==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=29-APR-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER PROTEIN BINDING 28-DEC-10 3Q5M . COMPND 2 MOLECULE: UPF0169 LIPOPROTEIN YFIO; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR C.DONG,H.HOU,X.YANG,Y.DONG,Y.SHEN . 210 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11968.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 165 78.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 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 . 6 2.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 19 9.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 136 64.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 1.9 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 0 0 0 0 0 0 0 0 0 2 4 0 3 0 0 0 0 0 0 0 0 0 0 0 1 0 0 RESIDUES PER ALPHA HELIX . 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 0 PARALLEL BRIDGES PER LADDER . 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 0 ANTIPARALLEL BRIDGES PER LADDER . 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 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 A 0 0 66 0, 0.0 28,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 163.9 43.6 21.4 13.3 2 1 A S - 0 0 87 4,-0.1 4,-0.0 2,-0.1 31,-0.0 -0.854 360.0 -13.5-127.3 32.7 46.0 21.3 14.9 3 2 A K S S- 0 0 137 29,-0.1 -1,-0.0 26,-0.0 26,-0.0 0.513 109.4 -55.0-164.6 -14.5 45.8 22.5 18.5 4 3 A E S S+ 0 0 78 31,-0.0 -2,-0.1 35,-0.0 29,-0.0 0.479 116.3 99.5 101.1 25.3 42.7 24.5 19.5 5 4 A E + 0 0 113 2,-0.0 3,-0.1 3,-0.0 0, 0.0 -0.340 52.8 141.5-116.1 32.6 43.5 26.8 16.7 6 5 A V - 0 0 3 1,-0.1 -4,-0.1 26,-0.1 8,-0.0 -0.538 67.6 -78.3 -69.9 146.7 40.8 24.7 15.0 7 6 A P - 0 0 72 0, 0.0 2,-2.2 0, 0.0 -1,-0.1 -0.037 44.4-104.2 -55.9 150.7 38.7 27.1 12.8 8 7 A D + 0 0 136 -3,-0.1 -2,-0.0 6,-0.0 -3,-0.0 -0.496 66.7 145.2 -75.2 74.8 36.1 29.3 14.5 9 8 A N - 0 0 55 -2,-2.2 -3,-0.0 1,-0.1 5,-0.0 -0.714 56.0 -92.0-103.9 161.1 33.0 27.3 13.4 10 9 A P >> - 0 0 60 0, 0.0 4,-1.5 0, 0.0 3,-1.1 -0.317 46.7 -99.1 -68.1 165.5 29.8 26.8 15.4 11 10 A P H 3> S+ 0 0 25 0, 0.0 4,-3.3 0, 0.0 5,-0.3 0.879 116.7 56.9 -54.3 -55.7 29.7 23.7 17.6 12 11 A N H 3> S+ 0 0 84 1,-0.2 4,-1.1 2,-0.2 5,-0.0 0.701 109.0 50.2 -53.3 -23.2 27.6 21.3 15.4 13 12 A E H <> S+ 0 0 88 -3,-1.1 4,-1.7 2,-0.2 -1,-0.2 0.923 111.9 43.6 -82.0 -51.3 30.2 21.7 12.7 14 13 A I H X S+ 0 0 3 -4,-1.5 4,-2.2 1,-0.2 -2,-0.2 0.889 113.2 54.1 -60.4 -41.2 33.3 21.0 14.8 15 14 A Y H X S+ 0 0 35 -4,-3.3 4,-2.7 1,-0.2 -1,-0.2 0.916 104.6 55.0 -57.4 -43.1 31.4 18.1 16.4 16 15 A A H X S+ 0 0 58 -4,-1.1 4,-1.8 -5,-0.3 -2,-0.2 0.872 108.0 48.5 -58.9 -40.4 30.8 16.8 12.9 17 16 A T H X S+ 0 0 54 -4,-1.7 4,-2.8 