==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-FEB-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER METAL BINDING PROTEIN 14-MAR-11 3R2H . COMPND 2 MOLECULE: BACTERIOFERRITIN; . SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOMONAS AERUGINOSA; . AUTHOR S.W.LOVELL,K.P.BATTAILE,H.YAO,G.JEPKORIR,P.V.NAMA,S.WEERATUN . 154 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8459.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 131 85.1 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 . 4 2.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 7 4.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 111 72.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 3.2 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 0 1 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 1 1 0 1 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 1 A M 0 0 137 0, 0.0 2,-0.6 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 130.5 -20.6 -20.5 -46.7 2 2 A Q - 0 0 162 64,-0.1 64,-0.2 1,-0.0 63,-0.1 -0.700 360.0-146.0 -83.3 121.3 -23.9 -20.3 -48.5 3 3 A G - 0 0 14 62,-2.3 -1,-0.0 -2,-0.6 59,-0.0 -0.235 32.7 -81.5 -73.9 170.4 -26.8 -21.1 -46.1 4 4 A H >> - 0 0 72 1,-0.1 4,-2.7 106,-0.1 3,-0.6 -0.593 38.7-131.0 -73.8 132.0 -30.0 -22.9 -47.1 5 5 A P H 3> S+ 0 0 87 0, 0.0 4,-2.4 0, 0.0 5,-0.1 0.827 106.0 52.3 -57.2 -35.1 -32.3 -20.4 -48.7 6 6 A E H 3> S+ 0 0 99 2,-0.2 4,-1.8 1,-0.2 5,-0.1 0.858 111.6 46.6 -67.2 -36.1 -35.3 -21.5 -46.5 7 7 A V H <> S+ 0 0 0 -3,-0.6 4,-2.8 2,-0.2 5,-0.2 0.934 112.3 49.4 -71.9 -44.9 -33.2 -21.0 -43.4 8 8 A I H X S+ 0 0 19 -4,-2.7 4,-2.1 1,-0.2 -2,-0.2 0.935 111.8 49.6 -60.7 -44.2 -31.9 -17.6 -44.4 9 9 A D H X S+ 0 0 90 -4,-2.4 4,-1.7 -5,-0.3 -1,-0.2 0.908 112.1 47.6 -59.1 -43.5 -35.4 -16.5 -45.3 10 10 A Y H X S+ 0 0 35 -4,-1.8 4,-2.2 2,-0.2 -2,-0.2 0.903 108.8 53.6 -68.9 -38.1 -36.7 -17.7 -41.9 11 11 A L H X S+ 0 0 2 -4,-2.8 4,-2.6 1,-0.2 -1,-0.2 0.893 107.3 53.1 -62.1 -37.1 -33.8 -16.0 -40.0 12 12 A N H X S+ 0 0 6 -4,-2.1 4,-2.2 -5,-0.2 -1,-0.2 0.873 105.7 