 -3,-0.0 -7,-0.1 -73,-0.0 -0.478 79.8-108.7 -65.9 133.1 6.8 51.7 64.0 116 165 A P - 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