==== 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 3R2M . 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) . 8474.0 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 . 3 1.9 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 . 6 3.9 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 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 0 139 0, 0.0 2,-0.5 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 128.5 20.7 20.7 47.0 2 2 A Q - 0 0 156 64,-0.1 64,-0.2 1,-0.0 63,-0.1 -0.686 360.0-143.4 -82.9 124.8 20.3 24.1 48.6 3 3 A G - 0 0 14 62,-2.5 -1,-0.0 -2,-0.5 59,-0.0 -0.281 33.7 -82.8 -73.9 169.4 21.1 26.9 46.3 4 4 A H >> - 0 0 77 1,-0.1 4,-2.7 106,-0.1 3,-0.6 -0.613 37.8-130.4 -71.9 129.0 22.9 30.1 47.3 5 5 A P H 3> S+ 0 0 85 0, 0.0 4,-2.3 0, 0.0 5,-0.2 0.807 107.1 53.7 -53.6 -34.6 20.3 32.4 48.9 6 6 A E H 3> S+ 0 0 98 2,-0.2 4,-1.7 1,-0.2 5,-0.1 0.887 111.4 45.4 -68.1 -38.9 21.5 35.4 46.7 7 7 A V H <> S+ 0 0 0 -3,-0.6 4,-2.9 2,-0.2 5,-0.2 0.925 113.1 50.0 -66.0 -46.9 21.1 33.3 43.5 8 8 A I H X S+ 0 0 20 -4,-2.7 4,-2.2 1,-0.2 -2,-0.2 0.941 111.2 48.9 -59.4 -45.5 17.7 32.0 44.6 9 9 A D H X S+ 0 0 91 -4,-2.3 4,-1.6 -5,-0.2 -1,-0.2 0.902 112.8 47.7 -60.0 -40.7 16.5 35.5 45.4 10 10 A Y H X S+ 0 0 35 -4,-1.7 4,-2.1 2,-0.2 -2,-0.2 0.899 108.6 53.3 -71.4 -38.4 17.7 36.8 42.0 11 11 A L H X S+ 0 0 2 -4,-2.9 4,-2.6 1,-0.2 -1,-0.2 0.907 107.9 53.5 -59.7 -40.0 16.0 33.9 40.1 12 12 A N H X S+ 0 0 7 -4,-2.2 4,-2.2 -5,-0.2 -1,-0.2 0.885 105.9 51.8 -62.7 -39.5 12.8 34.9 41.9 13 13 A T H X S+ 0 0 64 -4,-1.6 4,-1.3 2,-0.2 -1,-0.2 0.901 112.4 45.7 -61.2 -43.1 13.2 38.5 40.7 14 14 A L H X S+ 0 0 4 -4,-2.1 4,-2.1 2,-0.2 -2,-0.2 0.905 109.3 57.1 -65.8 -40.4 13.6 37.2 37.1 15 15 A L H X S+ 0 0 0 -4,-2.6 4,-2.5 1,-0.2 5,-0.2 0.941 106.0 47.3 -58.4 -49.6 10.6 34.8 37.6 16 16 A T H X S+ 0 0 11 -4,-2.2 58,-2.1 1,-0.2 4,-1.6 0.847 111.5 53.0 -65.4 -29.7 8.2 37.6 38.5 17 17 A G H X S+ 0 0 9 -4,-1.3 4,-2.1 -5,-0.2 -1,-0.2 0.864 109.8 47.4 -66.2 -38.2 9.5 39.6 