==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=29-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER STRUCTURAL GENOMICS, UNKNOWN FUNCTION 15-DEC-05 2DBN . COMPND 2 MOLECULE: HYPOTHETICAL PROTEIN YBIU; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR IHSANAWATI,K.MURAYAMA,Y.BESSHO,M.SHIROUZU,S.YOKOYAMA,RIKEN . 403 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17515.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 260 64.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 6 1.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 49 12.2 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 0.2 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 . 1 0.2 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 . 21 5.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 51 12.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 114 28.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 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 4 1 2 2 0 0 1 1 0 0 0 0 2 1 0 0 0 0 0 0 1 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 PARALLEL BRIDGES PER LADDER . 3 6 3 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 0 ANTIPARALLEL BRIDGES PER LADDER . 2 0 0 1 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 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 1 A M 0 0 95 0, 0.0 3,-0.4 0, 0.0 4,-0.1 0.000 360.0 360.0 360.0 -53.4 29.2 36.9 68.2 2 2 A A >> + 0 0 26 1,-0.2 4,-2.6 2,-0.1 3,-2.1 0.830 360.0 68.3 -79.0 -34.0 31.1 35.1 65.4 3 3 A S T 34 S+ 0 0 101 1,-0.3 -1,-0.2 2,-0.2 0, 0.0 0.672 86.3 71.6 -60.8 -16.2 33.9 37.7 65.2 4 4 A T T 34 S+ 0 0 78 -3,-0.4 -1,-0.3 1,-0.1 -2,-0.1 0.664 120.7 9.5 -74.9 -15.0 35.1 36.5 68.7 5 5 A F T <4 S+ 0 0 10 -3,-2.1 -2,-0.2 -4,-0.1 16,-0.1 0.519 101.1 104.8-138.9 -14.9 36.3 33.3 67.1 6 6 A T < - 0 0 32 -4,-2.6 2,-0.3 195,-0.1 195,-0.2 -0.330 40.4-176.8 -74.2 157.3 36.2 33.4 63.3 7 7 A S - 0 0 35 193,-2.4 193,-0.0 190,-0.1 -4,-0.0 -0.946 30.5-141.4-155.6 130.8 39.3 33.9 61.2 8 8 A D S S+ 0 0 118 -2,-0.3 2,-0.3 193,-0.1 223,-0.1 0.698 93.0 29.9 -65.3 -19.5 39.7 34.3 57.4 9 9 A T S S- 0 0 96 191,-0.1 224,-0.1 224,-0.1 223,-0.0 -0.845 112.6 -57.7-134.2 170.9 42.8 32.1 57.6 10 