52.9 -64.8 -38.7 -34.8 -12.8 -41.8 13 13 A T H X S+ 0 0 67 -4,-1.7 4,-1.3 2,-0.2 -2,-0.2 0.908 111.7 46.0 -60.1 -41.7 -38.4 -13.2 -40.6 14 14 A L H X S+ 0 0 7 -4,-2.2 4,-2.1 1,-0.2 -2,-0.2 0.905 109.2 56.6 -67.1 -39.4 -37.0 -13.6 -37.0 15 15 A L H X S+ 0 0 0 -4,-2.6 4,-2.5 1,-0.2 5,-0.2 0.922 106.2 47.4 -59.1 -49.2 -34.8 -10.5 -37.5 16 16 A T H X S+ 0 0 13 -4,-2.2 58,-2.0 1,-0.2 4,-1.6 0.852 112.0 53.3 -64.3 -31.0 -37.6 -8.2 -38.5 17 17 A G H X S+ 0 0 8 -4,-1.3 4,-2.3 -5,-0.2 -1,-0.2 0.874 110.3 45.5 -65.3 -39.4 -39.5 -9.5 -35.4 18 18 A E H X S+ 0 0 2 -4,-2.1 4,-2.6 2,-0.2 -2,-0.2 0.859 109.2 54.6 -76.9 -35.3 -36.6 -8.8 -33.1 19 19 A L H X S+ 0 0 6 -4,-2.5 4,-1.6 -5,-0.2 -1,-0.2 0.914 112.4 45.9 -59.7 -40.1 -36.0 -5.3 -34.5 20 20 A A H X S+ 0 0 3 -4,-1.6 4,-2.7 -5,-0.2 5,-0.2 0.930 110.4 51.0 -69.0 -45.3 -39.7 -4.6 -33.8 21 21 A A H X S+ 0 0 0 -4,-2.3 4,-2.5 1,-0.2 5,-0.3 0.942 107.9 54.5 -58.9 -44.7 -39.5 -6.1 -30.3 22 22 A R H X S+ 0 0 63 -4,-2.6 4,-1.8 1,-0.2 -1,-0.2 0.920 112.1 44.6 -49.2 -48.3 -36.5 -3.8 -29.6 23 23 A D H X S+ 0 0 51 -4,-1.6 4,-2.4 2,-0.2 -1,-0.2 0.851 108.8 54.4 -74.4 -31.9 -38.5 -0.8 -30.6 24 24 A Q H X S+ 0 0 4 -4,-2.7 4,-2.4 1,-0.2 -1,-0.2 0.896 112.1 45.1 -67.2 -37.6 -41.6 -1.8 -28.7 25 25 A Y H X S+ 0 0 0 -4,-2.5 4,-2.5 -5,-0.2 5,-0.2 0.830 108.9 58.5 -75.2 -27.1 -39.5 -2.0 -25.5 26 26 A F H X S+ 0 0 99 -4,-1.8 4,-1.8 -5,-0.3 -2,-0.2 0.970 112.7 38.4 -58.5 -55.5 -37.8 1.3 -26.4 27 27 A I H X S+ 0 0 70 -4,-2.4 4,-2.3 1,-0.2 5,-0.2 0.950 117.7 49.0 -68.6 -44.0 -41.2 3.1 -26.5 28 28 A H H X S+ 0 0 0 -4,-2.4 4,-2.7 -5,-0.2 5,-0.2 0.934 109.3 52.0 -61.0 -44.0 -42.6 1.2 -23.4 29 29 A S H X S+ 0 0 0 -4,-2.5 4,-2.0 1,-0.2 -1,-0.2 0.937 113.1 44.9 -58.7 -43.3 -39.6 1.8 -21.2 30 30 A R H X S+ 0 0 91 -4,-1.8 4,-2.2 -5,-0.2 -1,-0.2 0.851 110.8 53.5 -72.4 -31.0 -39.6 5.5 -22.0 31 31 A M H X S+ 0 0 36 -4,-2.3 4,-1.5 2,-0.2 -1,-0.2 0.917 108.1 51.0 -63.4 -44.1 -43.4 5.7 -21.4 32 32 A Y H <>S+ 0 0 0 -4,-2.7 5,-2.7 1,-0.2 4,-0.4 0.902 111.7 47.4 -59.6 -41.5 -42.9 4.0 -18.0 33 33 A E H ><5S+ 