35.5 18 18 A E H X S+ 0 0 2 -4,-2.1 4,-2.7 2,-0.2 -2,-0.2 0.876 108.2 54.2 -73.3 -38.6 8.9 36.6 33.1 19 19 A L H X S+ 0 0 6 -4,-2.5 4,-1.9 1,-0.2 -1,-0.2 0.903 111.3 47.4 -60.5 -40.8 5.4 36.1 34.5 20 20 A A H X S+ 0 0 2 -4,-1.6 4,-2.6 -5,-0.2 -2,-0.2 0.905 109.0 52.0 -64.0 -45.8 4.7 39.8 33.7 21 21 A A H X S+ 0 0 0 -4,-2.1 4,-2.4 2,-0.2 5,-0.2 0.940 108.9 52.6 -55.0 -49.0 6.2 39.5 30.2 22 22 A R H X S+ 0 0 65 -4,-2.7 4,-1.8 1,-0.2 -1,-0.2 0.931 112.7 44.9 -48.5 -50.6 3.9 36.5 29.6 23 23 A D H X S+ 0 0 51 -4,-1.9 4,-2.3 2,-0.2 -2,-0.2 0.849 109.3 53.4 -72.1 -29.6 0.9 38.6 30.7 24 24 A Q H X S+ 0 0 3 -4,-2.6 4,-2.5 1,-0.2 -1,-0.2 0.904 112.1 45.5 -71.7 -37.2 1.8 41.7 28.7 25 25 A Y H X S+ 0 0 4 -4,-2.4 4,-2.6 -5,-0.2 5,-0.3 0.848 108.4 60.0 -70.9 -29.7 2.0 39.6 25.6 26 26 A F H X S+ 0 0 99 -4,-1.8 4,-1.8 -5,-0.2 -2,-0.2 0.979 112.7 36.4 -57.7 -56.8 -1.3 37.9 26.6 27 27 A I H X S+ 0 0 68 -4,-2.3 4,-2.2 1,-0.2 -2,-0.2 0.944 118.2 49.7 -68.4 -45.0 -3.1 41.3 26.6 28 28 A H H X S+ 0 0 0 -4,-2.5 4,-2.5 1,-0.2 -1,-0.2 0.918 109.6 50.9 -60.8 -43.8 -1.3 42.7 23.5 29 29 A S H X S+ 0 0 0 -4,-2.6 4,-1.8 1,-0.2 -1,-0.2 0.935 112.6 46.5 -59.8 -40.6 -1.9 39.6 21.3 30 30 A R H X S+ 0 0 89 -4,-1.8 4,-2.0 -5,-0.3 -1,-0.2 0.838 110.9 52.0 -73.5 -30.8 -5.6 39.7 22.1 31 31 A M H X S+ 0 0 34 -4,-2.2 4,-1.6 2,-0.2 -1,-0.2 0.910 107.4 53.1 -66.2 -41.8 -5.8 43.4 21.4 32 32 A Y H <>S+ 0 0 0 -4,-2.5 5,-2.6 1,-0.2 4,-0.2 0.892 111.1 46.4 -60.3 -39.8 -4.1 42.9 18.1 33 33 A E H ><5S+ 0 0 83 -4,-1.8 3,-1.3 3,-0.2 -1,-0.2 0.873 105.6 59.2 -72.1 -34.9 -6.7 40.3 17.2 34 34 A D H 3<5S+ 0 0 129 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.853 109.1 46.0 -60.3 -33.2 -9.6 42.5 18.4 35 35 A W T 3<5S- 0 0 106 -4,-1.6 -1,-0.3 -5,-0.1 -2,-0.2 0.463 122.6-106.0 -89.2 -2.1 -8.4 45.1 15.8 36 36 A G T < 5S+ 0 0 35 -3,-1.3 2,-1.1 -4,-0.2 -3,-0.2 0.643 77.4 131.9 88.7 14.2 -8.1 42.4 13.0 37 37 A F >>< + 0 0 32 -5,-2.6 4,-2.1 117,-0.2 3,-0.5 -0.693 24.1 169.9 -96.7 81.1 -4.3 42.2 12.8 38 38 A S