==== 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 METAL BINDING PROTEIN 22-FEB-06 2G4H . COMPND 2 MOLECULE: FERRITIN LIGHT CHAIN; . SOURCE 2 ORGANISM_SCIENTIFIC: EQUUS CABALLUS; . AUTHOR C.MUELLER-DIECKMANN,M.S.WEISS . 170 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9685.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 130 76.5 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 1.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 7 4.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 114 67.1 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 1 0 0 0 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 6 A S 0 0 106 0, 0.0 72,-0.0 0, 0.0 71,-0.0 0.000 360.0 360.0 360.0 -40.0 21.8 -18.9 51.4 2 7 A Q + 0 0 199 1,-0.1 70,-0.0 3,-0.0 0, 0.0 0.757 360.0 31.1 -68.2 -30.2 18.2 -19.8 51.5 3 8 A I S S+ 0 0 92 69,-0.0 -1,-0.1 2,-0.0 2,-0.1 0.652 91.8 116.8 -97.3 -20.0 19.0 -20.6 47.8 4 9 A R + 0 0 77 68,-0.2 2,-0.3 2,-0.0 68,-0.1 -0.306 33.9 160.6 -63.5 129.8 22.6 -21.7 48.0 5 10 A Q - 0 0 160 66,-0.4 3,-0.1 -2,-0.1 -3,-0.0 -0.941 64.1 -8.6-155.8 123.7 23.1 -25.3 47.0 6 11 A N S S+ 0 0 96 -2,-0.3 2,-0.5 1,-0.2 -2,-0.0 0.812 91.5 131.1 59.4 33.2 26.3 -27.2 45.9 7 12 A Y - 0 0 11 64,-0.1 -1,-0.2 65,-0.0 114,-0.0 -0.899 47.0-148.4-122.0 99.6 28.2 -23.9 45.8 8 13 A S > - 0 0 20 -2,-0.5 4,-2.4 1,-0.1 5,-0.1 -0.232 20.9-124.0 -71.2 154.2 31.6 -24.1 47.6 9 14 A T H > S+ 0 0 90 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.845 113.4 58.4 -60.1 -32.6 33.3 -21.2 49.4 10 15 A E H > S+ 0 0 94 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.920 107.8 43.5 -67.7 -43.5 36.3 -21.9 47.2 11 16 A V H > S+ 0 0 0 2,-0.2 4,-2.6 1,-0.2 -2,-0.2 0.934 111.4 54.5 -66.0 -46.7 34.3 -21.4 44.0 12 17 A E H X S+ 0 0 31 -4,-2.4 4,-2.1 1,-0.2 -2,-0.2 0.909 112.2 44.7 -52.5 -46.9 32.6 -18.3 45.4 13 18 A A H X S+ 0 0 36 -4,-2.3 4,-2.1 1,-0.2 -1,-0.2 0.900 112.5 50.0 -63.8 -44.8 36.0 -16.8 