==== 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 3R2O . 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) . 8242.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 132 85.7 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 . 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 1 0 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 0 114 0, 0.0 2,-1.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 150.2 -20.5 -19.7 -46.5 2 2 A Q - 0 0 179 64,-0.1 64,-0.2 65,-0.0 63,-0.1 -0.681 360.0-160.9 -86.4 101.7 -23.5 -20.4 -48.8 3 3 A G - 0 0 16 62,-2.2 109,-0.0 -2,-1.0 59,-0.0 -0.359 31.2 -91.2 -77.8 160.1 -26.5 -20.8 -46.4 4 4 A H >> - 0 0 76 1,-0.1 4,-2.5 106,-0.1 3,-0.7 -0.602 33.8-131.1 -73.4 127.0 -29.7 -22.5 -47.5 5 5 A P H 3> S+ 0 0 97 0, 0.0 4,-1.9 0, 0.0 -1,-0.1 0.742 106.2 52.4 -54.0 -28.8 -32.0 -19.9 -49.0 6 6 A E H 3> S+ 0 0 96 2,-0.2 4,-1.9 3,-0.2 5,-0.1 0.874 109.8 47.5 -75.0 -40.1 -35.0 -21.0 -46.8 7 7 A V H <> S+ 0 0 1 -3,-0.7 4,-2.4 2,-0.2 5,-0.2 0.960 113.7 49.0 -61.3 -50.9 -32.9 -20.8 -43.6 8 8 A I H X S+ 0 0 23 -4,-2.5 4,-2.3 1,-0.2 -2,-0.2 0.920 110.4 49.7 -55.7 -47.0 -31.7 -17.3 -44.6 9 9 A D H X S+ 0 0 78 -4,-1.9 4,-1.6 -5,-0.2 -1,-0.2 0.912 113.2 46.9 -62.6 -37.9 -35.2 -16.1 -45.5 10 10 A Y H X S+ 0 0 31 -4,-1.9 4,-2.4 2,-0.2 -1,-0.2 0.846 107.5 54.3 -76.3 -30.4 -36.5 -17.3 -42.1 11 11 A L H X S+ 0 0 2 -4,-2.4 4,-3.5 2,-0.2 -1,-0.2 0.897 106.8 55.2 -64.0 -40.4 -33.6 -15.7 -40.1 12 12 A N H X S+ 0 0 8 -4,-2.3 4,-2.8 -5,-0.2 -2,-0.2 0.896 106.3 49.6 -57.3 -41.3 -34.7 -12.5 -41.9 13 13 A T H X S+ 0 0 51 -4,-1.6 4,-1.6 2,-0.2 -2,-0.2 0.935 113.8 44.8 -61.2 -46.5 -38.2 -13.1 -40.5 14 14 A L H X S+ 0 0 7 -4,-2.4 4,-2.5 2,-0.2 -2,-0.2 0.922 112.1 55.0 -62.2 -43.8 -36.8 -13.6 -37.0 15 15 A L H X S+ 0 0 0 -4,-3.5 4,-2.5 1,-0.2 5,-0.2 0.925 108.7 44.5 -55.3 -51.2 -34.5 -10.6 -37.5 16 16 A T H X S+ 0 0 12 -4,-2.8 58,-2.4 1,-0.2 4,-1.3 0.803 112.5 54.7 -71.5 -22.0 -37.3 -8.2 -38.4 17 17 A G H X S+ 0 0 11 -4,-1.6 4,-2.1 -5,-0.2 -2,-0.2 0.882 110.3 45.4 -68.9 -40.0 -39.3 -9.7 -35.5 18 