10 A L - 0 0 60 -2,-0.3 2,-0.1 224,-0.1 -2,-0.1 -0.254 60.7-122.2 -51.6 121.8 44.2 29.3 59.8 11 11 A P > - 0 0 21 0, 0.0 3,-0.5 0, 0.0 -1,-0.1 -0.404 8.6-129.7 -69.1 143.9 44.3 30.5 63.4 12 12 A A T 3 S+ 0 0 117 1,-0.3 2,-0.4 2,-0.1 -2,-0.1 0.853 108.0 30.1 -60.3 -35.1 47.7 30.5 65.1 13 13 A D T 3> S+ 0 0 92 1,-0.1 4,-1.7 2,-0.0 -1,-0.3 -0.808 71.5 174.8-126.4 86.7 46.0 28.6 68.0 14 14 A H H <> S+ 0 0 59 -3,-0.5 4,-2.3 -2,-0.4 5,-0.1 0.831 77.8 58.0 -64.7 -32.1 43.2 26.6 66.6 15 15 A K H > S+ 0 0 96 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.908 107.4 47.2 -65.2 -40.5 42.4 24.9 69.9 16 16 A A H > S+ 0 0 36 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.888 112.0 50.3 -66.7 -38.9 41.8 28.2 71.6 17 17 A A H X S+ 0 0 15 -4,-1.7 4,-2.4 1,-0.2 -2,-0.2 0.884 110.1 51.2 -65.5 -38.3 39.6 29.4 68.7 18 18 A I H X S+ 0 0 5 -4,-2.3 4,-2.6 2,-0.2 -2,-0.2 0.925 108.2 51.4 -64.8 -45.0 37.6 26.1 69.0 19 19 A R H X S+ 0 0 88 -4,-2.3 4,-2.0 1,-0.2 -2,-0.2 0.918 113.4 43.6 -60.1 -43.9 37.1 26.6 72.7 20 20 A Q H X S+ 0 0 74 -4,-2.1 4,-2.8 2,-0.2 5,-0.2 0.886 111.1 55.9 -69.3 -36.9 35.8 30.2 72.2 21 21 A M H X S+ 0 0 0 -4,-2.4 4,-2.8 1,-0.2 5,-0.3 0.933 108.3 48.1 -59.6 -45.3 33.7 29.0 69.2 22 22 A K H X S+ 0 0 3 -4,-2.6 4,-2.4 2,-0.2 5,-0.3 0.912 112.3 48.0 -63.0 -43.4 32.0 26.4 71.4 23 23 A H H X S+ 0 0 126 -4,-2.0 4,-1.6 -5,-0.2 -2,-0.2 0.949 115.4 44.9 -62.7 -47.9 31.3 28.9 74.2 24 24 A A H X S+ 0 0 11 -4,-2.8 4,-1.9 1,-0.2 -2,-0.2 0.931 118.0 41.6 -62.1 -49.3 29.8 31.5 71.8 25 25 A L H X S+ 0 0 0 -4,-2.8 4,-2.8 -5,-0.2 5,-0.2 0.858 110.6 55.2 -70.8 -35.8 27.7 29.1 69.8 26 26 A R H X S+ 0 0 84 -4,-2.4 4,-2.1 -5,-0.3 6,-0.3 0.887 109.8 49.8 -63.5 -34.7 26.4 27.1 72.7 27 27 A A H < S+ 0 0 70 -4,-1.6 -2,-0.2 -5,-0.3 -1,-0.2 0.923 111.2 47.6 -67.9 -44.4 25.2 30.4 74.2 28 28 A Q H < S+ 0 0 83 -4,-1.9 -2,-0.2 1,-0.2 -1,-0.2 0.896 114.6 46.6 -63.5 -40.7 23.5 31.3 70.9 29 29 A L H < S- 0 0 14 -4,-2.8 2,-2.1 1,-0.2 -1,-0.2 0.844 84.5-168.4 -70.5 -35.1 21.9 27.9 70.7 30 30 A G S < S+ 0 0 66 -4,-2.1 2,-0.2 -5,-0.2 -1,-0.2 -0.401 78.3 25.6 80.5 -65.3 20.8 27.9 74.3 31 31 A D >> + 0 0 77 -2,-2.1 4,-1.9 1,-0.1 3,-0.6 -0.587 68.9 168.2-130.9 69.6 19.7 24.3 74.4 32 32 