==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=4-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 12-DEC-00 1HP1 . COMPND 2 MOLECULE: 5'-NUCLEOTIDASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR T.KNOEFEL,N.STRAETER . 516 1 1 1 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 21227.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 359 69.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 40 7.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 85 16.5 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 7 1.4 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 . 42 8.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 52 10.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 108 20.9 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 3 0 0 2 0 0 2 1 1 0 1 1 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 3 3 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 PARALLEL BRIDGES PER LADDER . 2 4 2 2 2 1 2 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 2 2 1 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 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 26 A Y 0 0 98 0, 0.0 2,-0.5 0, 0.0 137,-0.1 0.000 360.0 360.0 360.0 167.2 24.5 18.6 12.8 2 27 A E > - 0 0 116 1,-0.1 3,-1.8 2,-0.0 277,-0.4 -0.676 360.0-112.2 -80.7 126.4 25.5 16.6 9.8 3 28 A Q T 3 S+ 0 0 119 -2,-0.5 3,-0.1 1,-0.3 -1,-0.1 -0.294 96.2 5.8 -60.0 142.4 28.6 18.0 8.2 4 29 A D T 3 S+ 0 0 95 1,-0.2 2,-0.4 -3,-0.0 -1,-0.3 0.580 95.1 137.6 59.5 13.1 28.1 19.5 4.7 5 30 A K < - 0 0 58 -3,-1.8 2,-0.7 1,-0.0 274,-0.5 -0.708 48.6-140.8 -88.9 139.4 24.3 19.0 5.1 6 31 A T - 0 0 66 -2,-0.4 2,-0.4 272,-0.1 272,-0.2 -0.903 15.8-163.5-104.5 117.7 22.2 21.9 3.8 7 32 A Y E -A 277 0A 0 270,-3.0 270,-2.8 -2,-0.7 2,-0.6 -0.830 8.9-147.0-101.0 133.7 19.2 22.6 6.0 8 33 A K E +A 276 0A 84 -2,-0.4 43,-2.0 41,-0.3 2,-0.4 -0.891 21.4 179.9-101.3 123.5 16.4 24.7 4.7 9 34 A I E -Ab 275 51A 2 266,-2.4 266,-3.3 -2,-0.6 2,-0.5 -0.984 12.3-163.9-127.8 127.0 14.7 26.7 7.4 10 35 A T E -Ab 274 52A 7 41,-3.2 43,-2.2 -2,-0.4 2,-0.6 -0.938 4.8-161.9-111.3 124.3 