46.2 14 19 A A H X S+ 0 0 14 -4,-2.1 4,-2.4 2,-0.2 -1,-0.2 0.840 108.1 54.6 -65.3 -34.2 37.5 -17.7 42.9 15 20 A V H X S+ 0 0 0 -4,-2.6 4,-2.3 2,-0.2 -2,-0.2 0.939 107.6 49.7 -64.9 -44.8 34.5 -16.1 41.1 16 21 A N H X S+ 0 0 18 -4,-2.1 4,-1.7 1,-0.2 -2,-0.2 0.902 111.1 49.7 -58.5 -39.3 35.1 -12.9 43.0 17 22 A R H X S+ 0 0 156 -4,-2.1 4,-2.4 1,-0.2 -2,-0.2 0.923 109.4 51.2 -66.7 -40.1 38.8 -13.0 41.9 18 23 A L H X S+ 0 0 6 -4,-2.4 4,-2.6 1,-0.2 5,-0.2 0.866 105.4 55.8 -65.7 -37.5 37.8 -13.6 38.3 19 24 A V H X S+ 0 0 2 -4,-2.3 4,-2.5 2,-0.2 -1,-0.2 0.940 108.7 48.1 -54.5 -46.7 35.4 -10.6 38.4 20 25 A N H X S+ 0 0 37 -4,-1.7 4,-2.6 1,-0.2 -2,-0.2 0.918 111.0 51.1 -63.9 -42.5 38.4 -8.4 39.5 21 26 A L H X S+ 0 0 72 -4,-2.4 4,-2.2 2,-0.2 -1,-0.2 0.917 111.6 46.5 -60.8 -45.0 40.6 -9.9 36.7 22 27 A Y H X S+ 0 0 0 -4,-2.6 4,-2.6 2,-0.2 -1,-0.2 0.901 113.3 48.8 -64.2 -44.5 37.9 -9.2 34.1 23 28 A L H X S+ 0 0 40 -4,-2.5 4,-2.1 2,-0.2 -2,-0.2 0.895 111.5 50.5 -62.2 -36.3 37.4 -5.6 35.4 24 29 A R H X S+ 0 0 82 -4,-2.6 4,-2.2 2,-0.2 -2,-0.2 0.897 109.3 50.2 -68.5 -38.2 41.1 -5.1 35.4 25 30 A A H X S+ 0 0 0 -4,-2.2 4,-2.4 2,-0.2 -2,-0.2 0.923 108.7 53.0 -65.4 -41.4 41.3 -6.3 31.8 26 31 A S H X S+ 0 0 15 -4,-2.6 4,-2.1 1,-0.2 -2,-0.2 0.909 109.9 48.4 -56.5 -43.5 38.5 -3.9 30.9 27 32 A Y H X S+ 0 0 103 -4,-2.1 4,-2.1 2,-0.2 -1,-0.2 0.870 109.0 52.9 -64.4 -42.7 40.5 -1.0 32.5 28 33 A T H X S+ 0 0 12 -4,-2.2 4,-2.6 2,-0.2 -2,-0.2 0.931 110.6 47.1 -58.6 -46.9 43.6 -2.1 30.6 29 34 A Y H X S+ 0 0 0 -4,-2.4 4,-2.8 2,-0.2 -2,-0.2 0.835 107.2 57.0 -66.8 -34.0 41.7 -2.0 27.3 30 35 A L H X S+ 0 0 74 -4,-2.1 4,-2.2 -5,-0.2 -1,-0.2 0.937 110.6 44.7 -56.6 -49.0 40.2 1.4 28.2 31 36 A S H X S+ 0 0 34 -4,-2.1 4,-2.1 2,-0.2 -2,-0.2 0.915 112.8 50.6 -63.1 -44.2 43.9 2.7 28.5 32 37 A L H X S+ 0 0 1 -4,-2.6 4,-1.8 1,-0.2 -2,-0.2 0.932 110.6 50.7 -58.8 -47.9 45.0 1.0 25.3 33 38 A G H X S+ 0 0 0 -4,-2.8 4,-0.7 1,-0.2 -2,-0.2 0.922 111.3 