==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER IRON STORAGE 28-MAY-96 1IER . COMPND 2 MOLECULE: FERRITIN; . SOURCE 2 ORGANISM_SCIENTIFIC: EQUUS CABALLUS; . AUTHOR T.GRANIER,B.GALLOIS,A.DAUTANT,B.LANGLOIS D'ESTAINTOT,G.PRECI . 174 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9796.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 134 77.0 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 2.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 4 2.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 117 67.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 4.0 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 1 1 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 1 2 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 1 A S 0 0 150 0, 0.0 73,-0.1 0, 0.0 72,-0.0 0.000 360.0 360.0 360.0-151.2 54.6 18.4 23.8 2 2 A S - 0 0 28 71,-0.4 3,-0.0 1,-0.2 72,-0.0 -0.278 360.0-142.5 -61.1 141.3 51.6 18.0 21.6 3 3 A Q S S+ 0 0 187 1,-0.2 -1,-0.2 3,-0.0 70,-0.0 0.595 105.8 49.8 -71.6 -18.3 51.5 19.8 18.3 4 4 A I S S+ 0 0 94 69,-0.0 -1,-0.2 2,-0.0 69,-0.1 0.676 82.2 110.4 -91.6 -34.2 47.8 20.2 19.0 5 5 A R + 0 0 55 68,-0.2 2,-0.3 2,-0.0 68,-0.2 -0.222 35.7 160.0 -59.6 125.0 48.0 21.6 22.6 6 6 A Q - 0 0 164 66,-0.6 3,-0.1 3,-0.0 -3,-0.0 -0.834 66.0 -9.1-149.2 130.5 47.0 25.2 23.0 7 7 A N S S+ 0 0 97 -2,-0.3 2,-0.6 1,-0.2 -2,-0.0 0.735 93.0 128.2 56.1 33.8 45.8 27.1 26.1 8 8 A Y - 0 0 8 64,-0.1 -1,-0.2 65,-0.0 -3,-0.0 -0.909 47.9-150.4-122.6 97.8 45.6 23.8 28.0 9 9 A S > - 0 0 24 -2,-0.6 4,-2.3 1,-0.1 5,-0.1 -0.268 22.8-122.7 -72.6 162.9 47.5 24.0 31.3 10 10 A T H > S+ 0 0 87 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.768 112.3 59.7 -71.5 -29.8 49.2 21.2 33.1 11 11 A E H > S+ 0 0 95 2,-0.2 4,-1.9 3,-0.2 -1,-0.2 0.903 109.3 41.6 -63.9 -43.9 47.0 22.0 36.2 12 12 A V H > S+ 0 0 0 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.956 113.4 53.6 -67.2 -45.1 43.8 21.4 34.2 13 13 A E H X S+ 0 0 27 -4,-2.3 4,-1.9 1,-0.3 -2,-0.2 0.877 112.4 44.6 -57.3 -46.2 45.3 18.3 32.5 14 14 A A H X S+ 0 0 57 -4,-2.3 4,-1.8 1,-0.2 -1,-0.3 0.853 113.6 50.1 -64.2 -46.0 46.2 16.8 35.9 15 15 A A H X S+ 0 0 23 -4,-1.9 