==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=8-MAR-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 24-JUL-12 4G9O . COMPND 2 MOLECULE: 5'/3'-NUCLEOTIDASE SURE; . SOURCE 2 ORGANISM_SCIENTIFIC: SALMONELLA TYPHIMURIUM; . AUTHOR Y.K.MATHIHARAN,M.R.N.MURTHY . 496 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 20539.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 339 68.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 70 14.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 45 9.1 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 . 50 10.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 42 8.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 108 21.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 1.6 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 1 0 4 2 1 0 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 0 2 7 1 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 PARALLEL BRIDGES PER LADDER . 1 2 3 1 2 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 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 0 A S 0 0 135 0, 0.0 27,-0.2 0, 0.0 2,-0.2 0.000 360.0 360.0 360.0 -73.4 8.7 46.7 -2.6 2 1 A M - 0 0 12 25,-0.5 27,-3.2 1,-0.0 2,-0.7 -0.486 360.0-132.7 -73.7 144.7 6.0 44.6 -0.6 3 2 A R E -a 29 0A 71 25,-0.2 83,-2.4 -2,-0.2 84,-1.4 -0.917 29.3-172.5 -99.7 112.7 5.3 45.5 3.0 4 3 A I E -ab 30 87A 0 25,-3.2 27,-2.5 -2,-0.7 2,-0.7 -0.920 19.5-154.9-114.0 120.7 5.3 42.3 5.0 5 4 A L E -ab 31 88A 0 82,-2.7 84,-2.8 -2,-0.5 2,-0.5 -0.858 21.7-161.9 -87.8 114.7 4.4 42.0 8.7 6 5 A L E +ab 32 89A 0 25,-2.8 27,-2.5 -2,-0.7 2,-0.2 -0.891 22.4 148.1-105.9 124.4 6.2 38.9 9.9 7 6 A S E - b 0 90A 0 82,-2.6 84,-2.3 -2,-0.5 2,-0.3 -0.729 15.3-179.9-134.6-175.6 5.1 37.1 13.0 8 7 A N - 0 0 0 82,-0.3 64,-0.1 25,-0.2 4,-0.1 -0.942 37.7-113.0-166.1-169.9 5.0 33.6 14.5 9 8 A D S S+ 0 0 10 -2,-0.3 30,-3.0 2,-0.1 31,-0.2 0.615 104.7 63.4-106.2 -27.8 4.1 31.4 17.4 10 9 A D S S- 0 0 14 28,-0.2 3,-0.2 1,-0.2 24,-0.0 0.530 108.0-110.4 -82.7 -9.7 7.7 30.3 18.4 11 10 A G > - 0 0 1 1,-0.2 3,-1.8 2,-0.1 6,-0.3 -0.053 36.9 -62.6 98.3 163.1 8.8 33.8 19.3 12 11 A V