==== 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 26-FEB-97 1AEW . COMPND 2 MOLECULE: FERRITIN; . SOURCE 2 ORGANISM_SCIENTIFIC: EQUUS CABALLUS; . AUTHOR P.D.HEMPSTEAD,S.J.YEWDALL,D.M.LAWSON,P.M.HARRISON,P.J.ARTYMI . 170 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9861.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 131 77.1 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 . 2 1.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 5 2.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 118 69.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 2.9 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 1 1 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 1 1 1 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 6 A S 0 0 130 0, 0.0 72,-0.0 0, 0.0 71,-0.0 0.000 360.0 360.0 360.0 -25.1 22.2 -19.6 52.8 2 7 A Q + 0 0 199 1,-0.2 70,-0.0 70,-0.1 0, 0.0 0.862 360.0 18.4 -61.4 -40.4 18.4 -19.8 51.9 3 8 A I S S+ 0 0 111 69,-0.1 -1,-0.2 2,-0.0 2,-0.1 0.564 95.5 119.4-106.3 -16.2 19.1 -20.7 48.3 4 9 A R + 0 0 70 68,-0.2 2,-0.3 2,-0.0 68,-0.1 -0.323 33.5 162.9 -59.8 127.6 22.8 -21.8 48.5 5 10 A Q - 0 0 158 66,-0.5 3,-0.1 -2,-0.1 -3,-0.0 -0.911 62.9 -12.1-152.6 121.2 23.3 -25.4 47.4 6 11 A N S S+ 0 0 98 -2,-0.3 2,-0.6 1,-0.2 -2,-0.0 0.832 91.3 133.4 61.8 31.9 26.4 -27.3 46.3 7 12 A Y - 0 0 12 64,-0.1 -1,-0.2 65,-0.0 114,-0.0 -0.887 46.1-148.1-119.1 98.8 28.3 -24.1 46.2 8 13 A S > - 0 0 19 -2,-0.6 4,-2.1 1,-0.1 5,-0.1 -0.209 19.0-127.4 -67.0 155.2 31.7 -24.3 48.0 9 14 A T H > S+ 0 0 94 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.811 110.5 60.3 -70.4 -26.5 33.4 -21.4 49.7 10 15 A E H > S+ 0 0 100 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.917 108.2 42.0 -66.8 -43.3 36.5 -22.2 47.6 11 16 A V H > S+ 0 0 0 2,-0.2 4,-2.8 1,-0.2 5,-0.2 0.915 111.0 57.0 -69.3 -42.2 34.6 -21.5 44.4 12 17 A E H X S+ 0 0 34 -4,-2.1 4,-1.8 1,-0.2 -2,-0.2 0.931 111.2 43.0 -53.1 -47.9 32.9 -18.5 45.8 13 18 A A H X S+ 0 0 61 -4,-2.1 4,-1.8 1,-0.2 -1,-0.2 0.898 112.6 51.8 -67.3 -42.6 36.3 -16.9 46.7 14 19 A A H X S+ 0 0 30 -4,-2.1 4,-2.4 2,-0.2 -1,-0.2 0.880 107.0 54.7 -61.5 -38.1 37.8 -17.9 43.3 15 20 A V H X S+ 0 0 0 -4,-2.8 4,-2.1 