11.8 29.1 6.9 11 36 A V E -Ab 273 53A 0 262,-3.0 262,-2.9 -2,-0.5 2,-0.3 -0.938 6.9-169.1-106.9 120.4 11.0 31.6 9.7 12 37 A L E +Ab 272 54A 0 41,-2.9 43,-2.8 -2,-0.6 2,-0.3 -0.793 13.7 178.2-102.4 147.2 7.6 33.1 9.5 13 38 A H E +Ab 271 55A 0 258,-1.8 258,-3.0 -2,-0.3 2,-0.3 -0.999 20.3 172.9-154.9 155.1 6.7 36.0 11.8 14 39 A T E - b 0 56A 5 41,-1.6 43,-2.4 -2,-0.3 2,-0.3 -0.885 12.0-174.0-145.6 171.1 4.2 38.6 12.8 15 40 A N + 0 0 1 248,-0.3 252,-0.5 -2,-0.3 44,-0.1 -0.982 56.2 31.1-165.0 159.9 4.0 41.2 15.6 16 41 A D + 0 0 0 42,-2.8 250,-2.8 -2,-0.3 43,-0.2 0.876 56.6 165.7 52.3 47.1 1.7 43.8 17.2 17 42 A H > - 0 0 4 41,-0.4 3,-1.6 248,-0.2 43,-0.2 0.860 18.1-170.6 -58.6 -40.8 -1.4 41.8 16.6 18 43 A H T 3 - 0 0 6 41,-2.8 43,-0.2 1,-0.3 42,-0.2 0.854 65.9 -48.9 46.3 52.9 -3.2 44.0 19.1 19 44 A G T 3 S+ 0 0 1 41,-2.2 2,-1.5 44,-0.1 3,-0.4 0.507 93.5 138.5 73.9 7.7 -6.5 42.0 19.3 20 45 A H < + 0 0 16 -3,-1.6 10,-0.3 1,-0.2 -1,-0.1 -0.244 13.8 135.2 -83.0 51.5 -7.1 41.7 15.6 21 46 A F + 0 0 1 -2,-1.5 10,-2.7 9,-0.2 11,-0.5 0.824 62.4 60.8 -66.1 -29.1 -8.2 38.0 15.7 22 47 A W S S- 0 0 40 -3,-0.4 8,-0.2 8,-0.3 6,-0.0 -0.639 94.6-100.6 -99.9 154.0 -11.1 38.8 13.3 23 48 A R - 0 0 91 -2,-0.2 6,-0.2 6,-0.2 7,-0.1 -0.276 44.6-112.9 -63.6 157.0 -11.1 40.1 9.8 24 49 A N > - 0 0 30 4,-2.4 3,-2.1 1,-0.1 -1,-0.1 -0.224 38.0 -83.6 -85.7-178.3 -11.8 43.8 9.4 25 50 A E T 3 S+ 0 0 160 1,-0.3 -1,-0.1 2,-0.1 -2,-0.1 0.682 129.8 49.8 -60.7 -18.4 -14.8 45.5 7.8 26 51 A Y T 3 S- 0 0 80 2,-0.1 -1,-0.3 269,-0.0 272,-0.0 0.202 122.2-102.3-104.6 13.6 -13.2 45.1 4.3 27 52 A G S < S+ 0 0 25 -3,-2.1 2,-0.2 1,-0.2 -2,-0.1 0.697 73.7 146.6 75.2 21.3 -12.3 41.5 4.7 28 53 A E - 0 0 26 267,-0.0 -4,-2.4 -6,-0.0 -1,-0.2 -0.605 53.9 -26.8 -93.0 152.5 -8.7 42.2 5.5 29 54 A Y + 0 0 17 263,-2.6 4,-0.3 -2,-0.2 -6,-0.2 0.027 63.7 146.9 45.6-150.1 -6.4 40.1 7.8 30 55 A G > - 0 0 1 236,-0.5 4,-1.6 -10,-0.3 -8,-0.3 -0.000 62.8 -92.2 99.3 155.8 -7.8 38.1 10.7 31 56 A L H > S+ 0 0 0 -10,-2.7 4,-2.4 1,-0.2 -1,-0.1 0.713 117.9 66.6 -80.3 -18.4 -6.4 34.9 12.1 32 57 A A H > S+ 0 0 2 -11,-0.5 276,-2.1 2,-0.2 