4,-2.1 2,-0.2 -2,-0.2 0.854 107.4 53.5 -61.1 -35.9 42.8 17.8 37.3 16 16 A V H X S+ 0 0 0 -4,-2.6 4,-2.1 2,-0.2 -2,-0.2 0.875 109.2 50.2 -63.7 -39.9 41.0 16.1 34.4 17 17 A N H X S+ 0 0 18 -4,-1.9 4,-1.9 -5,-0.2 -1,-0.2 0.874 109.5 49.9 -65.8 -35.4 42.9 12.9 35.1 18 18 A R H X S+ 0 0 135 -4,-1.8 4,-2.0 1,-0.2 -1,-0.2 0.926 110.1 51.5 -68.0 -40.3 41.9 13.1 38.7 19 19 A L H X S+ 0 0 2 -4,-2.1 4,-2.3 2,-0.2 -2,-0.2 0.866 105.2 55.2 -68.2 -29.4 38.3 13.6 37.7 20 20 A V H X S+ 0 0 3 -4,-2.1 4,-2.5 1,-0.2 5,-0.2 0.942 107.4 50.2 -64.1 -48.1 38.4 10.5 35.4 21 21 A N H X S+ 0 0 42 -4,-1.9 4,-2.5 1,-0.2 -1,-0.2 0.917 110.3 51.3 -55.6 -41.4 39.6 8.4 38.3 22 22 A L H X S+ 0 0 44 -4,-2.0 4,-2.0 2,-0.2 -2,-0.2 0.899 110.4 46.0 -65.4 -40.3 36.7 9.8 40.4 23 23 A Y H X S+ 0 0 4 -4,-2.3 4,-3.0 2,-0.2 -2,-0.2 0.921 113.5 50.2 -67.0 -38.8 34.0 9.0 37.8 24 24 A L H X S+ 0 0 42 -4,-2.5 4,-2.3 1,-0.3 -2,-0.2 0.901 112.3 46.8 -68.3 -37.3 35.4 5.5 37.3 25 25 A R H X S+ 0 0 73 -4,-2.5 4,-2.2 -5,-0.2 -1,-0.3 0.834 111.4 51.9 -69.4 -42.3 35.4 5.0 41.1 26 26 A A H X S+ 0 0 1 -4,-2.0 4,-2.2 -5,-0.2 -2,-0.2 0.936 109.8 49.8 -56.1 -42.5 31.8 6.4 41.2 27 27 A S H X S+ 0 0 20 -4,-3.0 4,-2.0 1,-0.2 -2,-0.2 0.926 109.6 51.2 -60.4 -44.7 30.9 3.9 38.4 28 28 A Y H X S+ 0 0 99 -4,-2.3 4,-2.0 1,-0.2 -1,-0.2 0.908 109.1 50.7 -62.2 -43.1 32.6 1.0 40.5 29 29 A T H X S+ 0 0 9 -4,-2.2 4,-2.7 1,-0.2 -1,-0.2 0.912 109.9 49.9 -57.9 -46.0 30.6 2.0 43.6 30 30 A Y H X S+ 0 0 0 -4,-2.2 4,-2.8 2,-0.2 -2,-0.2 0.826 106.5 55.5 -67.6 -29.3 27.3 2.0 41.6 31 31 A L H X S+ 0 0 75 -4,-2.0 4,-2.6 2,-0.2 -1,-0.2 0.941 111.5 44.9 -63.4 -45.1 28.1 -1.5 40.2 32 32 A S H X S+ 0 0 32 -4,-2.0 4,-1.5 1,-0.2 -2,-0.2 0.908 113.1 49.3 -61.5 -51.1 28.5 -2.6 43.8 33 33 A L H X S+ 0 0 1 -4,-2.7 4,-1.2 2,-0.2 -2,-0.2 0.895 112.2 49.9 -54.1 -47.3 25.3 -0.9 44.9 34 34 A G H < S+ 0 0 0 -4,-2.8 4,-0.5 1,-0.2 3,-0.4 0.946 111.3 46.3 -60.9 -47.3 23.3 -2.4 41.9 35 35 A F H < S+ 0 0 88 -4,-2.6 3,-0.5 1,-0.2 -1,-0.2 0.771 105.0 61.2 -73.0 -24.4 24.4 -6.0 42.5 36 36 A Y H >< S+ 0 0 22 -4,-1.5 3,-1.4 1,-0.2 7,-0.3 0.887 103.6 50.2 -63.1 -37.6 23.7 -5.8 46.2 37 37 A F T 3< S+ 0 0 0 -4,-1.2 7,-1.9 -3,-0.4 11,-0.3 