1,-0.2 -1,-0.2 0.940 106.0 51.7 -61.7 -44.6 34.8 -16.3 41.6 16 21 A N H X S+ 0 0 24 -4,-1.8 4,-1.6 1,-0.2 -1,-0.2 0.883 110.2 49.3 -60.1 -38.1 35.5 -13.0 43.4 17 22 A R H X S+ 0 0 183 -4,-1.8 4,-2.2 1,-0.2 -1,-0.2 0.905 108.6 52.6 -67.0 -41.9 39.1 -13.1 42.3 18 23 A L H X S+ 0 0 6 -4,-2.4 4,-2.2 1,-0.2 -2,-0.2 0.859 104.9 55.4 -61.9 -36.6 38.1 -13.7 38.7 19 24 A V H X S+ 0 0 4 -4,-2.1 4,-2.2 2,-0.2 -1,-0.2 0.929 108.0 49.4 -61.2 -43.0 35.8 -10.7 38.9 20 25 A N H X S+ 0 0 40 -4,-1.6 4,-2.2 1,-0.2 -2,-0.2 0.907 109.4 52.0 -63.4 -39.3 38.8 -8.6 39.9 21 26 A L H X S+ 0 0 55 -4,-2.2 4,-1.9 1,-0.2 -1,-0.2 0.883 110.4 48.1 -64.5 -40.0 40.9 -10.0 37.1 22 27 A Y H X S+ 0 0 0 -4,-2.2 4,-2.3 2,-0.2 -1,-0.2 0.882 111.6 48.7 -68.1 -40.9 38.3 -9.1 34.5 23 28 A L H X S+ 0 0 47 -4,-2.2 4,-2.1 2,-0.2 -2,-0.2 0.881 111.2 51.1 -67.4 -34.9 37.8 -5.6 35.8 24 29 A R H X S+ 0 0 76 -4,-2.2 4,-2.2 2,-0.2 -2,-0.2 0.881 109.9 49.2 -69.2 -36.1 41.6 -5.1 35.8 25 30 A A H X S+ 0 0 1 -4,-1.9 4,-2.6 2,-0.2 5,-0.2 0.915 110.2 51.9 -68.2 -40.0 41.7 -6.3 32.1 26 31 A S H X S+ 0 0 17 -4,-2.3 4,-1.6 1,-0.2 -2,-0.2 0.902 110.1 48.2 -60.3 -42.6 38.9 -3.9 31.3 27 32 A Y H X S+ 0 0 107 -4,-2.1 4,-1.8 1,-0.2 -1,-0.2 0.888 110.5 52.7 -65.0 -40.6 40.9 -1.1 32.9 28 33 A T H X S+ 0 0 14 -4,-2.2 4,-2.2 1,-0.2 -2,-0.2 0.919 109.0 48.0 -61.3 -44.3 44.0 -2.1 31.0 29 34 A Y H X S+ 0 0 0 -4,-2.6 4,-2.3 1,-0.2 -1,-0.2 0.798 106.7 57.8 -68.5 -29.1 42.1 -2.1 27.6 30 35 A L H X S+ 0 0 75 -4,-1.6 4,-2.1 -5,-0.2 -1,-0.2 0.923 108.8 45.9 -65.3 -42.9 40.7 1.3 28.4 31 36 A S H X S+ 0 0 36 -4,-1.8 4,-1.6 2,-0.2 -2,-0.2 0.913 112.7 50.1 -65.2 -43.8 44.3 2.6 28.8 32 37 A L H X S+ 0 0 1 -4,-2.2 4,-1.5 1,-0.2 -2,-0.2 0.913 110.3 50.7 -60.8 -44.2 45.4 0.9 25.6 33 38 A G H < S+ 0 0 0 -4,-2.3 4,-0.5 1,-0.2 3,-0.2 0.930 111.2 45.8 -61.4 -50.1 42.5 2.4 23.7 34 39 A F H < S+ 0 0 91 -4,-2.1 3,-0.4 1,-0.2 4,-0.3 0.778 105.5 61.5 -68.7 -23.3 43.0 6.0 24.7 35 40 A Y H >< S+ 0 0 25 -4,-1.6 3,-1.4 1,-0.2 7,-0.3 0.919 104.4 48.0 -67.2 -41.3 46.8 5.7 24.1 36 41 A F T 3< S+ 0 0 0 -4,-1.5 7,-2.2 1,-0.3 11,-0.3 0.577 103.5 63.2 -76.8 -6.8 46.1 5.0 20.4 37 42 A D T 3 S+ 0 0 77 -4,-0.5 -1,-0.3 -3,-0.4 -2,-0.2 0.494 78.8 115.8 -91.3 -7.2 43.7 8.0 20.3 38 43 A R S X> S- 0 0 81 -3,-1.4 4,-3.1 -4,-0.3 3,-2.0 -0.347 75.9-124.1 -62.7 142.8 46.6 10.4 21.2 39 44 A D T 34 S+ 0 0 155 1,-0.3 -1,-0.1 2,-0.2 -3,-0.0 0.786 112.5 52.3 -60.7 -27.2 47.4 12.9 18.4 40 45 A D T 34 S+ 0 0 103 1,-0.1 -1,-0.3 0, 0.0 -2,-0.1 0.323 122.1 29.9 -92.6 10.4 51.0 11.7 18.3 41 46 A V T <4 S+ 0 0 33 -3,-2.0 -2,-0.2 -6,-0.1 -5,-0.1 0.543 80.3 171.1-124.9 -57.0 49.9 8.1 17.9 42 47 A A < + 0 0 61 -4,-3.1 2,-0.4 -7,-0.3 -5,-0.2 0.874 14.9 145.3 46.0 64.4 46.6 8.5 16.0 43 48 A L >> - 0 0 18 -7,-2.2 4,-2.2 1,-0.1 3,-0.9 -0.791 21.6-177.5-126.8 84.7 45.6 5.0 14.9 44 49 A E H 3> S+ 0 0 73 -2,-0.4 4,-2.6 1,-0.3 5,-0.2 0.830 78.9 58.4 -52.1 -41.2 41.7 5.1 15.1 45 50 A G H 3> S+ 0 0 11 1,-0.2 4,-1.6 2,-0.2 -1,-0.3 0.866 110.4 43.4 -59.2 -38.0 41.3 1.4 14.1 46 51 A V H <> S+ 0 0 0 -3,-0.9 4,-2.3 2,-0.2 5,-0.3 0.890 110.1 56.0 -75.7 -40.0 43.5 0.3 17.0 47 52 A C H X S+ 0 0 2 -4,-2.2 4,-2.2 -11,-0.3 -2,-0.2 0.944 110.7 44.9 -55.2 -49.5 41.8 2.7 19.4 48 53 A H H X S+ 0 0 125 -4,-2.6 4,-2.3 1,-0.2 -1,-0.2 0.889 108.8 56.8 -63.9 -40.2 38.4 1.1 18.6 49 54 A F H X S+ 0 0 26 -4,-1.6 4,-1.3 -5,-0.2 -1,-0.2 0.935 113.1 39.6 -57.1 -48.8 39.7 -2.5 18.8 50 55 A F H X S+ 0 0 0 -4,-2.3 4,-1.9 2,-0.2 -1,-0.2 0.856 112.0 55.1 -74.2 -32.8 40.9 -2.0 22.3 51 56 A R H X S+ 0 0 121 -4,-2.2 4,-1.4 -5,-0.3 -1,-0.2 0.881 106.5 52.5 -69.9 -29.2 38.0 0.1 23.5 52 57 A E H X S+ 0 0 102 -4,-2.3 4,-2.0 1,-0.2 -1,-0.2 0.869 108.1 51.4 -70.9 -34.4 35.6 -2.7 22.3 53 58 A L H X S+ 0 0 16 -4,-1.3 4,-2.6 2,-0.2 5,-0.2 0.859 103.2 58.3 -71.0 -33.2 37.6 -5.2 24.4 54 59 A A H X S+ 0 0 8 -4,-1.9 4,-1.9 1,-0.2 -1,-0.2 0.925 108.6 46.5 -60.7 -42.1 37.3 -3.0 27.5 55 60 A E H X S+ 0 0 79 -4,-1.4 4,-2.4 2,-0.2 -2,-0.2 0.919 111.0 51.7 -66.2 -43.6 33.6 -3.3 27.1 56 61 A E H X S+ 0 0 71 -4,-2.0 4,-1.9 1,-0.2 -2,-0.2 0.909 110.7 47.4 -60.2 -44.4 33.7 -7.0 26.6 57 62 A K H X S+ 0 0 3 -4,-2.6 4,-2.0 2,-0.2 -1,-0.2 0.884 110.7 52.0 -67.0 -37.0 35.8 -7.6 29.7 58 63 A R H X S+ 0 0 98 -4,-1.9 4,-2.0 -5,-0.2 -2,-0.2 0.919 109.0 50.5 -64.2 -41.3 33.5 -5.4 31.8 59 64 A E H X S+ 0 0 72 -4,-2.4 4,-1.9 1,-0.2 -2,-0.2 0.869 106.6 55.1 -65.2 -32.9 30.5 -7.4 30.6 60 65 A G H X S+ 0 