==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=16-OCT-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 23-SEP-11 3TY2 . COMPND 2 MOLECULE: 5'-NUCLEOTIDASE SURE; . SOURCE 2 ORGANISM_SCIENTIFIC: COXIELLA BURNETII; . AUTHOR J.CHEUNG,M.FRANKLIN,M.RUDOLPH,M.CASSIDY,E.GARY,F.BURSHTEYN,J . 502 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 20877.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 325 64.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 68 13.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 43 8.6 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 . 4 0.8 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-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 . 33 6.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 54 10.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 100 19.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 1.2 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 2 0 4 1 2 1 0 0 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 0 3 6 1 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 PARALLEL BRIDGES PER LADDER . 4 2 2 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 ANTIPARALLEL BRIDGES PER LADDER . 0 4 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 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 11 A K 0 0 195 0, 0.0 27,-0.1 0, 0.0 2,-0.1 0.000 360.0 360.0 360.0 135.0 28.6 22.2 45.8 2 12 A L - 0 0 24 25,-0.4 27,-2.1 1,-0.1 2,-0.6 -0.341 360.0-149.0 -59.8 132.4 26.7 24.0 43.0 3 13 A R E -a 29 0A 37 25,-0.2 82,-2.9 80,-0.1 83,-1.2 -0.934 13.8-171.5-110.4 120.8 29.0 25.9 40.6 4 14 A L E -ab 30 86A 0 25,-3.1 27,-2.5 -2,-0.6 2,-0.6 -0.921 12.0-156.2-112.5 132.1 27.6 29.0 38.9 5 15 A L E -ab 31 87A 0 81,-2.5 83,-2.9 -2,-0.5 2,-0.4 -0.935 16.9-165.4-103.1 122.4 29.2 31.0 36.2 6 16 A L E +ab 32 88A 0 25,-3.0 27,-2.5 -2,-0.6 2,-0.3 -0.886 18.1 151.1-109.6 137.2 28.0 34.6 36.1 7 17 A S E - b 0 89A 0 81,-1.7 83,-2.6 -2,-0.4 2,-0.3 -0.845 13.1-178.7-143.4-176.8 28.5 37.1 33.2 8 18 A N - 0 0 0 -2,-0.3 63,-0.1 81,-0.3 4,-0.1 -0.938 33.0-123.7-164.5-174.7 26.8 40.1 31.7 9 19 A D S S+ 0 0 5 -2,-0.3 30,-3.3 