0.541 102.6 62.2 -81.5 -3.4 20.1 -5.1 45.5 38 38 A D T 3 S+ 0 0 100 -3,-0.5 -1,-0.3 -4,-0.5 -2,-0.2 0.483 78.1 115.8 -93.2 -7.8 20.1 -8.1 43.2 39 39 A R S X> S- 0 0 77 -3,-1.4 4,-3.2 -4,-0.2 3,-2.2 -0.411 76.2-124.6 -58.3 139.8 20.9 -10.4 46.2 40 40 A D T 34 S+ 0 0 152 1,-0.3 -1,-0.1 2,-0.2 -3,-0.0 0.769 113.3 52.6 -63.2 -26.4 18.1 -13.0 46.9 41 41 A D T 34 S+ 0 0 99 1,-0.1 -1,-0.3 2,-0.0 -2,-0.1 0.370 121.1 29.7 -89.8 4.5 18.0 -11.7 50.4 42 42 A V T <4 S+ 0 0 31 -3,-2.2 -2,-0.2 -6,-0.1 -5,-0.1 0.625 80.7 171.8-117.6 -56.6 17.6 -8.1 49.3 43 43 A A < + 0 0 65 -4,-3.2 2,-0.7 -7,-0.3 -5,-0.2 0.778 14.9 145.6 54.4 57.4 15.8 -8.6 46.1 44 44 A L >> - 0 0 16 -7,-1.9 4,-2.4 1,-0.2 3,-0.5 -0.724 21.3-178.1-129.1 84.2 14.8 -5.1 45.0 45 45 A E H 3> S+ 0 0 122 -2,-0.7 4,-2.5 1,-0.2 -1,-0.2 0.885 77.7 54.2 -50.4 -47.0 15.0 -5.2 41.3 46 46 A G H 3> S+ 0 0 8 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.874 109.9 47.8 -61.6 -35.9 14.0 -1.6 40.7 47 47 A V H <> S+ 0 0 0 -3,-0.5 4,-2.3 2,-0.2 -1,-0.2 0.896 110.0 53.1 -73.4 -39.0 16.8 -0.3 43.0 48 48 A C H X S+ 0 0 11 -4,-2.4 4,-2.4 -11,-0.3 -2,-0.2 0.931 111.2 46.3 -59.8 -45.0 19.3 -2.6 41.3 49 49 A H H X S+ 0 0 127 -4,-2.5 4,-2.3 -5,-0.2 5,-0.2 0.921 108.0 56.5 -65.7 -43.1 18.3 -1.2 37.9 50 50 A F H X S+ 0 0 15 -4,-2.2 4,-1.6 1,-0.2 -2,-0.2 0.932 113.6 40.4 -55.0 -44.5 18.5 2.4 39.3 51 51 A F H X S+ 0 0 0 -4,-2.3 4,-2.1 1,-0.2 -1,-0.2 0.854 112.1 53.5 -78.7 -28.2 22.1 1.9 40.4 52 52 A R H X S+ 0 0 125 -4,-2.4 4,-1.6 2,-0.2 -1,-0.2 0.857 107.0 52.7 -75.3 -32.5 23.3 -0.1 37.4 53 53 A E H X S+ 0 0 95 -4,-2.3 4,-2.6 2,-0.2 -2,-0.2 0.932 110.4 49.4 -61.9 -42.7 22.0 2.6 35.0 54 54 A L H X S+ 0 0 6 -4,-1.6 4,-2.8 -5,-0.2 5,-0.2 0.897 105.1 57.3 -64.3 -34.8 24.1 5.2 37.1 55 55 A A H X S+ 0 0 10 -4,-2.1 4,-2.1 2,-0.2 -1,-0.2 0.943 109.9 45.3 -60.2 -42.2 27.1 2.9 36.8 56 56 A E H X S+ 0 0 94 -4,-1.6 4,-2.9 1,-0.2 -2,-0.2 0.940 111.4 51.2 -65.9 -48.5 26.9 3.1 33.1 57 57 A E H X S+ 0 0 57 -4,-2.6 4,-2.4 2,-0.2 -1,-0.2 0.936 111.0 48.4 -57.2 -43.1 26.3 6.9 33.0 58 58 A K H X S+ 0 0 1 -4,-2.8 4,-1.9 2,-0.2 -1,-0.2 0.903 110.3 51.7 -68.3 -32.1 29.4 7.4 35.3 59 59 A R H X S+ 0 0 87 -4,-2.1 4,-2.1 -5,-0.2 -1,-0.2 0.921 110.1 49.3 -66.6 -41.1 31.5 5.2 33.0 60 60 A E H X S+ 0 0 79 -4,-2.9 4,-1.9 1,-0.2 -2,-0.2 0.919 105.6 57.3 -65.6 -34.9 30.3 7.3 30.1 61 61 A G H X S+ 0 0 10 -4,-2.4 4,-1.4 1,-0.2 -2,-0.2 0.891 108.4 47.4 -59.7 -40.2 31.2 10.5 32.0 62 62 A A H X S+ 0 0 0 -4,-1.9 4,-2.5 1,-0.2 -1,-0.2 0.903 108.6 53.0 -69.8 -41.4 34.8 9.3 32.3 63 63 A E H X S+ 0 0 100 -4,-2.1 4,-2.5 1,-0.2 -1,-0.2 0.893 107.8 52.1 -61.9 -37.0 35.1 8.3 28.7 64 64 A R H X S+ 0 0 137 -4,-1.9 4,-2.0 2,-0.2 -1,-0.2 0.868 109.6 49.4 -64.6 -38.2 33.9 11.8 27.7 65 65 A L H X S+ 0 0 0 -4,-1.4 4,-2.6 2,-0.2 -2,-0.2 0.895 110.1 51.0 -69.4 -34.9 36.6 13.3 29.8 66 66 A L H X S+ 0 0 38 -4,-2.5 4,-1.9 1,-0.2 -2,-0.2 0.892 109.3 50.3 -70.4 -36.5 39.1 11.0 28.3 67 67 A K H X S+ 0 0 139 -4,-2.5 4,-1.8 2,-0.2 -1,-0.2 0.913 111.9 48.6 -64.7 -44.2 38.1 12.0 24.8 68 68 A M H X S+ 0 0 1 -4,-2.0 4,-1.9 2,-0.2 6,-0.2 0.898 106.3 56.8 -65.0 -38.8 38.3 15.7 25.8 69 69 A Q H X>S+ 0 0 0 -4,-2.6 5,-2.5 1,-0.2 4,-0.9 0.943 110.4 43.7 -56.1 -48.8 41.8 15.1 27.3 70 70 A N H <5S+ 0 0 98 -4,-1.9 3,-0.3 1,-0.2 -1,-0.2 0.823 109.8 57.2 -64.8 -36.9 43.0 13.8 23.9 71 71 A Q H <5S+ 0 0 121 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.802 109.2 45.1 -63.7 -31.3 41.3 16.5 22.0 72 72 A R H <5S- 0 0 27 -4,-1.9 -66,-0.6 -3,-0.3 -1,-0.2 0.680 119.5-107.9 -91.0 -5.9 43.2 19.1 24.0 73 73 A G T <5S+ 0 0 1 -4,-0.9 -71,-0.4 -3,-0.3 -3,-0.2 0.523 73.2 138.3 88.2 13.0 46.5 17.4 23.7 74 74 A G < - 0 0 0 -5,-2.5 2,-0.5 -6,-0.2 -1,-0.3 -0.383 51.8-120.7 -82.3 165.3 46.6 16.3 27.3 75 75 A R - 0 0 129 -2,-0.1 2,-0.2 -3,-0.1 -58,-0.1 -0.951 17.6-130.1-114.8 132.2 47.8 12.8 28.3 76 76 A A - 0 0 34 -2,-0.5 2,-0.4 -10,-0.1 -62,-0.1 -0.495 23.3-174.2 -76.2 134.3 45.6 10.4 30.2 77 77 A L - 0 0 113 -2,-0.2 2,-0.3 -63,-0.1 -2,-0.0 -0.998 10.8-151.6-131.1 123.1 47.2 8.8 33.3 78 78 A F - 0 0 122 -2,-0.4 2,-0.3 -58,-0.1 -60,-0.1 -0.716 9.2-166.1 -94.5 146.2 45.3 6.1 35.1 79 79 A Q - 0 0 133 -2,-0.3 -2,-0.0 -62,-0.1 0, 0.0 -0.788 38.4 -73.5-121.3 172.5 45.5 5.2 38.7 80 80 A D - 0 0 148 -2,-0.3 2,-0.7 1,-0.1 -1,-0.1 -0.319 47.6-127.0 -64.2 140.5 44.4 2.3 40.9 81 81 A L - 0 0 68 -57,-0.1 2,-0.1 -3,-0.1 -1,-0.1 -0.902 21.2-132.0 -94.3 113.7 40.6 2.3 41.4 82 82 A Q - 0 0 128 -2,-0.7 3,-0.1 1,-0.1 -54,-0.1 -0.438 25.2-111.9 -62.4 135.9 39.8 2.1 45.0 83 83 A K - 0 0 124 1,-0.1 -1,-0.1 -2,-0.1 -54,-0.1 -0.221 49.3 -77.4 -63.6 157.9 37.2 -0.5 45.8 84 84 A P - 0 0 10 0, 0.0 -1,-0.1 0, 0.0 -58,-0.1 -0.168 40.3-117.0 -58.5 149.8 33.8 0.8 47.1 85 85 A S S S+ 0 0 90 -3,-0.1 2,-0.3 2,-0.0 -2,-0.1 0.657 94.1 34.9 -64.6 -19.7 33.7 2.0 50.6 86 86 A Q - 0 0 90 1,-0.1 3,-0.1 -57,-0.1 -1,-0.0 -0.959 53.2-160.5-135.8 154.5 31.1 -0.7 51.6 87 87 A D S S+ 0 0 120 -2,-0.3 2,-0.4 1,-0.3 -1,-0.1 0.725 89.7 38.3 -98.9 -31.4 30.3 -4.2 50.7 88 88 A E - 0 0 115 1,-0.0 -1,-0.3 -52,-0.0 -55,-0.1 -0.962 67.6-162.2-118.9 143.9 26.8 -4.3 52.0 89 89 A W - 0 0 4 -2,-0.4 2,-0.4 1,-0.3 9,-0.2 0.361 20.6-145.3-119.2 11.3 24.6 -1.2 51.5 90 90 A G - 0 0 32 4,-0.1 -1,-0.3 5,-0.1 2,-0.2 -0.552 55.0 -7.8 69.8-141.2 21.8 -1.6 54.0 91 91 A T S > S- 0 0 53 -2,-0.4 4,-3.1 1,-0.1 5,-0.2 -0.509 72.6 -99.6 -86.8 168.5 18.4 -0.4 53.0 92 92 A T H > S+ 0 0 2 2,-0.2 4,-2.8 1,-0.2 5,-0.2 0.887 126.6 52.6 -57.7 -36.0 17.2 1.7 50.0 93 93 A L H > S+ 0 0 25 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.955 111.6 45.6 -66.8 -45.9 17.3 4.8 52.3 94 94 A D H > S+ 0 0 80 1,-0.2 4,-2.1 2,-0.2 -2,-0.2 0.911 115.1 46.3 -61.8 -49.6 20.8 4.0 53.3 95 95 A A H X S+ 0 0 0 -4,-3.1 4,-2.5 2,-0.2 -2,-0.2 0.884 112.7 49.8 -63.2 -37.5 21.9 3.3 49.7 96 96 A M H X S+ 0 0 0 -4,-2.8 4,-2.2 -5,-0.2 -2,-0.2 0.869 110.8 50.1 -68.7 -34.9 20.2 6.5 48.4 97 97 A K H X S+ 0 0 93 -4,-2.3 4,-1.8 2,-0.2 -1,-0.2 0.887 111.8 48.0 -67.7 -47.3 21.8 8.6 51.1 98 98 A A H X S+ 0 0 27 -4,-2.1 4,-1.9 -5,-0.2 -2,-0.2 0.912 111.4 51.6 -58.1 -41.8 25.2 7.1 50.2 99 99 A A H X S+ 0 0 0 -4,-2.5 4,-3.0 1,-0.2 -2,-0.2 0.889 107.5 51.6 -63.6 -38.1 24.5 7.8 46.5 100 100 A I H X S+ 0 0 26 -4,-2.2 4,-2.4 1,-0.2 -1,-0.2 0.912 110.4 46.8 -73.2 -31.2 23.6 11.5 47.2 101 101 A V H X S+ 0 0 87 -4,-1.8 4,-2.0 2,-0.2 -1,-0.2 0.889 111.8 53.1 -72.5 -36.7 26.8 12.2 49.1 102 102 A L H X S+ 0 0 35 -4,-1.9 4,-1.8 1,-0.2 -2,-0.2 0.943 111.4 46.5 -57.0 -47.6 28.7 10.4 46.3 103 103 A E H X S+ 0 0 0 -4,-3.0 4,-2.4 1,-0.2 -2,-0.2 0.869 