==== 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 14-MAY-08 3D4E . COMPND 2 MOLECULE: PUTATIVE BETA-LACTAMASE INHIBITOR PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: STREPTOCOCCUS MUTANS; . AUTHOR JOINT CENTER FOR STRUCTURAL GENOMICS (JCSG) . 162 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8856.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 108 66.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 2 1.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 55 34.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 5 3.1 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 . 12 7.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 11 6.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 22 13.6 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+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 1 1 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 0 PARALLEL BRIDGES PER LADDER . 1 0 0 1 0 2 4 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 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 45 A K 0 0 134 0, 0.0 2,-0.5 0, 0.0 84,-0.1 0.000 360.0 360.0 360.0 124.1 83.2 30.0 0.5 2 46 A T > - 0 0 28 82,-0.2 3,-0.8 2,-0.0 2,-0.2 -0.725 360.0-144.1 -86.6 123.4 79.8 28.6 1.2 3 47 A E T 3 S+ 0 0 79 -2,-0.5 79,-0.2 1,-0.2 81,-0.0 -0.586 85.8 19.5 -81.3 146.7 77.2 28.9 -1.5 4 48 A N T 3> S+ 0 0 27 -2,-0.2 4,-1.7 1,-0.1 3,-0.3 0.674 83.2 141.1 71.2 16.6 73.6 29.5 -0.4 5 49 A L H <> + 0 0 56 -3,-0.8 4,-2.6 1,-0.2 5,-0.2 0.879 62.2 55.7 -60.0 -42.1 75.0 30.7 2.9 6 50 A D H > S+ 0 0 128 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.874 105.5 53.2 -65.0 -33.0 72.5 33.6 3.4 7 51 A F H > S+ 0 0 17 -3,-0.3 4,-1.3 1,-0.2 -1,-0.2 0.938 112.3 45.3 -64.5 -47.5 69.5 31.2 3.0 8 52 A R H X S+ 0 0 1 -4,-1.7 4,-0.7 1,-0.2 -2,-0.2 0.877 114.0 47.7 -61.9 -44.4 71.0 29.0 5.7 9 53 A L H >< S+ 0 0 71 -4,-2.6 3,-0.9 1,-0.2 4,-0.3 0.872 107.0 56.0 -70.3 -35.1 71.8 31.8 8.0 10 54 A S H >< S+ 0 0 23 -4,-2.6 3,-1.7 1,-0.2 4,-0.4 0.831 96.0 67.5 -61.9 -30.8 68.3 33.4 7.6 11 55 A F H >< S+ 0 0 0 -4,-1.3 3,-1.6 1,-0.3 -1,-0.2 0.849 89.6 64.9 -55.9 -31.5 67.0 30.0 8.7 12 56 A N T << S+ 0 0 63 -3,-0.9 -1,-0.3 -4,-0.7 -2,-0.2 