2,-0.2 -1,-0.2 0.885 110.4 51.5 -64.6 -41.7 34.5 16.8 12.2 18 17 A A H X S+ 0 0 0 -4,-2.2 4,-2.0 2,-0.2 -2,-0.2 0.910 106.6 53.6 -63.2 -43.5 35.2 15.0 15.5 19 18 A Q H X S+ 0 0 56 -4,-2.7 4,-2.1 2,-0.2 -1,-0.2 0.930 110.7 48.1 -54.1 -47.3 32.6 12.4 14.6 20 19 A Q H X S+ 0 0 88 -4,-1.8 4,-2.1 1,-0.2 3,-0.4 0.973 110.3 49.2 -55.2 -60.6 34.5 11.8 11.4 21 20 A K H <>S+ 0 0 39 -4,-2.8 5,-1.8 1,-0.3 9,-0.3 0.780 111.2 52.3 -54.7 -29.6 38.0 11.6 13.0 22 21 A L H ><5S+ 0 0 20 -4,-2.0 3,-1.0 -5,-0.2 -1,-0.3 0.891 109.0 47.7 -72.9 -41.0 36.5 9.1 15.5 23 22 A Q H 3<5S+ 0 0 135 -4,-2.1 -2,-0.2 -3,-0.4 -1,-0.2 0.797 108.3 56.0 -70.8 -26.3 35.2 6.9 12.8 24 23 A D T 3<5S- 0 0 100 -4,-2.1 -1,-0.3 -5,-0.2 -2,-0.2 0.467 115.3-117.7 -80.9 -4.0 38.5 7.1 10.9 25 24 A G T < 5 + 0 0 34 -3,-1.0 2,-1.7 -5,-0.2 3,-0.2 0.572 68.5 143.9 76.5 9.5 40.2 5.8 14.1 26 25 A N >< + 0 0 49 -5,-1.8 4,-2.2 -6,-0.2 3,-0.2 -0.533 17.0 167.7 -85.6 77.9 42.1 9.1 14.3 27 26 A W H > + 0 0 57 -2,-1.7 4,-2.3 1,-0.2 -1,-0.2 0.880 68.7 53.3 -63.9 -45.3 42.2 9.5 18.0 28 27 A R H > S+ 0 0 181 1,-0.2 4,-1.2 2,-0.2 -1,-0.2 0.877 113.6 42.9 -60.3 -39.3 44.8 12.2 18.3 29 28 A Q H > S+ 0 0 87 -3,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.828 110.6 56.1 -77.5 -33.2 42.9 14.5 15.8 30 29 A A H X S+ 0 0 0 -4,-2.2 4,-2.7 -9,-0.3 5,-0.2 0.927 104.5 54.1 -60.9 -42.3 39.6 13.7 17.4 31 30 A I H X S+ 0 0 15 -4,-2.3 4,-1.9 1,-0.2 5,-0.2 0.853 104.6 54.5 -63.2 -35.8 41.0 14.9 20.8 32 31 A T H X S+ 0 0 25 -4,-1.2 4,-1.9 2,-0.2 -1,-0.2 0.950 111.6 44.7 -58.6 -48.4 42.0 18.2 19.2 33 32 A Q H X S+ 0 0 11 -4,-1.8 4,-2.1 1,-0.2 -2,-0.2 0.970 114.5 47.0 -61.4 -53.9 38.4 18.7 18.0 34 33 A L H X S+ 0 0 0 -4,-2.7 4,-3.0 1,-0.2 -1,-0.2 0.770 110.6 51.5 -62.9 -30.6 36.7 17.7 21.2 35 34 A E H X S+ 0 0 54 -4,-1.9 4,-3.4 -5,-0.2 5,-0.3 0.897 106.0 55.0 -74.3 -37.5 38.9 19.8 23.4 36 35 A A H X S+ 0 0 0 -4,-1.9 4,-2.9 -5,-0.2 5,-0.4 0.924 112.5 44.9 -58.0 -43.2 38.2 22.8 21.3 37 36 A L H X S+ 0 0 8 -4,-2.1 4,-3.0 2,-0.2 -2,-0.2 0.985 112.5 49.6 -58.7 -59.7 34.6 22.1 22.0 38 37 A D H < S+ 0 0 59 -4,-3.0 -2,-0.2 1,-0.2 -1,-0.2 0.886 118.9 39.9 -47.3 -45.0 35.2 21.5 25.7 39 38 A N H < S+ 0 0 117 -4,-3.4 -1,-0.2 2,-0.1 -2,-0.2 0.891 124.1 34.8 -77.2 -40.6 37.1 24.8 25.9 40 39 A R H < S+ 0 0 77 -4,-2.9 -3,-0.2 -5,-0.3 -2,-0.2 0.881 131.2 26.4 -79.1 -42.4 35.0 27.1 23.6 41 40 A Y >< + 0 0 71 -4,-3.0 3,-2.0 -5,-0.4 -1,-0.2 -0.582 65.5 163.4-127.3 68.4 31.5 25.7 24.4 42 41 A P T 3 S+ 0 0 62 0, 0.0 -1,-0.1 0, 0.0 -4,-0.1 0.631 86.7 34.2 -65.3 -17.1 31.6 24.2 27.9 43 42 A F T 3 S+ 0 0 186 -3,-0.1 4,-0.1 4,-0.0 5,-0.1 0.114 93.5 145.9-120.9 16.8 27.8 24.2 28.1 44 43 A G X - 0 0 21 -3,-2.0 3,-0.6 -7,-0.2 4,-0.2 