4,-1.5 0.922 108.5 38.8 -67.9 -41.9 -8.7 32.6 9.9 33 58 A A H > S+ 0 0 0 -4,-0.3 4,-2.4 274,-0.2 5,-0.2 0.896 113.9 56.5 -72.6 -37.7 -6.9 33.8 6.7 34 59 A Q H X S+ 0 0 1 -4,-1.6 4,-2.9 1,-0.2 5,-0.3 0.924 105.0 52.8 -57.4 -41.7 -3.6 33.8 8.6 35 60 A K H X S+ 0 0 26 -4,-2.4 4,-2.7 1,-0.2 5,-0.2 0.916 107.9 49.8 -60.6 -45.3 -4.2 30.1 9.4 36 61 A T H X S+ 0 0 45 -4,-1.5 4,-2.1 270,-0.3 -1,-0.2 0.929 113.8 46.3 -60.6 -44.8 -4.8 29.2 5.7 37 62 A L H X S+ 0 0 25 -4,-2.4 4,-2.3 2,-0.2 -2,-0.2 0.942 114.4 44.9 -63.8 -50.4 -1.7 31.0 4.7 38 63 A V H X S+ 0 0 0 -4,-2.9 4,-2.9 1,-0.2 5,-0.2 0.928 112.1 52.9 -62.5 -42.1 0.6 29.5 7.3 39 64 A D H X S+ 0 0 57 -4,-2.7 4,-2.0 -5,-0.3 -1,-0.2 0.921 110.8 49.2 -56.6 -43.9 -0.9 26.0 6.8 40 65 A G H X S+ 0 0 38 -4,-2.1 4,-2.3 -5,-0.2 -1,-0.2 0.869 110.1 48.5 -65.1 -39.8 -0.1 26.4 3.1 41 66 A I H X S+ 0 0 6 -4,-2.3 4,-2.9 2,-0.2 5,-0.3 0.921 109.6 52.9 -67.7 -41.5 3.5 27.6 3.7 42 67 A R H X S+ 0 0 70 -4,-2.9 4,-2.7 1,-0.2 -2,-0.2 0.909 109.9 49.6 -57.7 -40.9 4.1 24.6 6.0 43 68 A K H X S+ 0 0 167 -4,-2.0 4,-2.1 -5,-0.2 -1,-0.2 0.926 111.6 48.2 -63.1 -45.1 2.8 22.3 3.3 44 69 A E H X S+ 0 0 84 -4,-2.3 4,-1.1 1,-0.2 -2,-0.2 0.933 115.2 44.0 -59.8 -48.8 5.1 23.9 0.7 45 70 A V H X>S+ 0 0 2 -4,-2.9 5,-2.6 1,-0.2 4,-0.5 0.885 110.4 54.8 -66.4 -37.3 8.2 23.7 3.0 46 71 A A H ><5S+ 0 0 72 -4,-2.7 3,-1.0 -5,-0.3 -1,-0.2 0.902 106.3 52.7 -63.5 -38.9 7.4 20.2 4.1 47 72 A A H 3<5S+ 0 0 92 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.786 109.9 48.5 -67.1 -26.4 7.3 19.1 0.4 48 73 A E H 3<5S- 0 0 87 -4,-1.1 -1,-0.3 -3,-0.3 -2,-0.2 0.457 117.8-113.7 -90.2 -3.5 10.8 20.7 -0.0 49 74 A G T <<5S+ 0 0 46 -3,-1.0 -41,-0.3 -4,-0.5 -3,-0.2 0.678 73.6 128.2 80.2 17.6 12.1 18.9 3.1 50 75 A G < - 0 0 16 -5,-2.6 2,-0.3 -6,-0.1 -41,-0.2 -0.195 53.7-117.0 -94.6-171.9 12.6 22.1 5.1 51 76 A S E -b 9 0A 13 -43,-2.0 -41,-3.2 84,-0.1 2,-0.4 -0.909 16.8-147.0-126.6 155.2 11.5 23.3 8.5 52 77 A V E -b 10 0A 13 -2,-0.3 2,-0.4 -43,-0.2 -41,-0.2 -0.964 10.8-175.6-126.0 140.1 9.3 26.1 9.7 53 78 A L E -b 11 0A 0 -43,-2.2 -41,-2.9 -2,-0.4 2,-0.5 -0.997 10.8-160.0-129.4 