0.694 91.7 63.7 -67.9 -16.0 68.5 30.9 12.1 13 57 A K T < S+ 0 0 114 -3,-1.7 2,-0.5 -4,-0.3 -1,-0.3 0.660 79.7 97.2 -77.8 -18.7 66.1 33.8 12.4 14 58 A I < - 0 0 2 -3,-1.6 2,-0.5 -4,-0.4 62,-0.1 -0.643 61.8-162.9 -80.9 124.5 63.1 31.4 12.4 15 59 A K - 0 0 91 -2,-0.5 12,-2.5 10,-0.1 2,-0.3 -0.920 11.6-144.5-114.1 122.3 62.0 30.8 16.0 16 60 A V - 0 0 7 -2,-0.5 58,-0.2 10,-0.2 103,-0.1 -0.637 39.5 -97.9 -77.3 135.4 59.8 28.0 17.1 17 61 A T - 0 0 3 56,-2.9 8,-0.1 -2,-0.3 -1,-0.1 -0.253 27.0-165.1 -50.8 142.8 57.5 29.0 20.0 18 62 A T + 0 0 111 6,-0.4 2,-0.9 -3,-0.1 -1,-0.1 0.148 59.1 108.9-109.7 8.3 58.6 28.1 23.5 19 63 A D > + 0 0 33 5,-0.5 4,-1.7 1,-0.1 -2,-0.1 -0.811 42.6 180.0 -90.9 98.6 55.1 28.8 24.9 20 64 A Q T 4 S+ 0 0 101 -2,-0.9 -1,-0.1 1,-0.2 104,-0.0 0.499 77.3 55.9 -82.0 -4.4 53.7 25.4 25.8 21 65 A N T 4 S- 0 0 132 3,-0.1 -1,-0.2 -3,-0.0 101,-0.1 0.898 132.6 -4.0 -86.7 -54.1 50.5 26.9 27.0 22 66 A H T 4 S- 0 0 146 2,-0.1 -2,-0.2 100,-0.0 100,-0.0 0.357 86.3-120.8-131.4 5.9 49.3 28.9 24.0 23 67 A F < + 0 0 52 -4,-1.7 3,-0.5 1,-0.2 46,-0.2 0.747 56.8 155.6 65.2 26.0 52.0 28.6 21.4 24 68 A S + 0 0 74 1,-0.2 -5,-0.5 -7,-0.0 -6,-0.4 -0.412 40.6 37.8 -84.4 157.8 52.7 32.3 21.1 25 69 A G S S+ 0 0 52 1,-0.3 -1,-0.2 -8,-0.1 2,-0.1 0.496 73.0 132.1 87.6 1.9 55.7 34.2 20.0 26 70 A G S S- 0 0 10 -3,-0.5 -1,-0.3 1,-0.2 -10,-0.2 -0.434 71.7 -70.4 -72.1 166.7 57.0 32.0 17.2 27 71 A T - 0 0 6 -12,-2.5 46,-1.5 45,-0.2 2,-0.2 -0.223 53.2-136.8 -60.2 141.5 57.9 33.5 13.9 28 72 A S > - 0 0 20 44,-0.2 4,-2.3 -3,-0.1 5,-0.1 -0.550 20.6-112.2 -95.0 166.7 55.0 34.9 11.8 29 73 A I H > S+ 0 0 17 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.849 117.6 57.9 -67.1 -35.7 54.4 34.6 8.1 30 74 A E H > S+ 0 0 110 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.936 109.7 44.9 -60.3 -41.4 55.0 38.4 7.7 31 75 A Q H > S+ 0 0 79 2,-0.2 4,-1.7 1,-0.2 -2,-0.2 0.939 111.5 51.6 -65.9 -48.0 58.4 37.9 9.2 32 76 A L H X S+ 0 0 0 -4,-2.3 4,-2.6 1,-0.2 5,-0.4 0.906 110.2 49.8 -56.5 -40.6 59.2 34.8 7.0 33 77 A K H X S+ 0 0 93 -4,-2.5 4,-2.0 1,-0.2 -1,-0.2 0.855 106.1 56.6 -71.3 -33.9 58.2 36.7 3.9 34 78 A Q H < S+ 0 0 150 -4,-1.7 -1,-0.2 -5,-0.2 -2,-0.2 0.887 117.9 34.1 -57.2 -39.2 60.4 39.7 4.8 35 79 A W H < S+ 0 0 71 -4,-1.7 -2,-0.2 -5,-0.1 -1,-0.2 0.822 136.5 18.0 -86.9 -36.4 63.4 37.3 5.0 36 80 A F H < S- 0 0 34 -4,-2.6 -3,-0.2 1,-0.3 -2,-0.2 0.456 93.2-133.8-119.7 -6.1 62.6 34.8 2.3 37 81 A G < - 0 0 32 -4,-2.0 -1,-0.3 -5,-0.4 -2,-0.1 -0.351 62.9 -9.8 74.3-163.9 60.0 36.4 -0.0 38 82 A D S S- 0 0 127 1,-0.1 2,-0.0 -2,-0.1 -5,-0.0 -0.406 79.6-111.7 -68.7 140.3 57.0 34.6 -1.2 39 83 A P - 0 0 30 0, 0.0 18,-0.2 0, 0.0 3,-0.1 -0.337 9.7-136.4 -66.5 150.1 56.9 30.8 -0.5 40 84 A N S S+ 0 0 104 16,-1.9 2,-0.3 1,-0.3 17,-0.2 0.795 88.1 7.9 -71.6 -30.3 57.1 28.4 -3.3 41 85 A K E +A 56 0A 139 15,-1.7 15,-2.8 2,-0.0 2,-0.3 -0.997 64.0 178.2-151.6 146.6 54.3 26.3 -1.8 42 86 A S E +A 55 0A 71 -2,-0.3 2,-0.3 13,-0.2 13,-0.2 -0.993 4.5 172.7-148.0 151.9 51.9 26.5 1.0 43 87 A E E -A 54 0A 98 11,-2.4 11,-3.1 -2,-0.3 2,-0.6 -0.996 33.5-116.3-156.9 153.2 49.2 24.4 2.4 44 88 A Q E -A 53 0A 125 -2,-0.3 2,-0.6 9,-0.2 9,-0.2 -0.823 27.6-157.2 -90.2 125.1 46.8 24.1 5.2 45 89 A R E -A 52 0A 116 7,-3.4 7,-2.5 -2,-0.6 2,-0.4 -0.920 13.8-169.9-108.9 112.4 47.4 20.9 7.3 46 90 A N E +A 51 0A 92 -2,-0.6 2,-0.3 5,-0.2 5,-0.2 -0.795 18.3 164.0-109.9 136.3 44.3 19.8 9.2 47 91 A A E > S-A 50 0A 70 3,-2.4 3,-2.3 -2,-0.4 -2,-0.0 -0.859 71.4 -43.2-149.5 115.7 44.0 17.2 11.9 48 92 A G T 3 S- 0 0 77 -2,-0.3 -1,-0.2 1,-0.3 0, 0.0 -0.380 122.1 -29.1 56.2-135.6 40.9 17.2 14.1 49 93 A N T 3 S+ 0 0 176 -3,-0.1 2,-0.5 2,-0.0 -1,-0.3 0.072 117.6 102.2 -98.4 22.5 40.3 20.8 15.0 50 94 A I E < -A 47 0A 100 -3,-2.3 -3,-2.4 2,-0.0 2,-0.4 -0.933 50.5-172.7-103.1 128.6 44.0 21.8 14.8 51 95 A T E -A 46 0A 50 -2,-0.5 19,-0.4 -5,-0.2 2,-0.4 -0.986 4.3-172.3-123.2 128.7 45.1 23.6 11.6 52 96 A L E -A 45 0A 32 -7,-2.5 -7,-3.4 -2,-0.4 2,-0.6 -0.945 18.9-139.0-112.5 140.8 48.7 24.4 10.8 53 97 A D E -AB 44 68A 52 15,-2.8 15,-2.6 -2,-0.4 2,-0.4 -0.924 21.7-160.0 -97.4 120.0 49.7 26.6 7.9 54 98 A S E -AB 43 67A 8 -11,-3.1 -11,-2.4 -2,-0.6 2,-0.4 -0.869 9.7-175.9-107.6 132.6 52.8 25.0 6.2 55 99 A Y E -AB 42 66A 35 11,-2.7 11,-2.4 -2,-0.4 2,-0.4 -0.976 3.7-165.8-130.8 138.6 55.0 27.2 4.0 56 100 A T E -AB 41 65A 33 -15,-2.8 -16,-1.9 -2,-0.4 -15,-1.7 -0.983 5.1-170.8-131.9 135.4 