45.1 -58.8 -50.3 42.0 2.5 23.4 34 39 A F H < S+ 0 0 88 -4,-2.2 3,-0.4 1,-0.2 4,-0.3 0.811 107.4 59.5 -69.0 -29.5 42.6 6.1 24.6 35 40 A Y H >< S+ 0 0 30 -4,-2.1 3,-1.5 1,-0.2 7,-0.3 0.920 105.3 48.7 -57.2 -45.5 46.4 5.8 23.9 36 41 A F H 3< S+ 0 0 0 -4,-1.8 7,-2.2 1,-0.3 11,-0.3 0.640 105.3 60.5 -74.7 -10.0 45.6 5.0 20.2 37 42 A D T 3< S+ 0 0 100 -4,-0.7 -1,-0.3 -3,-0.4 -2,-0.2 0.452 79.0 117.2 -88.1 -9.2 43.2 8.1 20.2 38 43 A R S X> S- 0 0 83 -3,-1.5 4,-2.4 -4,-0.3 3,-1.8 -0.361 76.1-124.5 -57.8 143.3 46.2 10.4 21.1 39 44 A D T 34 S+ 0 0 153 1,-0.3 -1,-0.1 2,-0.2 -3,-0.0 0.797 112.4 52.8 -61.8 -28.4 46.9 13.0 18.3 40 45 A D T 34 S+ 0 0 99 1,-0.1 -1,-0.3 0, 0.0 -2,-0.1 0.254 121.1 31.1 -91.0 11.2 50.5 11.8 18.2 41 46 A V T <4 S+ 0 0 32 -3,-1.8 -2,-0.2 -6,-0.1 -5,-0.1 0.560 78.9 171.9-125.9 -62.5 49.4 8.1 17.7 42 47 A A < + 0 0 65 -4,-2.4 2,-0.4 -7,-0.3 -5,-0.2 0.893 15.6 145.8 57.7 57.8 46.1 8.5 15.8 43 48 A L >> - 0 0 16 -7,-2.2 4,-2.3 1,-0.1 3,-0.7 -0.795 21.7-177.7-122.8 88.0 45.1 5.0 14.8 44 49 A E H 3> S+ 0 0 149 -2,-0.4 4,-2.7 1,-0.3 5,-0.2 0.838 79.4 53.9 -58.7 -42.4 41.3 5.0 14.9 45 50 A G H 3> S+ 0 0 10 2,-0.2 4,-2.1 1,-0.2 -1,-0.3 0.860 110.6 48.0 -59.1 -38.8 40.8 1.4 14.0 46 51 A V H <> S+ 0 0 0 -3,-0.7 4,-2.1 2,-0.2 5,-0.2 0.926 110.7 50.7 -69.8 -45.5 43.2 0.3 16.8 47 52 A C H X S+ 0 0 13 -4,-2.3 4,-2.5 -11,-0.3 -2,-0.2 0.920 111.9 47.8 -54.0 -48.2 41.4 2.6 19.3 48 53 A H H X S+ 0 0 101 -4,-2.7 4,-2.4 1,-0.2 -1,-0.2 0.893 107.7 56.3 -64.2 -39.2 38.0 1.1 18.3 49 54 A F H X S+ 0 0 19 -4,-2.1 4,-1.5 1,-0.2 -1,-0.2 0.930 113.9 38.4 -57.0 -48.3 39.3 -2.5 18.6 50 55 A F H X S+ 0 0 0 -4,-2.1 4,-2.3 2,-0.2 -2,-0.2 0.859 112.3 55.9 -76.9 -33.9 40.5 -2.0 22.2 51 56 A R H X S+ 0 0 124 -4,-2.5 4,-1.7 -5,-0.2 -2,-0.2 0.924 107.8 50.1 -63.4 -39.7 37.5 0.1 23.2 52 57 A E H X S+ 0 0 93 -4,-2.4 4,-2.3 1,-0.2 -2,-0.2 0.891 109.7 51.3 -63.4 -38.9 35.2 -2.7 22.1 53 58 A L H X S+ 0 0 14 -4,-1.5 4,-2.4 