18 A E H X S+ 0 0 1 -4,-2.5 4,-3.0 2,-0.2 -2,-0.2 0.889 107.9 56.2 -70.6 -40.5 -36.4 -8.9 -33.1 19 19 A L H X S+ 0 0 6 -4,-2.5 4,-1.9 1,-0.2 -1,-0.2 0.899 112.0 45.6 -57.6 -38.3 -35.9 -5.4 -34.5 20 20 A A H X S+ 0 0 5 -4,-1.3 4,-2.6 -5,-0.2 -2,-0.2 0.905 110.0 51.1 -68.9 -45.6 -39.5 -4.8 -33.6 21 21 A A H X S+ 0 0 0 -4,-2.1 4,-2.4 1,-0.2 5,-0.3 0.946 109.8 52.4 -61.5 -43.6 -39.3 -6.4 -30.2 22 22 A R H X S+ 0 0 64 -4,-3.0 4,-2.5 1,-0.2 -1,-0.2 0.928 111.7 46.0 -50.6 -52.0 -36.3 -4.1 -29.5 23 23 A D H X S+ 0 0 45 -4,-1.9 4,-2.5 1,-0.2 -2,-0.2 0.856 110.5 51.7 -67.4 -34.1 -38.4 -1.0 -30.5 24 24 A Q H X S+ 0 0 9 -4,-2.6 4,-2.7 2,-0.2 -1,-0.2 0.909 112.8 44.9 -66.5 -42.4 -41.4 -2.0 -28.5 25 25 A Y H X S+ 0 0 5 -4,-2.4 4,-2.7 -5,-0.2 5,-0.3 0.896 110.6 59.0 -69.2 -34.5 -39.3 -2.4 -25.3 26 26 A F H X S+ 0 0 98 -4,-2.5 4,-1.8 -5,-0.3 -2,-0.2 0.972 112.2 35.7 -53.2 -61.1 -37.6 0.9 -26.3 27 27 A I H X S+ 0 0 69 -4,-2.5 4,-2.1 1,-0.2 -2,-0.2 0.909 117.1 52.6 -66.2 -40.7 -40.9 2.9 -26.3 28 28 A H H X S+ 0 0 0 -4,-2.7 4,-2.8 1,-0.2 5,-0.2 0.932 108.6 50.6 -61.4 -45.6 -42.4 1.0 -23.3 29 29 A S H X S+ 0 0 0 -4,-2.7 4,-2.6 1,-0.2 -1,-0.2 0.926 112.8 46.0 -56.6 -44.4 -39.3 1.6 -21.1 30 30 A R H X S+ 0 0 90 -4,-1.8 4,-2.2 -5,-0.3 -1,-0.2 0.825 111.4 51.8 -72.4 -30.9 -39.3 5.3 -21.8 31 31 A M H X S+ 0 0 39 -4,-2.1 4,-1.7 2,-0.2 -1,-0.2 0.908 109.7 49.4 -64.8 -45.7 -43.1 5.5 -21.2 32 32 A Y H X>S+ 0 0 0 -4,-2.8 5,-2.5 2,-0.2 4,-0.7 0.936 112.1 48.9 -60.6 -43.2 -42.6 3.8 -17.8 33 33 A E H ><5S+ 0 0 85 -4,-2.6 3,-0.9 1,-0.2 -2,-0.2 0.913 107.4 54.4 -61.6 -45.8 -39.8 6.2 -17.0 34 34 A D H 3<5S+ 0 0 134 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.864 109.4 48.6 -53.9 -37.7 -41.9 9.3 -18.0 35 35 A W H 3<5S- 0 0 106 -4,-1.7 -1,-0.2 -3,-0.2 -2,-0.2 0.551 123.8-105.8 -82.3 -12.6 -44.6 8.1 -15.6 36 36 A G T <<5S+ 0 0 37 -3,-0.9 2,-1.1 -4,-0.7 -3,-0.2 0.648 77.4 132.7 101.6 18.1 -42.1 7.7 -12.8 37 37 A F >>< + 0 0 31 -5,-2.5 4,-2.5 117,-0.2 3,-0.9 -0.643 23.5 170.8 -98.5 75.7 -41.8 3.9 -12.6 38 38 A S H 3> S+ 0 0 46 -2,-1.1 4,-2.5 