58.0 26.0 1.9 57 101 A W E - B 0 64A 5 7,-2.7 7,-2.8 -2,-0.4 2,-0.4 -0.959 6.5-162.8-119.6 142.7 60.9 27.9 0.2 58 102 A V E + B 0 63A 72 -2,-0.4 2,-0.3 5,-0.2 5,-0.2 -0.978 11.9 171.6-126.8 136.5 63.4 26.4 -2.1 59 103 A K E > S- B 0 62A 99 3,-2.4 3,-2.1 -2,-0.4 -2,-0.0 -0.908 75.0 -22.5-145.4 113.9 66.7 28.0 -3.2 60 104 A D T 3 S- 0 0 126 -2,-0.3 3,-0.1 1,-0.3 -2,-0.0 0.861 127.0 -50.5 52.6 42.1 69.3 26.1 -5.2 61 105 A G T 3 S+ 0 0 48 1,-0.3 -1,-0.3 20,-0.0 2,-0.2 0.120 111.7 121.2 85.0 -17.7 67.9 22.8 -4.1 62 106 A A E < -B 59 0A 0 -3,-2.1 -3,-2.4 16,-0.0 2,-0.5 -0.557 50.1-152.7 -75.1 145.3 67.9 23.7 -0.3 63 107 A V E -BC 58 79A 41 16,-1.6 16,-2.0 -5,-0.2 2,-0.5 -0.975 13.0-170.2-129.0 125.0 64.4 23.5 1.2 64 108 A I E -BC 57 78A 0 -7,-2.8 -7,-2.7 -2,-0.5 2,-0.4 -0.964 8.6-175.8-109.8 131.1 63.1 25.5 4.2 65 109 A N E -BC 56 77A 22 12,-2.5 12,-2.2 -2,-0.5 2,-0.4 -0.973 5.5-176.9-123.5 142.9 59.7 24.6 5.7 66 110 A A E -BC 55 76A 0 -11,-2.4 -11,-2.7 -2,-0.4 2,-0.5 -0.999 9.6-158.9-134.5 139.4 57.9 26.4 8.5 67 111 A Q E -BC 54 75A 33 8,-2.5 7,-3.1 -2,-0.4 8,-1.3 -0.972 14.8-164.8-120.1 127.5 54.6 25.2 10.1 68 112 A L E -BC 53 73A 0 -15,-2.6 -15,-2.8 -2,-0.5 2,-0.6 -0.910 15.8-155.7-120.4 134.4 52.6 27.9 11.9 69 113 A Y E > S- C 0 72A 68 3,-2.8 3,-1.1 -2,-0.4 -43,-0.1 -0.963 89.1 -18.3-106.0 119.4 49.6 27.6 14.4 70 114 A K T 3 S- 0 0 161 -2,-0.6 -1,-0.2 -19,-0.4 3,-0.1 0.902 132.5 -49.3 48.1 46.3 47.6 30.8 14.3 71 115 A N T 3 S+ 0 0 60 1,-0.2 2,-0.4 -3,-0.2 -1,-0.3 0.698 116.4 112.2 69.2 27.4 50.5 32.6 12.7 72 116 A S E < S-C 69 0A 9 -3,-1.1 -3,-2.8 -44,-0.1 -45,-0.2 -0.988 71.7-115.7-132.1 119.0 53.1 31.4 15.2 73 117 A T E +C 68 0A 0 -46,-1.5 -56,-2.9 -2,-0.4 -5,-0.3 -0.359 37.6 165.8 -62.3 124.4 55.9 28.9 14.1 74 118 A V E + 0 0 14 -7,-3.1 46,-1.9 1,-0.3 2,-0.3 0.449 68.5 22.6-110.6 -11.5 55.6 25.5 15.8 75 119 A A E +CD 67 119A 16 -8,-1.3 -8,-2.5 44,-0.2 -1,-0.3 -0.977 61.7 175.2-155.8 146.4 58.0 23.6 13.5 76 120 A R E +CD 66 118A 24 42,-2.5 42,-2.8 -2,-0.3 2,-0.3 -0.988 2.1 175.2-149.4 149.9 60.8 24.4 11.1 77 121 A S E -CD 65 117A 33 -12,-2.2 -12,-2.5 -2,-0.3 2,-0.4 -0.987 15.2-160.6-153.5 153.2 63.4 22.5 9.0 78 122 A I E +CD 64 116A 6 38,-2.4 