H 3> S+ 0 0 42 -2,-1.1 4,-2.4 1,-0.2 116,-0.2 0.794 70.9 58.5 -70.7 -23.9 -4.0 38.4 12.9 39 39 A K H 3> S+ 0 0 111 114,-1.9 4,-1.7 2,-0.2 -1,-0.2 0.860 109.2 45.7 -71.8 -32.6 -0.3 38.2 12.0 40 40 A L H <> S+ 0 0 0 113,-0.7 4,-2.4 -3,-0.5 5,-0.3 0.885 111.0 53.2 -74.2 -38.7 0.5 40.3 15.1 41 41 A Y H X S+ 0 0 47 -4,-2.1 4,-2.5 1,-0.2 5,-0.3 0.950 110.0 49.1 -55.9 -49.6 -1.9 38.2 17.2 42 42 A E H X S+ 0 0 115 -4,-2.4 4,-1.9 1,-0.2 -2,-0.2 0.909 112.4 45.8 -61.5 -43.7 -0.0 35.0 16.1 43 43 A R H X S+ 0 0 71 -4,-1.7 4,-2.2 2,-0.2 -1,-0.2 0.947 116.8 42.9 -67.2 -47.0 3.5 36.3 16.8 44 44 A L H X S+ 0 0 1 -4,-2.4 4,-2.4 2,-0.2 -1,-0.2 0.825 111.0 55.5 -72.5 -28.7 2.6 37.7 20.3 45 45 A N H X S+ 0 0 20 -4,-2.5 4,-2.0 -5,-0.3 -1,-0.2 0.920 109.5 48.5 -63.9 -41.6 0.6 34.6 21.2 46 46 A H H X S+ 0 0 82 -4,-1.9 4,-2.1 -5,-0.3 -2,-0.2 0.925 109.9 50.9 -62.7 -42.5 3.7 32.7 20.4 47 47 A E H X S+ 0 0 2 -4,-2.2 4,-2.6 1,-0.2 5,-0.2 0.899 105.4 56.7 -65.7 -37.5 5.8 35.0 22.5 48 48 A M H X S+ 0 0 24 -4,-2.4 4,-2.1 2,-0.2 -1,-0.2 0.936 107.8 48.4 -54.6 -46.6 3.4 34.6 25.4 49 49 A E H X S+ 0 0 94 -4,-2.0 4,-2.2 1,-0.2 -2,-0.2 0.916 110.7 51.2 -61.7 -41.8 4.0 30.8 25.2 50 50 A E H X S+ 0 0 32 -4,-2.1 4,-2.3 2,-0.2 -2,-0.2 0.900 110.0 48.0 -63.5 -40.7 7.8 31.4 25.1 51 51 A E H X S+ 0 0 0 -4,-2.6 4,-2.8 2,-0.2 -1,-0.2 0.851 108.2 56.4 -67.6 -32.9 7.7 33.6 28.2 52 52 A T H X S+ 0 0 62 -4,-2.1 4,-2.7 -5,-0.2 -2,-0.2 0.934 109.3 46.1 -61.7 -42.7 5.6 30.9 29.9 53 53 A Q H X S+ 0 0 124 -4,-2.2 4,-2.5 2,-0.2 -2,-0.2 0.888 110.9 52.5 -65.9 -38.9 8.3 28.5 29.2 54 54 A H H X S+ 0 0 10 -4,-2.3 4,-1.8 2,-0.2 -2,-0.2 0.946 111.9 45.7 -60.7 -47.2 11.0 30.9 30.4 55 55 A A H X S+ 0 0 5 -4,-2.8 4,-3.0 1,-0.2 5,-0.2 0.927 111.1 53.5 -59.3 -45.2 9.0 31.4 33.7 56 56 A D H X S+ 0 0 63 -4,-2.7 4,-2.6 1,-0.2 5,-0.2 0.918 106.4 51.8 -58.1 -47.4 8.6 27.6 34.0 57 57 A A H X S+ 0 0 39 -4,-2.5 4,-1.8 2,-0.2 -1,-0.2 0.926 114.0 43.9 -56.6 -44.4 12.4 27.0 33.6 58 58 A L H X S+ 0 0 1 -4,-1.8 4,-2.6 2,-0.2 -2,-0.2 