2,-0.1 31,-0.2 0.423 96.2 74.2-121.4 -2.3 27.0 42.7 28.9 10 20 A D S S- 0 0 21 28,-0.2 3,-0.2 1,-0.2 30,-0.1 0.620 108.3-103.4 -82.3 -13.4 27.0 45.9 31.0 11 21 A G > - 0 0 2 1,-0.1 3,-2.0 27,-0.1 6,-0.2 -0.170 33.0 -70.1 108.2 161.1 30.5 45.2 32.0 12 22 A V T 3 S+ 0 0 4 23,-2.7 -1,-0.1 1,-0.3 24,-0.1 0.700 126.9 53.6 -62.7 -21.5 32.5 44.0 35.0 13 23 A Y T 3 S+ 0 0 179 -3,-0.2 -1,-0.3 23,-0.1 -2,-0.1 0.448 79.7 127.1 -91.8 -2.9 31.7 47.2 37.0 14 24 A A <> - 0 0 18 -3,-2.0 4,-1.9 1,-0.1 3,-0.2 -0.265 60.2-138.5 -64.8 140.0 28.0 47.1 36.6 15 25 A K H > S+ 0 0 116 1,-0.2 4,-2.7 2,-0.2 5,-0.3 0.889 102.2 60.3 -61.6 -41.2 25.8 47.3 39.7 16 26 A G H > S+ 0 0 0 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.874 107.9 43.8 -55.3 -41.7 23.5 44.6 38.3 17 27 A L H > S+ 0 0 0 -6,-0.2 4,-2.8 -3,-0.2 5,-0.2 0.899 112.5 52.3 -69.8 -42.7 26.3 42.0 38.2 18 28 A A H X S+ 0 0 53 -4,-1.9 4,-2.1 2,-0.2 -2,-0.2 0.913 112.4 45.0 -60.2 -45.1 27.6 43.0 41.6 19 29 A I H X S+ 0 0 30 -4,-2.7 4,-2.3 2,-0.2 -1,-0.2 0.927 114.0 49.2 -64.7 -46.2 24.2 42.6 43.2 20 30 A L H X S+ 0 0 0 -4,-1.9 4,-2.5 -5,-0.3 -2,-0.2 0.917 112.4 47.8 -60.5 -45.9 23.6 39.3 41.4 21 31 A A H X S+ 0 0 16 -4,-2.8 4,-1.1 1,-0.2 -1,-0.2 0.896 111.1 50.0 -64.9 -42.9 27.0 37.8 42.4 22 32 A K H < S+ 0 0 167 -4,-2.1 4,-0.3 -5,-0.2 3,-0.3 0.920 114.3 46.2 -61.0 -42.5 26.7 38.8 46.0 23 33 A T H >< S+ 0 0 38 -4,-2.3 3,-1.0 1,-0.2 -2,-0.2 0.922 114.3 44.2 -68.3 -47.1 23.2 37.3 46.2 24 34 A L H >X S+ 0 0 0 -4,-2.5 3,-1.5 1,-0.2 4,-0.9 0.576 91.1 82.6 -78.5 -10.1 24.0 33.9 44.5 25 35 A A T 3< S+ 0 0 57 -4,-1.1 -1,-0.2 1,-0.3 -2,-0.1 0.709 86.4 61.6 -66.3 -18.2 27.3 33.4 46.4 26 36 A D T <4 S+ 0 0 117 -3,-1.0 -1,-0.3 -4,-0.3 -2,-0.2 0.693 102.1 50.2 -77.3 -20.6 25.0 32.0 49.1 27 37 A L T <4 S- 0 0 24 -3,-1.5 -25,-0.4 1,-0.2 2,-0.3 0.648 124.6 -44.8 -95.3 -19.0 23.7 29.2 46.9 28 38 A G S < S- 0 0 3 -4,-0.9 2,-0.4 -27,-0.1 -1,-0.2 -0.983 83.5 -36.1 175.5-173.2 27.1 27.9 45.6 29 39 A E E -a 3 0A 78 -27,-2.1 -25,-3.1 -2,-0.3 2,-0.5 -0.585 56.9-157.5 -72.1 126.4 30.5 28.7 44.3 30 40 A V E -a 4 0A 37 -2,-0.4 2,-0.5 -27,-0.2 -25,-0.2 -0.929 14.6-174.3-113.6 127.5 