T 3 S+ 0 0 3 23,-2.2 -1,-0.2 1,-0.3 24,-0.1 0.724 128.3 52.0 -55.2 -29.2 11.2 36.5 18.0 13 12 A H T 3 S+ 0 0 137 -3,-0.2 -1,-0.3 4,-0.1 -2,-0.1 0.572 78.7 124.0 -86.0 -12.2 14.3 34.3 18.5 14 13 A A <> - 0 0 11 -3,-1.8 4,-2.0 1,-0.1 5,-0.2 -0.159 65.2-131.4 -57.6 142.3 13.0 31.2 16.7 15 14 A P H > S+ 0 0 76 0, 0.0 4,-2.4 0, 0.0 5,-0.2 0.805 104.6 59.5 -62.6 -29.5 15.2 29.9 13.8 16 15 A G H > S+ 0 0 0 2,-0.2 4,-2.1 1,-0.2 77,-0.2 0.944 109.9 38.4 -64.8 -52.0 12.1 29.6 11.6 17 16 A I H > S+ 0 0 0 -6,-0.3 4,-2.9 75,-0.2 -1,-0.2 0.876 117.2 52.2 -65.7 -38.7 11.2 33.3 11.7 18 17 A Q H X S+ 0 0 63 -4,-2.0 4,-1.9 2,-0.2 -2,-0.2 0.904 111.2 45.7 -67.1 -43.2 14.9 34.4 11.6 19 18 A T H X S+ 0 0 52 -4,-2.4 4,-1.9 2,-0.2 -1,-0.2 0.939 115.7 46.9 -61.0 -48.9 15.6 32.3 8.5 20 19 A L H X S+ 0 0 0 -4,-2.1 4,-2.7 -5,-0.2 5,-0.2 0.925 109.3 54.2 -60.9 -46.4 12.5 33.6 6.8 21 20 A A H X S+ 0 0 0 -4,-2.9 4,-2.1 1,-0.2 -1,-0.2 0.906 107.9 49.4 -54.4 -49.7 13.2 37.2 7.7 22 21 A K H < S+ 0 0 148 -4,-1.9 4,-0.3 1,-0.2 -1,-0.2 0.900 113.3 47.5 -56.2 -45.3 16.6 37.1 6.2 23 22 A A H >< S+ 0 0 26 -4,-1.9 3,-1.1 1,-0.2 4,-0.3 0.903 112.3 48.2 -64.7 -43.4 15.2 35.6 3.0 24 23 A L H >X S+ 0 0 0 -4,-2.7 4,-2.4 1,-0.2 3,-1.3 0.806 99.4 66.6 -71.3 -30.3 12.3 38.1 2.7 25 24 A R T 3< S+ 0 0 101 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.578 86.2 74.1 -67.9 -10.0 14.6 41.2 3.3 26 25 A E T <4 S+ 0 0 146 -3,-1.1 -1,-0.3 -4,-0.3 -2,-0.2 0.826 122.2 2.9 -66.7 -34.5 16.2 40.4 -0.1 27 26 A F T <4 S+ 0 0 45 -3,-1.3 -25,-0.5 -4,-0.3 2,-0.3 0.439 124.5 56.5-133.3 -7.6 13.2 41.7 -2.0 28 27 A A S < S- 0 0 11 -4,-2.4 2,-0.7 -27,-0.2 -25,-0.2 -0.848 75.9-110.6-131.9 162.9 10.7 43.0 0.5 29 28 A D E -a 3 0A 90 -27,-3.2 -25,-3.2 -2,-0.3 2,-0.4 -0.867 45.4-169.1 -90.4 113.0 10.2 45.5 3.4 30 29 A V E -a 4 0A 16 -2,-0.7 2,-0.5 -27,-0.2 -25,-0.2 -0.904 19.6-173.8-114.6 130.4 9.9 43.3 6.5 31 30 A Q E -a 5 0A 41 -27,-2.5 -25,-2.8 -2,-0.4 2,-0.5 -0.983 16.4-149.8-116.5 117.3 8.8 44.2 10.0 32 31 A V E +a 6 0A 0 -2,-0.5 30,-2.5 -27,-0.2 2,-0.4 -0.769 22.5 168.1 -82.0 123.2 9.1 41.4 12.6 33 32 A V E +h 62 0B 0 -27,-2.5 -25,-0.2 -2,-0.5 30,-0.2 -0.927 22.4 150.2-131.3 108.5 6.5 41.7 15.4 34 33 A A E -h 63 0B 0 28,-2.4 30,-2.3 -2,-0.4 33,-0.1 -0.906 50.0 -77.7-141.0 159.3 6.6 38.4 17.3 35 34 A P E -h 64 0B 0 0, 0.0 -23,-2.2 0, 0.0 30,-0.2 -0.308 35.7-127.5 -59.0 143.4 6.0 37.0 20.9 36 35 A D S S+ 0 0 36 28,-2.1 2,-0.3 -25,-0.2 29,-0.1 0.480 92.4 19.1 -68.4 -3.1 8.8 37.6 23.4 37 36 A R S S- 0 0 105 30,-0.2 2,-0.3 27,-0.2 27,-0.1 -0.938 102.6 -69.9-154.9 171.1 8.7 33.9 24.1 38 37 A N - 0 0 95 -2,-0.3 -28,-0.2 1,-0.1 -27,-0.1 -0.579 37.7-169.7 -73.7 131.1 7.5 30.6 22.6 39 38 A R > + 0 0 25 -30,-3.0 3,-2.1 -2,-0.3 2,-0.2 0.238 35.3 134.8-110.1 9.8 3.7 30.4 22.6 40 39 A S T 3 S+ 0 0 71 1,-0.3 3,-0.1 -31,-0.2 65,-0.1 -0.454 78.4 20.6 -60.9 125.1 3.2 26.7 21.7 41 40 A G T 3 S+ 0 0 54 1,-0.4 247,-2.5 -2,-0.2 -1,-0.3 0.474 104.2 109.2 90.9 3.6 0.6 25.3 24.0 42 41 A A B < S-J 287 0C 19 -3,-2.1 -1,-0.4 245,-0.3 245,-0.3 -0.741 74.7 -98.2-108.3 159.5 -0.8 28.7 25.0 43 42 A S - 0 0 16 243,-1.7 245,-0.2 -2,-0.3 307,-0.1 -0.402 22.1-141.6 -78.0 158.6 -4.2 30.2 24.0 44 43 A N + 0 0 7 305,-0.3 26,-0.3 243,-0.1 306,-0.1 0.172 48.2 134.0-110.7 13.6 -4.4 32.7 21.0 45 44 A S - 0 0 33 304,-0.2 2,-0.4 1,-0.1 26,-0.3 -0.086 62.2 -98.7 -62.1 162.3 -7.0 35.3 22.2 46 45 A L - 0 0 9 24,-0.1 2,-0.9 25,-0.1 -1,-0.1 -0.717 33.1-124.4 -83.8 133.2 -6.5 39.0 21.7 47 46 A T - 0 0 37 -2,-0.4 3,-0.4 21,-0.1 398,-0.4 -0.699 35.1-167.5 -83.1 106.8 -5.2 40.8 24.9 48 47 A L - 0 0 64 -2,-0.9 398,-0.2 1,-0.2 3,-0.1 -0.768 58.6 -1.3-102.4 140.3 -7.8 43.6 25.6 49 48 A E S S+ 0 0 123 396,-3.5 2,-0.4 -2,-0.4 -1,-0.2 0.774 102.0 108.0 58.8 31.6 -7.5 46.5 28.0 50 49 A S S S- 0 0 65 -3,-0.4 395,-0.4 395,-0.2 -1,-0.1 -0.962 74.1-117.6-140.1 120.2 -4.0 45.4 29.2 51 50 A S - 0 0 48 -2,-0.4 2,-0.5 393,-0.2 393,-0.2 -0.331 25.5-150.4 -61.6 128.9 -0.9 47.3 28.2 52 51 A L E -K 443 0D 8 391,-3.2 391,-2.2 -2,-0.1 2,-0.3 -0.908 8.1-141.4-105.0 123.7 1.5 45.2 26.2 53 52 A R E -K 442 0D 62 -2,-0.5 12,-3.3 12,-0.4 2,-0.4 -0.636 14.2-153.3 -84.1 140.0 5.2 46.0 26.5 54 53 A T E -I 64 0B 11 387,-1.7 2,-0.4 -2,-0.3 387,-0.3 -0.909 4.7-154.5-114.5 142.1 7.5 45.9 23.4 55 54 A F E -I 63 0B 70 8,-2.7 8,-2.6 -2,-0.4 2,-0.5 -0.953 10.1-151.8-109.5 133.6 11.2 45.2 23.1 56 55 A T E -I 62 0B 101 -2,-0.4 6,-0.2 6,-0.2 2,-0.1 -0.934 11.1-151.2-107.6 124.6 13.1 46.5 20.1 57 56 A F > - 0 0 73 4,-2.7 3,-2.0 -2,-0.5 0, 0.0 -0.434 32.1 -99.5 -86.5 165.5 16.2 44.6 19.1 58 57 A D T 3 S+ 0 0 179 1,-0.3 -1,-0.1 -2,-0.1 -2,-0.0 0.805 122.5 52.6 -51.8 -36.6 19.3 46.1 17.3 59 58 A N T 3 S- 0 0 90 2,-0.1 -1,-0.3 1,-0.0 -3,-0.0 0.439 123.2-101.1 -83.1 -1.1 18.1 44.9 13.9 60 59 A G S < S+ 0 0 32 -3,-2.0 -2,-0.1 1,-0.3 -28,-0.1 0.313 74.0 144.0 96.7 -9.0 14.6 46.6 14.3 61 60 A D - 0 0 4 -30,-0.1 -4,-2.7 -5,-0.1 2,-0.5 -0.356 39.8-143.5 -60.0 141.6 12.7 43.4 15.2 62 61 A I E -hI 33 56B 17 -30,-2.5 -28,-2.4 -6,-0.2 2,-0.4 -0.952 11.7-165.2-115.3 127.8 10.0 43.9 17.8 63 62 A A E -hI 34 55B 1 -8,-2.6 -8,-2.7 -2,-0.5 2,-0.6 -0.892 13.1-143.5-104.4 141.2 9.1 41.4 20.5 64 63 A V E > -hI 35 54B 0 -30,-2.3 3,-2.2 -2,-0.4 -28,-2.1 -0.924 20.9-125.0-108.4 116.5 5.8 41.8 22.4 65 64 A Q T 3 S- 0 0 74 -12,-3.3 -12,-0.4 -2,-0.6 3,-0.1 -0.422 92.3 -12.9 -66.6 118.7 6.0 40.8 26.1 66 65 A M T 3 S+ 0 0 92 -2,-0.3 -1,-0.3 1,-0.2 2,-0.3 0.693 101.6 155.8 57.7 21.4 3.4 38.2 26.9 67 66 A G < - 0 0 0 -3,-2.2 -30,-0.2 -14,-0.2 -1,-0.2 -0.600 38.4-137.1 -76.3 134.8 1.9 39.0 23.5 68 67 A T > - 0 0 6 -2,-0.3 4,-2.2 -23,-0.2 5,-0.2 -0.400 31.5-103.4 -77.7 164.2 -0.1 36.4 21.7 69 68 A P H > S+ 0 0 0 0, 0.0 4,-1.9 0, 0.0 5,-0.2 0.870 126.9 51.5 -60.1 -32.9 0.4 35.9 18.0 70 69 A T H > S+ 0 0 0 -26,-0.3 4,-2.9 -25,-0.2 5,-0.2 0.839 106.2 54.2 -69.3 -33.6 -2.9 37.8 17.4 71 70 A D H > S+ 0 0 0 -26,-0.3 4,-2.8 2,-0.2 5,-0.2 0.917 108.8 49.6 -61.7 -46.2 -1.6 40.6 19.7 72 71 A C H X S+ 0 0 0 -4,-2.2 4,-2.9 2,-0.2 -2,-0.2 0.917 115.7 41.2 -58.1 -47.1 1.5 40.8 17.5 73 72 A V H X S+ 0 0 0 -4,-1.9 4,-3.2 2,-0.2 5,-0.3 0.925 114.4 51.2 -70.9 -47.0 -0.4 41.0 14.2 74 73 A Y H X S+ 0 0 20 -4,-2.9 4,-1.5 1,-0.2 -2,-0.2 0.930 116.0 42.4 -55.3 -47.5 -3.1 43.3 15.6 75 74 A L H X>S+ 0 0 0 -4,-2.8 5,-2.2 -5,-0.2 4,-2.0 0.933 116.0 48.8 -64.3 -48.4 -0.4 45.7 16.8 76 75 A G H <>S+ 0 0 0 -4,-2.9 5,-1.7 -5,-0.2 3,-0.2 0.940 114.6 43.8 -54.0 -53.5 1.7 45.3 13.6 77 76 A V H <5S+ 0 0 10 -4,-3.2 -1,-0.2 1,-0.2 -2,-0.2 0.774 124.9 33.1 -65.5 -30.3 -1.2 45.9 11.3 78 77 A N H <5S- 0 0 58 -4,-1.5 -1,-0.2 -5,-0.3 -2,-0.2 0.516 137.6 -5.2-110.8 -6.2 -2.7 48.9 13.2 79 78 A A T <5S+ 0 0 33 -4,-2.0 -3,-0.2 -3,-0.2 -2,-0.1 0.519 117.2 58.0-152.9 -39.2 0.3 50.7 14.8 80 79 A L T - 0 0 13 -2,-0.3 3,-1.9 79,-0.1 4,-0.1 -0.860 48.7 -34.2-121.1 147.4 -2.0 20.0 9.7 99 98 A G G > S+ 0 0 3 -2,-0.3 3,-1.4 1,-0.3 4,-0.3 -0.174 126.6 11.6 55.0-122.0 -5.6 18.8 10.0 100 99 A D G 3 S+ 0 0 57 1,-0.3 4,-0.4 2,-0.1 3,-0.4 0.650 122.4 66.6 -64.6 -19.5 -7.2 18.9 13.4 101 100 A D G < S+ 0 0 47 -3,-1.9 4,-0.4 1,-0.2 -1,-0.3 0.663 80.4 79.1 -76.3 -18.1 -4.3 21.0 14.8 102 101 A V S X S+ 0 0 8 -3,-1.4 3,-0.8 1,-0.2 -1,-0.2 0.839 84.5 58.1 -67.2 -35.4 -5.0 24.1 12.7 103 102 A I T 3 S+ 0 0 35 -3,-0.4 -1,-0.2 -4,-0.3 -2,-0.1 0.914 115.1 35.4 -60.6 -43.9 -7.9 25.5 14.8 104 103 A Y T 3 S+ 0 0 65 -4,-0.4 2,-0.3 -3,-0.3 -1,-0.2 0.356 92.5 121.7 -92.7 3.3 -5.8 25.8 18.0 105 104 A S <> - 0 0 7 -3,-0.8 4,-1.7 -4,-0.4 5,-0.1 -0.522 52.0-156.5 -73.6 130.2 -2.6 26.7 16.1 106 105 A G H > S+ 0 0 4 -2,-0.3 4,-2.0 2,-0.2 5,-0.1 0.814 95.9 57.3 -69.6 -34.0 -0.9 30.0 17.1 107 106 A T H > S+ 0 0 0 2,-0.2 4,-1.3 1,-0.2 -1,-0.2 0.924 111.6 40.7 -61.1 -47.1 0.8 30.1 13.6 108 107 A V H > S+ 0 0 0 1,-0.2 4,-2.7 2,-0.2 -2,-0.2 0.843 110.2 60.6 -70.2 -35.2 -2.6 29.9 11.9 109 108 A A H X S+ 0 0 0 -4,-1.7 4,-1.9 1,-0.2 -2,-0.2 0.882 103.1 50.3 -58.2 -43.7 -4.1 32.3 14.5 110 109 A A H X S+ 0 0 0 -4,-2.0 4,-0.9 2,-0.2 -1,-0.2 0.906 112.5 46.6 -61.3 -43.1 -1.5 35.1 13.5 111 110 A A H >< S+ 0 0 0 -4,-1.3 3,-0.8 1,-0.2 10,-0.2 0.919 109.7 54.3 -64.7 -43.1 -2.4 34.6 9.8 112 111 A M H >< S+ 0 0 4 -4,-2.7 3,-1.3 1,-0.3 -1,-0.2 0.859 104.5 54.7 -61.1 -37.6 -6.1 34.7 10.6 113 112 A E H 3< S+ 0 0 15 -4,-1.9 3,-0.3 1,-0.2 -1,-0.3 0.768 110.4 46.9 -65.9 -28.2 -5.7 38.0 12.4 114 113 A G T X< S+ 0 0 1 -4,-0.9 3,-1.1 -3,-0.8 -26,-0.3 0.187 79.9 108.2 -97.4 17.0 -4.1 39.4 9.2 115 114 A R T < + 0 0 17 -3,-1.3 39,-2.2 1,-0.3 40,-0.5 0.686 66.7 64.0 -72.9 -19.9 -6.7 38.1 6.8 116 115 A H T 3 S+ 0 0 103 -3,-0.3 -1,-0.3 38,-0.2 37,-0.1 0.302 83.9 108.5 -87.1 9.9 -8.3 41.5 6.0 117 116 A L S < S- 0 0 6 -3,-1.1 37,-0.3 2,-0.3 -31,-0.1 -0.062 90.0 -87.0 -83.1-178.2 -5.2 42.9 4.3 118 117 A G S S+ 0 0 51 -33,-0.5 -31,-0.2 35,-0.1 -32,-0.1 0.793 115.6 29.7 -58.0 -34.4 -4.3 43.8 0.7 119 118 A F S S- 0 0 30 -33,-2.3 -2,-0.3 31,-0.1 -31,-0.3 -0.904 99.6 -93.2-121.7 156.2 -3.1 40.2 0.2 120 119 A P - 0 0 3 0, 0.0 36,-0.2 0, 0.0 -5,-0.1 -0.396 49.3-107.8 -64.8 145.7 -4.2 36.9 1.8 121 120 A A E - d 0 156A 0 34,-1.5 36,-2.6 -10,-0.2 2,-0.5 -0.398 26.7-141.0 -75.6 150.6 -2.2 36.0 4.9 122 121 A L E -cd 89 157A 0 -34,-2.2 -32,-2.7 34,-0.2 2,-0.5 -0.957 10.9-167.5-113.9 128.8 0.3 33.1 4.8 123 122 A A E -cd 90 158A 0 34,-2.6 36,-3.5 -2,-0.5 2,-0.5 -0.982 16.4-169.4-108.2 123.3 0.8 30.6 7.7 124 123 A V E + d 0 159A 0 -34,-3.4 -31,-2.8 -2,-0.5 -32,-0.5 -0.963 9.9 173.8-122.8 124.4 4.0 28.6 7.0 125 124 A S E -cd 93 160A 0 34,-2.4 36,-2.7 -2,-0.5 2,-0.4 -0.986 24.1-137.8-130.3 135.7 5.0 25.5 9.0 126 125 A L E -cd 94 161A 0 -33,-2.8 2,-2.3 -2,-0.4 -31,-1.5 -0.800 19.5-130.8 -91.5 133.4 7.9 23.1 8.4 127 126 A N E S+ d 0 162A 54 34,-3.3 36,-0.5 -2,-0.4 2,-0.3 -0.238 88.6 3.8 -76.8 51.7 7.1 19.5 8.9 128 127 A G S S- 0 0 10 -2,-2.3 -33,-1.0 -35,-0.2 -2,-0.2 -0.973 86.6 -89.4 156.6-165.4 10.2 19.2 11.1 129 128 A Y S S+ 0 0 169 -2,-0.3 3,-0.1 -35,-0.2 -35,-0.1 0.276 100.2 56.7-128.4 7.3 13.0 21.2 12.6 130 129 A Q S S+ 0 0 138 1,-0.1 2,-2.5 2,-0.0 3,-0.3 0.870 85.4 59.0-107.9 -66.9 15.8 21.2 10.0 131 130 A H >> + 0 0 33 1,-0.2 4,-1.4 2,-0.1 3,-0.6 -0.281 49.7 144.9 -81.1 59.4 15.1 22.4 6.5 132 131 A Y H 3> + 0 0 20 -2,-2.5 4,-2.2 1,-0.2 -1,-0.2 0.809 70.0 64.6 -60.1 -31.5 14.0 26.0 7.2 133 132 A D H 3> S+ 0 0 101 -3,-0.3 4,-2.1 2,-0.2 -1,-0.2 0.882 100.3 50.9 -58.4 -43.1 15.8 27.0 4.0 134 133 A T H <> S+ 0 0 2 -3,-0.6 4,-2.4 2,-0.2 -2,-0.2 0.959 110.7 47.1 -58.0 -54.4 13.2 24.9 2.0 135 134 A A H X S+ 0 0 0 -4,-1.4 4,-2.3 1,-0.2 -2,-0.2 0.839 111.6 52.2 -59.2 -35.3 10.2 26.5 3.7 136 135 A A H X S+ 0 0 5 -4,-2.2 4,-2.5 2,-0.2 -1,-0.2 0.898 109.0 49.2 -67.0 -41.8 11.7 30.0 3.2 137 136 A A H X S+ 0 0 32 -4,-2.1 4,-2.0 2,-0.2 -2,-0.2 0.888 111.6 49.8 -63.6 -40.7 12.2 29.3 -0.6 