0 0 89 -4,-2.0 3,-1.1 1,-0.2 -1,-0.2 0.872 105.2 59.4 -65.1 -39.9 -40.2 6.7 -17.2 34 34 A D H 3<5S+ 0 0 126 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.834 109.3 44.9 -58.6 -33.0 -42.6 9.5 -18.4 35 35 A W T 3<5S- 0 0 101 -4,-1.5 -1,-0.3 -3,-0.2 -2,-0.2 0.478 121.5-106.3 -91.0 -6.7 -45.1 8.3 -15.7 36 36 A G T < 5S+ 0 0 40 -3,-1.1 2,-1.1 -4,-0.4 -3,-0.2 0.662 75.1 135.7 92.5 16.9 -42.5 8.0 -13.0 37 37 A F >>< + 0 0 30 -5,-2.7 4,-2.2 117,-0.2 3,-0.5 -0.682 23.4 172.2 -97.4 80.2 -42.2 4.1 -12.8 38 38 A S H 3> S+ 0 0 44 -2,-1.1 4,-2.6 1,-0.2 -1,-0.2 0.816 72.7 55.3 -61.3 -36.1 -38.4 3.9 -12.6 39 39 A K H 3> S+ 0 0 117 114,-1.9 4,-1.9 2,-0.2 -1,-0.2 0.866 109.9 46.2 -68.4 -34.2 -38.4 0.1 -12.0 40 40 A L H <> S+ 0 0 0 113,-0.7 4,-2.4 -3,-0.5 5,-0.3 0.881 111.9 51.7 -76.1 -37.5 -40.5 -0.6 -15.1 41 41 A Y H X S+ 0 0 38 -4,-2.2 4,-2.6 1,-0.2 5,-0.3 0.948 109.8 50.5 -58.7 -48.4 -38.3 1.7 -17.2 42 42 A E H X S+ 0 0 114 -4,-2.6 4,-2.0 1,-0.2 -2,-0.2 0.920 112.6 44.8 -61.1 -43.9 -35.2 -0.1 -15.9 43 43 A R H X S+ 0 0 69 -4,-1.9 4,-2.4 2,-0.2 -1,-0.2 0.941 116.3 44.3 -67.3 -46.6 -36.5 -3.6 -16.8 44 44 A L H X S+ 0 0 0 -4,-2.4 4,-2.6 2,-0.2 -1,-0.2 0.854 110.6 55.0 -70.0 -30.0 -37.8 -2.7 -20.2 45 45 A N H X S+ 0 0 20 -4,-2.6 4,-2.0 -5,-0.3 -1,-0.2 0.924 109.7 48.2 -64.4 -42.3 -34.7 -0.7 -21.1 46 46 A H H X S+ 0 0 79 -4,-2.0 4,-2.3 -5,-0.3 -2,-0.2 0.926 111.0 50.1 -59.7 -44.3 -32.7 -3.8 -20.2 47 47 A E H X S+ 0 0 8 -4,-2.4 4,-2.5 1,-0.2 -2,-0.2 0.876 106.6 55.2 -68.4 -35.4 -35.1 -5.9 -22.4 48 48 A M H X S+ 0 0 23 -4,-2.6 4,-2.0 2,-0.2 -1,-0.2 0.933 109.1 48.2 -56.1 -45.7 -34.6 -3.5 -25.3 49 49 A E H X S+ 0 0 92 -4,-2.0 4,-2.1 2,-0.2 -2,-0.2 0.889 110.3 51.5 -62.2 -41.0 -30.9 -4.0 -25.0 50 50 A E H X S+ 0 0 39 -4,-2.3 4,-2.4 1,-0.2 -1,-0.2 0.909 109.4 50.2 -62.3 -41.7 -31.4 -7.8 -25.0 51 51 A E H X S+ 0 0 2 -4,-2.5 4,-2.7 2,-0.2 -1,-0.2 0.864 106.7 54.5 -65.4 -37.2 -33.5 -7.6 -28.1 52 52 A T H X S+ 0 0 64 -4,-2.0 4,-2.6 2,-0.2 -1,-0.2 0.921 109.7 48.0 -61.8 -42.6 -30.8 -5.5 -29.8 53 53 A Q H X S+ 0 0 120 -4,-2.1 4,-2.3 2,-0.2 -2,-0.2 0.902 111.1 50.6 -63.9 -41.9 -28.4 -8.3 -29.0 54 54 A H H X S+ 0 0 12 -4,-2.4 4,-1.9 2,-0.2 -2,-0.2 0.928 112.2 46.9 -57.8 -47.4 -30.8 -10.9 -30.3 55 55 A A H X S+ 0 0 6 -4,-2.7 4,-2.9 1,-0.2 5,-0.2 0.920 110.8 52.8 -60.6 -45.1 -31.2 -8.9 -33.6 56 56 A D H X S+ 0 0 65 -4,-2.6 4,-2.7 1,-0.2 5,-0.2 0.917 107.1 51.7 -58.9 -45.3 -27.4 -8.5 -33.9 57 57 A A H X S+ 0 0 38 -4,-2.3 4,-1.8 1,-0.2 -1,-0.2 0.919 113.9 44.0 -59.5 -42.7 -26.9 -12.3 -33.5 58 58 A L H X S+ 0 0 0 -4,-1.9 4,-2.6 2,-0.2 -2,-0.2 0.942 112.8 50.9 -68.2 -45.9 -29.4 -13.0 -36.3 59 59 A L H X S+ 0 0 39 -4,-2.9 4,-2.3 1,-0.2 5,-0.2 0.939 111.9 47.4 -55.8 -47.8 -28.1 -10.3 -38.6 60 60 A R H X S+ 0 0 162 -4,-2.7 4,-2.3 1,-0.2 -1,-0.2 0.880 111.3 50.9 -65.2 -36.4 -24.5 -11.5 -38.3 61 61 A R H X S+ 0 0 26 -4,-1.8 4,-2.2 -5,-0.2 -1,-0.2 0.896 108.5 51.9 -66.7 -41.0 -25.6 -15.1 -38.9 62 62 A I H <>S+ 0 0 0 -4,-2.6 5,-2.9 2,-0.2 -2,-0.2 0.933 112.0 46.2 -62.3 -44.2 -27.5 -14.1 -42.1 63 63 A L H ><5S+ 0 0 98 -4,-2.3 3,-2.1 3,-0.2 -2,-0.2 0.911 109.8 53.7 -63.3 -41.4 -24.4 -12.3 -43.4 64 64 A L H 3<5S+ 0 0 94 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.910 107.4 51.5 -60.5 -38.5 -22.2 -15.2 -42.5 65 65 A L T 3<5S- 0 0 2 -4,-2.2 -62,-2.3 -5,-0.1 -1,-0.3 0.272 122.4-110.8 -81.2 9.8 -24.5 -17.4 -44.5 66 66 A E T < 5S+ 0 0 119 -3,-2.1 -3,-0.2 1,-0.2 2,-0.1 0.689 74.7 134.8 66.7 23.4 -24.1 -14.9 -47.4 67 67 A G < - 0 0 14 -5,-2.9 -1,-0.2 -6,-0.2 -58,-0.0 -0.419 58.9-115.1 -91.4 173.8 -27.7 -13.8 -47.1 68 68 A T - 0 0 118 -2,-0.1 -5,-0.0 -3,-0.1 -56,-0.0 -0.955 31.3-127.0-114.2 116.1 -29.0 -10.2 -47.2 69 69 A P - 0 0 27 0, 0.0 2,-0.6 0, 0.0 -57,-0.0 -0.345 10.3-135.5 -68.3 143.9 -30.6 -9.0 -43.9 70 70 A R - 0 0 108 1,-0.1 -11,-0.0 2,-0.1 -2,-0.0 -0.880 21.9-176.8 -93.9 119.3 -34.0 -7.5 -44.0 71 71 A M + 0 0 101 -2,-0.6 -1,-0.1 2,-0.1 -12,-0.0 0.396 44.5 109.8-103.8 1.2 -33.9 -4.4 -41.8 72 72 A R - 0 0 213 1,-0.0 -52,-0.1 -53,-0.0 -53,-0.1 -0.669 67.2-133.8 -76.7 115.5 -37.5 -3.2 -41.9 73 73 A P - 0 0 44 0, 0.0 -56,-0.2 