30.4 31.7 42.0 31 41 A D E -a 5 0A 35 -27,-2.5 -25,-3.0 -2,-0.5 2,-0.5 -0.977 12.8-156.6-110.2 131.1 32.9 32.5 39.2 32 42 A V E +a 6 0A 11 -2,-0.5 30,-2.8 28,-0.4 2,-0.4 -0.946 17.2 171.3-109.5 124.4 32.3 35.9 37.5 33 43 A V E +g 62 0B 1 -27,-2.5 -25,-0.2 -2,-0.5 30,-0.2 -0.930 20.3 155.6-132.0 108.0 33.8 36.3 34.0 34 44 A A E -g 63 0B 0 28,-2.5 30,-2.6 -2,-0.4 -22,-0.1 -0.891 45.2 -87.5-138.8 157.6 32.6 39.5 32.4 35 45 A P E -g 64 0B 0 0, 0.0 -23,-2.7 0, 0.0 30,-0.2 -0.338 28.4-133.7 -66.2 146.3 33.5 42.1 29.8 36 46 A D S S+ 0 0 29 28,-2.3 2,-0.3 -25,-0.2 29,-0.1 0.591 88.7 35.9 -76.1 -7.9 35.8 45.0 30.8 37 47 A R S S- 0 0 175 29,-0.3 2,-0.6 27,-0.3 29,-0.1 -0.875 102.5 -79.1-136.3 167.4 33.5 47.4 29.0 38 48 A N + 0 0 70 -2,-0.3 -28,-0.2 1,-0.1 -27,-0.1 -0.589 43.0 179.6 -68.8 117.4 29.8 48.0 28.3 39 49 A R > + 0 0 74 -30,-3.3 3,-2.0 -2,-0.6 -29,-0.2 -0.151 13.8 161.5-113.5 37.1 29.1 45.6 25.4 40 50 A S T 3 S+ 0 0 38 1,-0.3 260,-0.6 -31,-0.2 261,-0.3 -0.348 70.0 26.5 -56.7 136.5 25.4 46.3 25.0 41 51 A G T 3 S+ 0 0 5 62,-0.2 257,-2.6 258,-0.1 -1,-0.3 0.436 81.1 127.8 88.0 1.6 24.3 45.1 21.5 42 52 A A X - 0 0 8 -3,-2.0 3,-2.3 255,-0.2 255,-0.3 0.684 39.2-176.8 -66.1 -19.6 27.0 42.4 21.3 43 53 A S T 3 - 0 0 6 60,-2.0 26,-0.3 1,-0.3 -1,-0.2 -0.213 66.7 -40.1 49.7-145.4 24.6 39.6 20.5 44 54 A N T 3 S+ 0 0 11 58,-0.3 -1,-0.3 310,-0.2 251,-0.2 0.064 90.0 153.5 -98.6 29.9 26.6 36.4 20.3 45 55 A S < - 0 0 12 -3,-2.3 25,-0.4 249,-0.3 24,-0.4 -0.299 27.0-158.7 -57.5 138.9 29.6 37.9 18.6 46 56 A L - 0 0 15 247,-1.6 2,-0.9 309,-0.2 249,-0.1 -0.936 20.9-119.0-121.5 142.3 32.8 36.1 19.3 47 57 A T + 0 0 29 -2,-0.4 406,-0.5 1,-0.2 246,-0.1 -0.741 48.3 151.0 -84.5 109.4 36.4 37.4 18.9 48 58 A L + 0 0 88 -2,-0.9 -1,-0.2 244,-0.4 245,-0.1 0.656 60.5 63.2-107.9 -26.0 38.0 35.2 16.3 49 59 A N S S+ 0 0 130 243,-0.2 -2,-0.1 2,-0.0 -1,-0.1 0.522 110.0 22.2 -83.5 -7.3 40.6 37.5 14.8 50 60 A A S S- 0 0 32 401,-0.1 403,-0.4 403,-0.0 2,-0.2 -0.982 80.0-101.8-155.6 157.2 42.7 38.1 17.9 51 61 A P - 0 0 37 0, 0.0 2,-0.4 0, 0.0 401,-0.3 -0.517 41.2-122.6 -81.0 158.6 43.6 36.6 21.3 52 62 A L E -I 451 0C 2 399,-3.0 399,-1.9 -2,-0.2 2,-0.4 -0.877 9.0-136.4-110.8 133.1 41.9 38.1 24.4 53 63 A H E -I 450 0C 58 -2,-0.4 12,-2.7 12,-0.3 2,-0.4 -0.688 24.3-171.0 -82.9 138.1 43.5 39.6 27.4 54 64 A I E -H 64 0B 23 395,-0.6 2,-0.3 -2,-0.4 10,-0.2 -0.980 3.4-175.3-132.0 140.4 42.0 38.5 30.7 55 65 A K E -H 63 0B 80 8,-2.5 8,-3.1 -2,-0.4 2,-0.6 -0.968 24.8-125.6-137.5 151.8 42.7 39.9 34.2 56 66 A N E -H 62 0B 132 -2,-0.3 6,-0.2 6,-0.2 2,-0.1 -0.874 28.2-147.9 -95.5 122.9 41.8 39.2 37.8 57 67 A L > - 0 0 41 4,-2.9 3,-1.9 -2,-0.6 0, 0.0 -0.422 28.8-103.3 -83.9 164.9 40.3 42.2 39.7 58 68 A E T 3 S+ 0 0 213 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.823 119.8 57.0 -56.9 -34.6 40.8 42.8 43.4 59 69 A N T 3 S- 0 0 109 2,-0.1 -1,-0.3 1,-0.1 3,-0.1 0.431 121.2-104.0 -81.1 2.4 37.2 41.7 44.2 60 70 A G S < S+ 0 0 57 -3,-1.9 -28,-0.4 1,-0.3 2,-0.2 0.311 78.2 133.0 95.0 -9.4 37.8 38.3 42.5 61 71 A X - 0 0 15 -30,-0.1 -4,-2.9 -5,-0.1 2,-0.5 -0.513 54.4-130.5 -74.0 143.4 35.9 39.0 39.3 62 72 A I E -gH 33 56B 21 -30,-2.8 -28,-2.5 -6,-0.2 2,-0.5 -0.856 19.6-155.4 -98.1 125.7 37.6 38.0 36.1 63 73 A S E -gH 34 55B 1 -8,-3.1 -8,-2.5 -2,-0.5 2,-0.4 -0.877 6.7-163.4-109.3 127.8 37.6 40.8 33.5 64 74 A V E -gH 35 54B 0 -30,-2.6 -28,-2.3 -2,-0.5 2,-2.0 -0.918 22.1-137.9-116.6 133.0 37.9 40.0 29.8 65 75 A E S S+ 0 0 85 -12,-2.7 -12,-0.3 -2,-0.4 2,-0.2 -0.412 83.0 54.7 -84.3 62.7 38.8 42.4 27.0 66 76 A G S S- 0 0 2 -2,-2.0 -29,-0.3 -14,-0.1 -30,-0.2 -0.827 92.4 -44.6-165.9-157.8 36.1 41.0 24.7 67 77 A T > - 0 0 3 -2,-0.2 4,-2.2 -32,-0.1 5,-0.1 -0.305 47.8-108.2 -92.0 169.2 32.4 40.2 24.4 68 78 A P H > S+ 0 0 0 0, 0.0 4,-1.9 0, 0.0 5,-0.2 0.894 123.9 50.8 -60.7 -38.3 29.9 38.5 26.7 69 79 A T H > S+ 0 0 0 -24,-0.4 4,-2.8 -26,-0.3 5,-0.3 0.908 106.9 53.8 -66.4 -40.1 30.0 35.5 24.4 70 80 A D H > S+ 0 0 0 -25,-0.4 4,-2.9 1,-0.2 5,-0.3 0.922 107.5 53.4 -52.8 -47.2 33.8 35.5 24.6 71 81 A C H X S+ 0 0 0 -4,-2.2 4,-2.3 1,-0.2 -2,-0.2 0.942 115.0 36.7 -56.8 -52.5 33.6 35.4 28.4 72 82 A V H X S+ 0 0 0 -4,-1.9 4,-1.9 2,-0.2 -1,-0.2 0.919 117.2 51.9 -70.9 -42.8 31.3 32.4 28.7 73 83 A H H < S+ 0 0 9 -4,-2.8 4,-0.3 -5,-0.2 -2,-0.2 0.933 115.4 40.8 -59.4 -47.6 