130.8 9.4 28.2 12.8 54 79 A L E -b 12 0A 0 -2,-0.4 31,-2.8 29,-0.3 32,-1.1 -0.953 16.7-179.7-115.3 120.4 6.6 30.8 13.4 55 80 A L E -bc 13 86A 0 -43,-2.8 -41,-1.6 -2,-0.5 2,-0.4 -0.880 17.6-148.6-124.1 151.1 7.5 33.6 15.8 56 81 A S E -bc 14 87A 0 30,-1.9 32,-2.4 -2,-0.3 -41,-0.3 -0.950 11.8-149.2-117.8 138.8 5.7 36.6 17.2 57 82 A G - 0 0 0 -43,-2.4 -42,-0.2 -2,-0.4 30,-0.1 0.305 53.7-121.4 -83.2 7.6 7.2 39.9 18.2 58 83 A G S S+ 0 0 0 -44,-0.2 -42,-2.8 32,-0.1 -41,-0.4 -0.203 74.3 117.3 89.7-175.0 4.5 40.4 20.8 59 84 A D + 0 0 1 29,-0.2 -41,-2.8 -43,-0.2 -1,-0.1 0.967 30.8 152.2 65.9 59.2 1.8 42.9 21.7 60 85 A I + 0 0 0 -43,-0.2 -41,-2.2 -42,-0.2 2,-0.1 0.811 52.1 81.9 -82.7 -34.7 -1.1 40.5 21.2 61 86 A N S S+ 0 0 3 -43,-0.2 -43,-0.2 -42,-0.1 31,-0.1 -0.446 77.0 21.5 -76.9 148.5 -3.1 42.4 23.7 62 87 A T S S+ 0 0 11 2,-0.2 -42,-0.1 -2,-0.1 30,-0.1 0.922 72.8 81.6 73.6 116.4 -5.1 45.6 23.3 63 88 A G S S+ 0 0 14 1,-0.2 -44,-0.1 -44,-0.1 -2,-0.1 0.341 76.5 62.3 151.1 -11.0 -6.6 47.3 20.3 64 89 A V >> - 0 0 26 1,-0.1 4,-2.9 423,-0.0 3,-1.2 -0.972 68.6-135.9-143.1 124.5 -10.0 45.8 19.4 65 90 A P H 3> S+ 0 0 26 0, 0.0 4,-2.9 0, 0.0 5,-0.2 0.874 103.0 53.7 -46.6 -50.2 -13.0 45.8 21.7 66 91 A E H 34 S+ 0 0 11 1,-0.2 4,-0.1 2,-0.2 256,-0.1 0.813 117.5 39.3 -60.2 -28.2 -14.1 42.2 21.1 67 92 A S H X4>S+ 0 0 0 -3,-1.2 5,-2.6 -48,-0.2 3,-1.7 0.927 115.4 49.6 -81.3 -52.7 -10.6 41.1 22.1 68 93 A D H ><5S+ 0 0 33 -4,-2.9 3,-1.7 1,-0.3 -2,-0.2 0.860 105.5 57.5 -54.1 -43.5 -9.9 43.5 24.9 69 94 A L T 3<5S+ 0 0 46 -4,-2.9 -1,-0.3 -5,-0.3 -2,-0.1 0.661 113.8 40.4 -65.5 -15.6 -13.2 42.7 26.6 70 95 A Q T X 5S- 0 0 25 -3,-1.7 3,-1.9 -5,-0.2 -1,-0.3 0.059 116.1-110.0-120.5 24.1 -12.2 39.1 26.7 71 96 A D T < 5 - 0 0 52 -3,-1.7 -3,-0.2 1,-0.3 -2,-0.1 0.838 68.4 -67.2 51.3 37.9 -8.5 39.6 27.7 72 97 A A T 3> S+ 0 0 45 -3,-1.9 4,-2.6 -6,-0.4 5,-0.3 0.931 71.4 50.9 -55.8 -47.2 -8.5 34.9 24.8 74 99 A P H > S+ 0 0 0 0, 0.0 4,-2.7 0, 0.0 -1,-0.2 0.908 109.8 51.9 -57.9 -38.6 -9.6 34.6 21.1 75 100 A D H > S+ 0 0 0 2,-0.2 4,-2.4 1,-0.2 -2,-0.2 0.932 111.8 43.3 -65.3 -46.0 -6.2 35.9 