0.931 112.4 52.2 -66.2 -45.4 13.1 29.5 36.4 59 59 A L H X S+ 0 0 39 -4,-3.0 4,-2.2 1,-0.2 -2,-0.2 0.933 111.7 46.0 -56.0 -49.9 10.3 28.2 38.7 60 60 A R H X S+ 0 0 160 -4,-2.6 4,-2.4 -5,-0.2 -1,-0.2 0.870 111.9 51.4 -63.6 -35.4 11.6 24.6 38.4 61 61 A R H X S+ 0 0 24 -4,-1.8 4,-1.8 -5,-0.2 -2,-0.2 0.919 108.6 51.4 -69.4 -40.8 15.2 25.6 39.0 62 62 A I H <>S+ 0 0 0 -4,-2.6 5,-2.9 1,-0.2 -2,-0.2 0.927 112.2 46.7 -58.9 -46.7 14.2 27.6 42.2 63 63 A L H ><5S+ 0 0 96 -4,-2.2 3,-2.0 1,-0.2 -2,-0.2 0.921 109.6 53.2 -62.5 -44.2 12.3 24.5 43.5 64 64 A L H 3<5S+ 0 0 95 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.875 107.7 52.3 -57.1 -35.4 15.3 22.2 42.6 65 65 A L T 3<5S- 0 0 1 -4,-1.8 -62,-2.5 -5,-0.1 -1,-0.3 0.282 122.2-110.9 -87.1 8.6 17.5 24.6 44.7 66 66 A E T < 5S+ 0 0 116 -3,-2.0 -3,-0.2 1,-0.2 -2,-0.1 0.700 74.3 134.1 69.6 25.3 15.1 24.2 47.6 67 67 A G < - 0 0 12 -5,-2.9 -1,-0.2 -6,-0.2 -58,-0.0 -0.411 59.0-114.3 -94.2 175.3 13.8 27.8 47.3 68 68 A T - 0 0 117 -2,-0.1 2,-0.1 -3,-0.1 -5,-0.0 -0.950 32.5-126.1-113.8 117.0 10.2 29.0 47.4 69 69 A P - 0 0 29 0, 0.0 2,-0.6 0, 0.0 -10,-0.0 -0.345 9.9-135.3 -71.8 145.5 9.0 30.6 44.1 70 70 A R - 0 0 106 1,-0.1 -11,-0.0 2,-0.1 -2,-0.0 -0.868 22.0-176.7 -93.9 116.9 7.5 34.1 44.1 71 71 A M + 0 0 101 -2,-0.6 -1,-0.1 2,-0.1 -12,-0.0 0.426 43.8 110.1-103.5 0.9 4.4 34.0 41.9 72 72 A R - 0 0 209 1,-0.0 -52,-0.1 -53,-0.0 -53,-0.1 -0.633 66.0-134.1 -76.8 115.7 3.3 37.6 41.9 73 73 A P - 0 0 48 0, 0.0 -56,-0.2 0, 0.0 -57,-0.1 -0.375 20.9-108.7 -67.9 149.4 3.9 39.0 38.4 74 74 A D - 0 0 67 -58,-2.1 2,-0.0 1,-0.1 0, 0.0 -0.251 51.2 -80.1 -59.1 159.2 5.5 42.4 38.1 75 75 A D - 0 0 139 1,-0.0 2,-0.2 2,-0.0 -1,-0.1 -0.358 48.2-143.3 -56.6 142.1 3.2 45.3 36.9 76 76 A I - 0 0 57 -3,-0.1 -55,-0.1 -53,-0.1 -1,-0.0 -0.694 7.3-154.1-105.4 168.9 2.7 45.4 33.2 77 77 A H - 0 0 130 -2,-0.2 15,-0.1 11,-0.1 -2,-0.0 -0.573 14.5-168.6-144.3 70.3 2.3 48.5 31.0 78 78 A P - 0 0 62 0, 0.0 7,-0.1 0, 0.0 2,-0.1 -0.281 16.7-129.9 -65.4 150.4 0.3 47.8 27.8 