0 5 -4,-1.9 4,-2.0 1,-0.2 -1,-0.2 0.919 107.1 50.4 -64.6 -43.2 32.3 -10.6 31.6 61 66 A A H X S+ 0 0 0 -4,-2.0 4,-2.0 1,-0.2 -2,-0.2 0.913 109.8 50.1 -61.7 -41.8 32.8 -9.3 35.1 62 67 A E H X S+ 0 0 109 -4,-2.0 4,-2.0 1,-0.2 -1,-0.2 0.866 107.8 53.4 -66.8 -34.0 29.1 -8.4 35.4 63 68 A R H X S+ 0 0 118 -4,-1.9 4,-2.1 1,-0.2 -1,-0.2 0.908 109.5 48.5 -66.5 -40.4 28.1 -11.9 34.2 64 69 A L H X S+ 0 0 0 -4,-2.0 4,-2.6 1,-0.2 -2,-0.2 0.884 110.3 51.6 -65.6 -39.3 30.2 -13.4 36.9 65 70 A L H X S+ 0 0 38 -4,-2.0 4,-1.7 2,-0.2 -2,-0.2 0.878 109.0 50.4 -66.5 -38.1 28.7 -11.1 39.5 66 71 A K H X S+ 0 0 145 -4,-2.0 4,-2.1 2,-0.2 -1,-0.2 0.921 111.0 49.1 -65.4 -42.5 25.2 -12.1 38.5 67 72 A M H X S+ 0 0 0 -4,-2.1 4,-2.1 2,-0.2 6,-0.2 0.928 105.5 57.8 -62.2 -45.4 26.1 -15.8 38.7 68 73 A Q H X>S+ 0 0 0 -4,-2.6 5,-2.6 1,-0.2 4,-0.6 0.919 111.0 42.6 -49.3 -49.2 27.6 -15.2 42.2 69 74 A N H ><5S+ 0 0 96 -4,-1.7 3,-0.6 1,-0.2 -1,-0.2 0.855 109.8 57.5 -68.6 -36.2 24.3 -13.9 43.4 70 75 A Q H 3<5S+ 0 0 126 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.846 109.2 45.7 -64.4 -31.9 22.3 -16.6 41.6 71 76 A R H 3<5S- 0 0 29 -4,-2.1 -66,-0.5 -5,-0.1 -1,-0.2 0.562 119.8-108.5 -87.9 -9.1 24.3 -19.3 43.5 72 77 A G T <<5S+ 0 0 4 -4,-0.6 -3,-0.2 -3,-0.6 -68,-0.2 0.614 74.2 135.1 92.0 13.2 23.9 -17.5 46.8 73 78 A G < - 0 0 0 -5,-2.6 2,-0.5 -6,-0.2 -1,-0.3 -0.340 53.8-117.7 -84.5 174.4 27.5 -16.4 47.2 74 79 A R - 0 0 145 -2,-0.1 2,-0.2 2,-0.0 -58,-0.1 -0.964 18.2-131.7-122.1 123.3 28.5 -12.9 48.2 75 80 A A - 0 0 33 -2,-0.5 2,-0.4 -10,-0.1 -62,-0.1 -0.479 22.3-171.5 -70.5 134.8 30.5 -10.5 46.0 76 81 A L - 0 0 115 -2,-0.2 2,-0.3 -63,-0.1 -2,-0.0 -0.994 10.3-148.2-130.6 124.7 33.5 -8.9 47.7 77 82 A F - 0 0 132 -2,-0.4 2,-0.2 -58,-0.0 -60,-0.1 -0.736 11.8-169.7 -98.7 144.4 35.3 -6.1 45.9 78 83 A Q - 0 0 140 -2,-0.3 -2,-0.0 -62,-0.2 0, 0.0 -0.735 38.9 -75.2-120.3 170.8 39.1 -5.3 46.1 79 84 A D - 0 0 155 -2,-0.2 2,-0.6 1,-0.1 -1,-0.1 -0.315 45.8-126.6 -61.1 151.9 41.2 -2.4 44.9 80 85 A L - 0 0 74 -57,-0.1 2,-0.1 -3,-0.0 -1,-0.1 -0.898 20.9-133.0-105.0 117.6 41.9 -2.4 41.1 81 86 A Q - 0 0 114 -2,-0.6 3,-0.1 1,-0.1 -54,-0.1 -0.402 26.3-109.0 -68.3 138.4 45.5 -2.2 40.3 82 87 A K - 0 0 129 