A V H 3> S+ 0 0 19 -6,-0.3 4,-3.0 1,-0.2 5,-0.2 0.824 74.6 60.8 -53.9 -34.5 21.8 22.6 71.7 33 33 A Q H 3> S+ 0 0 65 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.929 106.9 44.4 -61.5 -44.1 20.9 19.1 73.0 34 34 A Q H <> S+ 0 0 132 -3,-0.6 4,-2.1 2,-0.2 -1,-0.2 0.917 115.0 48.8 -64.9 -43.3 17.2 19.7 72.4 35 35 A I H X S+ 0 0 33 -4,-1.9 4,-2.2 1,-0.2 -2,-0.2 0.904 112.3 49.2 -62.3 -41.9 17.9 21.2 69.0 36 36 A F H X S+ 0 0 12 -4,-3.0 4,-2.7 -5,-0.2 -2,-0.2 0.886 108.4 53.2 -65.5 -40.2 20.1 18.3 68.1 37 37 A N H X S+ 0 0 77 -4,-2.3 4,-2.1 2,-0.2 -2,-0.2 0.921 111.0 46.1 -61.5 -44.3 17.5 15.8 69.2 38 38 A Q H X S+ 0 0 107 -4,-2.1 4,-2.1 2,-0.2 -2,-0.2 0.906 113.2 49.2 -65.0 -42.7 14.9 17.4 66.9 39 39 A L H X S+ 0 0 11 -4,-2.2 4,-2.7 1,-0.2 5,-0.2 0.896 109.4 53.2 -62.9 -40.9 17.4 17.5 64.0 40 40 A S H X S+ 0 0 20 -4,-2.7 4,-2.5 1,-0.2 -1,-0.2 0.902 107.7 50.7 -61.3 -42.0 18.2 13.9 64.6 41 41 A D H X S+ 0 0 99 -4,-2.1 4,-1.2 2,-0.2 -1,-0.2 0.903 111.2 48.5 -63.4 -40.6 14.5 13.0 64.4 42 42 A D H X S+ 0 0 79 -4,-2.1 4,-0.9 2,-0.2 3,-0.4 0.923 113.4 45.6 -66.3 -43.5 14.2 14.9 61.1 43 43 A I H >X S+ 0 0 0 -4,-2.7 4,-2.1 1,-0.2 3,-0.7 0.885 106.5 61.9 -66.4 -35.2 17.3 13.2 59.6 44 44 A A H 3X S+ 0 0 36 -4,-2.5 4,-2.5 1,-0.3 -1,-0.2 0.828 95.4 59.8 -59.7 -32.7 16.0 9.9 60.9 45 45 A T H 3X S+ 0 0 64 -4,-1.2 4,-1.8 -3,-0.4 -1,-0.3 0.884 107.6 46.4 -63.9 -35.0 12.9 10.3 58.7 46 46 A R H S+ 0 0 42 -4,-2.2 5,-1.8 1,-0.2 4,-0.5 0.923 111.6 49.0 -64.2 -44.1 14.0 1.9 49.5 54 54 A K H ><5S+ 0 0 83 -4,-2.4 3,-0.9 1,-0.2 -1,-0.2 0.887 108.6 54.2 -62.6 -38.9 16.8 -0.6 50.1 55 55 A A H 3<5S+ 0 0 85 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.832 109.8 47.0 -64.0 -33.4 14.3 -3.1 51.5 56 56 A Q T 3<5S- 0 0 143 -4,-1.5 -1,-0.3 -3,-0.2 -2,-0.2 0.477 112.3-120.8 -86.8 -3.4 12.3 -2.9 48.3 57 57 A G T < 5 + 0 0 68 -3,-0.9 -3,-0.2 -4,-0.5 -2,-0.1 0.553 66.6 146.1 74.3 5.8 15.4 -3.2 46.2 58 58 A D < - 0 0 89 -5,-1.8 -1,-0.3 -6,-0.2 -2,-0.1 -0.411 57.8 -91.8 -76.6 151.8 14.5 0.2 44.8 59 59 A A - 0 0 68 1,-0.2 -1,-0.1 -3,-0.1 4,-0.1 -0.349 32.9-175.1 -65.4 139.8 17.1 2.7 43.8 60 60 A V S S+ 0 0 14 252,-0.2 -1,-0.2 2,-0.1 253,-0.1 0.806 70.0 72.0 -99.1 -51.6 18.2 5.2 46.5 