79 79 A G - 0 0 9 2,-0.1 3,-0.1 3,-0.1 6,-0.0 -0.245 4.6-137.9 -87.7-179.4 0.2 50.4 25.0 80 80 A T S S+ 0 0 97 1,-0.1 2,-0.3 -2,-0.1 -1,-0.1 0.402 82.1 38.0-121.8 -5.4 -3.0 51.7 23.4 81 81 A T S > S- 0 0 56 1,-0.1 4,-2.6 0, 0.0 5,-0.2 -0.916 92.2 -99.9-140.3 161.7 -1.9 51.8 19.7 82 82 A V H > S+ 0 0 7 -2,-0.3 4,-2.4 1,-0.2 5,-0.3 0.955 122.3 46.4 -54.5 -52.1 0.2 49.4 17.5 83 83 A P H > S+ 0 0 40 0, 0.0 4,-2.4 0, 0.0 -1,-0.2 0.920 113.8 48.3 -58.4 -42.0 3.3 51.6 17.8 84 84 A E H > S+ 0 0 92 2,-0.2 4,-2.4 1,-0.2 -2,-0.2 0.877 111.6 50.4 -63.6 -35.8 2.9 52.1 21.6 85 85 A M H X S+ 0 0 0 -4,-2.6 4,-2.5 2,-0.2 -1,-0.2 0.924 111.1 47.5 -70.0 -42.6 2.5 48.4 22.1 86 86 A L H X S+ 0 0 0 -4,-2.4 4,-2.1 -5,-0.2 -2,-0.2 0.938 115.4 46.1 -58.7 -49.9 5.6 47.5 20.1 87 87 A E H X S+ 0 0 102 -4,-2.4 4,-2.4 -5,-0.3 -2,-0.2 0.891 111.4 52.0 -60.1 -41.0 7.6 50.1 22.0 88 88 A A H X S+ 0 0 22 -4,-2.4 4,-1.9 1,-0.2 -2,-0.2 0.905 111.4 46.4 -66.9 -40.7 6.2 49.0 25.3 89 89 A D H X S+ 0 0 1 -4,-2.5 4,-2.5 2,-0.2 -1,-0.2 0.881 112.0 51.2 -65.0 -36.2 7.2 45.3 24.6 90 90 A L H X S+ 0 0 5 -4,-2.1 4,-2.3 2,-0.2 -2,-0.2 0.902 108.7 51.9 -68.5 -39.2 10.7 46.4 23.4 91 91 A K H X S+ 0 0 168 -4,-2.4 4,-1.8 1,-0.2 -1,-0.2 0.927 111.2 47.6 -60.0 -45.6 11.1 48.4 26.6 92 92 A L H X S+ 0 0 35 -4,-1.9 4,-2.6 1,-0.2 -2,-0.2 0.920 111.3 49.4 -62.3 -46.4 10.2 45.3 28.6 93 93 A E H X S+ 0 0 0 -4,-2.5 4,-2.8 1,-0.2 -1,-0.2 0.876 108.7 53.6 -63.6 -36.9 12.6 43.0 26.7 94 94 A R H X S+ 0 0 137 -4,-2.3 4,-2.2 2,-0.2 -1,-0.2 0.891 109.6 48.5 -63.9 -38.0 15.4 45.5 27.1 95 95 A H H X S+ 0 0 120 -4,-1.8 4,-2.6 2,-0.2 -2,-0.2 0.946 112.2 47.9 -63.4 -48.6 14.8 45.4 30.9 96 96 A V H X S+ 0 0 5 -4,-2.6 4,-3.0 2,-0.2 5,-0.3 0.925 109.4 54.8 -55.2 -43.0 14.7 41.6 30.8 97 97 A R H X S+ 0 0 105 -4,-2.8 4,-2.3 1,-0.2 -2,-0.2 0.944 111.0 43.8 -57.5 -53.8 18.0 41.6 28.8 98 98 A A H X S+ 0 0 57 -4,-2.2 4,-2.2 1,-0.2 -1,-0.2 0.909 114.4 50.5 -57.9 -43.6 19.8 43.8 31.4 99 99 A A H X S+ 0 0 16 -4,-2.6 4,-2.1 1,-0.2 -2,-0.2 