1,-0.3 116,-0.2 0.814 74.1 56.7 -58.0 -32.2 -38.0 3.6 -12.6 39 39 A K H 3> S+ 0 0 105 114,-2.1 4,-1.7 2,-0.2 -1,-0.3 0.858 110.4 43.9 -71.3 -31.7 -38.0 -0.1 -11.8 40 40 A L H <> S+ 0 0 0 -3,-0.9 4,-2.8 113,-0.8 5,-0.4 0.891 111.2 54.8 -75.8 -42.2 -40.1 -0.8 -14.9 41 41 A Y H X S+ 0 0 49 -4,-2.5 4,-2.6 1,-0.2 5,-0.2 0.944 109.6 48.0 -48.8 -51.5 -37.9 1.5 -17.0 42 42 A E H X S+ 0 0 114 -4,-2.5 4,-1.9 1,-0.2 -2,-0.2 0.928 113.4 45.7 -60.9 -47.1 -34.8 -0.5 -15.9 43 43 A R H X S+ 0 0 39 -4,-1.7 4,-2.2 2,-0.2 -1,-0.2 0.941 115.5 44.1 -65.0 -47.2 -36.3 -3.8 -16.7 44 44 A L H X S+ 0 0 0 -4,-2.8 4,-2.9 2,-0.2 -2,-0.2 0.884 111.1 55.9 -65.5 -36.2 -37.7 -2.9 -20.1 45 45 A N H X S+ 0 0 19 -4,-2.6 4,-2.2 -5,-0.4 -1,-0.2 0.918 108.0 49.4 -58.6 -38.4 -34.5 -1.1 -20.9 46 46 A H H X S+ 0 0 63 -4,-1.9 4,-2.4 2,-0.2 -2,-0.2 0.893 109.7 50.0 -66.5 -43.1 -32.7 -4.4 -20.2 47 47 A E H X S+ 0 0 4 -4,-2.2 4,-2.6 2,-0.2 5,-0.2 0.939 108.7 53.0 -63.4 -41.7 -35.1 -6.3 -22.4 48 48 A M H X S+ 0 0 25 -4,-2.9 4,-2.1 1,-0.2 -2,-0.2 0.915 109.9 48.8 -56.7 -44.5 -34.4 -3.7 -25.2 49 49 A E H X S+ 0 0 109 -4,-2.2 4,-2.0 1,-0.2 -1,-0.2 0.919 110.6 50.1 -63.2 -42.9 -30.7 -4.3 -24.8 50 50 A E H X S+ 0 0 45 -4,-2.4 4,-2.4 1,-0.2 -2,-0.2 0.926 110.8 48.7 -62.6 -42.3 -31.1 -8.1 -25.0 51 51 A E H X S+ 0 0 2 -4,-2.6 4,-2.9 2,-0.2 5,-0.2 0.853 107.7 55.4 -64.5 -35.7 -33.3 -7.9 -28.1 52 52 A T H X S+ 0 0 63 -4,-2.1 4,-2.5 -5,-0.2 -1,-0.2 0.925 109.4 47.2 -63.5 -40.6 -30.7 -5.6 -29.7 53 53 A Q H X S+ 0 0 103 -4,-2.0 4,-2.5 2,-0.2 -2,-0.2 0.904 111.3 50.6 -64.7 -41.7 -28.1 -8.3 -29.0 54 54 A H H X S+ 0 0 1 -4,-2.4 4,-2.3 2,-0.2 -2,-0.2 0.950 111.5 47.8 -60.9 -45.6 -30.4 -11.0 -30.4 55 55 A A H X S+ 0 0 6 -4,-2.9 4,-3.0 1,-0.2 5,-0.2 0.932 110.9 52.5 -60.8 -45.2 -31.0 -8.9 -33.6 56 56 A D H X S+ 0 0 64 -4,-2.5 4,-2.5 1,-0.2 5,-0.3 0.914 108.6 49.4 -57.1 -45.8 -27.2 -8.4 -33.9 57 57 A A H X S+ 0 0 26 -4,-2.5 4,-1.9 1,-0.2 -1,-0.2 0.922 113.8 46.0 -65.2 -38.0 -26.5 -12.1 -33.6 58 58 A L H X S+ 0 0 1 -4,-2.3 4,-3.0 2,-0.2 -2,-0.2 0.940 112.0 51.4 -66.8 -47.2 -29.1 -12.9 -36.4 59 59 A L H X S+ 0 0 40 -4,-3.0 4,-2.4 1,-0.2 -2,-0.2 0.932 111.6 45.5 -56.2 -49.9 -27.9 -10.1 -38.6 60 60 A R H X S+ 0 0 164 -4,-2.5 4,-2.5 -5,-0.2 -1,-0.2 0.862 112.3 51.8 -63.7 -39.7 -24.2 -11.3 -38.4 61 61 A R H X S+ 0 0 26 -4,-1.9 4,-2.2 -5,-0.3 -2,-0.2 0.943 107.4 52.7 -63.5 -44.6 -25.3 -14.9 -39.0 62 62 A I H <>S+ 0 0 0 -4,-3.0 5,-2.9 1,-0.2 -2,-0.2 0.930 111.7 47.2 -54.5 -48.3 -27.3 -13.9 -42.1 63 63 A L H ><5S+ 0 0 98 -4,-2.4 3,-1.7 3,-0.2 -1,-0.2 0.908 109.0 52.0 -59.3 -45.3 -24.1 -12.1 -43.4 64 64 A L H 3<5S+ 0 0 88 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.889 109.1 51.7 -57.6 -38.4 -21.9 -15.2 -42.6 65 65 A L T 3<5S- 0 0 6 -4,-2.2 -62,-2.2 -5,-0.2 -1,-0.3 0.346 121.9-113.1 -80.3 5.3 -24.4 -17.3 -44.6 66 66 A E T < 5S+ 0 0 125 -3,-1.7 -3,-0.2 1,-0.2 2,-0.1 0.769 71.9 137.3 64.6 29.9 -24.1 -14.7 -47.5 67 67 A G < - 0 0 12 -5,-2.9 -1,-0.2 -6,-0.2 -58,-0.0 -0.412 58.6-116.7 -88.1 173.6 -27.6 -13.5 -47.1 68 68 A T - 0 0 119 -2,-0.1 2,-0.1 2,-0.0 -56,-0.0 -0.972 33.7-126.3-113.7 115.1 -28.8 -9.9 -47.2 69 69 A P - 0 0 26 0, 0.0 2,-0.7 0, 0.0 -60,-0.1 -0.371 11.0-133.5 -66.4 139.3 -30.3 -8.8 -43.9 70 70 A R - 0 0 97 1,-0.1 -11,-0.0 -61,-0.1 -2,-0.0 -0.853 23.1-174.7 -88.5 118.1 -33.9 -7.4 -43.9 71 71 A M + 0 0 105 -2,-0.7 -1,-0.1 2,-0.1 -12,-0.0 0.407 45.6 106.1-101.0 0.0 -33.6 -4.3 -41.7 72 72 A R - 0 0 212 1,-0.0 -52,-0.1 -53,-0.0 -53,-0.1 -0.705 67.5-133.1 -82.8 120.9 -37.2 -3.2 -41.5 73 73 A P - 0 0 40 0, 0.0 -56,-0.2 0, 0.0 -57,-0.1 -0.362 25.1-102.9 -63.4 151.8 -38.7 -4.0 -38.2 74 74 A D - 0 0 62 -58,-2.4 2,-0.1 1,-0.1 -61,-0.0 -0.170 52.8 -79.7 -59.8 161.1 -42.2 -5.6 -38.0 75 75 A D - 0 0 140 2,-0.0 2,-0.3 1,-0.0 -1,-0.1 -0.404 50.3-150.5 -62.8 141.7 -45.1 -3.4 -37.1 76 76 A I - 0 0 55 -3,-0.1 -55,-0.0 -2,-0.1 -1,-0.0 -0.886 13.4-161.8-116.7 153.9 -45.4 -2.7 -33.3 77 77 A H - 0 0 135 -2,-0.3 -2,-0.0 11,-0.1 -53,-0.0 -0.725 16.7-167.8-130.4 82.5 -48.5 -2.0 -31.2 78 78 A P - 0 0 57 0, 0.0 7,-0.1 0, 0.0 -53,-0.0 -0.278 21.8-113.3 -73.5 157.0 -47.5 -0.4 -27.9 79 79 A G - 0 0 8 1,-0.1 3,-0.1 