0.339 66.9 -97.5 -44.2-179.5 27.3 23.5 24.4 45 44 A P T 3 S+ 0 0 98 0, 0.0 -1,-0.1 0, 0.0 4,-0.1 0.622 127.6 32.9 -83.1 -13.4 24.4 21.4 23.0 46 45 A Y T 3> S+ 0 0 88 -5,-0.2 4,-3.3 2,-0.1 5,-0.2 0.020 83.6 122.5-120.3 19.2 26.6 18.3 22.8 47 46 A S H <> S+ 0 0 36 -3,-0.6 4,-1.1 1,-0.2 -3,-0.1 0.834 78.0 40.9 -62.5 -35.9 28.7 19.2 25.8 48 47 A Q H > S+ 0 0 84 -4,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.877 115.4 51.1 -74.6 -40.9 27.9 16.0 27.7 49 48 A Q H > S+ 0 0 70 1,-0.2 4,-2.5 2,-0.2 -2,-0.2 0.882 104.6 58.1 -64.5 -39.8 28.3 13.9 24.6 50 49 A V H X S+ 0 0 3 -4,-3.3 4,-3.2 2,-0.2 -1,-0.2 0.925 105.9 49.6 -52.1 -47.8 31.6 15.5 23.9 51 50 A Q H X S+ 0 0 22 -4,-1.1 4,-2.4 2,-0.2 -2,-0.2 0.928 108.7 51.3 -61.0 -47.1 32.8 14.3 27.3 52 51 A L H X S+ 0 0 7 -4,-2.1 4,-1.5 1,-0.2 -1,-0.2 0.899 114.1 45.8 -54.2 -39.6 31.6 10.8 26.6 53 52 A D H X S+ 0 0 19 -4,-2.5 4,-2.9 1,-0.2 -2,-0.2 0.919 110.0 52.5 -70.8 -41.5 33.5 11.0 23.4 54 53 A L H X S+ 0 0 0 -4,-3.2 4,-2.4 1,-0.2 5,-0.3 0.837 105.8 55.4 -63.5 -31.3 36.6 12.4 25.1 55 54 A I H X S+ 0 0 0 -4,-2.4 4,-1.7 -5,-0.2 -1,-0.2 0.932 111.9 44.0 -66.9 -42.8 36.6 9.5 27.5 56 55 A Y H X S+ 0 0 91 -4,-1.5 4,-3.0 -5,-0.2 5,-0.3 0.981 115.6 45.3 -61.1 -59.4 36.6 7.2 24.5 57 56 A A H X S+ 0 0 0 -4,-2.9 4,-2.1 1,-0.2 6,-0.2 0.917 112.1 51.2 -53.2 -51.6 39.3 9.0 22.5 58 57 A Y H <>S+ 0 0 8 -4,-2.4 5,-3.1 1,-0.2 -1,-0.2 0.922 112.7 47.6 -53.7 -48.5 41.6 9.5 25.5 59 58 A Y H ><5S+ 0 0 58 -4,-1.7 3,-2.8 -5,-0.3 -2,-0.2 0.972 110.7 49.5 -56.7 -56.0 41.4 5.8 26.3 60 59 A K H 3<5S+ 0 0 90 -4,-3.0 -1,-0.2 1,-0.3 -2,-0.2 0.793 112.4 49.3 -56.8 -27.7 42.1 4.7 22.6 61 60 A N T 3<5S- 0 0 36 -4,-2.1 -1,-0.3 -5,-0.3 -2,-0.2 0.408 117.7-117.3 -88.7 3.7 45.1 7.0 22.6 62 61 A A T < 5 + 0 0 73 -3,-2.8 2,-1.2 1,-0.2 -3,-0.2 0.792 68.7 141.3 58.8 31.4 46.2 5.5 25.9 63 62 A D >< + 0 0 53 -5,-3.1 4,-2.1 -6,-0.2 -1,-0.2 -0.645 21.7 164.0 -89.5 73.7 46.0 8.8 27.8 64 63 A L H > + 0 0 22 -2,-1.2 4,-3.2 2,-0.2 5,-0.3 0.928 66.2 50.9 -66.4 -46.0 44.7 6.9 30.8 65 64 A P H > S+ 0 0 89 0, 0.0 4,-2.9 0, 0.0 -1,-0.2 0.958 113.1 49.2 -56.5 -45.9 45.1 9.5 33.5 66 65 A L H > S+ 0 0 78 2,-0.2 4,-2.0 1,-0.2 -2,-0.2 0.877 110.7 51.3 -56.4 -39.1 43.3 11.9 31.2 67 66 A A H X S+ 0 0 0 -4,-2.1 4,-2.6 2,-0.2 -1,-0.2 0.978 111.7 44.0 -64.9 -51.9 40.5 9.3 30.7 68 67 A Q H X S+ 0 0 50 -4,-3.2 4,-3.0 1,-0.2 5,-0.3 0.925 110.5 57.5 -62.5 -38.1 40.0 8.7 34.4 69 68 A A H X S+ 0 0 49 -4,-2.9 4,-2.1 -5,-0.3 -1,-0.2 0.926 111.3 41.5 -50.4 -49.6 40.1 12.4 35.0 70 69 A A H X S+ 0 0 0 -4,-2.0 4,-1.7 1,-0.2 -1,-0.2 0.826 113.4 54.4 -74.1 -31.9 37.2 12.9 32.6 71 70 A I H X S+ 0 0 0 -4,-2.6 4,-2.6 2,-0.2 -2,-0.2 0.942 111.9 42.3 -60.5 -49.4 