38,-0.6 -2,-0.3 2,-0.3 -0.992 19.7 177.9-127.8 138.1 66.1 23.0 6.4 79 123 A S E +C 63 0A 44 -16,-2.0 -16,-1.6 -2,-0.4 3,-0.1 -0.888 51.5 32.3-130.1 164.2 67.3 20.3 4.1 80 124 A N S S+ 0 0 120 -2,-0.3 2,-0.3 -18,-0.2 -1,-0.1 0.893 84.2 118.9 60.8 50.1 69.8 19.8 1.3 81 125 A F - 0 0 14 -3,-0.1 2,-0.3 -19,-0.1 -1,-0.2 -0.999 35.2-178.7-142.1 140.1 72.4 22.3 2.5 82 126 A S - 0 0 62 -2,-0.3 -79,-0.2 -79,-0.2 2,-0.1 -0.996 21.8-131.0-136.7 138.9 76.1 22.1 3.5 83 127 A F - 0 0 23 -2,-0.3 2,-0.6 -81,-0.1 51,-0.1 -0.401 15.9-132.1 -70.2 154.6 78.6 24.7 4.7 84 128 A S + 0 0 71 -2,-0.1 2,-0.3 49,-0.1 -82,-0.2 -0.982 55.6 138.3-104.8 109.7 82.0 25.0 3.2 85 129 A R - 0 0 82 -2,-0.6 49,-0.5 -84,-0.1 2,-0.1 -0.965 55.4 -73.7-152.5 165.1 84.1 25.2 6.3 86 130 A E - 0 0 72 -2,-0.3 2,-0.7 1,-0.1 50,-0.1 -0.341 48.7-109.9 -68.5 140.0 87.3 24.0 8.0 87 131 A A + 0 0 64 1,-0.2 48,-0.2 48,-0.1 -1,-0.1 -0.619 60.7 140.6 -71.9 110.6 87.5 20.4 9.2 88 132 A K + 0 0 163 46,-2.4 2,-0.6 -2,-0.7 47,-0.2 0.574 37.1 89.4-127.1 -23.3 87.5 20.8 13.0 89 133 A I B +i 135 0B 5 45,-3.1 47,-2.9 21,-0.1 2,-0.2 -0.743 53.0 179.7 -92.1 119.0 85.4 18.0 14.4 90 134 A G > - 0 0 16 -2,-0.6 4,-2.1 45,-0.2 3,-0.5 -0.561 45.9 -94.3-108.4 174.7 87.2 14.8 15.2 91 135 A K H > S+ 0 0 56 45,-0.3 4,-2.6 1,-0.2 5,-0.2 0.878 123.8 56.6 -53.3 -33.7 86.3 11.4 16.6 92 136 A E H > S+ 0 0 58 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.900 103.8 51.7 -68.9 -37.7 87.3 12.6 20.1 93 137 A D H > S+ 0 0 58 -3,-0.5 4,-0.6 1,-0.2 -1,-0.2 0.913 112.6 47.4 -61.7 -44.5 84.9 15.5 19.9 94 138 A Y H >< S+ 0 0 16 -4,-2.1 3,-1.2 1,-0.2 -2,-0.2 0.915 109.8 51.7 -59.6 -44.8 82.2 13.0 19.0 95 139 A D H 3< S+ 0 0 85 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.826 104.2 59.1 -65.9 -31.1 83.1 10.6 21.8 96 140 A E H 3< S+ 0 0 129 -4,-1.8 -1,-0.3 -5,-0.2 2,-0.2 0.666 78.3 106.5 -72.8 -18.2 82.9 13.5 24.3 97 141 A L << - 0 0 7 -3,-1.2 2,-0.4 -4,-0.6 59,-0.1 -0.479 57.7-161.9 -68.4 129.7 79.2 14.2 23.5 98 142 A K > - 0 0 73 -2,-0.2 3,-2.3 57,-0.0 55,-0.3 -0.895 25.5-102.2-121.1 141.5 77.1 13.0 26.4 99 143 A I T 3 S+ 0 0 116 -2,-0.4 55,-0.2 1,-0.3 3,-0.1 -0.394 112.8 29.3 -54.6 128.6 73.5 12.2 26.8 100 144 A G T 3 S+ 0 