==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=10-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 07-JUL-10 3NUR . COMPND 2 MOLECULE: AMIDOHYDROLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: STAPHYLOCOCCUS AUREUS; . AUTHOR W.QIU,R.LAM,V.ROMANOV,K.LAM,M.SOLOVEYCHIK,E.F.PAI,N.Y.CHIRGA . 305 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13822.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 222 72.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 34 11.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.7 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.3 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 . 10 3.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 40 13.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 113 37.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 12 3.9 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 2 0 1 4 2 0 2 1 0 1 0 1 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 0 3 1 0 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 PARALLEL BRIDGES PER LADDER . 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 ANTIPARALLEL BRIDGES PER LADDER . 0 0 1 0 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 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 22 A X 0 0 120 0, 0.0 2,-0.2 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 125.1 21.9 10.3 33.3 2 23 A K - 0 0 102 38,-0.1 2,-0.3 1,-0.0 38,-0.2 -0.476 360.0-151.5 -86.6 151.3 23.6 13.8 33.5 3 24 A S E -a 40 0A 4 36,-1.7 38,-2.1 -2,-0.2 39,-1.9 -0.817 18.2-139.5-122.4 161.4 22.2 17.0 31.9 4 25 A I E -a 42 0A 1 292,-2.6 262,-0.6 -2,-0.3 2,-0.4 -0.984 28.4-154.2-110.9 123.6 23.3 20.3 30.4 5 26 A T E -ab 43 266A 0 37,-3.0 39,-2.7 -2,-0.5 262,-0.3 -0.895 9.1-167.2-108.7 134.0 20.9 23.0 31.6 6 27 A F E S+ 0 0 2 260,-2.4 2,-0.4 -2,-0.4 261,-0.2 0.544 72.1 51.5-100.9 -13.1 20.4 26.2 29.4 7 28 A E E + 0 0 0 259,-0.1 262,-1.2 2,-0.0 2,-0.4 -0.712 68.6 140.3-127.7 75.1 18.5 28.9 31.3 8 29 A E E -a 45 0A 0 36,-1.2 38,-2.0 -2,-0.4 2,-0.3 -0.993 36.0-146.7-125.1 126.7 20.4 29.2 34.6 9 30 A H E +a 46 0A 1 261,-3.2 2,-0.3 -2,-0.4 38,-0.2 -0.699 20.9 175.2-108.4 154.5 20.9 32.6 36.1 10 31 A Y E -a 47 0A 0 36,-1.9 38,-2.5 -2,-0.3 2,-0.3 -0.954 7.6-165.7-139.7 158.9 23.3 34.6 38.2 11 32 A V B -d 24 0B 3 12,-2.0 14,-2.6 -2,-0.3 2,-0.5 -0.923 19.1-131.3-137.4 162.2 23.6 38.2 39.4 12 33 A I >> - 0 0 9 -2,-0.3 4,-2.6 12,-0.2 3,-0.7 -0.985 12.7-143.6-117.8 118.7 26.5 40.3 40.8 13 34 A