2,-0.2 5,-0.2 0.875 104.1 57.7 -66.2 -34.8 37.3 -5.2 24.1 54 59 A A H X S+ 0 0 6 -4,-2.3 4,-2.0 1,-0.2 -1,-0.2 0.932 109.3 45.5 -57.8 -46.4 36.9 -2.9 27.2 55 60 A E H X S+ 0 0 85 -4,-1.7 4,-2.4 1,-0.2 -2,-0.2 0.915 110.6 52.6 -63.4 -46.8 33.2 -3.3 26.9 56 61 A E H X S+ 0 0 70 -4,-2.3 4,-2.0 1,-0.2 -2,-0.2 0.907 110.4 47.5 -58.4 -41.2 33.3 -7.0 26.3 57 62 A K H X S+ 0 0 1 -4,-2.4 4,-2.2 2,-0.2 -1,-0.2 0.893 110.7 51.8 -70.0 -38.1 35.4 -7.6 29.5 58 63 A R H X S+ 0 0 103 -4,-2.0 4,-2.2 -5,-0.2 -1,-0.2 0.915 109.8 50.0 -60.4 -42.8 33.1 -5.4 31.6 59 64 A E H X S+ 0 0 57 -4,-2.4 4,-2.1 2,-0.2 -2,-0.2 0.881 107.6 54.3 -63.6 -36.7 30.2 -7.4 30.3 60 65 A G H X S+ 0 0 4 -4,-2.0 4,-2.0 1,-0.2 -1,-0.2 0.917 108.3 49.5 -59.8 -47.7 32.0 -10.6 31.3 61 66 A A H X S+ 0 0 0 -4,-2.2 4,-2.2 1,-0.2 -2,-0.2 0.901 109.8 50.6 -59.6 -43.8 32.5 -9.3 34.8 62 67 A E H X S+ 0 0 104 -4,-2.2 4,-2.4 2,-0.2 -1,-0.2 0.859 108.3 52.1 -64.1 -37.3 28.8 -8.4 35.1 63 68 A R H X S+ 0 0 112 -4,-2.1 4,-2.2 2,-0.2 -1,-0.2 0.896 110.1 49.2 -65.9 -37.1 27.7 -11.9 33.9 64 69 A L H X S+ 0 0 0 -4,-2.0 4,-2.6 2,-0.2 -2,-0.2 0.913 111.1 50.2 -67.4 -42.0 30.0 -13.4 36.6 65 70 A L H X S+ 0 0 35 -4,-2.2 4,-2.0 2,-0.2 -2,-0.2 0.897 109.7 50.1 -61.5 -44.0 28.4 -11.1 39.2 66 71 A K H X S+ 0 0 139 -4,-2.4 4,-2.5 2,-0.2 -2,-0.2 0.927 112.4 48.0 -57.9 -45.8 24.9 -12.1 38.1 67 72 A M H X S+ 0 0 0 -4,-2.2 4,-2.1 2,-0.2 6,-0.2 0.898 105.8 57.0 -62.0 -47.2 25.9 -15.8 38.4 68 73 A Q H <>S+ 0 0 0 -4,-2.6 5,-2.7 1,-0.2 4,-0.5 0.945 112.2 42.9 -47.9 -55.6 27.4 -15.2 41.9 69 74 A N H ><5S+ 0 0 95 -4,-2.0 3,-1.1 3,-0.2 -2,-0.2 0.897 109.3 57.0 -58.2 -43.2 24.0 -13.8 43.0 70 75 A Q H 3<5S+ 0 0 112 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.858 111.2 44.4 -57.0 -34.1 22.0 -16.6 41.2 71 76 A R T 3<5S- 0 0 27 -4,-2.1 -66,-0.4 -3,-0.2 -1,-0.3 0.477 120.3-108.0 -91.2 -4.1 24.0 -19.2 43.2 72 77 A G T < 5S+ 0 0 3 -3,-1.1 -3,-0.2 -4,-0.5 -68,-0.2 0.640 72.3 141.1 