61 61 A W S S- 0 0 5 251,-0.3 27,-0.1 1,-0.1 2,-0.1 -0.482 99.4-110.3 -64.0 130.1 20.5 7.4 44.3 62 62 A P - 0 0 6 0, 0.0 27,-2.6 0, 0.0 2,-0.5 -0.438 34.4-151.4 -63.7 137.8 18.2 9.4 41.9 63 63 A V E +a 89 0A 59 25,-0.2 2,-0.3 -4,-0.1 27,-0.2 -0.954 19.2 173.6-117.9 119.0 18.7 8.0 38.4 64 64 A L E -a 90 0A 2 25,-2.8 27,-3.3 -2,-0.5 2,-0.4 -0.908 29.1-123.8-121.1 150.1 18.3 10.3 35.4 65 65 A S E >> -a 91 0A 38 -2,-0.3 4,-1.4 25,-0.2 3,-0.6 -0.732 12.2-138.2 -91.6 141.1 18.9 9.6 31.7 66 66 A Y H 3> S+ 0 0 17 25,-2.7 4,-3.4 -2,-0.4 5,-0.3 0.879 104.0 68.7 -63.3 -33.7 21.3 12.0 30.0 67 67 A A H 3> S+ 0 0 65 24,-0.4 4,-2.2 1,-0.3 -1,-0.2 0.894 101.1 45.9 -50.1 -43.2 18.8 11.8 27.1 68 68 A D H <>>S+ 0 0 53 -3,-0.6 5,-3.0 2,-0.2 4,-1.1 0.881 111.5 50.8 -69.8 -37.6 16.3 13.7 29.3 69 69 A I H <5S+ 0 0 16 -4,-1.4 3,-0.5 3,-0.2 -2,-0.2 0.947 112.6 47.0 -63.4 -46.6 18.9 16.2 30.3 70 70 A K H <5S+ 0 0 146 -4,-3.4 -2,-0.2 1,-0.2 -1,-0.2 0.892 116.3 43.9 -60.2 -42.7 19.9 16.8 26.7 71 71 A A H <5S- 0 0 55 -4,-2.2 -1,-0.2 -5,-0.3 -2,-0.2 0.588 110.5-121.0 -80.3 -11.5 16.2 17.1 25.6 72 72 A G T <5S+ 0 0 62 -4,-1.1 -3,-0.2 -3,-0.5 -4,-0.1 0.845 75.4 127.1 73.0 33.8 15.4 19.3 28.6 73 73 A H < + 0 0 125 -5,-3.0 2,-0.4 -6,-0.2 -4,-0.2 0.089 19.3 133.3-111.0 21.9 12.8 16.7 29.7 74 74 A V - 0 0 14 -6,-0.5 2,-0.1 -5,-0.1 -10,-0.0 -0.608 55.9-125.9 -72.6 129.1 13.8 16.1 33.3 75 75 A T > - 0 0 69 -2,-0.4 4,-2.2 1,-0.1 5,-0.2 -0.324 12.4-116.5 -76.7 158.9 10.6 16.3 35.4 76 76 A A H > S+ 0 0 61 1,-0.2 4,-2.6 2,-0.2 5,-0.1 0.880 118.7 56.1 -59.2 -37.0 10.1 18.5 38.4 77 77 A E H > S+ 0 0 127 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.905 106.4 49.5 -61.9 -42.1 9.7 15.3 40.5 78 78 A Q H > S+ 0 0 31 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.889 110.9 48.7 -64.8 -39.6 13.1 14.2 39.3 79 79 A R H X S+ 0 0 110 -4,-2.2 4,-1.9 1,-0.2 -2,-0.2 0.917 110.1 53.1 -66.3 -40.1 14.7 17.5 40.2 80 80 A E H X S+ 0 0 82 -4,-2.6 4,-2.1 1,-0.2 -2,-0.2 0.897 104.8 55.2 -59.5 -43.7 13.0 17.3 43.6 81 81 A Q H X S+ 0 0 67 -4,-2.2 4,-2.6 1,-0.2 5,-0.2 0.893 106.8 49.6 -58.3 -43.4 14.5 13.8 44.2 82 82 A I H X S+ 0 0 0 -4,-1.7 4,-2.6 1,-0.2 5,-0.4 0.900 110.5 49.9 -65.4 -38.7 18.0 15.1 43.6 