1,-0.1 -1,-0.1 -2,-0.1 -54,-0.1 -0.210 49.3 -79.4 -62.5 158.6 46.5 0.4 37.6 83 88 A P - 0 0 15 0, 0.0 -1,-0.1 0, 0.0 -58,-0.0 -0.220 40.9-114.5 -58.0 154.1 47.6 -1.0 34.2 84 89 A S S S+ 0 0 92 -3,-0.1 2,-0.3 2,-0.0 -2,-0.1 0.700 95.2 37.7 -65.3 -22.9 51.2 -2.2 34.0 85 90 A Q - 0 0 86 1,-0.1 3,-0.1 -57,-0.1 -54,-0.0 -0.943 53.1-159.9-132.3 154.9 52.2 0.5 31.5 86 91 A D S S+ 0 0 134 -2,-0.3 2,-0.4 1,-0.2 -1,-0.1 0.672 90.9 36.3 -99.1 -27.3 51.5 4.2 30.9 87 92 A E - 0 0 113 1,-0.0 -1,-0.2 -52,-0.0 -55,-0.1 -0.976 66.6-159.8-129.1 140.7 52.6 4.1 27.3 88 93 A W - 0 0 8 -2,-0.4 2,-0.2 1,-0.3 9,-0.1 0.348 22.5-142.8-110.2 10.1 52.1 1.2 24.9 89 94 A G - 0 0 33 4,-0.1 -1,-0.3 5,-0.1 2,-0.2 -0.442 52.4 -20.2 71.7-137.8 54.6 1.5 22.1 90 95 A T S > S- 0 0 58 -2,-0.2 4,-2.6 1,-0.0 5,-0.2 -0.487 75.2 -87.3-103.5 175.5 53.6 0.6 18.6 91 96 A T H > S+ 0 0 2 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.893 126.1 48.2 -49.6 -49.2 50.9 -1.7 17.3 92 97 A P H > S+ 0 0 11 0, 0.0 4,-2.0 0, 0.0 -1,-0.2 0.894 111.9 50.7 -62.0 -38.7 52.9 -4.9 17.5 93 98 A D H > S+ 0 0 75 -3,-0.2 4,-2.1 2,-0.2 -2,-0.2 0.930 112.9 46.4 -62.0 -47.4 54.0 -4.1 21.1 94 99 A A H X S+ 0 0 0 -4,-2.6 4,-2.2 1,-0.2 -1,-0.2 0.906 112.0 49.5 -62.9 -44.3 50.4 -3.5 22.0 95 100 A M H X S+ 0 0 0 -4,-2.7 4,-2.0 -5,-0.2 -1,-0.2 0.865 109.8 52.1 -65.1 -35.1 49.0 -6.6 20.4 96 101 A K H X S+ 0 0 87 -4,-2.0 4,-2.1 -5,-0.2 -1,-0.2 0.934 109.4 49.3 -65.3 -46.5 51.7 -8.7 22.1 97 102 A A H X S+ 0 0 28 -4,-2.1 4,-2.2 1,-0.2 -2,-0.2 0.893 110.2 52.0 -58.7 -42.0 50.7 -7.3 25.5 98 103 A A H X S+ 0 0 0 -4,-2.2 4,-2.6 2,-0.2 -1,-0.2 0.894 107.6 50.8 -64.3 -39.6 47.1 -8.0 24.8 99 104 A I H X S+ 0 0 23 -4,-2.0 4,-2.4 2,-0.2 -1,-0.2 0.911 110.4 49.6 -65.5 -40.9 47.8 -11.7 23.9 100 105 A V H X S+ 0 0 100 -4,-2.1 4,-1.7 2,-0.2 -1,-0.2 0.919 111.3 50.1 -61.5 -44.6 49.7 -12.1 27.1 101 106 A L H X S+ 0 0 34 -4,-2.2 4,-1.8 1,-0.2 -2,-0.2 0.929 111.4 47.6 -59.6 -48.8 46.9 -10.6 29.0 102 107 A E H X S+ 0 0 0 -4,-2.6 4,-2.9 1,-0.2 -1,-0.2 0.894 108.1 54.7 -63.2 -38.9 44.3 -12.8 27.4 103 108 A K H X S+ 0 0 133 -4,-2.4 4,-2.1 1,-0.2 -1,-0.2 0.870 107.5 51.7 -63.9 -32.0 46.4 -16.0 28.0 104 109 A S H X S+ 0 0 65 -4,-1.7 4,-1.7 2,-0.2 -1,-0.2 0.878 110.3 47.2 -70.8 -36.4 46.5 -15.1 31.7 105 110 A L H X S+ 0 0 2 -4,-1.8 4,-2.1 2,-0.2 -2,-0.2 0.927 111.1 52.7 -68.0 -45.1 42.7 -14.7 31.8 106 111 A N H X S+ 0 0 30 -4,-2.9 4,-2.4 1,-0.2 -2,-0.2 0.910 107.8 50.8 -57.5 -42.4 42.3 -18.0 30.0 107 112 A Q H X S+ 0 0 97 -4,-2.1 4,-2.6 1,-0.2 -1,-0.2 0.900 108.3 52.4 -63.6 -39.6 44.5 -19.7 32.5 108 113 A A H X S+ 0 0 21 -4,-1.7 4,-1.9 1,-0.2 -1,-0.2 0.873 109.4 49.3 -64.5 -36.2 42.5 -18.3 35.4 109 114 A L H X S+ 0 0 0 -4,-2.1 4,-2.3 2,-0.2 -2,-0.2 0.913 111.3 49.6 -67.1 -43.2 39.3 -19.7 33.8 110 115 A L H X S+ 0 0 75 -4,-2.4 4,-2.2 1,-0.2 -2,-0.2 0.896 110.8 49.7 -62.1 -41.7 41.0 -23.1 33.3 111 116 A D H X S+ 0 0 94 -4,-2.6 4,-2.1 2,-0.2 -1,-0.2 0.893 110.7 49.7 -64.6 -40.8 42.1 -23.1 37.0 112 117 A L H X S+ 0 0 8 -4,-1.9 4,-2.4 2,-0.2 -2,-0.2 0.883 109.9 51.1 -65.9 -38.0 38.6 -22.2 38.1 113 118 A H H X S+ 0 0 42 -4,-2.3 4,-2.6 2,-0.2 -2,-0.2 0.918 108.4 51.3 -64.6 -43.0 37.1 -25.0 36.0 114 119 A A H X S+ 0 0 56 -4,-2.2 4,-2.5 1,-0.2 -2,-0.2 0.916 110.8 49.6 -59.9 -41.8 39.5 -27.5 37.5 115 120 A L H X S+ 0 0 53 -4,-2.1 4,-2.3 2,-0.2 -2,-0.2 0.918 110.1 49.6 -62.3 -45.9 38.5 -26.3 41.0 116 121 A G H X>S+ 0 0 0 -4,-2.4 5,-2.4 2,-0.2 4,-0.5 0.896 110.8 50.7 -61.2 -40.4 34.8 -26.7 40.1 117 122 A S H ><5S+ 0 0 64 -4,-2.6 3,-1.0 3,-0.2 -2,-0.2 0.928 110.6 48.4 -62.9 -46.2 35.5 -30.2 38.7 118 123 A A H 3<5S+ 0 0 83 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.862 114.4 46.4 -62.9 -35.3 37.3 -31.2 42.0 119 124 A Q H 3<5S- 0 0 74 -4,-2.3 -1,-0.3 -5,-0.2 -2,-0.2 0.508 112.1-122.5 -83.5 -6.2 34.4 -29.7 44.0 120 125 A A T <<5 + 0 0 67 -3,-1.0 -3,-0.2 -4,-0.5 -2,-0.1 0.955 57.3 151.7 62.8 51.8 31.8 -31.5 41.8 121 126 A D >< + 0 0 3 -5,-2.4 4,-1.7 1,-0.1 -1,-0.2 -0.846 16.2 174.0-116.1 88.4 30.0 -28.3 40.8 122 127 A P H > S+ 0 0 93 0, 0.0 4,-2.3 0, 0.0 5,-0.2 0.793 75.4 59.8 -69.5 -27.9 28.5 -29.0 37.3 123 128 A H H > S+ 0 0 86 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.943 107.2 46.7 -65.7 -44.1 26.6 -25.7 37.1 124 129 A L H > S+ 0 0 0 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.929 111.4 51.8 -60.7 -46.3 29.8 -23.8 37.5 125 130 A C H X S+ 0 0 14 -4,-1.7 4,-2.0 1,-0.2 -1,-0.2 