0.897 111.1 47.7 -66.4 -40.5 18.3 41.7 34.3 100 100 A L H X S+ 0 0 0 -4,-3.0 4,-2.1 2,-0.2 -1,-0.2 0.913 110.6 51.4 -65.5 -41.5 19.4 38.4 32.7 101 101 A A H X S+ 0 0 27 -4,-2.3 4,-1.9 -5,-0.3 -2,-0.2 0.928 110.6 48.9 -65.3 -37.6 22.9 39.7 32.0 102 102 A K H X S+ 0 0 143 -4,-2.2 4,-2.0 1,-0.2 -1,-0.2 0.904 110.7 52.2 -66.2 -37.8 23.2 40.8 35.7 103 103 A G H X S+ 0 0 0 -4,-2.1 4,-2.5 2,-0.2 -1,-0.2 0.853 104.8 53.9 -65.0 -37.5 22.0 37.4 36.8 104 104 A I H X S+ 0 0 18 -4,-2.1 4,-2.4 2,-0.2 -1,-0.2 0.933 108.9 49.7 -65.0 -43.1 24.6 35.6 34.7 105 105 A A H X S+ 0 0 62 -4,-1.9 4,-2.2 1,-0.2 -2,-0.2 0.909 111.9 48.2 -61.5 -43.9 27.3 37.6 36.3 106 106 A L H X S+ 0 0 25 -4,-2.0 4,-2.1 2,-0.2 -1,-0.2 0.881 110.3 51.2 -61.0 -42.3 25.9 36.8 39.8 107 107 A C H <>S+ 0 0 2 -4,-2.5 5,-2.5 2,-0.2 4,-0.2 0.903 109.3 50.8 -65.1 -39.7 25.7 33.1 39.0 108 108 A E H ><5S+ 0 0 87 -4,-2.4 3,-1.4 3,-0.2 -2,-0.2 0.944 109.5 51.3 -61.0 -48.5 29.3 33.1 37.9 109 109 A Q H 3<5S+ 0 0 132 -4,-2.2 -2,-0.2 1,-0.3 -1,-0.2 0.873 114.4 42.1 -55.5 -41.6 30.4 34.8 41.1 110 110 A H T 3<5S- 0 0 42 -4,-2.1 -1,-0.3 -5,-0.1 -2,-0.2 0.316 112.6-119.8 -92.3 9.4 28.5 32.2 43.3 111 111 A K T < 5 + 0 0 157 -3,-1.4 2,-0.9 -4,-0.2 -3,-0.2 0.817 65.5 142.8 58.4 35.3 29.7 29.3 41.1 112 112 A D >< + 0 0 21 -5,-2.5 4,-2.1 -6,-0.2 -1,-0.2 -0.743 17.4 166.7-100.4 82.5 26.2 28.3 40.1 113 113 A F H > + 0 0 112 -2,-0.9 4,-1.8 2,-0.2 -1,-0.2 0.772 68.9 54.4 -76.3 -25.9 27.1 27.3 36.5 114 114 A V H > S+ 0 0 87 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.930 109.8 46.6 -74.6 -43.0 23.9 25.5 35.7 115 115 A S H > S+ 0 0 1 1,-0.2 4,-2.3 2,-0.2 -2,-0.2 0.931 110.5 55.6 -61.4 -40.8 21.7 28.4 36.8 116 116 A R H X S+ 0 0 95 -4,-2.1 4,-2.2 1,-0.2 -1,-0.2 0.926 107.6 47.9 -52.1 -48.5 24.1 30.6 34.7 117 117 A D H X S+ 0 0 94 -4,-1.8 4,-2.1 2,-0.2 -1,-0.2 0.854 107.6 55.3 -64.5 -36.2 23.4 28.4 31.6 118 118 A I H X S+ 0 0 43 -4,-2.0 4,-1.6 1,-0.2 -1,-0.2 0.943 111.3 45.2 -61.0 -45.3 19.7 28.5 32.1 119 119 A L H X S+ 0 0 