E H 3> S+ 0 0 97 -2,-0.5 4,-1.7 1,-0.2 5,-0.1 0.876 100.8 50.0 -46.6 -49.5 25.6 42.2 44.0 14 35 A D H 3> S+ 0 0 105 1,-0.2 4,-0.8 2,-0.2 -1,-0.2 0.819 112.8 47.2 -62.4 -32.4 27.8 45.2 43.1 15 36 A I H <> S+ 0 0 4 -3,-0.7 4,-2.4 1,-0.2 3,-0.5 0.875 108.0 56.7 -76.1 -37.1 26.2 45.4 39.6 16 37 A Q H < S+ 0 0 59 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.838 101.3 56.2 -61.4 -35.9 22.8 45.1 41.2 17 38 A K H < S+ 0 0 143 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.842 113.7 42.0 -62.9 -34.2 23.5 48.2 43.4 18 39 A E H < 0 0 115 -4,-0.8 -2,-0.2 -3,-0.5 -1,-0.2 0.843 360.0 360.0 -81.5 -41.2 24.2 50.1 40.1 19 40 A T < 0 0 58 -4,-2.4 -1,-0.2 31,-0.1 -2,-0.1 -0.214 360.0 360.0 -77.3 360.0 21.3 48.8 37.9 20 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 21 68 A N > 0 0 133 0, 0.0 3,-1.9 0, 0.0 6,-0.2 0.000 360.0 360.0 360.0 -20.0 19.4 35.9 47.1 22 69 A A T 3 + 0 0 10 1,-0.3 5,-0.1 249,-0.1 9,-0.1 0.582 360.0 71.0 -63.3 -10.7 20.5 32.5 45.6 23 70 A D T 3 S+ 0 0 21 -13,-0.1 -12,-2.0 248,-0.1 -1,-0.3 0.746 71.7 109.6 -77.1 -19.5 21.0 34.2 42.2 24 71 A E B X S-d 11 0B 34 -3,-1.9 3,-2.7 -14,-0.2 -12,-0.2 -0.330 77.2-130.4 -60.3 128.3 24.1 36.0 43.6 25 72 A L T 3 S+ 0 0 17 -14,-2.6 -1,-0.1 1,-0.3 -13,-0.1 0.754 105.7 66.3 -53.1 -25.4 27.2 34.5 42.0 26 73 A S T 3 S+ 0 0 99 1,-0.2 2,-1.5 2,-0.1 3,-0.4 0.628 77.3 87.0 -70.5 -16.3 28.8 34.1 45.5 27 74 A H <> + 0 0 43 -3,-2.7 4,-1.6 1,-0.2 -1,-0.2 -0.293 52.0 142.8 -83.5 53.8 26.0 31.5 46.4 28 75 A H H > + 0 0 27 -2,-1.5 4,-2.7 1,-0.2 -1,-0.2 0.869 62.6 51.7 -62.2 -49.8 28.2 28.6 44.9 29 76 A D H > S+ 0 0 131 -3,-0.4 4,-2.4 2,-0.2 -1,-0.2 0.885 108.8 50.7 -62.0 -39.3 27.4 25.9 47.4 30 77 A E H > S+ 0 0 91 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.913 112.7 48.4 -63.5 -39.9 23.6 26.3 47.0 31 78 A R H X S+ 0 0 0 -4,-1.6 4,-2.4 2,-0.2 -2,-0.2 0.930 113.4 45.5 -64.5 -49.2 24.1 26.1 43.2 32 79 A I H X S+ 0 0 28 -4,-2.7 4,-2.9 2,-0.2 5,-0.2 0.856 109.5 55.4 -64.5 -38.9 26.2 23.0 43.4 33 80 A Q H X S+ 0 0 129 -4,-2.4 4,-2.4 -5,-0.2 -1,-0.2 0.941 110.9 45.6 -58.5 -47.5 23.9 21.3 45.9 34 81 A F H X S+ 0 0 16 -4,-1.9 4,-1.5 2,-0.2 -2,-0.2 0.937 114.9 46.4 -61.9 -50.1 21.0 21.8 43.4 35 82 A X H <>S+ 0 0 0 -4,-2.4 5,-3.0 2,-0.2 3,-0.2 0.924 114.4 47.0 -59.8 -47.3 23.0 20.6 40.3 36 83 A N H ><5S+ 0 0 84 -4,-2.9 3,-1.0 1,-0.2 -1,-0.2 0.903 113.7 47.3 -62.9 -42.7 24.4 17.5 42.1 37 84 A N H 3<5S+ 0 0 113 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.730 116.5 44.7 -69.0 -27.2 21.0 16.4 43.5 38 85 A Q T 3<5S- 0 0 31 -4,-1.5 -1,-0.2 -3,-0.2 -2,-0.2 0.209 112.9-113.5-103.2 12.8 19.3 16.9 40.1 39 86 A D T < 5 + 0 0 63 -3,-1.0 -36,-1.7 1,-0.2 2,-0.7 0.822 61.1 155.3 60.1 35.1 22.0 15.2 38.0 40 87 A V E < +a 3 0A 1 -5,-3.0 -1,-0.2 -38,-0.2 -36,-0.2 -0.871 21.8 179.4 -94.1 119.2 23.0 18.4 36.2 41 88 A Q E S+ 0 0 55 -38,-2.1 2,-0.4 -2,-0.7 -37,-0.2 0.885 70.3 24.2 -82.5 -45.7 26.6 18.2 35.0 42 89 A I E -a 4 0A 13 -39,-1.9 -37,-3.0 -7,-0.1 2,-0.5 -0.987 56.9-162.5-129.6 137.6 26.6 21.7 33.4 43 90 A Q E -ac 5 82A 0 38,-2.1 40,-1.8 -2,-0.4 2,-0.7 -0.947 18.6-143.8-107.7 132.8 24.7 24.9 33.9 44 91 A V E - c 0 83A 0 -39,-2.7 -36,-1.2 -2,-0.5 2,-0.4 -0.880 30.6-141.5 -92.6 111.8 25.0 27.4 31.0 45 92 A L E +ac 8 84A 0 38,-3.0 40,-2.5 -2,-0.7 2,-0.3 -0.702 29.3 166.2 -92.7 135.1 25.1 30.7 33.0 46 93 A S E -a 9 0A 0 -38,-2.0 -36,-1.9 -2,-0.4 40,-0.1 -0.954 44.4 -86.9-137.9 153.9 23.4 34.0 32.0 47 94 A Y E -a 10 0A 1 -2,-0.3 -36,-0.2 -38,-0.2 4,-0.1 -0.394 46.6-159.0 -65.2 136.8 22.6 37.3 33.9 48 95 A G > - 0 0 1 -38,-2.5 3,-0.8 1,-0.3 -1,-0.1 0.349 47.6 -1.2 -91.1-142.0 19.3 37.2 35.8 49 96 A N T 3 S+ 0 0 84 1,-0.2 -1,-0.3 2,-0.0 98,-0.0 -0.224 127.4 18.4 -55.8 136.8 17.0 39.9 37.1 50 97 A G T 3 S- 0 0 39 1,-0.2 -1,-0.2 -3,-0.1 -31,-0.1 0.786 83.2-171.1 73.2 30.2 18.0 43.5 36.6 51 98 A S X - 0 0 8 -3,-0.8 3,-1.6 1,-0.1 -1,-0.2 -0.243 29.3-129.3 -52.2 138.6 20.5 42.6 33.8 52 99 A P G > S+ 0 0 0 0, 0.0 3,-1.4 0, 0.0 12,-0.2 0.573 97.8 86.7 -67.9 -5.6 22.7 45.7 32.7 53 100 A S G 3 S+ 0 0 3 1,-0.2 38,-0.6 10,-0.1 37,-0.2 0.730 81.9 59.5 -62.9 -23.4 21.7 44.9 29.1 54 101 A N G < S+ 0 0 73 -3,-1.6 -1,-0.2 36,-0.1 6,-0.1 0.558 91.0 88.2 -84.5 -6.3 18.6 47.1 29.7 55 102 A L S < S- 0 0 44 -3,-1.4 36,-0.4 -4,-0.1 2,-0.3 -0.234 75.1-119.2 -80.3 175.2 20.7 50.2 30.5 56 103 A V >> - 0 0 71 34,-0.1 4,-1.2 35,-0.1 3,-0.5 -0.823 52.7 -17.5-120.2 161.5 22.0 52.7 27.9 57 104 A G H 3> S- 0 0 16 -2,-0.3 4,-2.1 1,-0.2 3,-0.3 -0.017 114.2 -12.2 55.4-147.9 25.3 54.0 26.6 58 105 A Q H 3> S+ 0 0 116 1,-0.2 4,-3.0 2,-0.2 5,-0.2 0.826 132.9 57.0 -55.6 -40.5 28.7 53.8 28.3 59 106 A K H <> S+ 0 0 95 -3,-0.5 4,-2.5 2,-0.2 -1,-0.2 0.917 108.6 47.0 -59.2 -44.7 27.2 52.6 31.6 60 107 A A H X S+ 0 0 0 -4,-1.2 4,-2.3 -3,-0.3 -2,-0.2 0.930 114.1 48.9 -61.0 -46.3 25.5 49.6 29.9 61 108 A I H X S+ 0 0 23 -4,-2.1 4,-2.3 2,-0.2 -2,-0.2 0.939 114.1 43.9 -57.3 -54.7 28.8 48.8 28.1 62 109 A E H X S+ 0 0 95 -4,-3.0 4,-2.0 1,-0.2 -2,-0.2 0.881 