0.920 112.2 44.7 -59.4 -42.8 31.5 -25.9 34.9 126 131 A D H X S+ 0 0 87 -4,-2.3 4,-3.2 1,-0.2 5,-0.2 0.897 110.0 56.2 -66.6 -42.2 28.7 -25.5 32.3 127 132 A F H X S+ 0 0 18 -4,-2.4 4,-1.6 -5,-0.2 5,-0.2 0.905 110.3 44.1 -57.3 -43.8 28.6 -21.7 33.0 128 133 A L H X>S+ 0 0 0 -4,-2.2 5,-2.4 2,-0.2 4,-2.3 0.909 116.0 47.2 -68.4 -42.6 32.3 -21.3 32.2 129 134 A E H <>S+ 0 0 91 -4,-2.0 5,-0.8 -5,-0.2 -2,-0.2 0.922 115.0 45.5 -65.5 -44.4 32.1 -23.5 29.1 130 135 A S H <5S+ 0 0 72 -4,-3.2 -1,-0.2 -5,-0.2 -2,-0.2 0.743 128.6 20.9 -72.9 -28.0 29.0 -21.8 27.8 131 136 A H H <5S+ 0 0 78 -4,-1.6 -2,-0.2 -5,-0.2 -3,-0.2 0.562 131.7 18.9-119.7 -12.2 30.0 -18.2 28.4 132 137 A F T X5S+ 0 0 1 -4,-2.3 4,-2.4 -5,-0.2 -3,-0.2 0.710 105.0 61.8-126.6 -48.4 33.8 -17.9 28.7 133 138 A L H > S+ 0 0 76 1,-0.2 4,-1.9 2,-0.2 -2,-0.2 0.915 109.0 46.5 -59.1 -44.1 34.9 -16.8 23.7 136 141 A E H X S+ 0 0 0 -4,-2.4 4,-2.8 2,-0.2 5,-0.2 0.920 111.2 51.1 -64.9 -47.8 38.5 -16.8 24.9 137 142 A V H X S+ 0 0 86 -4,-2.0 4,-2.0 1,-0.2 -2,-0.2 0.935 112.2 46.4 -57.9 -45.8 39.7 -19.3 22.4 138 143 A K H X S+ 0 0 128 -4,-2.5 4,-1.8 1,-0.2 -1,-0.2 0.889 114.0 48.6 -64.3 -39.0 38.2 -17.4 19.5 139 144 A L H X S+ 0 0 22 -4,-1.9 4,-2.3 -5,-0.2 -1,-0.2 0.901 109.9 50.3 -68.4 -44.3 39.6 -14.1 20.7 140 145 A I H X S+ 0 0 34 -4,-2.8 4,-2.0 1,-0.2 -1,-0.2 0.892 109.6 52.0 -63.1 -36.4 43.1 -15.5 21.2 141 146 A K H X S+ 0 0 128 -4,-2.0 4,-2.6 -5,-0.2 -1,-0.2 0.928 108.9 50.9 -64.3 -43.9 43.1 -17.0 17.6 142 147 A K H X S+ 0 0 110 -4,-1.8 4,-2.5 1,-0.2 -2,-0.2 0.920 110.6 48.2 -58.9 -45.4 42.0 -13.6 16.2 143 148 A M H X S+ 0 0 0 -4,-2.3 4,-2.7 1,-0.2 -1,-0.2 0.871 109.9 53.0 -63.9 -37.3 44.9 -11.8 18.1 144 149 A G H X S+ 0 0 27 -4,-2.0 4,-2.1 2,-0.2 -2,-0.2 0.929 108.6 49.8 -62.9 -45.1 47.3 -14.5 16.8 145 150 A D H X S+ 0 0 68 -4,-2.6 4,-2.1 1,-0.2 -2,-0.2 0.928 111.8 48.8 -58.2 -47.2 46.1 -13.8 13.3 146 151 A H H X S+ 0 0 23 -4,-2.5 4,-3.2 1,-0.2 5,-0.3 0.924 108.6 52.4 -58.3 -49.6 46.6 -10.0 13.7 147 152 A L H X S+ 0 0 25 -4,-2.7 4,-2.5 1,-0.2 -1,-0.2 0.894 108.8 50.7 -54.8 -44.7 50.1 -10.4 15.2 148 153 A T H X S+ 0 0 75 -4,-2.1 4,-1.9 1,-0.2 -1,-0.2 0.943 113.8 44.4 -61.4 -45.8 51.1 -12.5 12.2 149 154 A N H