32.9 30.5 25.8 74 84 A L H ><>S+ 0 0 1 -4,-2.9 5,-2.1 -5,-0.3 3,-1.3 0.910 111.3 57.8 -66.5 -41.6 36.4 30.9 27.3 75 85 A A H 3<>S+ 0 0 1 -4,-2.3 5,-1.0 -5,-0.3 3,-0.4 0.830 112.6 40.4 -57.8 -35.2 35.2 30.3 30.8 76 86 A I T 3<5S+ 0 0 5 -4,-1.9 -1,-0.3 1,-0.2 -2,-0.2 0.352 112.1 55.4 -99.5 5.4 33.8 26.9 29.8 77 87 A T T < 5S- 0 0 13 -3,-1.3 362,-2.6 -4,-0.3 -1,-0.2 0.084 133.1 -51.6-125.3 23.8 36.7 25.8 27.5 78 88 A G T 5S+ 0 0 51 -3,-0.4 -3,-0.2 -4,-0.2 -2,-0.1 0.414 107.8 97.6 129.3 -2.2 39.7 26.1 29.7 79 89 A V T - 0 0 8 -2,-0.3 3,-2.4 81,-0.1 81,-0.1 -0.869 51.9 -30.5-126.0 148.9 11.9 41.4 25.3 98 108 A G G > S+ 0 0 2 -2,-0.3 3,-1.4 1,-0.3 82,-0.2 -0.198 133.0 9.8 49.3-122.1 10.7 40.2 22.0 99 109 A D G > S+ 0 0 18 1,-0.3 3,-2.0 2,-0.1 4,-0.4 0.685 112.9 82.8 -57.3 -26.8 13.1 41.2 19.2 100 110 A D G X> S+ 0 0 21 -3,-2.4 3,-1.6 1,-0.3 4,-1.2 0.799 75.7 71.3 -52.1 -32.8 15.6 42.4 21.7 101 111 A V G <4 S+ 0 0 8 -3,-1.4 -1,-0.3 1,-0.3 -2,-0.1 0.745 86.6 64.8 -64.4 -22.1 16.9 38.9 22.2 102 112 A W G <4 S+ 0 0 22 -3,-2.0 -58,-0.3 1,-0.2 -1,-0.3 0.845 115.5 28.0 -65.4 -31.7 18.5 38.8 18.8 103 113 A Y T <4 S+ 0 0 25 -3,-1.6 -60,-2.0 -4,-0.4 2,-0.3 0.501 91.4 119.5-107.7 -8.9 20.9 41.6 19.8 104 114 A S X - 0 0 5 -4,-1.2 4,-2.2 -62,-0.2 5,-0.1 -0.460 44.5-164.6 -74.0 122.8 21.3 41.1 23.5 105 115 A G H > S+ 0 0 0 -2,-0.3 4,-2.2 2,-0.2 -1,-0.2 0.847 93.8 56.1 -66.0 -36.0 24.8 40.3 24.8 106 116 A T H > S+ 0 0 0 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.930 109.3 44.0 -62.2 -48.6 23.1 39.1 28.1 107 117 A V H > S+ 0 0 2 1,-0.2 4,-2.4 2,-0.2 -2,-0.2 0.932 112.2 53.6 -62.4 -45.4 20.9 36.6 26.3 108 118 A A H X S+ 0 0 8 -4,-2.2 4,-2.2 1,-0.2 5,-0.2 0.876 103.8 55.9 -58.7 -40.1 23.8 35.4 24.1 109 119 A A H X S+ 0 0 0 -4,-2.2 4,-1.2 1,-0.2 -1,-0.2 0.933 111.1 44.2 -57.8 -45.4 26.0 34.8 27.2 110 120 A A H < S+ 0 0 1 -4,-1.6 -2,-0.2 1,-0.2 -1,-0.2 0.896 111.7 53.5 -66.4 -38.8 23.3 32.5 28.6 111 121 A X H >X S+ 0 0 9 -4,-2.4 4,-1.7 1,-0.3 3,-1.4 0.823 103.7 54.6 -67.3 -32.0 22.8 30.8 25.2 112 122 A E H 3< S+ 0 0 5 -4,-2.2 -1,-0.3 1,-0.3 6,-0.2 0.840 102.8 60.1 -67.6 -30.1 26.5 30.1 25.0 113 123 A G T 