83.0 14.1 23.7 -17.4 46.5 73 78 A G < - 0 0 0 -5,-2.7 2,-0.5 -6,-0.2 -1,-0.2 -0.324 51.5-118.8 -75.0 168.0 27.3 -16.3 46.6 74 79 A R - 0 0 134 -2,-0.1 2,-0.2 -3,-0.1 -58,-0.1 -0.961 19.1-130.3-120.4 117.1 28.3 -12.8 47.8 75 80 A A - 0 0 32 -2,-0.5 2,-0.4 -10,-0.1 -62,-0.1 -0.464 25.4-175.0 -61.1 130.1 30.1 -10.4 45.5 76 81 A L - 0 0 113 -2,-0.2 2,-0.3 -63,-0.1 -2,-0.0 -0.998 9.4-153.0-133.1 125.3 33.2 -8.8 47.1 77 82 A F - 0 0 124 -2,-0.4 2,-0.3 -58,-0.1 -60,-0.1 -0.762 9.3-169.6-103.1 144.1 35.1 -6.2 45.3 78 83 A Q - 0 0 140 -2,-0.3 -2,-0.0 -62,-0.2 0, 0.0 -0.803 40.3 -71.0-119.6 169.8 38.7 -5.3 45.5 79 84 A D - 0 0 127 -2,-0.3 2,-0.7 1,-0.1 -1,-0.1 -0.219 45.1-128.2 -52.8 142.9 40.8 -2.4 44.2 80 85 A L - 0 0 69 -57,-0.1 2,-0.1 -3,-0.1 -1,-0.1 -0.931 24.8-133.5 -97.3 114.9 41.4 -2.4 40.4 81 86 A Q - 0 0 112 -2,-0.7 3,-0.1 1,-0.1 -54,-0.1 -0.381 24.6-105.9 -65.5 139.7 45.0 -2.1 39.8 82 87 A K - 0 0 137 1,-0.1 -1,-0.1 -2,-0.1 -54,-0.1 -0.312 48.2 -84.2 -62.7 151.6 46.0 0.4 37.2 83 88 A P - 0 0 13 0, 0.0 -1,-0.1 0, 0.0 -58,-0.0 -0.159 38.6-113.9 -58.1 156.0 47.1 -1.0 33.9 84 89 A S S S+ 0 0 93 -3,-0.1 2,-0.3 2,-0.0 -2,-0.1 0.593 94.8 39.3 -70.0 -17.4 50.8 -2.0 33.6 85 90 A Q - 0 0 82 1,-0.1 3,-0.1 -57,-0.1 -54,-0.0 -0.957 53.1-159.7-134.3 146.3 51.8 0.7 31.1 86 91 A D S S+ 0 0 129 -2,-0.3 2,-0.4 1,-0.3 -1,-0.1 0.672 93.8 33.6 -89.6 -28.2 50.9 4.4 30.6 87 92 A E - 0 0 117 1,-0.0 -1,-0.3 -52,-0.0 -55,-0.1 -0.989 69.0-159.4-131.1 139.3 52.0 4.3 26.9 88 93 A W - 0 0 4 -2,-0.4 9,-0.2 1,-0.3 2,-0.1 0.298 23.1-146.3-111.1 7.6 51.6 1.2 24.8 89 94 A G - 0 0 30 4,-0.1 -1,-0.3 5,-0.1 2,-0.1 -0.355 55.0 -1.7 67.9-135.3 54.1 1.6 21.9 90 95 A T S > S- 0 0 53 -2,-0.1 4,-2.6 1,-0.1 5,-0.2 -0.361 75.6-100.9 -86.2 169.4 53.3 0.3 18.5 91 96 A T H > S+ 0 0 1 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.917 126.4 51.3 -53.1 -45.3 50.2 -1.6 17.3 92 97 A P H > S+ 0 0 17 0, 0.0 4,-2.5 0, 0.0 -1,-0.2 0.904 107.8 