83 83 A K H < S+ 0 0 78 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.854 113.3 47.6 -68.3 -30.5 17.5 18.0 46.0 84 84 A R H < S+ 0 0 79 -4,-2.1 184,-0.2 -5,-0.2 -2,-0.2 0.904 122.8 31.7 -75.7 -40.4 16.2 15.5 48.6 85 85 A R H < S- 0 0 27 -4,-2.6 -2,-0.2 2,-0.2 -3,-0.2 0.634 93.4-137.1 -93.0 -16.9 19.0 13.0 48.2 86 86 A G S < S+ 0 0 0 -4,-2.6 239,-2.8 -5,-0.2 2,-0.3 0.716 73.8 68.4 68.6 20.9 21.9 15.4 47.3 87 87 A C E - B 0 324A 0 -5,-0.4 2,-0.3 237,-0.2 237,-0.2 -0.973 56.1-167.3-159.5 169.3 23.2 13.1 44.6 88 88 A A E - B 0 323A 1 235,-2.2 235,-2.6 -2,-0.3 2,-0.5 -0.981 18.6-140.6-164.9 151.2 22.5 11.7 41.2 89 89 A V E -aB 63 322A 0 -27,-2.6 -25,-2.8 -2,-0.3 2,-0.8 -0.978 17.7-155.1-114.6 123.9 23.4 9.1 38.6 90 90 A I E > -aB 64 321A 2 231,-3.1 231,-1.9 -2,-0.5 3,-0.9 -0.899 16.5-144.4-102.7 108.1 23.3 10.3 35.0 91 91 A K E 3 S-a 65 0A 56 -27,-3.3 -25,-2.7 -2,-0.8 -24,-0.4 -0.566 75.9 -1.4 -76.3 129.9 22.8 7.3 32.8 92 92 A G T 3 S+ 0 0 40 -2,-0.3 -1,-0.2 225,-0.2 228,-0.2 0.867 71.2 160.9 61.2 39.3 24.6 7.3 29.5 93 93 A H S < S+ 0 0 1 -3,-0.9 227,-0.2 226,-0.7 -2,-0.1 0.908 80.9 13.3 -55.0 -40.3 26.1 10.7 29.9 94 94 A F S S- 0 0 1 225,-1.8 -1,-0.2 47,-0.0 -2,-0.1 -0.959 103.9 -91.0-132.0 148.6 28.5 9.5 27.2 95 95 A P >> - 0 0 81 0, 0.0 4,-2.2 0, 0.0 3,-0.5 -0.302 37.8-119.2 -58.2 146.5 28.0 6.5 25.0 96 96 A R H 3> S+ 0 0 110 1,-0.3 4,-2.6 2,-0.2 5,-0.3 0.914 114.8 50.8 -54.6 -44.9 29.7 3.4 26.5 97 97 A E H 3> S+ 0 0 137 1,-0.2 4,-1.9 2,-0.2 -1,-0.3 0.801 107.7 53.7 -65.5 -27.8 32.0 3.0 23.5 98 98 A Q H <> S+ 0 0 66 -3,-0.5 4,-2.0 2,-0.2 -1,-0.2 0.926 110.8 46.0 -71.2 -42.5 33.0 6.7 23.8 99 99 A A H X S+ 0 0 0 -4,-2.2 4,-1.8 2,-0.2 -2,-0.2 0.922 114.9 45.9 -65.2 -45.7 34.0 6.2 27.5 100 100 A L H X S+ 0 0 52 -4,-2.6 4,-2.2 1,-0.2 -1,-0.2 0.904 111.5 54.6 -63.4 -39.2 35.9 3.0 26.9 101 101 A G H X S+ 0 0 35 -4,-1.9 4,-2.3 -5,-0.3 -1,-0.2 0.862 105.3 52.0 -61.5 -38.1 37.5 4.8 23.9 102 102 A W H X S+ 0 0 30 -4,-2.0 4,-2.3 2,-0.2 -1,-0.2 0.899 107.6 52.4 -65.8 -39.8 38.7 7.6 26.1 103 103 A D H X S+ 0 0 19 -4,-1.8 4,-1.8 1,-0.2 -2,-0.2 0.938 113.4 43.3 -61.6 -46.2 40.2 5.1 28.6 104 104 A Q H X S+ 0 0 101 -4,-2.2 4,-2.3 1,-0.2 -1,-0.2 0.863 110.3 57.1 -67.5 -36.0 42.2 3.5 25.8 105 105 A S H X S+ 0 0 51 -4,-2.3 4,-1.8 1,-0.2 -1,-0.2 0.910 106.8 48.3 -61.4 -43.2 43.1 6.8 24.3 106 106 A M H X S+ 0 0 11 -4,-2.3 4,-2.2 1,-0.2 -1,-0.2 0.903 110.0 52.4 -65.0 -40.4 44.7 7.9 27.6 107 107 A L H X S+ 0 0 40 -4,-1.8 4,-2.3 1,-0.2 -2,-0.2 0.910 109.7 48.3 -61.7 -41.8 46.6 4.6 27.7 108 108 A D H X S+ 0 0 88 -4,-2.3 4,-2.6 1,-0.2 -1,-0.2 0.847 109.2 53.9 -66.5 -33.5 48.0 5.1 24.2 109 109 A Y H X S+ 0 0 14 -4,-1.8 4,-1.3 2,-0.2 -1,-0.2 0.896 109.1 48.7 -65.9 -41.3 49.0 8.7 25.1 110 110 A L H <>S+ 0 0 13 -4,-2.2 5,-2.4 2,-0.2 -2,-0.2 0.918 113.2 46.6 -64.8 -44.8 50.9 7.3 28.1 111 111 A D H ><5S+ 0 0 102 -4,-2.3 3,-2.1 1,-0.2 -2,-0.2 0.907 106.6 57.8 -64.3 -43.6 52.7 4.7 25.9 112 112 A R H 3<5S+ 0 0 156 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.843 112.4 41.9 -55.7 -34.6 53.5 7.3 23.2 113 113 A N T 3<5S- 0 0 24 -4,-1.3 -1,-0.3 -3,-0.2 -2,-0.2 0.110 112.4-118.7-102.3 21.8 55.3 9.3 25.8 114 114 A R T X>5 + 0 0 163 -3,-2.1 4,-1.5 1,-0.1 3,-1.3 0.851 44.2 173.6 43.6 50.8 57.0 6.3 27.5 115 115 A F H 3> - 0 0 0 258,-0.2 4,-2.2 1,-0.1 5,-0.3 -0.341 63.9-118.1 -66.5 155.0 45.3 14.0 27.6 131 144 A Q H > S+ 0 0 87 256,-0.4 4,-2.6 1,-0.2 5,-0.3 0.878 115.5 56.0 -63.0 -34.1 43.0 14.8 24.7 132 145 A A H > S+ 0 0 2 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.946 108.7 46.0 -62.2 -48.2 40.4 12.4 26.2 133 146 A Q H > S+ 0 0 1 1,-0.2 4,-1.9 2,-0.2 -2,-0.2 0.936 117.9 40.6 -61.0 -49.6 40.4 14.2 29.5 134 147 A M H X S+ 0 0 0 -4,-2.2 4,-2.3 2,-0.2 -2,-0.2 0.891 112.7 53.0 -71.1 -38.4 40.1 17.7 28.1 135 148 A Q H < S+ 0 0 68 -4,-2.6 4,-0.4 -5,-0.3 -1,-0.2 0.913 110.2 50.0 -63.3 -38.2 37.6 16.9 25.4 136 149 A A H >< S+ 0 0 1 -4,-2.0 3,-0.9 -5,-0.3 6,-0.3 0.933 110.6 50.5 -63.4 -43.7 35.4 15.3 28.0 137 150 A R H 3< S+ 0 0 12 -4,-1.9 -2,-0.2 1,-0.2 -1,-0.2 0.854 117.5 37.3 -63.3 -37.6 35.7 18.4 30.2 138 151 A Q T 3< S+ 0 0 5 -4,-2.3 260,-0.2 -5,-0.1 -1,-0.2 0.262 91.4 125.4 -99.4 12.8 34.7 20.8 27.3 139 152 A S S <> S- 0 0 13 -3,-0.9 4,-2.2 -4,-0.4 5,-0.1 -0.265 70.5-122.8 -69.6 156.5 32.1 18.5 25.7 140 153 A E H > S+ 0 0 96 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.878 113.0 57.1 -65.7 -35.9 28.6 19.7 25.1 141 