0, 0.0 -57,-0.1 -0.358 20.0-108.8 -65.9 150.2 -39.0 -3.9 -38.4 74 74 A D - 0 0 67 -58,-2.0 2,-0.0 1,-0.1 0, 0.0 -0.266 51.4 -80.8 -60.9 163.4 -42.4 -5.5 -38.1 75 75 A D - 0 0 139 1,-0.0 2,-0.3 2,-0.0 -1,-0.1 -0.374 47.5-141.0 -63.1 147.8 -45.2 -3.2 -36.9 76 76 A I - 0 0 58 -3,-0.1 -55,-0.1 -53,-0.1 -1,-0.0 -0.715 7.2-153.0-108.6 167.3 -45.3 -2.7 -33.2 77 77 A H - 0 0 128 -2,-0.3 15,-0.1 11,-0.1 -2,-0.0 -0.594 17.0-169.9-140.1 69.6 -48.4 -2.4 -31.0 78 78 A P - 0 0 62 0, 0.0 2,-0.1 0, 0.0 7,-0.1 -0.259 16.4-129.6 -67.9 152.0 -47.7 -0.3 -27.9 79 79 A G - 0 0 11 2,-0.1 3,-0.1 3,-0.1 6,-0.1 -0.323 2.6-139.8 -88.3-179.1 -50.3 -0.2 -25.0 80 80 A T S S+ 0 0 95 1,-0.1 2,-0.3 -2,-0.1 -1,-0.1 0.456 81.6 35.6-123.3 -5.9 -51.6 2.9 -23.4 81 81 A T S > S- 0 0 54 1,-0.1 4,-2.3 0, 0.0 5,-0.2 -0.903 92.1 -99.5-139.3 166.0 -51.7 1.9 -19.7 82 82 A V H > S+ 0 0 8 -2,-0.3 4,-2.6 1,-0.2 5,-0.3 0.944 122.2 47.0 -59.5 -48.8 -49.4 -0.2 -17.6 83 83 A P H > S+ 0 0 40 0, 0.0 4,-2.4 0, 0.0 -1,-0.2 0.929 113.7 48.6 -58.8 -41.4 -51.6 -3.3 -17.8 84 84 A E H > S+ 0 0 91 2,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.849 111.7 50.1 -63.3 -35.4 -52.1 -2.9 -21.5 85 85 A M H X S+ 0 0 0 -4,-2.3 4,-2.4 2,-0.2 5,-0.2 0.912 111.2 47.1 -71.2 -42.7 -48.3 -2.5 -22.0 86 86 A L H X S+ 0 0 0 -4,-2.6 4,-2.3 -5,-0.2 -2,-0.2 0.937 115.2 47.1 -60.6 -46.0 -47.5 -5.6 -20.0 87 87 A E H X S+ 0 0 104 -4,-2.4 4,-2.5 -5,-0.3 -2,-0.2 0.887 111.2 51.1 -64.6 -39.1 -50.1 -7.6 -21.9 88 88 A A H X S+ 0 0 20 -4,-2.2 4,-2.1 2,-0.2 -1,-0.2 0.893 111.7 46.8 -67.8 -41.5 -48.9 -6.3 -25.2 89 89 A D H X S+ 0 0 0 -4,-2.4 4,-2.8 2,-0.2 -1,-0.2 0.887 111.9 50.8 -67.6 -35.5 -45.3 -7.2 -24.4 90 90 A L H X S+ 0 0 4 -4,-2.3 4,-2.5 2,-0.2 -2,-0.2 0.914 109.8 50.3 -67.0 -40.8 -46.4 -10.7 -23.2 91 91 A K H X S+ 0 0 164 -4,-2.5 4,-2.0 2,-0.2 -2,-0.2 0.922 112.2 48.2 -59.7 -43.4 -48.3 -11.2 -26.5 92 92 A L H X S+ 0 0 31 -4,-2.1 4,-2.6 1,-0.2 5,-0.2 0.945 111.1 48.8 -65.0 -46.7 -45.3 -10.2 -28.4 93 93 A E H X S+ 0 0 1 -4,-2.8 4,-2.6 1,-0.2 -1,-0.2 0.887 109.9 52.6 -62.6 -36.5 -43.0 -12.5 -26.5 94 94 A R H X S+ 0 0 135 -4,-2.5 4,-2.1 2,-0.2 -1,-0.2 0.896 109.8 49.4 -63.9 -38.1 -45.5 -15.4 -27.0 95 95 A H H X S+ 0 0 116 -4,-2.0 4,-2.3 2,-0.2 -2,-0.2 0.938 112.0 47.1 -63.1 -47.1 -45.4 -14.7 -30.7 96 96 A V H X S+ 0 0 3 -4,-2.6 4,-2.7 1,-0.2 5,-0.3 0.908 109.3 55.6 -61.5 -40.3 -41.6 -14.7 -30.7 97 97 A R H X S+ 0 0 107 -4,-2.6 4,-2.3 -5,-0.2 -1,-0.2 0.947 110.4 44.2 -56.8 -49.3 -41.5 -17.9 -28.7 98 98 A A H X S+ 0 0 58 -4,-2.1 4,-2.0 1,-0.2 -1,-0.2 0.909 113.7 50.9 -65.3 -38.3 -43.7 -19.7 -31.3 99 99 A A H X S+ 0 0 16 -4,-2.3 4,-1.9 1,-0.2 -1,-0.2 0.869 110.8 48.0 -68.8 -36.5 -41.6 -18.3 -34.2 100 100 A L H X S+ 0 0 0 -4,-2.7 4,-2.4 2,-0.2 -1,-0.2 0.905 109.6 52.2 -70.4 -41.7 -38.4 -19.4 -32.6 101 101 A A H X S+ 0 0 29 -4,-2.3 4,-1.9 -5,-0.3 -2,-0.2 0.913 110.9 48.3 -61.8 -39.2 -39.7 -22.9 -31.9 102 102 A K H X S+ 0 0 142 -4,-2.0 4,-1.8 1,-0.2 -1,-0.2 0.907 111.3 51.1 -66.7 -37.6 -40.8 -23.2 -35.6 103 103 A G H X S+ 0 0 0 -4,-1.9 4,-2.6 2,-0.2 -2,-0.2 0.862 105.7 54.1 -68.7 -36.1 -37.4 -22.0 -36.7 104 104 A I H X S+ 0 0 18 -4,-2.4 4,-2.1 2,-0.2 -1,-0.2 0.935 109.5 48.7 -64.1 -42.8 -35.5 -24.5 -34.5 105 105 A A H X S+ 0 0 62 -4,-1.9 4,-2.1 1,-0.2 -2,-0.2 0.897 112.0 49.2 -62.9 -38.0 -37.5 -27.3 -36.2 106 106 A L H X S+ 0 0 26 -4,-1.8 4,-2.0 1,-0.2 -2,-0.2 0.908 109.4 51.2 -70.1 -38.9 -36.7 -25.9 -39.6 107 107 A C H <>S+ 0 0 3 -4,-2.6 5,-2.9 2,-0.2 -1,-0.2 0.893 109.8 50.1 -65.8 -38.3 -33.0 -25.6 -38.9 108 108 A E H ><5S+ 0 0 88 -4,-2.1 3,-1.5 3,-0.2 -2,-0.2 0.947 109.0 52.5 -63.7 -45.7 -32.9 -29.2 -37.7 109 109 A Q H 3<5S+ 0 0 140 -4,-2.1 -2,-0.2 1,-0.3 -1,-0.2 0.861 114.3 41.6 -57.6 -40.5 -34.7 -30.3 -40.9 110 110 A H T 3<5S- 0 0 40 -4,-2.0 -1,-0.3 -5,-0.1 -2,-0.2 0.286 113.3-118.5 -93.6 9.2 -32.1 -28.5 -43.1 111 111 A K T < 5 + 0 0 111 -3,-1.5 2,-0.8 1,-0.2 -3,-0.2 0.843 66.2 142.0 58.0 39.4 -29.2 -29.6 -41.0 112 112 A D >< + 0 0 22 -5,-2.9 4,-1.9 1,-0.2 -1,-0.2 -0.756 17.5 167.0-107.4 85.6 -28.1 -26.1 -40.0 113 113 A F H > + 0 0 113 -2,-0.8 4,-1.8 1,-0.2 -1,-0.2 0.759 