115.1 48.1 -61.8 -43.3 31.0 49.0 31.3 63 110 A L H X S+ 0 0 15 -4,-2.5 4,-2.1 -5,-0.2 -1,-0.2 0.862 111.5 49.4 -70.0 -34.3 28.5 47.0 33.5 64 111 A C H X S+ 0 0 0 -4,-2.3 4,-2.8 -5,-0.2 23,-0.2 0.918 111.0 51.3 -67.8 -42.6 28.1 44.2 30.8 65 112 A Q H X S+ 0 0 70 -4,-2.3 4,-2.4 1,-0.2 -2,-0.2 0.906 111.5 47.8 -58.1 -42.2 31.9 44.0 30.5 66 113 A K H X S+ 0 0 103 -4,-2.0 4,-2.5 2,-0.2 5,-0.2 0.899 110.9 49.8 -65.8 -43.9 32.2 43.7 34.3 67 114 A A H X S+ 0 0 0 -4,-2.1 4,-2.6 2,-0.2 -2,-0.2 0.957 113.3 46.7 -62.1 -48.5 29.5 41.0 34.5 68 115 A N H X S+ 0 0 0 -4,-2.8 4,-2.6 1,-0.2 -2,-0.2 0.889 113.0 49.2 -60.4 -41.4 31.2 38.9 31.7 69 116 A D H X S+ 0 0 67 -4,-2.4 4,-1.9 2,-0.2 -1,-0.2 0.911 112.8 46.4 -64.6 -44.0 34.6 39.3 33.3 70 117 A Q H X S+ 0 0 76 -4,-2.5 4,-1.8 2,-0.2 -2,-0.2 0.890 112.9 50.5 -67.0 -38.3 33.3 38.2 36.8 71 118 A L H X S+ 0 0 0 -4,-2.6 4,-2.5 -5,-0.2 -2,-0.2 0.934 109.3 50.5 -62.3 -47.7 31.4 35.3 35.2 72 119 A A H X S+ 0 0 16 -4,-2.6 4,-2.1 1,-0.2 -2,-0.2 0.860 109.0 52.2 -57.9 -40.3 34.6 34.2 33.3 73 120 A N H X S+ 0 0 110 -4,-1.9 4,-0.8 2,-0.2 -1,-0.2 0.865 111.6 47.6 -63.0 -38.2 36.6 34.3 36.6 74 121 A Y H >X S+ 0 0 16 -4,-1.8 4,-1.1 2,-0.2 3,-0.7 0.919 111.6 48.1 -69.2 -46.2 34.0 32.1 38.3 75 122 A I H 3< S+ 0 0 22 -4,-2.5 3,-0.4 1,-0.2 7,-0.2 0.879 103.7 62.1 -64.1 -37.2 33.8 29.5 35.4 76 123 A A H 3< S+ 0 0 75 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.796 103.6 50.8 -58.5 -30.3 37.7 29.3 35.4 77 124 A Q H << S+ 0 0 129 -4,-0.8 -1,-0.2 -3,-0.7 -2,-0.2 0.813 126.8 23.1 -75.7 -34.0 37.4 28.0 39.1 78 125 A Y S >X S+ 0 0 78 -4,-1.1 3,-1.3 -3,-0.4 4,-0.9 -0.563 74.4 158.6-129.3 63.6 34.8 25.3 38.1 79 126 A P T 34 S+ 0 0 80 0, 0.0 -1,-0.1 0, 0.0 -3,-0.1 0.654 71.5 56.6 -67.1 -18.8 35.4 24.7 34.3 80 127 A N T 34 S+ 0 0 125 1,-0.1 3,-0.1 -5,-0.1 -5,-0.0 0.611 111.8 41.2 -85.5 -12.0 33.8 21.2 34.3 81 128 A R T <4 S+ 0 0 46 -3,-1.3 -38,-2.1 -6,-0.2 2,-0.3 0.527 110.7 50.3-112.0 -11.6 30.5 22.4 35.7 82 129 A F E < -c 43 0A 4 -4,-0.9 2,-0.3 -40,-0.2 -38,-0.2 -0.978 45.7-175.4-137.4 148.2 29.8 25.7 33.9 83 130 A V E -c 44 0A 17 -40,-1.8 -38,-3.0 -2,-0.3 2,-0.4 -0.966 29.7-126.5-131.6 143.6 29.7 27.3 30.5 84 131 A G E -c 45 0A 1 -2,-0.3 26,-2.8 24,-0.3 2,-0.4 -0.777 13.2-161.0-104.1 144.8 29.1 31.0 30.0 85 132 A F - 0 0 0 -40,-2.5 27,-0.3 -2,-0.4 -38,-0.2 -0.945 33.8-110.6-112.5 136.3 26.6 33.0 27.9 86 133 A A B -e 112 0C 0 25,-3.1 27,-2.3 -2,-0.4 2,-0.5 -0.365 14.7-144.6 -68.5 145.7 27.4 36.6 27.2 87 134 