0 43 53,-2.3 -1,-0.3 1,-0.4 2,-0.2 0.283 87.0 134.7 97.1 -9.0 71.9 15.1 28.7 101 145 A E < - 0 0 26 -3,-2.3 52,-3.1 52,-0.2 -1,-0.4 -0.474 60.3-106.4 -71.1 141.5 74.4 17.6 27.2 102 146 A S B > -E 152 0A 44 50,-0.2 4,-2.2 -2,-0.2 50,-0.2 -0.397 8.4-132.1 -74.4 144.7 72.7 20.9 26.0 103 147 A Y H > S+ 0 0 49 48,-2.5 4,-2.7 1,-0.2 5,-0.3 0.900 109.9 58.0 -52.6 -43.5 72.3 21.7 22.4 104 148 A K H > S+ 0 0 76 47,-0.4 4,-1.6 1,-0.2 -1,-0.2 0.920 107.4 45.1 -56.9 -46.0 73.7 25.2 23.2 105 149 A K H > S+ 0 0 114 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.907 112.3 52.7 -63.8 -40.0 76.9 23.7 24.6 106 150 A I H X S+ 0 0 0 -4,-2.2 4,-3.1 1,-0.2 5,-0.4 0.906 106.3 51.3 -68.7 -38.2 77.2 21.3 21.6 107 151 A V H X S+ 0 0 35 -4,-2.7 4,-2.0 1,-0.2 -1,-0.2 0.896 107.6 54.1 -66.1 -31.3 76.8 24.1 19.1 108 152 A E H < S+ 0 0 153 -4,-1.6 -1,-0.2 -5,-0.3 -2,-0.2 0.877 116.9 38.7 -64.8 -37.4 79.6 26.0 20.9 109 153 A K H < S+ 0 0 77 -4,-1.7 -2,-0.2 -5,-0.1 -1,-0.2 0.862 130.9 23.8 -79.7 -41.1 81.8 22.9 20.5 110 154 A L H < S- 0 0 13 -4,-3.1 -3,-0.2 1,-0.3 -2,-0.2 0.551 101.3-123.5-106.1 -10.0 80.9 21.7 17.0 111 155 A G < - 0 0 29 -4,-2.0 -1,-0.3 -5,-0.4 -2,-0.1 -0.212 57.2 -33.3 77.7 174.0 79.6 24.9 15.3 112 156 A E - 0 0 66 1,-0.1 2,-0.1 -4,-0.1 -5,-0.0 -0.378 69.3-110.9 -65.7 141.6 76.2 25.0 13.8 113 157 A P - 0 0 0 0, 0.0 18,-0.3 0, 0.0 -1,-0.1 -0.399 21.7-124.4 -65.0 151.7 74.8 21.8 12.2 114 158 A D S S+ 0 0 0 16,-1.3 2,-0.3 1,-0.2 17,-0.2 0.925 91.0 7.2 -60.6 -48.7 74.5 22.0 8.4 115 159 A V E + F 0 130A 24 15,-1.7 15,-2.4 -35,-0.0 2,-0.3 -0.947 69.5 173.5-133.4 157.3 70.8 21.1 8.6 116 160 A L E -DF 78 129A 5 -38,-0.6 -38,-2.4 -2,-0.3 2,-0.3 -0.987 19.9-152.4-158.2 160.0 68.2 20.6 11.3 117 161 A S E -DF 77 128A 45 11,-2.3 11,-2.9 -2,-0.3 2,-0.4 -0.989 20.0-178.6-135.9 131.4 64.5 20.1 11.9 118 162 A Q E +DF 76 127A 32 -42,-2.8 -42,-2.5 -2,-0.3 2,-0.3 -0.985 6.2 163.5-136.5 133.7 62.8 21.3 15.2 119 163 A S E -DF 75 126A 42 7,-2.1 7,-2.6 -2,-0.4 2,-0.4 -0.981 13.1-158.3-145.6 162.9 59.2 21.0 16.4 120 164 A X E - F 0 125A 25 -46,-1.9 2,-0.3 -2,-0.3 5,-0.2 -0.983 9.4-178.7-141.1 158.8 57.3 21.4 19.6 121 165 A S - 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