68.8 54.8 -78.2 -26.2 -27.2 -26.9 -36.4 114 114 A V H > S+ 0 0 85 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.923 109.6 47.4 -74.1 -43.3 -25.4 -23.7 -35.6 115 115 A S H > S+ 0 0 1 1,-0.2 4,-2.2 2,-0.2 -2,-0.2 0.917 110.3 54.4 -60.5 -39.7 -28.3 -21.6 -36.6 116 116 A R H X S+ 0 0 95 -4,-1.9 4,-2.4 1,-0.2 -1,-0.2 0.925 107.3 50.1 -55.6 -44.4 -30.5 -23.9 -34.5 117 117 A D H X S+ 0 0 93 -4,-1.8 4,-1.8 2,-0.2 -1,-0.2 0.861 107.0 53.8 -67.4 -35.9 -28.3 -23.3 -31.5 118 118 A I H X S+ 0 0 45 -4,-1.9 4,-1.7 1,-0.2 -1,-0.2 0.941 111.9 45.6 -60.7 -45.4 -28.5 -19.5 -31.9 119 119 A L H X S+ 0 0 0 -4,-2.2 4,-2.4 1,-0.2 -2,-0.2 0.865 108.3 56.0 -68.7 -34.9 -32.3 -19.8 -31.9 120 120 A K H X S+ 0 0 100 -4,-2.4 4,-2.2 2,-0.2 -1,-0.2 0.899 105.6 51.9 -64.1 -37.8 -32.3 -22.1 -28.9 121 121 A A H X S+ 0 0 46 -4,-1.8 4,-1.7 1,-0.2 -1,-0.2 0.912 112.5 45.2 -63.5 -42.4 -30.3 -19.5 -26.9 122 122 A Q H X S+ 0 0 5 -4,-1.7 4,-2.4 1,-0.2 -1,-0.2 0.852 109.9 56.0 -69.3 -33.8 -32.8 -16.8 -27.8 123 123 A L H X S+ 0 0 22 -4,-2.4 4,-2.7 2,-0.2 5,-0.3 0.894 106.4 49.4 -63.9 -41.3 -35.7 -19.2 -27.0 124 124 A A H X S+ 0 0 39 -4,-2.2 4,-2.6 1,-0.2 5,-0.5 0.922 111.5 49.6 -66.6 -40.4 -34.4 -19.8 -23.5 125 125 A D H X>S+ 0 0 50 -4,-1.7 4,-1.8 -5,-0.2 5,-1.0 0.932 111.7 49.6 -60.1 -44.6 -34.1 -16.0 -23.0 126 126 A T H <>S+ 0 0 2 -4,-2.4 5,-2.0 1,-0.2 6,-0.4 0.949 119.0 35.5 -61.7 -49.4 -37.6 -15.5 -24.3 127 127 A E H <5S+ 0 0 74 -4,-2.7 5,-0.4 4,-0.2 -2,-0.2 0.914 126.1 34.4 -70.1 -45.3 -39.3 -18.2 -22.1 128 128 A E H <5S+ 0 0 135 -4,-2.6 -3,-0.2 -5,-0.3 -2,-0.2 0.749 127.2 26.1 -93.9 -21.9 -37.3 -17.9 -18.9 129 129 A D T X5S+ 0 0 72 -4,-1.8 4,-2.5 -5,-0.5 5,-0.2 0.744 125.8 18.3-106.0 -86.3 -36.5 -14.2 -18.7 130 130 A H H > S+ 0 0 127 -5,-0.4 4,-2.4 -6,-0.4 -1,-0.2 0.917 111.0 50.5 -65.5 -42.2 -41.8 -15.2 -17.4 133 133 A W H X S+ 0 0 33 -4,-2.5 4,-2.2 2,-0.2 -1,-0.2 0.917 109.9 50.2 -62.2 -42.1 -41.2 -11.8 -15.8 134 134 A L H X S+ 0 0 0 -4,-2.5 4,-2.3 -5,-0.2 5,-0.2 0.925 109.7 50.5 -63.2 -43.4 -44.2 -10.3 -17.7 135 135 A E H X S+ 