3,-0.1 6,-0.0 -0.186 9.9-151.3 -74.9 177.2 -50.0 -0.1 -24.9 80 80 A T S S+ 0 0 93 1,-0.2 2,-0.3 -49,-0.0 -1,-0.1 0.382 81.8 39.7-129.2 -8.3 -51.2 3.3 -23.7 81 81 A T S > S- 0 0 55 1,-0.1 4,-2.2 0, 0.0 5,-0.2 -0.907 94.6-103.7-132.2 160.5 -51.8 2.3 -20.1 82 82 A V H > S+ 0 0 11 -2,-0.3 4,-2.4 1,-0.2 5,-0.2 0.939 121.7 50.6 -54.4 -45.9 -49.8 0.0 -17.8 83 83 A P H > S+ 0 0 67 0, 0.0 4,-2.2 0, 0.0 -1,-0.2 0.938 111.6 46.7 -59.4 -42.8 -52.3 -2.9 -18.3 84 84 A E H > S+ 0 0 92 1,-0.2 4,-2.4 2,-0.2 -2,-0.2 0.841 111.1 52.8 -65.3 -33.8 -52.2 -2.5 -22.1 85 85 A M H X S+ 0 0 0 -4,-2.2 4,-2.5 2,-0.2 -1,-0.2 0.934 109.5 47.1 -67.9 -47.8 -48.4 -2.4 -22.2 86 86 A L H X S+ 0 0 1 -4,-2.4 4,-2.1 -5,-0.2 -2,-0.2 0.943 114.2 48.5 -58.3 -47.9 -48.0 -5.5 -20.2 87 87 A E H X S+ 0 0 59 -4,-2.2 4,-2.6 -5,-0.2 -2,-0.2 0.876 110.2 51.8 -57.2 -40.7 -50.6 -7.3 -22.4 88 88 A A H X S+ 0 0 20 -4,-2.4 4,-2.2 1,-0.2 -1,-0.2 0.938 111.9 45.8 -66.7 -39.6 -48.8 -6.0 -25.5 89 89 A D H X S+ 0 0 4 -4,-2.5 4,-2.2 2,-0.2 -2,-0.2 0.825 109.9 54.4 -69.0 -31.7 -45.5 -7.4 -24.2 90 90 A L H X S+ 0 0 15 -4,-2.1 4,-1.9 2,-0.2 -2,-0.2 0.945 110.4 46.5 -65.8 -47.6 -47.2 -10.7 -23.3 91 91 A K H X S+ 0 0 81 -4,-2.6 4,-2.3 1,-0.2 -2,-0.2 0.906 111.5 53.5 -58.7 -41.8 -48.5 -11.0 -26.9 92 92 A L H X S+ 0 0 24 -4,-2.2 4,-2.8 1,-0.2 5,-0.2 0.932 109.9 44.5 -59.9 -50.6 -45.0 -10.1 -28.3 93 93 A E H X S+ 0 0 2 -4,-2.2 4,-2.4 2,-0.2 -1,-0.2 0.860 111.2 53.9 -69.0 -36.3 -43.1 -12.8 -26.4 94 94 A R H X S+ 0 0 145 -4,-1.9 4,-2.0 2,-0.2 -1,-0.2 0.928 112.1 46.6 -59.3 -45.1 -45.7 -15.4 -27.2 95 95 A H H X S+ 0 0 110 -4,-2.3 4,-2.6 2,-0.2 -2,-0.2 0.918 112.1 47.8 -61.3 -46.1 -45.2 -14.5 -30.9 96 96 A V H X S+ 0 0 11 -4,-2.8 4,-2.7 1,-0.2 5,-0.2 0.919 111.2 52.4 -66.0 -38.8 -41.4 -14.6 -30.7 97 97 A R H X S+ 0 0 83 -4,-2.4 4,-2.2 2,-0.2 -1,-0.2 0.917 111.3 46.6 -58.9 -47.2 -41.5 -17.9 -28.9 98 98 A A H X S+ 0 0 65 -4,-2.0 4,-1.8 1,-0.2 -2,-0.2 0.953 114.0 47.1 -62.6 -47.7 -43.7 -19.4 -31.6 99 99 A A H X S+ 0 0 18 -4,-2.6 4,-2.1 1,-0.2 -2,-0.2 0.864 111.8 51.0 -61.3 -41.8 -41.6 -18.0 -34.5 100 100 A L H X S+ 0 0 0 -4,-2.7 4,-2.6 -5,-0.2 -1,-0.2 0.930 107.1 52.8 -60.9 -47.5 -38.3 -19.2 -32.9 101 101 A A H X S+ 0 0 51 -4,-2.2 4,-1.9 1,-0.2 -2,-0.2 0.911 109.7 49.4 -58.6 -39.5 -39.7 -22.8 -32.4 102 102 A K H X S+ 0 0 91 -4,-1.8 4,-2.7 1,-0.2 -1,-0.2 0.928 111.8 48.4 -63.3 -44.8 -40.6 -22.9 -36.1 103 103 A G H X S+ 0 0 0 -4,-2.1 4,-2.4 1,-0.2 -2,-0.2 0.865 106.4 57.5 -65.1 -33.4 -37.1 -21.7 -37.1 104 104 A I H X S+ 0 0 18 -4,-2.6 4,-1.8 2,-0.2 -1,-0.2 0.928 110.6 43.0 -64.0 -40.5 -35.5 -24.2 -34.8 105 105 A A H X S+ 0 0 55 -4,-1.9 4,-2.5 1,-0.2 -2,-0.2 0.922 112.5 53.2 -71.9 -43.1 -37.3 -27.0 -36.7 106 106 A L H X S+ 0 0 26 -4,-2.7 4,-2.2 1,-0.2 -2,-0.2 0.884 107.6 51.3 -58.0 -38.2 -36.6 -25.5 -40.0 107 107 A C H <>S+ 0 0 3 -4,-2.4 5,-2.7 2,-0.2 -1,-0.2 0.920 109.1 51.0 -69.0 -40.1 -32.8 -25.3 -39.2 108 108 A E H ><5S+ 0 0 88 -4,-1.8 3,-1.9 1,-0.2 -2,-0.2 0.952 107.8 51.7 -61.2 -49.1 -32.8 -29.0 -38.2 109 109 A Q H 3<5S+ 0 0 130 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.887 113.6 44.3 -59.7 -36.7 -34.5 -30.0 -41.5 110 110 A H T 3<5S- 0 0 38 -4,-2.2 -1,-0.3 -5,-0.2 -2,-0.2 0.340 112.8-119.6 -88.2 14.7 -31.8 -28.1 -43.5 111 111 A K T < 5 + 0 0 113 -3,-1.9 2,-0.7 -4,-0.2 -3,-0.2 0.872 67.1 141.0 52.5 39.5 -29.0 -29.4 -41.3 112 112 A D >< + 0 0 21 -5,-2.7 4,-2.0 1,-0.2 -1,-0.2 -0.758 16.6 165.0-103.3 76.5 -27.9 -25.9 -40.2 113 113 A F H > + 0 0 108 -2,-0.7 4,-2.1 2,-0.2 -1,-0.2 0.822 69.3 54.7 -69.1 -29.1 -27.2 -26.9 -36.6 114 114 A V H > S+ 0 0 86 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.953 109.8 46.0 -70.5 -47.4 -25.2 -23.7 -35.7 115 115 A S H > S+ 0 0 1 1,-0.2 4,-2.0 2,-0.2 -2,-0.2 0.904 112.8 53.4 -57.7 -40.1 -28.1 -21.4 -36.8 116 116 A R H X S+ 0 0 66 -4,-2.0 4,-2.3 2,-0.2 -1,-0.2 0.894 105.7 50.9 -62.4 -44.3 -30.4 -23.7 -34.8 117 117 A D H X S+ 0 0 92 -4,-2.1 4,-2.0 1,-0.2 -1,-0.2 0.910 107.8 54.5 -63.7 -39.1 -28.2 -23.4 -31.7 118 118 A I H X S+ 0 0 45 -4,-2.2 4,-1.9 1,-0.2 -1,-0.2 0.914 110.7 45.6 -54.3 -46.9 -28.4 -19.6 -32.0 119 119 A L H X S+ 0 0 1 -4,-2.0 4,-2.3 