1 -4,-2.3 4,-2.2 1,-0.2 -2,-0.2 0.853 108.1 57.0 -66.5 -35.6 19.9 32.3 32.1 120 120 A K H X S+ 0 0 98 -4,-2.2 4,-2.4 2,-0.2 -1,-0.2 0.918 104.5 52.1 -61.8 -42.1 22.2 32.4 29.0 121 121 A A H X S+ 0 0 47 -4,-2.1 4,-1.9 1,-0.2 -1,-0.2 0.924 112.2 46.5 -61.7 -41.7 19.6 30.4 27.0 122 122 A Q H X S+ 0 0 6 -4,-1.6 4,-2.6 1,-0.2 -1,-0.2 0.854 108.9 55.0 -68.7 -33.2 17.0 33.0 27.9 123 123 A L H X S+ 0 0 21 -4,-2.2 4,-2.7 2,-0.2 5,-0.3 0.904 107.1 49.9 -65.1 -41.6 19.3 35.9 27.1 124 124 A A H X S+ 0 0 38 -4,-2.4 4,-2.8 2,-0.2 5,-0.5 0.941 112.1 48.4 -62.1 -45.2 19.9 34.6 23.6 125 125 A D H X>S+ 0 0 52 -4,-1.9 5,-2.3 -5,-0.2 4,-1.6 0.927 112.9 49.0 -57.6 -47.3 16.1 34.2 23.1 126 126 A T H <>S+ 0 0 0 -4,-2.6 5,-3.1 3,-0.2 6,-0.4 0.929 120.5 33.6 -60.1 -48.1 15.6 37.7 24.5 127 127 A E H <>S+ 0 0 73 -4,-2.7 5,-0.7 3,-0.2 -2,-0.2 0.927 127.0 33.8 -74.8 -46.9 18.2 39.4 22.3 128 128 A E H <5S+ 0 0 133 -4,-2.8 -3,-0.2 -5,-0.3 -2,-0.2 0.707 133.1 19.0 -94.4 -18.5 18.1 37.4 19.1 129 129 A D T X5S+ 0 0 68 -4,-1.6 4,-1.8 -5,-0.5 5,-0.2 0.753 127.4 31.3-112.3 -67.8 14.4 36.6 18.9 130 130 A H H > S+ 0 0 53 1,-0.2 4,-3.0 2,-0.2 5,-0.2 0.883 122.3 55.2 -63.5 -43.5 2.6 52.9 9.6 147 147 A E H > S+ 0 0 147 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.923 111.7 43.6 -57.9 -46.2 -0.5 52.5 7.2 148 148 A N H > S+ 0 0 90 -4,-0.4 4,-1.8 2,-0.2 -1,-0.2 0.889 113.8 52.1 -65.7 -39.5 1.5 50.1 4.9 149 149 A Y H X S+ 0 0 0 -4,-2.1 4,-0.5 2,-0.2 -2,-0.2 0.950 110.0 47.8 -60.5 -46.7 2.9 48.3 7.9 150 150 A L H >< S+ 0 0 40 -4,-3.0 3,-1.4 1,-0.3 4,-0.4 0.886 107.4 56.7 -65.6 -37.2 -0.5 47.7 9.4 151 151 A Q H >< S+ 0 0 133 -4,-2.1 3,-1.3 1,-0.3 -1,-0.3 0.910 103.5 55.0 -56.9 -42.0 -1.8 46.5 6.0 152 152 A S H 3< S+ 0 0 49 -4,-1.8 -1,-0.3 1,-0.2 -2,-0.2 0.605 102.8 57.0 -69.0 -13.1 0.9 43.9 6.0 153 153 A Q T << 0 0 20 -3,-1.4 -114,-1.9 -4,-0.5 -113,-0.7 0.371 360.0 360.0-102.9 1.8 -0.2 42.5 9.5 154 154 A I < 0 0 122 -3,-1.3 -117,-0.2 -4,-0.4 -118,-0.1 -0.330 360.0 360.0 -55.9 360.0 -3.9 41.7 8.6