50.6 -58.6 -43.0 52.3 -4.7 17.5 93 98 A D H > S+ 0 0 74 2,-0.2 4,-2.5 1,-0.2 -2,-0.2 0.917 113.7 47.0 -56.9 -47.6 53.4 -4.0 21.1 94 99 A A H X S+ 0 0 0 -4,-2.6 4,-2.2 2,-0.2 -1,-0.2 0.904 112.1 47.9 -63.7 -46.3 49.8 -3.4 22.0 95 100 A M H X S+ 0 0 0 -4,-2.7 4,-2.1 2,-0.2 -1,-0.2 0.888 111.3 51.6 -64.3 -39.2 48.5 -6.6 20.3 96 101 A K H X S+ 0 0 108 -4,-2.5 4,-2.0 2,-0.2 -2,-0.2 0.935 111.5 47.4 -61.0 -45.0 51.3 -8.6 22.0 97 102 A A H X S+ 0 0 28 -4,-2.5 4,-2.4 1,-0.2 -2,-0.2 0.881 110.1 53.7 -62.7 -38.5 50.3 -7.2 25.3 98 103 A A H X S+ 0 0 0 -4,-2.2 4,-2.6 2,-0.2 -1,-0.2 0.880 107.5 49.2 -65.8 -39.7 46.6 -8.0 24.6 99 104 A I H X S+ 0 0 23 -4,-2.1 4,-2.6 2,-0.2 -1,-0.2 0.885 110.2 52.1 -68.1 -39.1 47.3 -11.7 23.8 100 105 A V H X S+ 0 0 104 -4,-2.0 4,-1.9 2,-0.2 -2,-0.2 0.935 111.2 47.6 -56.7 -49.3 49.3 -11.9 27.1 101 106 A L H X S+ 0 0 33 -4,-2.4 4,-2.2 1,-0.2 -2,-0.2 0.935 112.8 47.9 -58.2 -50.2 46.3 -10.5 28.9 102 107 A E H X S+ 0 0 0 -4,-2.6 4,-3.1 1,-0.2 5,-0.2 0.908 108.3 53.7 -61.5 -40.9 43.9 -12.8 27.2 103 108 A K H X S+ 0 0 132 -4,-2.6 4,-2.3 1,-0.2 -1,-0.2 0.871 108.9 50.4 -62.9 -35.6 46.0 -15.9 27.9 104 109 A S H X S+ 0 0 61 -4,-1.9 4,-2.2 2,-0.2 -1,-0.2 0.895 111.4 47.8 -66.8 -39.1 46.0 -15.0 31.6 105 110 A L H X S+ 0 0 2 -4,-2.2 4,-2.2 2,-0.2 -2,-0.2 0.933 112.3 50.3 -63.2 -46.2 42.2 -14.6 31.6 106 111 A N H X S+ 0 0 30 -4,-3.1 4,-2.6 2,-0.2 -2,-0.2 0.919 109.3 50.0 -59.2 -42.6 41.9 -17.9 29.8 107 112 A Q H X S+ 0 0 99 -4,-2.3 4,-3.0 1,-0.2 -1,-0.2 0.910 109.3 52.2 -66.2 -38.4 44.1 -19.7 32.3 108 113 A A H X S+ 0 0 20 -4,-2.2 4,-2.4 2,-0.2 -1,-0.2 0.911 110.6 48.1 -58.6 -43.4 42.1 -18.2 35.1 109 114 A L H X S+ 0 0 0 -4,-2.2 4,-2.4 2,-0.2 -2,-0.2 0.907 112.6 48.8 -62.6 -44.6 38.9 -19.6 33.4 110 115 A L H X S+ 0 0 75 -4,-2.6 4,-2.3 2,-0.2 -2,-0.2 0.914 111.4 49.6 -63.2 -45.0 40.6 -23.0 33.0 111 116 A D H X S+ 0 0 95 -4,-3.0 4,-2.2 2,-0.2 -2,-0.2 0.915 111.4 48.8 -58.3 -43.5 41.7 -22.9 