20.0 76 101 A F H X S+ 0 0 0 -4,-2.3 4,-1.8 2,-0.2 33,-0.3 0.912 116.2 47.7 -68.3 -40.8 -4.2 33.4 22.0 77 102 A R H X S+ 0 0 87 -4,-2.6 4,-1.6 -5,-0.2 -2,-0.2 0.906 112.5 50.1 -66.0 -39.2 -6.4 30.5 21.1 78 103 A G H X S+ 0 0 0 -4,-2.7 4,-2.4 -5,-0.3 5,-0.3 0.906 107.6 53.7 -63.9 -40.9 -6.3 31.5 17.5 79 104 A M H X>S+ 0 0 2 -4,-2.4 5,-1.9 1,-0.2 4,-1.8 0.872 104.1 56.2 -61.1 -34.7 -2.5 31.7 17.7 80 105 A N H <5S+ 0 0 25 -4,-1.8 -1,-0.2 3,-0.2 -2,-0.2 0.919 109.6 46.1 -59.7 -42.2 -2.5 28.1 19.0 81 106 A L H <5S+ 0 0 38 -4,-1.6 -2,-0.2 1,-0.2 -1,-0.2 0.858 110.0 50.8 -72.8 -33.8 -4.4 27.0 15.9 82 107 A V H <5S- 0 0 1 -4,-2.4 -1,-0.2 -5,-0.1 -2,-0.2 0.839 117.0-123.7 -68.1 -28.6 -2.1 28.9 13.5 83 108 A G T <5 - 0 0 22 -4,-1.8 -29,-0.3 -5,-0.3 -3,-0.2 0.879 33.4-169.6 90.5 45.3 0.7 27.2 15.4 84 109 A Y < - 0 0 11 -5,-1.9 -29,-0.2 1,-0.1 -1,-0.1 -0.365 11.6-157.4 -63.6 144.6 3.0 29.8 16.8 85 110 A D - 0 0 26 -31,-2.8 2,-0.3 1,-0.4 -30,-0.2 0.751 67.6 -18.7 -93.7 -29.1 6.2 28.4 18.2 86 111 A A E -c 55 0A 0 -32,-1.1 -30,-1.9 24,-0.2 -1,-0.4 -0.971 54.9-153.3-170.6 160.0 7.1 31.3 20.5 87 112 A M E -cd 56 112A 0 24,-2.1 26,-3.1 -2,-0.3 2,-0.3 -0.997 19.6-125.2-143.7 145.9 6.4 35.0 21.2 88 113 A A E - d 0 113A 0 -32,-2.4 2,-0.4 -2,-0.3 -29,-0.2 -0.668 38.3-109.9 -83.8 144.0 8.3 37.8 22.7 89 114 A I - 0 0 0 24,-2.4 103,-0.2 -2,-0.3 2,-0.2 -0.627 37.8-153.5 -75.2 128.7 6.5 39.5 25.6 90 115 A G > - 0 0 0 -2,-0.4 3,-1.4 56,-0.1 4,-0.2 -0.535 27.5-105.8 -97.8 168.2 5.4 43.0 24.5 91 116 A N G > S+ 0 0 13 1,-0.3 3,-1.7 -2,-0.2 -1,-0.1 0.853 118.2 59.6 -63.0 -32.1 4.7 46.1 26.6 92 117 A H G > S+ 0 0 6 1,-0.3 3,-1.7 2,-0.2 4,-0.3 0.634 84.2 77.8 -73.3 -7.8 1.0 45.7 26.1 93 118 A E G < S+ 0 0 0 -3,-1.4 -1,-0.3 1,-0.3 3,-0.3 0.630 93.1 55.8 -70.5 -9.3 1.1 42.3 27.7 94 119 A F G < S+ 0 0 8 -3,-1.7 -1,-0.3 -4,-0.2 63,-0.2 0.217 76.8 93.6-104.5 14.7 1.3 44.4 30.9 95 120 A D S < S+ 0 0 40 -3,-1.7 -1,-0.2 2,-0.1 -2,-0.1 0.738 87.6 51.5 -74.0 -22.9 -1.9 46.4 30.2 96 121 A N S S- 0 0 30 -4,-0.3 5,-0.1 -3,-0.3 61,-0.1 -0.725 106.7 -82.8-109.6 162.7 -3.7 43.8 32.3 97 122 A P >> - 0 0 