108.7 53.3 -67.8 -35.0 27.1 12.6 43.8 104 104 A K H X S+ 0 0 125 -4,-2.4 4,-2.5 1,-0.2 -1,-0.2 0.847 107.6 53.9 -66.5 -36.1 27.7 15.8 45.8 105 105 A S H X S+ 0 0 72 -4,-2.0 4,-2.0 2,-0.2 -1,-0.2 0.906 109.9 45.6 -56.4 -51.4 31.4 14.9 45.9 106 106 A L H X S+ 0 0 3 -4,-1.8 4,-2.0 2,-0.2 -2,-0.2 0.899 112.3 51.8 -60.5 -37.9 31.5 14.5 42.1 107 107 A N H X S+ 0 0 29 -4,-2.4 4,-2.2 1,-0.2 -2,-0.2 0.905 108.4 51.6 -71.1 -34.0 29.7 17.8 41.7 108 108 A Q H X S+ 0 0 98 -4,-2.5 4,-2.8 1,-0.2 -1,-0.2 0.926 108.1 51.6 -65.2 -40.0 32.1 19.5 44.0 109 109 A A H X S+ 0 0 6 -4,-2.0 4,-2.4 2,-0.2 -1,-0.2 0.891 109.8 50.2 -63.5 -34.5 35.0 18.2 41.9 110 110 A L H X S+ 0 0 0 -4,-2.0 4,-2.6 2,-0.2 -2,-0.2 0.914 111.0 48.7 -66.7 -43.1 33.3 19.6 38.8 111 111 A L H X S+ 0 0 75 -4,-2.2 4,-2.0 1,-0.2 -2,-0.2 0.850 112.1 48.4 -62.5 -46.7 32.9 22.9 40.5 112 112 A D H X S+ 0 0 79 -4,-2.8 4,-2.1 2,-0.2 -1,-0.2 0.881 110.5 50.9 -60.1 -48.1 36.5 22.9 41.6 113 113 A L H X S+ 0 0 7 -4,-2.4 4,-2.7 -5,-0.2 -2,-0.2 0.920 110.4 50.4 -56.3 -38.5 37.6 22.0 38.0 114 114 A H H X S+ 0 0 34 -4,-2.6 4,-2.4 2,-0.2 -1,-0.2 0.858 107.5 52.5 -64.7 -47.2 35.5 24.8 36.6 115 115 A A H X S+ 0 0 58 -4,-2.0 4,-2.6 2,-0.2 -1,-0.2 0.948 111.6 48.1 -51.4 -45.3 37.1 27.3 39.1 116 116 A L H X S+ 0 0 45 -4,-2.1 4,-2.9 2,-0.2 -2,-0.2 0.881 109.2 50.7 -61.2 -47.8 40.4 26.2 37.9 117 117 A G H <>S+ 0 0 0 -4,-2.7 5,-3.8 1,-0.2 -1,-0.2 0.848 113.4 47.7 -59.3 -37.3 39.5 26.5 34.2 118 118 A S H ><5S+ 0 0 68 -4,-2.4 3,-0.9 3,-0.2 -2,-0.2 0.906 113.0 47.3 -67.9 -47.7 38.3 30.0 35.0 119 119 A A H 3<5S+ 0 0 84 -4,-2.6 -2,-0.2 1,-0.2 -3,-0.2 0.796 115.8 45.0 -60.2 -34.7 41.5 30.8 36.9 120 120 A Q T 3<5S- 0 0 71 -4,-2.9 -1,-0.2 -5,-0.1 -2,-0.2 0.343 113.2-124.5 -85.3 -4.5 43.6 29.4 34.1 121 121 A A T < 5 + 0 0 66 -3,-0.9 -3,-0.2 1,-0.2 -4,-0.1 0.910 55.5 153.2 55.4 63.2 41.3 31.3 31.6 122 122 A D >< + 0 0 2 -5,-3.8 4,-1.8 1,-0.2 3,-0.4 -0.766 17.7 176.5-121.1 83.8 40.4 28.2 29.7 123 123 A P H > S+ 0 0 91 0, 0.0 4,-2.6 0, 0.0 -1,-0.2 0.853 76.8 58.4 -58.7 -35.2 37.0 28.9 28.1 124 124 A H H > S+ 0 0 70 2,-0.2 4,-2.9 1,-0.2 5,-0.1 0.892 107.1 47.1 -64.6 -45.5 36.7 25.7 26.2 125 125 A L H > S+ 0 0 0 -3,-0.4 4,-2.6 2,-0.2 5,-0.2 0.931 112.5 49.6 -59.2 -41.6 37.0 23.6 29.4 126 126 A C H X S+ 0 0 13 -4,-1.8 4,-2.2 2,-0.2 -2,-0.2 0.895 111.8 49.4 -60.8 -48.9 34.5 25.7 31.1 127 127 A D H X S+ 0 0 94 -4,-2.6 4,-2.5 2,-0.2 5,-0.2 0.955 110.6 50.9 -52.3 -47.7 32.2 25.3 28.0 128 128 A F H X S+ 0 0 14 -4,-2.9 4,-1.4 1,-0.2 5,-0.2 0.871 111.8 46.2 -57.9 -45.1 32.8 21.5 28.1 129 129 A L H X>S+ 0 0 0 -4,-2.6 5,-2.5 2,-0.2 4,-2.0 0.904 112.5 49.1 -69.0 -39.9 31.9 21.3 31.8 130 130 A E H <>S+ 0 0 99 -4,-2.2 5,-1.0 1,-0.2 -2,-0.2 0.953 114.2 46.0 -63.2 -51.5 28.8 23.4 31.6 131 131 A S H <5S+ 0 0 77 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.727 127.2 20.0 -63.0 -33.8 27.4 21.5 28.6 132 132 A H H <5S+ 0 0 72 -4,-1.4 -1,-0.2 -5,-0.2 -2,-0.2 0.614 131.2 19.9-116.9 -13.2 28.0 17.9 29.7 133 133 A F T X5S+ 0 0 7 -4,-2.0 4,-2.4 -5,-0.2 -3,-0.2 0.732 106.5 62.5-127.7 -43.3 28.4 17.6 33.5 134 134 A L H > S+ 0 0 82 1,-0.2 4,-2.4 2,-0.2 -2,-0.2 0.905 109.0 50.1 -61.5 -40.6 23.2 16.6 34.6 137 137 A E H X S+ 0 0 0 -4,-2.4 4,-2.6 2,-0.2 -1,-0.2 0.917 111.2 48.7 -62.1 -47.1 24.7 16.7 38.1 138 138 A V H X S+ 0 0 85 -4,-1.8 4,-2.2 1,-0.2 -2,-0.2 0.941 113.4 46.3 -60.1 -48.5 22.1 19.2 39.2 139 139 A K H X S+ 0 0 137 -4,-3.1 4,-2.0 2,-0.2 -2,-0.2 0.863 114.1 48.6 -59.7 -39.7 19.2 17.2 37.7 140 140 A L H X S+ 0 0 16 -4,-2.4 4,-2.7 2,-0.2 5,-0.2 0.898 110.7 48.7 -68.4 -40.8 20.5 13.9 39.2 141 141 A I H X S+ 0 0 31 -4,-2.6 4,-2.4 1,-0.2 -1,-0.2 0.901 111.3 51.4 -66.9 -36.9 21.0 15.3 42.7 142 142 A K H X S+ 0 0 129 -4,-2.2 4,-2.7 -5,-0.2 -1,-0.2 0.900 110.8 49.1 -65.9 -43.0 17.5 16.8 42.6 143 143 A K H X S+ 0 0 76 -4,-2.0 4,-2.4 2,-0.2 -2,-0.2 0.948 112.1 47.5 -54.6 -47.4 16.1 13.4 41.5 144 144 A M H X S+ 0 0 0 -4,-2.7 4,-2.6 2,-0.2 -2,-0.2 0.867 110.6 53.1 -62.7 -37.5 17.9 11.7 44.4 145 145 A G H X S+ 0 0 24 -4,-2.4 4,-2.5 2,-0.2 -2,-0.2 0.960 108.6 49.0 -61.2 -45.7 16.6 14.3 46.7 146 146 A D H X S+ 0 0 67 -4,-2.7 4,-2.1 1,-0.2 -1,-0.2 0.878 111.3 49.8 -60.2 -49.1 13.1 13.7 45.6 147 147 A H H X S+ 0 0 10 -4,-2.4 4,-2.8 2,-0.2 -1,-0.2 0.938 107.7 53.7 -55.4 -43.3 13.6 9.9 46.1 148 148 A L H X S+ 0 0 23 -4,-2.6 4,-2.5 1,-0.2 -2,-0.2 0.890 108.0 