0 0 81 -4,-2.3 4,-2.0 1,-0.2 -1,-0.2 0.904 109.7 52.3 -58.0 -42.1 -46.4 -13.2 -16.5 136 136 A Q H X S+ 0 0 87 -4,-2.4 4,-2.1 2,-0.2 -1,-0.2 0.901 108.2 49.7 -62.1 -41.1 -45.2 -12.5 -13.0 137 137 A Q H X S+ 0 0 9 -4,-2.2 4,-2.3 1,-0.2 -2,-0.2 0.932 111.1 48.2 -66.9 -42.1 -46.1 -8.8 -13.1 138 138 A L H X S+ 0 0 31 -4,-2.3 4,-1.8 1,-0.2 -1,-0.2 0.890 111.8 51.3 -65.0 -33.6 -49.6 -9.5 -14.4 139 139 A G H X S+ 0 0 15 -4,-2.0 4,-1.3 -5,-0.2 -1,-0.2 0.826 107.4 52.7 -70.8 -32.5 -49.9 -12.0 -11.6 140 140 A L H X S+ 0 0 64 -4,-2.1 4,-2.8 2,-0.2 5,-0.5 0.911 107.4 51.3 -70.0 -42.6 -48.8 -9.5 -9.0 141 141 A I H X S+ 0 0 27 -4,-2.3 4,-1.8 1,-0.2 -2,-0.2 0.927 111.1 49.2 -56.1 -44.0 -51.4 -7.0 -10.2 142 142 A A H < S+ 0 0 87 -4,-1.8 -1,-0.2 -5,-0.2 -2,-0.2 0.809 116.4 42.2 -66.6 -27.4 -54.0 -9.8 -9.8 143 143 A R H < S+ 0 0 207 -4,-1.3 -2,-0.2 -3,-0.2 -1,-0.2 0.821 130.5 18.8 -92.0 -34.0 -52.8 -10.7 -6.3 144 144 A M H < S- 0 0 78 -4,-2.8 4,-0.4 1,-0.1 -3,-0.2 0.508 110.5-103.6-116.7 -5.9 -52.3 -7.2 -4.7 145 145 A G X - 0 0 27 -4,-1.8 4,-2.2 -5,-0.5 5,-0.2 0.079 31.2 -88.9 93.1 151.7 -54.3 -4.9 -6.9 146 146 A L H > S+ 0 0 52 1,-0.2 4,-3.0 2,-0.2 5,-0.2 0.893 122.5 54.9 -64.3 -41.8 -53.1 -2.5 -9.6 147 147 A E H > S+ 0 0 149 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.916 111.4 43.6 -62.1 -44.4 -52.6 0.5 -7.2 148 148 A N H > S+ 0 0 90 -4,-0.4 4,-1.8 2,-0.2 -1,-0.2 0.901 113.8 52.6 -64.6 -40.3 -50.3 -1.5 -4.9 149 149 A Y H X S+ 0 0 0 -4,-2.2 4,-0.6 1,-0.2 3,-0.2 0.955 109.1 48.4 -60.6 -47.8 -48.5 -2.9 -7.8 150 150 A L H >< S+ 0 0 40 -4,-3.0 3,-1.2 1,-0.2 4,-0.4 0.892 107.7 55.9 -61.6 -38.9 -47.9 0.6 -9.3 151 151 A Q H >< S+ 0 0 133 -4,-1.9 3,-1.3 1,-0.3 -1,-0.2 0.909 103.9 54.8 -57.3 -41.0 -46.7 1.9 -6.0 152 152 A S H 3< S+ 0 0 54 -4,-1.8 -1,-0.3 1,-0.2 -2,-0.2 0.656 104.0 55.8 -69.1 -14.9 -44.1 -0.9 -6.0 153 153 A Q T << 0 0 20 -3,-1.2 -114,-1.9 -4,-0.6 -113,-0.7 0.387 360.0 360.0-102.4 1.4 -42.7 0.2 -9.4 154 154 A I < 0 0 121 -3,-1.3 -117,-0.2 -4,-0.4 -118,-0.1 -0.368 360.0 360.0 -57.3 360.0 -41.9 3.8 -8.5