3< S+ 0 0 0 -4,-1.2 -1,-0.3 -5,-0.2 -2,-0.2 0.467 108.3 46.7 -75.2 -0.6 25.9 28.4 28.3 114 124 A R T X4 S+ 0 0 56 -3,-1.4 3,-3.1 3,-0.1 2,-0.2 0.847 100.5 53.4-104.1 -60.4 23.4 26.1 26.6 115 125 A F T 3< S+ 0 0 56 -4,-1.7 -2,-0.1 1,-0.3 -3,-0.1 0.161 105.0 59.2 -76.1 25.9 24.7 24.6 23.3 116 126 A L T 3 S- 0 0 40 -2,-0.2 -1,-0.3 2,-0.2 -2,-0.1 0.060 131.8 -92.9-121.9 13.0 27.8 23.4 25.1 117 127 A G S < S+ 0 0 45 -3,-3.1 -2,-0.2 1,-0.3 -3,-0.1 -0.024 85.8 121.1 111.8 -28.0 25.4 21.4 27.4 118 128 A L - 0 0 20 -6,-0.2 -1,-0.3 1,-0.1 -2,-0.2 -0.368 60.2-119.7 -84.5 146.4 24.8 23.6 30.3 119 129 A P - 0 0 45 0, 0.0 -32,-1.9 0, 0.0 2,-0.3 -0.359 40.5-173.4 -68.8 163.7 21.5 25.0 31.7 120 130 A A E -cd 87 157A 2 36,-1.7 38,-2.5 -34,-0.2 2,-0.4 -0.991 24.5-156.6-165.7 148.7 21.3 28.8 31.7 121 131 A L E -cd 88 158A 3 -34,-2.4 -32,-2.9 -2,-0.3 2,-0.4 -0.992 5.9-159.9-130.2 133.0 19.4 32.0 32.8 122 132 A A E -cd 89 159A 1 36,-2.9 38,-3.0 -2,-0.4 2,-0.4 -0.959 18.2-164.0-105.1 136.1 19.5 35.5 31.3 123 133 A V E + d 0 160A 0 -34,-3.2 -31,-2.9 -2,-0.4 -32,-0.4 -0.978 10.6 176.9-129.7 126.9 18.1 38.1 33.7 124 134 A S E -cd 92 161A 0 36,-2.1 38,-2.8 -2,-0.4 2,-0.4 -0.972 22.1-139.5-130.4 139.6 17.1 41.6 32.9 125 135 A L E -cd 93 162A 0 -33,-2.5 -31,-1.3 -2,-0.4 8,-0.1 -0.848 29.4-127.1 -97.2 132.9 15.6 44.4 35.0 126 136 A G + 0 0 2 36,-2.8 4,-0.5 -2,-0.4 3,-0.2 -0.042 61.7 26.5 -74.9 174.2 12.9 46.5 33.4 127 137 A G S S- 0 0 46 1,-0.2 -2,-0.1 2,-0.1 0, 0.0 -0.263 86.4 -85.6 77.9-159.6 12.5 50.2 32.9 128 138 A E S S+ 0 0 176 -34,-0.1 -1,-0.2 36,-0.1 -2,-0.0 0.294 112.0 59.6-132.5 1.9 15.2 52.9 32.7 129 139 A L S S- 0 0 133 -3,-0.2 -2,-0.1 35,-0.0 -3,-0.0 0.764 75.9-154.8-107.0 -35.1 15.8 53.7 36.4 130 140 A F + 0 0 44 -4,-0.5 3,-0.4 2,-0.1 -3,-0.1 0.934 32.8 154.5 60.7 55.6 16.9 50.4 37.8 131 141 A R + 0 0 155 1,-0.2 3,-0.2 33,-0.1 2,-0.2 0.774 64.7 45.9 -84.3 -27.0 15.9 51.0 41.4 132 142 A Y >> + 0 0 62 1,-0.2 4,-1.2 2,-0.1 3,-0.8 -0.445 51.0 142.9-123.1 60.9 15.4 47.4 42.5 133 143 A Y H 3> S+ 0 0 16 -3,-0.4 4,-2.7 1,-0.2 5,-0.2 0.871 77.3 66.0 -56.2 -36.1 18.3 45.2 41.3 134 144 A E H 3> S+ 0 0 97 1,-0.2 4,-2.3 -3,-0.2 -1,-0.2 0.823 96.0 55.2 -56.6 -34.7 17.8 43.4 44.6 135 145 A T H <> S+ 0 0 7 -3,-0.8 4,-2.6 2,-0.2 -1,-0.2 0.937 109.1 44.6 -65.7 -49.4 14.3 42.2 43.4 136 146 A A H X S+ 0 0 0 -4,-1.2 4,-2.5 1,-0.2 -2,-0.2 0.908 113.1 53.2 -61.6 -39.8 15.7 40.6 40.3 137 147 A A H X S+ 0 0 0 -4,-2.7 4,-2.4 2,-0.2 -2,-0.2 0.912 109.9 47.3 -60.2 -42.7 18.5 39.1 42.5 138 148 A K H X S+ 0 0 91 -4,-2.3 4,-2.3 2,-0.2 -2,-0.2 0.907 110.5 52.2 -67.0 -42.0 15.9 37.6 44.9 139 149 A V H X S+ 0 0 0 -4,-2.6 4,-2.0 2,-0.2 -2,-0.2 0.930 111.6 46.4 -56.0 -48.3 13.8 36.2 42.0 140 150 A V H X S+ 0 0 0 -4,-2.5 4,-2.6 1,-0.2 5,-0.3 0.914 108.8 55.5 -64.8 -42.7 16.9 34.5 40.5 141 151 A Y H X S+ 0 0 53 -4,-2.4 4,-2.6 1,-0.2 -1,-0.2 0.942 110.2 46.1 -51.1 -51.5 17.9 33.1 43.9 142 152 A Q H X S+ 0 0 49 -4,-2.3 4,-2.1 1,-0.2 -1,-0.2 0.865 111.6 50.6 -62.8 -40.2 14.4 31.5 44.3 143 153 A L H X S+ 0 0 0 -4,-2.0 4,-2.8 2,-0.2 -1,-0.2 0.913 113.2 45.2 -64.9 -43.6 14.4 30.1 40.8 144 154 A I H X S+ 0 0 0 -4,-2.6 4,-1.9 2,-0.2 -2,-0.2 0.931 110.9 53.6 -67.8 -44.5 17.9 28.5 41.2 145 155 A Q H X S+ 0 0 69 -4,-2.6 4,-0.6 -5,-0.3 -1,-0.2 0.923 114.1 42.8 -51.5 -46.6 16.9 27.2 44.7 146 156 A R H >X S+ 0 0 53 -4,-2.1 4,-3.3 1,-0.2 3,-1.5 0.913 106.6 60.1 -69.3 -43.4 13.9 25.5 43.1 147 157 A I H 3< S+ 0 0 32 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.851 100.0 58.7 -52.4 -37.3 15.8 24.2 40.1 148 158 A E H 3< S+ 0 0 103 -4,-1.9 -1,-0.3 1,-0.2 -2,-0.2 0.782 119.6 26.6 -63.5 -29.3 18.0 22.3 42.4 149 159 A K H << S+ 0 0 151 -3,-1.5 -2,-0.2 -4,-0.6 -1,-0.2 0.757 130.7 36.5-103.3 -34.6 15.1 20.3 43.9 150 160 A D S < S- 0 0 34 -4,-3.3 -1,-0.2 -5,-0.1 -2,-0.1 -0.852 90.1-149.5-127.1 85.1 12.5 20.4 41.1 151 161 A P - 0 0 96 0, 0.0 -3,-0.1 0, 0.0 -4,-0.1 -0.285 6.1-147.4 -71.7 141.5 14.6 20.1 37.9 152 162 A L - 0 0 23 1,-0.2 342,-0.0 -5,-0.1 4,-0.0 -0.464 52.3 -65.3 -85.6 169.9 13.8 21.5 34.5 153 163 A P > - 0 0 28 0, 0.0 3,-1.7 0, 0.0 -1,-0.2 -0.356 51.9-118.0 -54.2 142.2 14.9 19.7 31.4 154 164 A P T 3 S+ 0 0 112 0, 0.0 -2,-0.0 0, 0.0 0, 0.0 0.659 110.5 58.1 -60.2 -18.3 18.7 19.7 31.2 155 165 A S T 3 S+ 0 0 47 -36,-0.1 2,-0.2 2,-0.0 -37,-0.1 