35.3 9.9 33.9 72 71 A D H X S+ 0 0 60 -4,-3.0 4,-2.1 2,-0.2 -2,-0.2 0.923 112.1 53.1 -71.7 -45.3 35.4 11.0 37.5 73 72 A R H X S+ 0 0 86 -4,-2.1 4,-2.1 -5,-0.3 -1,-0.2 0.933 112.7 47.6 -42.7 -51.7 34.5 14.6 36.7 74 73 A F H X S+ 0 0 5 -4,-1.7 4,-2.6 1,-0.2 -2,-0.2 0.937 108.9 50.7 -64.1 -49.0 31.6 13.3 34.7 75 74 A I H < S+ 0 0 48 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.836 111.7 50.2 -60.9 -31.3 30.3 10.9 37.4 76 75 A R H < S+ 0 0 174 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.894 117.3 37.4 -75.0 -39.3 30.4 13.8 39.9 77 76 A L H < S+ 0 0 107 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.769 128.6 31.2 -81.1 -27.8 28.5 16.3 37.8 78 77 A N >< + 0 0 30 -4,-2.6 3,-2.0 -5,-0.2 -1,-0.2 -0.393 63.2 160.6-133.0 56.5 26.0 13.8 36.2 79 78 A P T 3 S+ 0 0 79 0, 0.0 -1,-0.1 0, 0.0 -4,-0.1 0.642 82.6 34.9 -61.5 -14.8 25.3 11.0 38.7 80 79 A T T 3 S+ 0 0 130 -3,-0.1 -5,-0.1 4,-0.0 4,-0.0 0.183 79.5 143.0-125.2 14.9 22.1 10.0 37.0 81 80 A H X - 0 0 26 -3,-2.0 3,-2.0 1,-0.1 4,-0.2 -0.240 62.1-116.9 -54.7 144.0 22.9 10.7 33.3 82 81 A P T 3 S+ 0 0 109 0, 0.0 3,-0.2 0, 0.0 -1,-0.1 0.629 115.2 48.5 -62.8 -12.3 21.3 8.0 31.0 83 82 A N T >> S+ 0 0 60 1,-0.1 4,-1.7 2,-0.1 3,-0.5 0.052 72.0 115.0-111.6 22.4 24.7 6.9 29.9 84 83 A I H <> S+ 0 0 4 -3,-2.0 4,-2.2 1,-0.2 5,-0.1 0.878 73.6 59.8 -61.5 -34.4 26.2 6.6 33.4 85 84 A D H 3> S+ 0 0 22 -4,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.859 101.3 52.3 -60.2 -39.3 26.5 2.9 32.7 86 85 A Y H <> S+ 0 0 28 -3,-0.5 4,-2.4 1,-0.2 -1,-0.2 0.932 109.8 51.3 -60.8 -42.5 28.8 3.5 29.7 87 86 A V H X S+ 0 0 0 -4,-1.7 4,-1.7 2,-0.2 -2,-0.2 0.880 108.3 49.0 -64.7 -40.5 30.9 5.6 32.0 88 87 A M H X S+ 0 0 35 -4,-2.2 4,-2.5 2,-0.2 3,-0.5 0.972 109.9 52.4 -63.3 -51.0 31.2 3.0 34.7 89 88 A Y H X S+ 0 0 30 -4,-2.3 4,-2.4 1,-0.3 -2,-0.2 0.906 109.0 49.7 -48.7 -48.3 32.2 0.4 32.1 90 89 A M H X S+ 0 0 7 -4,-2.4 4,-2.3 1,-0.2 -1,-0.3 0.829 106.6 56.5 -65.3 -28.4 34.9 2.8 30.9 91 90 A R H X S+ 0 0 60 -4,-1.7 4,-1.8 -3,-0.5 -2,-0.2 0.943 107.8 48.4 -64.5 -44.8 36.1 3.2 34.5 92 91 A G H X S+ 0 0 0 -4,-2.5 4,-2.5 1,-0.2 3,-0.3 0.960 112.6 47.3 -54.3 -53.5 36.5 -0.5 34.7 93 92 A L H X S+ 0 0 18 -4,-2.4 4,-2.8 1,-0.2 -1,-0.2 0.886 109.2 53.4 -60.9 -41.0 38.4 -0.7 31.4 94 93 A T H X S+ 0 0 0 -4,-2.3 4,-1.7 2,-0.2 -1,-0.2 0.869 109.6 47.5 -64.7 -37.3 40.7 2.1 32.3 95 94 A N H X S+ 0 0 6 -4,-1.8 4,-2.1 -3,-0.3 -1,-0.2 0.864 112.8 49.1 -72.7 -36.7 41.7 0.5 35.6 96 95 A M H X S+ 0 0 32 -4,-2.5 4,-0.9 2,-0.2 -2,-0.2 0.895 109.7 52.9 -60.4 -40.2 42.3 -2.8 33.8 97 96 A A H < S+ 0 0 29 -4,-2.8 -2,-0.2 -5,-0.2 -1,-0.2 0.877 112.6 44.8 -64.1 -36.0 44.4 -0.8 31.2 98 97 A L H >< S+ 0 0 33 -4,-1.7 3,-1.5 1,-0.2 -1,-0.2 0.814 106.3 57.9 -75.6 -37.1 46.4 0.6 34.1 99 98 A D H 3< S+ 0 0 39 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.711 101.1 61.4 -61.4 -21.2 46.8 -2.7 35.9 100 99 A D T 3< 0 0 138 -4,-0.9 -1,-0.3 1,-0.2 -2,-0.2 0.389 360.0 360.0 -90.4 2.5 48.4 -3.9 32.6 101 100 A S < 0 0 124 -3,-1.5 -1,-0.2 0, 0.0 -2,-0.2 0.183 360.0 360.0-141.9 360.0 51.2 -1.4 32.8 102 ! 