39 0, 0.0 4,-1.6 0, 0.0 3,-1.2 -0.177 44.7-105.7 -59.4 158.2 -2.9 42.6 35.8 98 123 A L H 3> S+ 0 0 60 1,-0.3 4,-2.8 2,-0.2 5,-0.2 0.820 120.1 66.2 -58.3 -28.2 -0.2 39.9 36.1 99 124 A T H 3> S+ 0 0 106 1,-0.2 4,-1.7 2,-0.2 -1,-0.3 0.901 102.7 46.9 -59.5 -37.8 -3.1 37.4 36.8 100 125 A V H <> S+ 0 0 13 -3,-1.2 4,-2.3 2,-0.2 -1,-0.2 0.893 110.8 50.2 -72.9 -39.4 -4.3 37.9 33.3 101 126 A L H X S+ 0 0 2 -4,-1.6 4,-2.0 1,-0.2 -2,-0.2 0.913 110.0 51.1 -66.6 -36.4 -0.9 37.5 31.7 102 127 A R H X S+ 0 0 66 -4,-2.8 4,-1.5 1,-0.2 -1,-0.2 0.897 109.4 51.2 -67.4 -32.7 -0.4 34.3 33.6 103 128 A Q H X S+ 0 0 80 -4,-1.7 4,-2.2 1,-0.2 -2,-0.2 0.879 108.4 51.9 -67.8 -39.4 -3.8 33.2 32.3 104 129 A Q H X S+ 0 0 0 -4,-2.3 4,-3.0 1,-0.2 -1,-0.2 0.867 106.0 53.9 -65.5 -36.2 -2.7 34.0 28.8 105 130 A E H < S+ 0 0 65 -4,-2.0 -1,-0.2 2,-0.2 -2,-0.2 0.870 108.7 50.1 -64.1 -37.4 0.4 31.9 29.3 106 131 A K H < S+ 0 0 167 -4,-1.5 -2,-0.2 1,-0.2 -1,-0.2 0.893 112.9 45.9 -66.9 -38.9 -1.9 29.0 30.3 107 132 A W H < S+ 0 0 28 -4,-2.2 2,-0.3 -5,-0.1 -2,-0.2 0.926 99.2 82.5 -69.1 -43.1 -4.0 29.5 27.2 108 133 A A < - 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0 0 12 -5,-1.3 -1,-0.2 -6,-0.3 94,-0.2 -0.335 41.5-147.8 -75.4 156.0 -0.4 64.0 31.0 366 400 A D S S- 0 0 40 92,-2.8 2,-0.3 1,-0.2 93,-0.2 0.707 81.7 -3.7 -89.9 -29.6 -0.7 67.5 32.6 367 401 A F E -t 459 0I 0 91,-1.5 93,-2.3 79,-0.1 2,-0.3 -0.931 67.5-159.7-153.4 173.5 -3.0 69.0 29.9 368 402 A A E -tU 460 430I 0 62,-1.8 62,-2.0 -2,-0.3 2,-0.3 -0.991 6.3-167.9-158.1 162.3 -4.5 67.9 26.6 369 403 A V E + U 0 429I 0 91,-1.8 2,-0.3 -2,-0.3 93,-0.3 -0.981 8.3 169.5-150.8 153.7 -6.1 69.0 23.4 370 404 A M E - U 0 428I 3 58,-1.9 58,-3.1 -2,-0.3 2,-0.3 -0.952 42.0 -91.1-157.4 162.4 -8.0 67.5 20.5 371 405 A S E > - U 0 427I 1 -2,-0.3 3,-1.9 56,-0.2 4,-0.2 -0.591 25.8-135.4 -76.8 137.9 -10.0 68.9 17.6 372 406 A G G > S+ 0 0 0 54,-3.2 3,-2.1 1,-0.3 53,-0.2 0.834 105.9 68.2 -62.3 -27.8 -13.7 69.4 18.2 373 407 A G G 3 S+ 0 0 8 51,-2.6 -1,-0.3 1,-0.3 52,-0.1 0.629 88.5 66.7 -65.8 -11.9 -14.2 67.8 14.8 374 408 A G G < S+ 0 0 15 -3,-1.9 2,-0.7 50,-0.3 -1,-0.3 0.550 81.8 83.9 -84.0 -10.7 -13.0 64.6 16.5 375 409 A I < + 0 0 3 -3,-2.1 18,-0.2 -4,-0.2 17,-0.1 -0.873 56.0 175.4 -96.7 116.4 -16.1 64.5 18.8 376 410 A R + 0 0 87 16,-2.4 2,-0.3 -2,-0.7 16,-0.1 0.362 52.2 10.8-109.2 2.4 -18.8 62.8 16.8 377 411 A D - 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W 0 400I 0 -61,-2.2 -61,-2.9 -2,-0.3 2,-0.3 -0.881 53.0 -73.5-165.9-165.6 -3.8 64.2 22.3 462 496 A L E > - W 0 399I 2 -93,-0.3 4,-2.7 -2,-0.3 3,-0.4 -0.778 33.7-118.9-106.1 156.2 -4.6 61.9 19.3 463 497 A N H > S+ 0 0 40 -65,-2.4 4,-2.3 -2,-0.3 6,-0.3 0.885 113.0 65.4 -58.7 -35.6 -2.2 60.7 16.7 464 498 A F H 4>S+ 0 0 81 1,-0.2 5,-2.4 -66,-0.2 -1,-0.2 0.924 111.5 33.3 -51.8 -48.7 -4.5 62.4 14.1 465 499 A N H >45S+ 0 0 3 -3,-0.4 3,-2.0 3,-0.2 -1,-0.2 0.900 114.2 58.5 -75.6 -40.8 -3.7 65.8 15.6 466 500 A A H 3<5S+ 0 0 0 -4,-2.7 9,-3.4 1,-0.3 10,-1.5 0.798 105.1 51.5 -60.1 -29.2 -0.1 65.0 16.6 467 501 A T T 3<5S- 0 0 69 -4,-2.3 -1,-0.3 7,-0.2 7,-0.2 0.275 134.7 -83.4 -92.7 11.4 0.8 64.1 13.0 468 502 A G T X 5S+ 0 0 25 -3,-2.0 3,-1.7 5,-0.3 -3,-0.2 0.504 70.5 163.2 104.7 2.3 -0.6 67.4 11.7 469 503 A G G > + 0 0 13 -9,-3.4 3,-1.5 -12,-0.1 -8,-0.2 0.519 60.8 80.9-123.1 -16.5 4.5 66.5 17.4 476 510 A D T 3 S+ 0 0 52 -10,-1.5 -9,-0.1 1,-0.3 5,-0.1 0.707 94.1 48.5 -68.6 -21.0 5.2 63.0 16.0 477 511 A N T 3 S+ 0 0 84 -11,-0.3 -1,-0.3 2,-0.1 -2,-0.1 0.073 96.6 90.3-105.9 20.8 8.6 64.0 14.7 478 512 A K S X S- 0 0 96 -3,-1.5 3,-1.2 1,-0.0 -3,-0.1 -0.840 85.9 -99.4-114.0 151.4 9.8 65.7 17.9 479 513 A P T 3 S+ 0 0 106 0, 0.0 3,-0.1 0, 0.0 -76,-0.1 -0.395 105.8 39.8 -69.5 150.9 11.7 64.1 20.7 480 514 A G T 3 S+ 0 0 14 1,-0.3 -77,-1.3 -78,-0.1 2,-0.3 0.438 82.1 135.8 94.4 -0.9 9.6 63.1 23.7 481 515 A Y E < -V 402 0I 29 -3,-1.2 2,-0.4 -79,-0.2 -1,-0.3 -0.636 30.8-174.7 -82.9 137.5 6.7 61.9 21.6 482 516 A V E -V 401 0I 19 -81,-2.8 -81,-2.4 -2,-0.3 2,-0.7 -0.977 18.4-157.7-136.6 121.9 5.0 58.6 22.5 483 517 A N E -V 400 0I 80 -2,-0.4 -83,-0.2 -83,-0.2 -84,-0.1 -0.871 14.4-164.2 -91.8 117.5 2.3 56.8 20.5 484 518 A T E - 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