2,-0.2 -2,-0.2 0.892 108.3 55.1 -68.5 -38.6 -32.2 -19.8 -32.1 120 120 A K H X S+ 0 0 97 -4,-2.3 4,-2.3 2,-0.2 -1,-0.2 0.879 108.5 50.1 -61.3 -37.9 -32.4 -22.2 -29.2 121 121 A A H X S+ 0 0 55 -4,-2.0 4,-2.2 1,-0.2 -1,-0.2 0.914 110.8 48.8 -64.5 -43.2 -30.4 -19.7 -27.0 122 122 A Q H X S+ 0 0 5 -4,-1.9 4,-2.6 2,-0.2 -2,-0.2 0.886 110.2 51.6 -65.0 -34.8 -32.6 -16.9 -28.0 123 123 A L H X S+ 0 0 30 -4,-2.3 4,-2.7 2,-0.2 5,-0.3 0.922 107.7 51.6 -66.3 -45.3 -35.7 -19.0 -27.2 124 124 A A H X S+ 0 0 49 -4,-2.3 4,-2.8 2,-0.2 5,-0.4 0.930 111.4 48.8 -55.7 -45.7 -34.3 -19.8 -23.7 125 125 A D H X>S+ 0 0 55 -4,-2.2 4,-1.8 1,-0.2 5,-1.5 0.943 111.5 49.6 -55.6 -51.1 -33.8 -16.0 -23.2 126 126 A T H <>S+ 0 0 2 -4,-2.6 5,-3.1 3,-0.2 6,-0.2 0.890 120.3 34.5 -61.3 -41.6 -37.3 -15.3 -24.4 127 127 A E H <>S+ 0 0 81 -4,-2.7 5,-2.1 3,-0.2 -2,-0.2 0.940 123.1 38.5 -76.2 -53.1 -38.9 -17.9 -22.0 128 128 A E H <5S+ 0 0 135 -4,-2.8 -3,-0.2 -5,-0.3 -2,-0.2 0.705 132.2 21.6 -84.0 -17.9 -36.8 -17.9 -18.9 129 129 A D T X5S+ 0 0 42 -4,-1.8 4,-2.7 -5,-0.4 5,-0.3 0.748 130.4 29.0-109.4 -67.7 -36.2 -14.2 -18.8 130 130 A H H > S+ 0 0 50 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.880 123.5 54.1 -57.7 -41.7 -52.7 -2.7 -9.6 147 147 A E H > S+ 0 0 150 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.912 110.7 43.9 -64.1 -46.1 -52.2 0.2 -7.2 148 148 A N H > S+ 0 0 92 -4,-0.4 4,-1.7 1,-0.2 -1,-0.2 0.905 114.5 51.6 -62.9 -40.6 -50.0 -1.6 -4.7 149 149 A Y H < S+ 0 0 0 -4,-2.1 4,-0.4 1,-0.2 3,-0.3 0.935 109.4 47.3 -66.4 -45.9 -48.0 -3.2 -7.5 150 150 A L H >< S+ 0 0 30 -4,-2.7 3,-1.0 1,-0.2 4,-0.2 0.841 107.2 58.5 -66.4 -34.6 -47.3 0.2 -9.3 151 151 A Q H >< S+ 0 0 133 -4,-1.9 3,-1.3 1,-0.2 -1,-0.2 0.906 102.4 54.2 -54.5 -44.2 -46.3 1.7 -6.0 152 152 A S T 3< S+ 0 0 51 -4,-1.7 -1,-0.2 -3,-0.3 -2,-0.2 0.574 103.3 58.4 -68.2 -11.2 -43.6 -1.0 -5.7 153 153 A Q T < 0 0 20 -3,-1.0 -114,-2.1 -4,-0.4 -113,-0.8 0.380 360.0 360.0-101.3 -1.7 -42.2 -0.1 -9.2 154 154 A I < 0 0 112 -3,-1.3 -117,-0.2 -4,-0.2 -118,-0.1 -0.337 360.0 360.0 -56.8 360.0 -41.4 3.5 -8.4