138 137 A V H X S+ 0 0 1 -4,-2.4 4,-2.2 2,-0.2 -2,-0.2 0.925 111.1 48.7 -62.1 -46.7 8.6 28.1 -0.8 139 138 A T H X S+ 0 0 0 -4,-2.3 4,-2.3 1,-0.2 -2,-0.2 0.911 110.0 52.0 -60.7 -44.0 7.3 31.2 1.0 140 139 A C H X S+ 0 0 22 -4,-2.5 4,-2.1 2,-0.2 -1,-0.2 0.890 109.0 49.8 -59.4 -43.7 9.4 33.5 -1.3 141 140 A A H X S+ 0 0 21 -4,-2.0 4,-2.1 1,-0.2 -1,-0.2 0.918 111.0 49.9 -61.5 -45.1 7.9 31.8 -4.4 142 141 A L H X S+ 0 0 0 -4,-2.2 4,-1.5 1,-0.2 -2,-0.2 0.898 110.5 50.0 -59.2 -43.7 4.4 32.3 -3.0 143 142 A L H X S+ 0 0 0 -4,-2.3 4,-1.1 2,-0.2 -1,-0.2 0.887 111.3 46.9 -65.9 -42.8 5.0 36.0 -2.3 144 143 A R H X S+ 0 0 117 -4,-2.1 4,-2.1 1,-0.2 3,-0.2 0.866 108.4 57.7 -65.7 -37.3 6.3 36.7 -5.7 145 144 A G H X S+ 0 0 4 -4,-2.1 4,-1.8 1,-0.2 -2,-0.2 0.848 105.9 49.3 -58.4 -37.9 3.4 34.8 -7.2 146 145 A L H < S+ 0 0 0 -4,-1.5 -1,-0.2 2,-0.2 -2,-0.2 0.734 107.8 55.4 -74.8 -26.0 1.0 37.2 -5.3 147 146 A S H < S+ 0 0 38 -4,-1.1 -2,-0.2 -3,-0.2 -1,-0.2 0.968 111.0 41.7 -67.9 -56.6 2.9 40.2 -6.7 148 147 A R H < S+ 0 0 168 -4,-2.1 -2,-0.2 1,-0.3 -3,-0.1 0.927 135.0 17.5 -56.3 -51.8 2.5 39.3 -10.4 149 148 A E S < S- 0 0 76 -4,-1.8 -1,-0.3 -5,-0.2 2,-0.1 -0.903 83.6-141.4-128.2 102.2 -1.1 38.2 -9.9 150 149 A P - 0 0 95 0, 0.0 2,-0.3 0, 0.0 -3,-0.1 -0.394 14.6-150.3 -59.6 130.4 -2.9 39.4 -6.8 151 150 A L - 0 0 29 1,-0.1 335,-0.0 -2,-0.1 -5,-0.0 -0.751 30.6 -87.5 -99.9 154.1 -5.2 36.8 -5.2 152 151 A R - 0 0 199 -2,-0.3 3,-0.2 -33,-0.1 -1,-0.1 -0.072 43.0-133.3 -64.5 162.4 -8.4 37.8 -3.3 153 152 A T S S+ 0 0 48 1,-0.1 -37,-0.2 -34,-0.1 3,-0.1 -0.277 73.5 75.4-112.2-170.9 -8.4 38.7 0.4 154 153 A G S S+ 0 0 19 -39,-2.2 68,-0.5 1,-0.3 2,-0.3 0.541 96.0 89.3 76.4 11.0 -10.4 37.9 3.6 155 154 A R - 0 0 26 -40,-0.5 -34,-1.5 -3,-0.2 -1,-0.3 -0.799 62.4-149.1-134.5 165.6 -8.6 34.6 3.3 156 155 A I E -dE 121 220A 3 64,-1.8 64,-2.7 -2,-0.3 2,-0.5 -0.964 12.6-136.0-134.7 158.6 -5.4 32.8 4.4 157 156 A L E -dE 122 219A 5 -36,-2.6 -34,-2.6 -2,-0.3 2,-0.8 -0.975 13.8-151.4-111.6 121.2 -3.3 30.1 2.9 158 157 A N E -dE 123 218A 0 60,-3.2 60,-2.4 -2,-0.5 2,-0.5 -0.857 20.0-167.0 -91.8 112.2 -2.1 27.4 5.4 159 158 A V E -dE 124 217A 0 -36,-3.5 -34,-2.4 -2,-0.8 2,-0.5 -0.880 13.0-174.2-111.0 120.7 1.2 26.1 4.0 160 159 A N E -dE 125 216A 0 56,-2.4 56,-2.6 -2,-0.5 -34,-0.2 -0.968 10.6-160.3-114.0 124.4 2.9 23.0 5.2 161 160 A V E -d 126 0A 0 -36,-2.7 -34,-3.3 -2,-0.5 54,-0.1 -0.869 20.0-118.8-108.1 130.6 6.4 22.3 3.9 162 161 A P E -d 127 0A 3 0, 0.0 2,-2.2 0, 0.0 -34,-0.1 -0.399 28.9-114.2 -63.9 143.3 8.1 18.9 3.9 163 162 A D S S+ 0 0 47 -36,-0.5 -34,-0.1 -2,-0.1 -31,-0.1 -0.495 78.9 111.9 -79.4 71.1 11.3 18.7 5.9 164 163 A L S S- 0 0 42 -2,-2.2 -30,-0.2 -33,-0.2 2,-0.1 -0.907 78.6 -86.2-135.8 160.1 13.4 18.0 2.8 165 164 A P >> - 0 0 51 0, 0.0 3,-2.2 0, 0.0 4,-0.7 -0.459 49.2-110.5 -61.8 148.3 16.0 19.7 0.7 166 165 A L G >4 S+ 0 0 55 1,-0.3 3,-1.2 2,-0.2 333,-0.1 0.843 117.8 60.6 -52.5 -39.1 14.3 21.9 -1.9 167 166 A A G 34 S+ 0 0 107 1,-0.2 -1,-0.3 332,-0.0 332,-0.0 0.663 103.2 52.7 -63.3 -17.9 15.5 19.6 -4.8 168 167 A Q G <4 S+ 0 0 119 -3,-2.2 2,-0.3 3,-0.0 -1,-0.2 0.573 78.3 110.7 -94.9 -13.2 13.5 16.7 -3.1 169 168 A V << - 0 0 16 -3,-1.2 45,-0.2 -4,-0.7 3,-0.1 -0.511 58.9-153.8 -64.8 122.0 10.2 18.6 -2.9 170 169 A K - 0 0 139 43,-2.7 2,-0.3 -2,-0.3 44,-0.2 0.651 51.0 -79.5 -77.6 -16.6 7.9 16.9 -5.4 171 170 A G E -f 214 0A 17 42,-0.6 44,-2.7 2,-0.0 2,-0.4 -0.978 51.7 -62.7 150.4-160.7 5.7 19.9 -6.0 172 171 A I E -f 215 0A 24 -2,-0.3 2,-0.4 42,-0.2 44,-0.2 -0.992 41.2-173.4-133.0 126.0 2.8 22.0 -4.6 173 172 A R E -f 216 0A 123 42,-2.7 44,-2.5 -2,-0.4 2,-0.5 -0.951 25.4-130.1-123.2 138.3 -0.8 20.7 -4.0 174 173 A V E +f 217 0A 18 -2,-0.4 2,-0.2 42,-0.2 44,-0.2 -0.769 45.3 173.4 -80.0 124.1 -4.0 22.4 -2.9 175 174 A T - 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0 0 20 -4,-0.7 3,-1.5 -5,-0.3 2,-0.3 0.895 36.5-175.2 70.1 42.3 3.8 29.2 -12.1 495 249 B V T 3 S+ 0 0 20 -2,-0.3 3,-0.5 -325,-0.1 -1,-0.2 0.355 99.8 100.3 89.2 -4.6 6.9 26.2 -7.5 497 251 B T T < + 0 0 69 -3,-1.5 -2,-0.1 1,-0.2 -3,-0.0 0.156 69.6 66.6 -96.8 16.7 7.8 25.8 -11.2 498 252 B Q T 3 0 0 164 -4,-0.0 -1,-0.2 0, 0.0 -3,-0.1 0.156 360.0 360.0-123.5 17.7 11.1 27.6 -10.8 499 253 B W < 0 0 110 -3,-0.5 -332,-0.0 -333,-0.1 -333,-0.0 -0.418 360.0 360.0 -95.8 360.0 13.1 25.3 -8.5