X S+ 0 0 60 -4,-2.1 4,-1.5 2,-0.2 -2,-0.2 0.897 113.2 49.7 -67.0 -40.1 49.8 -9.9 9.8 150 155 A I H X S+ 0 0 0 -4,-3.2 4,-2.9 1,-0.2 5,-0.3 0.925 111.3 50.2 -64.9 -42.4 51.3 -7.0 11.6 151 156 A Q H X S+ 0 0 101 -4,-2.5 4,-0.9 -5,-0.3 -1,-0.2 0.879 107.3 52.4 -65.6 -36.4 54.7 -8.6 11.8 152 157 A R H X S+ 0 0 154 -4,-1.9 4,-0.7 -5,-0.2 -1,-0.2 0.868 116.1 43.2 -67.8 -29.6 54.7 -9.4 8.1 153 158 A L H X S+ 0 0 46 -4,-1.5 4,-1.5 2,-0.2 3,-0.3 0.909 112.4 47.0 -81.3 -48.8 53.9 -5.7 7.4 154 159 A V H < S+ 0 0 38 -4,-2.9 4,-0.4 1,-0.2 -1,-0.2 0.588 103.9 64.5 -74.8 -7.7 56.3 -3.9 9.9 155 160 A G H < S+ 0 0 65 -4,-0.9 -1,-0.2 -5,-0.3 3,-0.2 0.890 107.9 43.3 -77.0 -38.9 59.1 -6.2 8.8 156 161 A S H < S- 0 0 96 -4,-0.7 2,-0.4 -3,-0.3 -2,-0.2 0.997 141.1 -17.1 -65.8 -78.3 58.8 -4.6 5.3 157 162 A Q X - 0 0 127 -4,-1.5 4,-3.3 1,-0.2 -1,-0.2 -0.937 64.4-151.4-137.5 110.1 58.3 -0.9 6.2 158 163 A A H > S+ 0 0 61 -2,-0.4 4,-2.4 -4,-0.4 5,-0.2 0.885 90.7 36.6 -46.0 -64.7 57.4 -0.0 9.8 159 164 A G H > S+ 0 0 57 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.951 122.8 45.4 -58.8 -50.3 55.4 3.3 9.5 160 165 A L H > S+ 0 0 98 1,-0.2 4,-2.4 2,-0.2 -2,-0.2 0.884 112.2 53.0 -60.0 -41.8 53.8 2.2 6.2 161 166 A G H X S+ 0 0 3 -4,-3.3 4,-2.2 -8,-0.2 -1,-0.2 0.909 108.0 49.2 -62.9 -44.5 53.0 -1.3 7.6 162 167 A E H X S+ 0 0 37 -4,-2.4 4,-2.0 -5,-0.2 -1,-0.2 0.885 112.3 48.8 -62.6 -41.6 51.2 0.1 10.7 163 168 A Y H X S+ 0 0 132 -4,-1.8 4,-2.5 -5,-0.2 5,-0.2 0.944 111.1 48.9 -63.8 -49.1 49.1 2.5 8.7 164 169 A L H X S+ 0 0 64 -4,-2.4 4,-3.2 1,-0.2 5,-0.4 0.907 110.9 50.4 -59.4 -43.2 48.1 -0.2 6.1 165 170 A F H X>S+ 0 0 2 -4,-2.2 4,-2.3 1,-0.2 5,-1.8 0.932 112.5 46.2 -61.0 -46.3 47.1 -2.7 8.9 166 171 A E H <5S+ 0 0 9 -4,-2.0 -1,-0.2 3,-0.2 -2,-0.2 0.882 118.9 42.2 -64.4 -38.9 45.0 -0.1 10.7 167 172 A R H <5S+ 0 0 140 -4,-2.5 -2,-0.2 3,-0.2 -1,-0.2 0.878 126.1 29.2 -74.6 -42.3 43.3 1.0 7.4 168 173 A L H <5S+ 0 0 140 -4,-3.2 -3,-0.2 -5,-0.2 -2,-0.2 0.668 130.8 26.7 -98.6 -22.4 42.7 -2.4 5.8 169 174 A T T <5 0 0 73 -4,-2.3 -3,-0.2 -5,-0.4 -4,-0.1 0.790 360.0 360.0-105.9 -47.3 42.3 -4.9 8.6 170 175 A L < 0 0 63 -5,-1.8 -3,-0.2 0, 0.0 -4,-0.2 0.813 360.0 360.0 -93.0 360.0 40.9 -2.8 11.5