A T - 0 0 3 -23,-0.2 -19,-0.2 25,-0.2 27,-0.1 -0.963 29.3-161.8-107.7 120.5 25.5 39.6 28.6 88 135 A L - 0 0 1 -2,-0.5 2,-2.2 25,-0.4 3,-0.1 -0.918 30.0-127.0-116.1 142.4 25.4 42.3 25.9 89 136 A P > + 0 0 1 0, 0.0 3,-2.6 0, 0.0 7,-0.4 -0.467 35.9 176.8 -80.9 75.0 24.7 46.1 25.9 90 137 A I T 3 S+ 0 0 0 -2,-2.2 28,-0.1 1,-0.3 -36,-0.1 0.741 72.0 66.5 -52.2 -30.1 22.0 45.7 23.2 91 138 A N T 3 S+ 0 0 21 -38,-0.6 -1,-0.3 -36,-0.4 -34,-0.1 0.588 104.0 48.0 -70.6 -8.2 21.1 49.5 23.3 92 139 A E S <> S- 0 0 76 -3,-2.6 4,-2.8 1,-0.1 -1,-0.3 -0.755 78.8-179.2-125.5 74.3 24.7 50.0 21.8 93 140 A P H > S+ 0 0 16 0, 0.0 4,-2.3 0, 0.0 5,-0.1 0.820 77.2 45.8 -55.6 -39.1 24.6 47.4 18.9 94 141 A E H > S+ 0 0 134 2,-0.2 4,-1.7 1,-0.2 5,-0.1 0.927 116.9 46.2 -70.3 -37.4 28.1 47.9 17.5 95 142 A A H > S+ 0 0 9 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.872 111.6 53.5 -67.9 -36.4 29.6 47.9 21.1 96 143 A A H X S+ 0 0 0 -4,-2.8 4,-2.2 -7,-0.4 -2,-0.2 0.894 107.0 50.7 -64.3 -41.5 27.4 44.8 21.8 97 144 A A H X S+ 0 0 8 -4,-2.3 4,-2.0 2,-0.2 -1,-0.2 0.882 111.5 47.9 -65.0 -37.5 28.8 42.9 18.7 98 145 A R H X S+ 0 0 164 -4,-1.7 4,-2.2 2,-0.2 -2,-0.2 0.899 112.9 48.0 -70.0 -38.9 32.4 43.7 19.9 99 146 A E H X S+ 0 0 7 -4,-2.3 4,-2.5 2,-0.2 -2,-0.2 0.853 109.3 54.4 -68.0 -34.1 31.6 42.5 23.5 100 147 A F H X S+ 0 0 0 -4,-2.2 4,-2.1 2,-0.2 -2,-0.2 0.939 109.7 46.2 -61.0 -50.0 30.0 39.4 21.9 101 148 A E H X S+ 0 0 85 -4,-2.0 4,-3.0 2,-0.2 5,-0.4 0.887 112.3 51.5 -60.0 -42.7 33.3 38.6 20.0 102 149 A R H X>S+ 0 0 48 -4,-2.2 4,-2.7 1,-0.2 5,-1.4 0.917 109.4 50.2 -62.1 -45.2 35.3 39.3 23.2 103 150 A C H <5S+ 0 0 0 -4,-2.5 6,-2.5 3,-0.2 4,-0.4 0.899 117.6 39.1 -59.7 -45.1 33.2 36.9 25.2 104 151 A I H X5S+ 0 0 21 -4,-2.1 4,-0.8 4,-0.2 -2,-0.2 0.974 126.8 31.8 -71.9 -54.9 33.5 34.1 22.7 105 152 A N H <5S+ 0 0 99 -4,-3.0 -3,-0.2 -5,-0.2 -2,-0.2 0.804 133.1 25.6 -77.3 -34.2 37.2 34.6 21.7 106 153 A D T <5S+ 0 0 117 -4,-2.7 -3,-0.2 -5,-0.4 -1,-0.1 0.795 129.9 36.1 -97.5 -37.7 38.7 35.8 25.0 107 154 A L T 4 -J 121 0D 6 3,-1.8 3,-1.6 -2,-0.2 -1,-0.1 -0.324 46.7-105.3 -76.6 164.1 15.9 47.4 23.0 119 166 A Q T 3 S+ 0 0 161 1,-0.3 -1,-0.1 -64,-0.1 3,-0.1 0.781 123.2 44.3 -59.5 -26.7 14.7 50.9 24.3 120 167 A D T 3 S- 0 0 79 1,-0.3 2,-0.3 2,-0.0 -1,-0.3 0.243 124.0 -86.4-105.5 12.8 13.3 51.6 20.7 121 168 A G B < S-J 118 0D 25 -3,-1.6 -3,-1.8 4,-0.0 -1,-0.3 -0.852 73.0 -0.8 126.1-160.5 11.7 48.2 20.1 122 169 A F > - 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