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 0.0 103 113 A R 0 0 243 0, 0.0 42,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 4.7 52.7 -7.2 42.5 104 114 A D - 0 0 80 1,-0.1 2,-1.4 2,-0.1 3,-0.2 -0.304 360.0-149.9 -59.6 116.7 49.9 -5.7 44.5 105 115 A P > + 0 0 4 0, 0.0 4,-2.0 0, 0.0 3,-0.2 -0.561 35.5 155.2 -97.6 69.3 47.1 -5.0 41.9 106 116 A Q H > S+ 0 0 118 -2,-1.4 4,-2.0 1,-0.2 5,-0.1 0.773 76.9 56.8 -63.5 -28.4 45.3 -1.9 43.2 107 117 A H H > S+ 0 0 61 2,-0.2 4,-2.2 -3,-0.2 -1,-0.2 0.851 107.3 46.5 -75.0 -34.9 44.2 -1.1 39.7 108 118 A A H > S+ 0 0 0 2,-0.2 4,-2.5 1,-0.2 -2,-0.2 0.853 111.1 53.4 -71.1 -35.4 42.6 -4.5 39.2 109 119 A R H X S+ 0 0 78 -4,-2.0 4,-2.5 2,-0.2 -2,-0.2 0.914 109.4 48.7 -61.9 -41.1 41.0 -4.0 42.6 110 120 A A H X S+ 0 0 27 -4,-2.0 4,-2.2 2,-0.2 -2,-0.2 0.944 111.4 49.1 -62.9 -48.0 39.6 -0.7 41.4 111 121 A A H X S+ 0 0 0 -4,-2.2 4,-2.9 1,-0.2 5,-0.3 0.907 110.1 51.2 -58.4 -45.8 38.3 -2.3 38.2 112 122 A F H X S+ 0 0 34 -4,-2.5 4,-1.7 1,-0.2 -1,-0.2 0.936 110.0 49.4 -57.9 -45.6 36.7 -5.1 40.1 113 123 A S H X S+ 0 0 45 -4,-2.5 4,-1.8 1,-0.2 -1,-0.2 0.879 112.7 49.7 -63.4 -33.5 35.0 -2.5 42.3 114 124 A D H X S+ 0 0 8 -4,-2.2 4,-2.3 2,-0.2 -2,-0.2 0.948 110.2 45.7 -70.6 -52.0 33.8 -0.7 39.2 115 125 A F H X S+ 0 0 0 -4,-2.9 4,-2.3 1,-0.2 -1,-0.2 0.773 110.9 56.7 -65.6 -23.9 32.3 -3.5 37.2 116 126 A S H X S+ 0 0 42 -4,-1.7 4,-2.9 -5,-0.3 5,-0.4 0.944 106.9 47.3 -71.0 -45.1 30.6 -4.7 40.4 117 127 A K H X S+ 0 0 125 -4,-1.8 4,-2.9 2,-0.2 5,-0.3 0.931 114.6 47.8 -56.8 -48.6 28.9 -1.3 40.8 118 128 A L H X S+ 0 0 0 -4,-2.3 4,-3.1 2,-0.2 -2,-0.2 0.978 115.1 44.1 -54.3 -61.0 27.8 -1.4 37.1 119 129 A V H < S+ 0 0 37 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.925 120.5 38.6 -55.2 -54.3 26.5 -4.9 37.3 120 130 A R H < S+ 0 0 224 -4,-2.9 -1,-0.2 -5,-0.2 -2,-0.2 0.935 122.5 42.9 -63.7 -44.7 24.7 -4.6 40.6 121 131 A G H < S+ 0 0 45 -4,-2.9 -2,-0.2 -5,-0.4 -1,-0.2 0.742 127.1 25.0 -77.1 -27.6 23.4 -1.1 39.9 122 132 A Y >< + 0 0 79 -4,-3.1 3,-1.9 -5,-0.3 -1,-0.2 -0.507 63.8 166.1-139.4 69.2 22.3 -1.4 36.3 123 133 A P T 3 S+ 0 0 81 0, 0.0 -1,-0.1 0, 0.0 -4,-0.1 0.592 78.0 54.6 -61.9 -14.4 21.5 -5.1 35.6 124 134 A N T 3 S+ 0 0 159 -3,-0.1 -5,-0.1 4,-0.1 -3,-0.0 0.369 80.2 123.6-101.7 4.8 19.8 -4.1 32.3 125 135 A S S X S- 0 0 17 -3,-1.9 