154 A E H > S+ 0 0 58 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.908 108.1 44.3 -62.4 -44.1 27.4 16.7 27.2 142 155 A M H > S+ 0 0 0 -6,-0.3 4,-2.8 2,-0.2 5,-0.2 0.927 112.6 52.7 -67.8 -41.5 29.4 17.8 30.3 143 156 A A H X S+ 0 0 21 -4,-2.2 4,-2.2 1,-0.2 -2,-0.2 0.917 109.4 49.3 -59.6 -43.2 28.3 21.4 29.9 144 157 A N H X S+ 0 0 49 -4,-2.5 4,-2.3 1,-0.2 -1,-0.2 0.912 112.6 47.1 -63.1 -43.4 24.7 20.4 29.8 145 158 A A H X S+ 0 0 0 -4,-2.0 4,-2.6 1,-0.2 5,-0.2 0.912 111.9 49.6 -65.8 -42.7 25.0 18.2 32.9 146 159 A Q H X S+ 0 0 17 -4,-2.8 4,-2.7 2,-0.2 -1,-0.2 0.894 111.3 49.4 -64.6 -38.4 26.8 20.9 34.8 147 160 A S H X S+ 0 0 28 -4,-2.2 4,-1.9 -5,-0.2 -2,-0.2 0.943 112.1 48.5 -64.6 -47.7 24.2 23.6 33.9 148 161 A F H < S+ 0 0 32 -4,-2.3 4,-0.2 -5,-0.2 -2,-0.2 0.934 115.0 44.3 -56.9 -50.4 21.4 21.3 35.0 149 162 A L H >< S+ 0 0 0 -4,-2.6 3,-1.6 1,-0.2 4,-0.3 0.918 111.9 51.3 -63.9 -45.0 23.1 20.4 38.3 150 163 A N H >< S+ 0 0 0 -4,-2.7 3,-1.3 15,-0.3 -1,-0.2 0.821 102.7 61.6 -63.0 -30.4 24.1 24.0 39.1 151 164 A R T 3< S+ 0 0 124 -4,-1.9 -1,-0.3 1,-0.3 -2,-0.2 0.507 85.8 73.5 -76.6 -1.8 20.5 25.2 38.5 152 165 A L T < S+ 0 0 13 -3,-1.6 -1,-0.3 -4,-0.2 2,-0.2 0.657 89.1 81.1 -80.2 -16.0 19.2 23.0 41.3 153 166 A W S < S- 0 0 6 -3,-1.3 2,-1.2 -4,-0.3 70,-0.2 -0.526 89.6-120.9 -87.3 154.9 20.8 25.6 43.6 154 167 A T B +h 223 0B 55 68,-3.0 70,-2.3 -2,-0.2 71,-0.4 -0.840 45.7 161.7 -94.0 95.8 19.3 28.9 44.5 155 168 A F + 0 0 25 -2,-1.2 7,-2.9 68,-0.1 2,-0.5 0.519 56.1 65.1 -95.4 -9.0 22.1 31.0 43.1 156 169 A E E +I 161 0C 116 5,-0.2 2,-0.3 -3,-0.1 5,-0.2 -0.974 62.4 150.5-117.5 120.4 20.1 34.2 43.0 157 170 A S E > +I 160 0C 17 3,-2.4 3,-0.5 -2,-0.5 -3,-0.0 -0.977 60.8 2.9-152.3 137.2 19.0 35.7 46.3 158 171 A D T 3 S- 0 0 165 -2,-0.3 -1,-0.1 1,-0.2 3,-0.1 0.931 129.1 -53.2 54.2 52.5 18.3 39.3 47.5 159 172 A G T 3 S+ 0 0 91 1,-0.1 2,-0.4 -3,-0.1 -1,-0.2 0.780 117.6 107.9 56.9 29.8 19.0 40.9 44.1 160 173 A K E < -I 157 0C 97 -3,-0.5 -3,-2.4 0, 0.0 2,-0.7 -0.991 59.1-147.7-141.7 132.1 22.4 39.2 43.8 161 174 A Q E -I 156 0C 91 -2,-0.4 -5,-0.2 -5,-0.2 3,-0.1 -0.868 9.7-169.0-100.0 113.0 23.7 36.3 41.6 162 175 A W - 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