0.263 79.3 136.4 -95.3 11.1 18.7 21.7 28.0 156 166 A T < - 0 0 17 -3,-1.7 -36,-1.7 72,-0.1 2,-0.4 -0.384 29.4-179.5 -77.6 132.9 16.8 24.6 29.3 157 167 A I E -d 120 0A 2 72,-0.4 72,-2.5 -38,-0.2 2,-0.4 -0.989 13.6-162.3-122.6 123.2 17.6 28.3 28.6 158 168 A L E -dE 121 228A 3 -38,-2.5 -36,-2.9 -2,-0.4 2,-0.7 -0.876 14.1-154.5-111.0 133.0 15.4 30.9 30.2 159 169 A N E -dE 122 227A 0 68,-3.1 68,-2.3 -2,-0.4 2,-0.5 -0.917 25.0-170.5 -99.9 112.9 15.0 34.5 29.3 160 170 A I E -dE 123 226A 0 -38,-3.0 -36,-2.1 -2,-0.7 2,-0.4 -0.889 13.0-173.4-114.3 128.4 13.8 36.2 32.5 161 171 A N E -dE 124 225A 0 64,-2.1 64,-2.4 -2,-0.5 -36,-0.2 -0.984 8.5-160.2-118.7 135.7 12.6 39.8 32.8 162 172 A V E -d 125 0A 0 -38,-2.8 -36,-2.8 -2,-0.4 62,-0.1 -0.948 20.6-121.0-118.2 125.8 11.8 41.4 36.2 163 173 A P - 0 0 7 0, 0.0 2,-1.9 0, 0.0 7,-0.1 -0.370 32.4-112.9 -58.3 144.5 9.6 44.4 36.7 164 174 A D S S+ 0 0 29 -39,-0.1 -33,-0.1 -29,-0.1 -31,-0.1 -0.536 77.7 112.1 -81.8 77.5 11.5 47.2 38.5 165 175 A L S S- 0 0 28 -2,-1.9 5,-0.1 -33,-0.2 -30,-0.1 -0.944 78.4 -79.9-143.3 157.5 9.5 47.0 41.7 166 176 A P > - 0 0 24 0, 0.0 3,-2.0 0, 0.0 4,-0.3 -0.321 50.8-112.5 -52.5 147.9 9.9 46.1 45.4 167 177 A Y G > S+ 0 0 73 1,-0.3 3,-1.5 2,-0.2 -35,-0.0 0.854 116.0 61.6 -55.5 -37.5 9.7 42.3 45.6 168 178 A E G 3 S+ 0 0 163 1,-0.3 -1,-0.3 3,-0.0 -33,-0.0 0.604 98.9 57.9 -67.4 -10.7 6.4 42.5 47.5 169 179 A E G < S+ 0 0 90 -3,-2.0 -1,-0.3 2,-0.0 -2,-0.2 0.452 75.0 113.6-103.2 -0.7 4.8 44.2 44.5 170 180 A L < - 0 0 28 -3,-1.5 53,-0.2 -4,-0.3 3,-0.1 -0.476 56.4-152.9 -64.0 140.1 5.5 41.5 41.9 171 181 A K - 0 0 158 51,-2.7 2,-0.3 1,-0.3 52,-0.2 0.477 54.5 -76.5 -97.3 -4.9 2.2 39.9 40.8 172 182 A G E -f 223 0A 26 50,-0.5 52,-2.8 2,-0.0 2,-0.4 -0.889 50.1 -64.4 144.0-172.9 3.6 36.5 40.0 173 183 A F E -f 224 0A 48 -2,-0.3 2,-0.4 50,-0.2 52,-0.2 -0.927 43.8-171.6-114.3 141.5 5.7 34.5 37.6 174 184 A E E -f 225 0A 53 50,-2.2 52,-2.5 -2,-0.4 2,-0.4 -0.997 23.5-132.9-138.7 132.9 4.5 33.8 34.0 175 185 A V E +f 226 0A 27 -2,-0.4 2,-0.3 50,-0.2 52,-0.2 -0.699 42.4 177.4 -77.1 135.2 5.7 31.5 31.2 176 186 A T - 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