3,-0.6 -7,-0.2 4,-0.5 -0.198 70.9-123.4 -65.4 154.0 22.7 -2.2 30.7 126 136 A Q T 3 S+ 0 0 161 1,-0.2 4,-0.4 2,-0.1 3,-0.3 0.767 114.9 53.1 -59.4 -24.8 24.2 -3.1 27.2 127 137 A Y T 3> S+ 0 0 54 1,-0.2 4,-2.4 2,-0.1 -1,-0.2 0.636 81.2 86.7 -92.3 -17.3 27.4 -3.3 29.1 128 138 A T H <> S+ 0 0 20 -3,-0.6 4,-2.7 -6,-0.2 5,-0.2 0.880 86.4 56.0 -51.3 -43.5 26.4 -5.7 31.9 129 139 A T H > S+ 0 0 113 -4,-0.5 4,-1.7 -3,-0.3 -1,-0.2 0.925 113.3 36.1 -60.5 -51.2 27.2 -8.8 29.8 130 140 A D H > S+ 0 0 49 -4,-0.4 4,-1.3 1,-0.2 -1,-0.2 0.783 115.0 58.5 -75.4 -26.1 30.8 -8.0 29.0 131 141 A A H X S+ 0 0 0 -4,-2.4 4,-2.1 2,-0.2 -2,-0.2 0.925 106.8 46.2 -66.6 -43.5 31.4 -6.4 32.4 132 142 A T H X S+ 0 0 57 -4,-2.7 4,-2.4 1,-0.2 -2,-0.2 0.899 107.7 56.6 -69.1 -36.0 30.4 -9.7 34.2 133 143 A K H X S+ 0 0 121 -4,-1.7 4,-1.2 -5,-0.2 -1,-0.2 0.867 111.0 46.2 -58.3 -34.3 32.6 -11.7 31.8 134 144 A R H X S+ 0 0 61 -4,-1.3 4,-3.0 2,-0.2 -2,-0.2 0.845 104.8 58.6 -76.2 -37.3 35.4 -9.5 33.0 135 145 A L H X S+ 0 0 21 -4,-2.1 4,-4.1 1,-0.2 5,-0.3 0.950 103.6 54.3 -55.3 -48.2 34.5 -9.7 36.7 136 146 A V H X S+ 0 0 91 -4,-2.4 4,-1.6 1,-0.2 -1,-0.2 0.911 110.3 46.2 -50.5 -46.4 35.0 -13.5 36.3 137 147 A F H X S+ 0 0 111 -4,-1.2 4,-1.4 2,-0.2 -1,-0.2 0.924 117.4 43.2 -62.3 -46.4 38.5 -12.8 34.9 138 148 A L H X S+ 0 0 0 -4,-3.0 4,-2.9 2,-0.2 5,-0.4 0.901 107.2 58.4 -66.2 -48.2 39.3 -10.3 37.7 139 149 A K H X S+ 0 0 48 -4,-4.1 4,-2.8 1,-0.2 5,-0.2 0.940 110.2 46.3 -43.1 -53.2 37.8 -12.4 40.5 140 150 A D H X S+ 0 0 60 -4,-1.6 4,-1.7 -5,-0.3 -1,-0.2 0.835 113.6 44.6 -65.6 -39.4 40.2 -15.1 39.6 141 151 A R H X S+ 0 0 81 -4,-1.4 4,-1.4 2,-0.2 -1,-0.2 0.874 115.6 48.0 -74.0 -37.0 43.4 -13.0 39.3 142 152 A L H X S+ 0 0 0 -4,-2.9 4,-2.2 2,-0.2 -2,-0.2 0.934 113.4 48.4 -66.9 -47.4 42.6 -11.1 42.5 143 153 A A H X S+ 0 0 0 -4,-2.8 4,-2.7 -5,-0.4 -2,-0.2 0.859 107.7 54.8 -60.3 -37.8 41.9 -14.4 44.3 144 154 A K H X S+ 0 0 143 -4,-1.7 4,-1.4 1,-0.2 -1,-0.2 0.855 108.4 49.8 -67.2 -31.1 45.1 -15.9 43.0 145 155 A Y H X S+ 0 0 47 -4,-1.4 4,-1.6 -3,-0.2 -2,-0.2 0.921 111.4 47.3 -72.1 -44.1 47.1 -13.0 44.4 146 156 A E H X S+ 0 0 19 -4,-2.2 4,-2.6 1,-0.2 3,-0.4 0.948 110.1 53.6 -58.7 -51.0 45.4 -13.3 47.8 147 157 A Y H X S+ 0 0 65 -4,-2.7 4,-2.0 1,-0.2 -1,-0.2 0.839 105.9 52.9 -52.6 -38.1 46.0 -17.1 47.9 148 158 A S H X S+ 0 0 54 -4,-1.4 4,-1.7 2,-0.2 -1,-0.2 0.859 108.8 49.1 -74.8 -31.0 49.7 -16.5 47.2 149 159 A V H X S+ 0 0 19 -4,-1.6 4,-2.1 -3,-0.4 -2,-0.2 0.876 111.8 49.7 -65.3 -40.3 49.9 -14.1 50.2 150 160 A A H X S+ 0 0 0 -4,-2.6 4,-1.7 1,-0.2 -2,-0.2 0.874 110.1 51.5 -64.5 -33.1 48.1 -16.8 52.2 151 161 A E H X S+ 0 0 85 -4,-2.0 4,-2.1 -5,-0.2 -2,-0.2 0.875 108.0 52.0 -72.0 -37.7 50.7 -19.3 51.0 152 162 A Y H X S+ 0 0 122 -4,-1.7 4,-1.3 2,-0.2 -2,-0.2 0.950 109.3 48.1 -62.0 -51.4 53.5 -17.0 52.0 153 163 A Y H <>S+ 0 0 65 -4,-2.1 5,-2.2 1,-0.2 -1,-0.2 0.810 108.3 54.9 -63.3 -36.0 52.2 -16.6 55.6 154 164 A T H ><5S+ 0 0 34 -4,-1.7 3,-2.1 1,-0.2 -1,-0.2 0.957 104.8 54.7 -56.2 -53.1 51.8 -20.3 55.9 155 165 A E H 3<5S+ 0 0 135 -4,-2.1 -2,-0.2 1,-0.3 -1,-0.2 0.819 113.5 41.8 -46.5 -37.5 55.4 -20.7 54.9 156 166 A R T 3<5S- 0 0 173 -4,-1.3 -1,-0.3 -5,-0.1 -2,-0.2 0.313 111.9-119.0 -98.8 7.3 56.3 -18.3 57.8 157 167 A G T < 5 + 0 0 24 -3,-2.1 2,-2.4 1,-0.2 -3,-0.2 0.651 60.7 150.8 66.1 15.2 53.9 -19.9 60.2 158 168 A A >< + 0 0 36 -5,-2.2 4,-2.1 1,-0.2 3,-0.4 -0.456 17.6 173.4 -76.8 71.1 52.0 -16.6 60.6 159 169 A W H > S+ 0 0 65 -2,-2.4 4,-2.1 1,-0.3 -1,-0.2 0.872 70.1 49.2 -56.3 -45.3 48.8 -18.5 61.3 160 170 A V H > S+ 0 0 87 1,-0.2 4,-2.7 2,-0.2 -1,-0.3 0.891 108.5 53.9 -65.7 -36.4 46.7 -15.6 62.2 161 171 A A H > S+ 0 0 27 -3,-0.4 4,-2.5 2,-0.2 -1,-0.2 0.907 107.2 53.8 -61.6 -39.3 47.7 -13.7 59.1 162 172 A V H X S+ 0 0 0 -4,-2.1 4,-2.3 2,-0.2 5,-0.2 0.957 108.6 47.1 -56.5 -54.7 46.6 -16.8 57.1 163 173 A V H X S+ 0 0 12 -4,-2.1 4,-2.5 1,-0.2 5,-0.2 0.947 112.1 51.1 -53.7 -49.8 43.2 -16.8 58.7 164 174 A N H X S+ 0 0 106 -4,-2.7 4,-1.7 1,-0.2 -1,-0.2 0.897 109.3 49.9 -57.8 -43.5 42.8 -13.1 58.0 165 175 A R H X S+ 0 0 76 -4,-2.5 4,-1.8 1,-0.2 -1,-0.2 0.941 112.5 45.9 -58.2 -51.5 43.8 -13.4 54.3 166 176 A V H X S+ 0 0 0 -4,-2.3 4,-3.1 1,-0.2 5,-0.2 0.845 106.5 58.8 -65.8 -34.6 41.3 -16.2 53.7 167 177 A E H X S+ 0 0 89 -4,-2.5 4,-1.6 -5,-0.2 -1,-0.2 0.918 107.3 48.4 -59.4 -41.1 38.5 -14.4 55.5 168 178 A G H X S+ 0 0 11 -4,-1.7 4,-3.2 -5,-0.2 5,-0.5 0.902 111.0 51.0 -61.1 -41.1 39.0 -11.6 53.0 169 179 A M H X S+ 0 0 0 -4,-1.8 4,-2.1 1,-0.2 -2,-0.2 0.929 109.1 50.0 -64.0 -44.6 38.9 -14.2 50.2 170 180 A L H < S+ 0 0 54 -4,-3.1 -1,-0.2 1,-0.2 -2,-0.2 0.817 117.9 41.0 -63.4 -31.4 35.7 -15.7 51.5 171 181 A R H < S+ 0 0 174 -4,-1.6 -2,-0.2 -5,-0.2 -1,-0.2 0.958 127.1 26.6 -81.6 -56.9 34.2 -12.3 51.7 172 182 A D H < S+ 0 0 63 -4,-3.2 -3,-0.2 1,-0.2 -2,-0.2 0.857 134.0 23.6 -79.0 -38.7 35.4 -10.6 48.4 173 183 A Y S < S+ 0 0 6 -4,-2.1 6,-0.3 -5,-0.5 -1,-0.2 -0.341 74.0 151.7-129.7 52.1 36.0 -13.6 46.1 174 184 A P + 0 0 51 0, 0.0 3,-0.1 0, 0.0 4,-0.1 -0.199 62.0 46.4 -66.3 177.3 33.9 -16.5 47.2 175 185 A D S S+ 0 0 78 1,-0.2 2,-0.3 2,-0.1 3,-0.1 0.907 90.0 119.9 57.9 45.0 32.9 -18.9 44.4 176 186 A T S > S- 0 0 4 -3,-0.2 4,-1.7 1,-0.1 -1,-0.2 -0.957 70.5-128.0-139.5 149.9 36.4 -19.0 43.0 177 187 A Q H > S+ 0 0 95 -2,-0.3 4,-1.6 1,-0.2 5,-0.2 0.909 109.4 53.5 -68.3 -39.3 38.9 -21.9 42.6 178 188 A A H > S+ 0 0 10 1,-0.2 4,-0.8 2,-0.2 -1,-0.2 0.832 107.1 51.7 -66.5 -34.3 41.7 -20.1 44.5 179 189 A T H >> S+ 0 0 5 -6,-0.3 4,-1.2 2,-0.2 3,-0.6 0.919 108.5 51.0 -67.2 -43.7 39.4 -19.5 47.4 180 190 A R H 3< S+ 0 0 93 -4,-1.7 -2,-0.2 1,-0.2 -1,-0.2 0.798 111.2 49.0 -62.1 -29.0 38.5 -23.2 47.5 181 191 A D H 3< S+ 0 0 76 -4,-1.6 4,-0.3 1,-0.2 -1,-0.2 0.642 107.3 56.2 -83.1 -17.4 42.2 -24.0 47.4 182 192 A A H XX S+ 0 0 0 -4,-0.8 4,-1.8 -3,-0.6 3,-0.9 0.725 86.6 79.6 -84.4 -24.2 42.8 -21.5 50.3 183 193 A L H 3X S+ 0 0 4 -4,-1.2 4,-2.5 1,-0.3 3,-0.2 0.892 90.1 52.3 -54.3 -45.7 40.4 -23.2 52.6 184 194 A P H 3> S+ 0 0 58 0, 0.0 4,-2.4 0, 0.0 -1,-0.3 0.789 105.5 55.9 -60.8 -29.6 42.9 -26.0 53.6 185 195 A L H <> S+ 0 0 27 -3,-0.9 4,-2.1 -4,-0.3 -2,-0.2 0.875 108.7 47.9 -67.1 -36.8 45.4 -23.3 54.4 186 196 A M H X S+ 0 0 4 -4,-1.8 4,-2.1 2,-0.2 -1,-0.2 0.932 111.3 49.8 -66.8 -44.6 42.8 -21.8 56.8 187 197 A E H X S+ 0 0 41 -4,-2.5 4,-2.3 1,-0.2 -2,-0.2 0.937 112.8 47.2 -60.6 -47.3 42.1 -25.2 58.3 188 198 A N H X S+ 0 0 64 -4,-2.4 4,-2.2 1,-0.2 -1,-0.2 0.895 108.0 54.4 -59.6 -41.7 45.8 -25.8 58.8 189 199 A A H X S+ 0 0 0 -4,-2.1 4,-0.9 1,-0.2 -1,-0.2 0.912 109.6 49.2 -64.1 -39.3 46.4 -22.4 60.4 190 200 A Y H ><>S+ 0 0 27 -4,-2.1 5,-2.0 2,-0.2 3,-1.2 0.955 108.9 50.6 -62.8 -51.0 43.7 -23.1 62.9 191 201 A R H ><5S+ 0 0 75 -4,-2.3 3,-1.3 1,-0.3 -1,-0.2 0.857 107.8 55.5 -54.6 -35.5 45.0 -26.6 63.8 192 202 A Q H 3<5S+ 0 0 89 -4,-2.2 -1,-0.3 1,-0.3 -2,-0.2 0.752 105.9 49.9 -69.3 -26.6 48.4 -24.9 64.3 193 203 A M T <<5S- 0 0 47 -3,-1.2 -1,-0.3 -4,-0.9 -2,-0.2 0.260 118.1-116.7 -92.2 7.7 46.9 -22.5 66.8 194 204 A Q T < 5S+ 0 0 145 -3,-1.3 2,-1.4 1,-0.2 -3,-0.2 0.605 74.7 135.9 67.8 11.3 45.4 -25.5 68.6 195 205 A M >< + 0 0 92 -5,-2.0 4,-1.6 1,-0.2 -1,-0.2 -0.623 18.7 161.4 -91.5 76.6 41.9 -24.2 67.7 196 206 A N H > + 0 0 80 -2,-1.4 4,-2.2 2,-0.2 -1,-0.2 0.783 67.6 60.0 -68.6 -33.9 40.4 -27.5 66.5 197 207 A A H >> S+ 0 0 75 2,-0.2 4,-1.7 -3,-0.2 3,-0.9 0.999 109.5 43.0 -57.4 -61.7 36.8 -26.4 66.9 198 208 A Q H 3> S+ 0 0 78 1,-0.3 4,-1.5 2,-0.2 -2,-0.2 0.865 113.4 54.9 -49.2 -38.1 37.3 -23.6 64.4 199 209 A A H 3X S+ 0 0 0 -4,-1.6 4,-2.1 1,-0.2 -1,-0.3 0.843 104.9 52.1 -67.4 -33.1 39.3 -26.1 62.2 200 210 A E H < S+ 0 0 62 -4,-2.4 3,-1.1 1,-0.2 -2,-0.2 0.888 110.6 53.8 -47.5 -44.9 34.0 -31.6 52.6 208 218 A A H >< S+ 0 0 64 -4,-2.4 3,-0.8 1,-0.3 -1,-0.2 0.921 111.2 40.0 -63.5 -51.3 30.8 -29.9 51.3 209 219 A N T 3< S+ 0 0 79 -4,-1.9 -1,-0.3 1,-0.3 -2,-0.2 0.162 102.5 75.9 -87.3 22.0 32.1 -28.3 48.1 210 220 A S T < 0 0 93 -3,-1.1 -1,-0.3 -4,-0.1 -2,-0.2 -0.026 360.0 360.0-112.4 22.6 34.1 -31.4 47.6 211 221 A S < 0 0 141 -3,-0.8 -3,-0.0 0, 0.0 0, 0.0 -0.894 360.0 360.0-154.8 360.0 30.9 -33.2 46.5