51.4 -60.4 -39.1 15.0 10.4 49.6 149 149 A T H X S+ 0 0 71 -4,-2.5 4,-1.8 1,-0.2 -1,-0.2 0.944 113.0 44.7 -61.9 -45.0 11.9 12.4 50.5 150 150 A N H X S+ 0 0 56 -4,-2.1 4,-1.9 2,-0.2 -2,-0.2 0.860 111.9 50.5 -66.5 -42.1 9.6 9.7 49.3 151 151 A I H X S+ 0 0 2 -4,-2.8 4,-3.3 2,-0.2 5,-0.4 0.955 110.8 50.2 -60.8 -45.5 11.5 6.8 50.9 152 152 A Q H X S+ 0 0 93 -4,-2.5 4,-1.6 1,-0.2 -2,-0.2 0.881 108.9 52.7 -60.1 -40.6 11.5 8.7 54.3 153 153 A R H X S+ 0 0 147 -4,-1.8 4,-0.7 2,-0.2 -1,-0.2 0.898 117.5 37.8 -55.6 -42.1 7.7 9.2 54.0 154 154 A L H X S+ 0 0 49 -4,-1.9 4,-1.8 1,-0.2 3,-0.3 0.868 117.5 46.0 -80.9 -44.8 7.2 5.6 53.4 155 155 A V H < S+ 0 0 41 -4,-3.3 4,-0.4 1,-0.2 -1,-0.2 0.734 104.9 64.5 -77.3 -16.5 9.7 4.1 55.7 156 156 A G H < S+ 0 0 66 -4,-1.6 -1,-0.2 -5,-0.4 -2,-0.2 0.865 112.1 36.6 -68.9 -37.3 8.5 6.6 58.4 157 157 A S H < S- 0 0 99 -4,-0.7 2,-0.4 -3,-0.3 -2,-0.2 0.962 140.5 -11.2 -76.2 -70.3 5.1 4.8 58.3 158 158 A Q X - 0 0 135 -4,-1.8 4,-3.4 1,-0.2 5,-0.2 -0.844 64.4-155.6-142.9 103.1 5.8 1.0 57.7 159 159 A A H > S+ 0 0 54 -4,-0.4 4,-2.4 -2,-0.4 -1,-0.2 0.823 85.9 38.2 -50.2 -61.2 9.4 0.1 56.8 160 160 A G H > S+ 0 0 57 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.925 122.7 44.1 -61.6 -46.2 9.2 -3.2 54.9 161 161 A L H > S+ 0 0 112 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.920 111.9 55.3 -62.0 -41.4 6.0 -2.3 53.1 162 162 A G H X S+ 0 0 2 -4,-3.4 4,-2.3 -8,-0.3 5,-0.2 0.918 107.3 47.8 -60.8 -45.4 7.4 1.2 52.4 163 163 A E H X S+ 0 0 35 -4,-2.4 4,-1.9 -5,-0.2 -1,-0.3 0.836 111.8 49.9 -62.3 -42.8 10.5 -0.0 50.7 164 164 A Y H X S+ 0 0 128 -4,-1.5 4,-3.0 -3,-0.2 -2,-0.2 0.933 111.5 48.3 -63.8 -50.1 8.6 -2.5 48.5 165 165 A L H X>S+ 0 0 56 -4,-2.7 4,-4.4 1,-0.2 5,-0.5 0.888 110.3 51.8 -60.3 -38.6 6.0 0.1 47.4 166 166 A F H X>S+ 0 0 2 -4,-2.3 4,-2.3 -5,-0.2 5,-2.1 0.949 114.0 42.9 -64.2 -48.1 8.8 2.6 46.5 167 167 A E H <>S+ 0 0 4 -4,-1.9 5,-2.9 -5,-0.2 6,-0.2 0.937 120.4 43.9 -63.5 -39.8 10.6 0.0 44.4 168 168 A R H <5S+ 0 0 48 -4,-3.0 -2,-0.2 3,-0.2 -3,-0.2 0.917 126.5 26.0 -69.5 -50.5 7.3 -1.1 42.9 169 169 A L H <5S+ 0 0 107 -4,-4.4 -3,-0.2 3,-0.2 -2,-0.2 0.640 131.6 27.6-101.4 -20.1 5.7 2.3 42.2 170 170 A T T <