36.6 112 117 A L H X S+ 0 0 6 -4,-2.4 4,-2.7 1,-0.2 -2,-0.2 0.894 110.0 52.0 -65.2 -38.0 38.1 -22.1 37.8 113 118 A H H X S+ 0 0 38 -4,-2.4 4,-2.8 2,-0.2 -1,-0.2 0.908 108.6 50.4 -63.0 -41.5 36.7 -24.8 35.6 114 119 A A H X S+ 0 0 58 -4,-2.3 4,-2.5 2,-0.2 -2,-0.2 0.907 110.7 49.7 -64.3 -40.6 39.1 -27.4 37.2 115 120 A L H X S+ 0 0 48 -4,-2.2 4,-2.6 2,-0.2 -2,-0.2 0.941 110.8 49.8 -61.0 -48.8 38.1 -26.2 40.7 116 121 A G H <>S+ 0 0 0 -4,-2.7 5,-2.6 2,-0.2 4,-0.2 0.915 110.3 49.6 -56.2 -45.0 34.4 -26.6 39.7 117 122 A S H ><5S+ 0 0 66 -4,-2.8 3,-1.2 1,-0.2 -1,-0.2 0.926 112.6 47.9 -61.3 -43.3 35.1 -30.1 38.4 118 123 A A H 3<5S+ 0 0 88 -4,-2.5 -2,-0.2 1,-0.3 -1,-0.2 0.843 113.7 46.5 -65.3 -37.7 36.9 -31.0 41.6 119 124 A Q T 3<5S- 0 0 71 -4,-2.6 -1,-0.3 -5,-0.1 -2,-0.2 0.350 112.8-122.3 -80.7 3.6 34.0 -29.5 43.7 120 125 A A T < 5 + 0 0 65 -3,-1.2 -3,-0.2 -4,-0.2 -2,-0.1 0.956 59.8 150.8 48.2 56.7 31.5 -31.4 41.5 121 126 A D >< + 0 0 2 -5,-2.6 4,-1.9 1,-0.1 3,-0.3 -0.755 15.5 171.2-116.8 77.8 29.8 -28.1 40.5 122 127 A P H > S+ 0 0 92 0, 0.0 4,-2.8 0, 0.0 5,-0.2 0.786 73.9 61.4 -65.2 -25.1 28.4 -28.8 37.0 123 128 A H H > S+ 0 0 84 2,-0.2 4,-2.7 1,-0.2 5,-0.1 0.942 107.4 45.5 -65.5 -42.8 26.4 -25.6 36.9 124 129 A L H > S+ 0 0 0 -3,-0.3 4,-2.5 2,-0.2 5,-0.2 0.937 112.4 51.1 -60.4 -49.4 29.6 -23.6 37.2 125 130 A C H X S+ 0 0 13 -4,-1.9 4,-1.6 1,-0.2 -2,-0.2 0.916 113.5 44.6 -55.4 -48.3 31.3 -25.8 34.6 126 131 A D H X S+ 0 0 89 -4,-2.8 4,-2.7 2,-0.2 5,-0.2 0.880 110.0 55.8 -60.2 -45.9 28.4 -25.3 32.2 127 132 A F H X S+ 0 0 13 -4,-2.7 4,-2.0 1,-0.2 5,-0.3 0.937 110.9 43.9 -53.8 -50.1 28.3 -21.6 32.9 128 133 A L H X>S+ 0 0 0 -4,-2.5 5,-2.7 1,-0.2 4,-1.8 0.851 114.3 49.8 -64.2 -36.8 32.0 -21.2 32.0 129 134 A E H <>S+ 0 0 94 -4,-1.6 5,-0.8 -5,-0.2 -2,-0.2 0.906 113.8 45.0 -71.3 -39.5 31.7 -23.4 28.9 130 135 A S H <5S+ 0 0 71 -4,-2.7 -2,-0.2 1,-0.1 -1,-0.2 0.821 128.7 19.1 -75.7 -37.6 28.7 -21.6 27.5 131 136 A H H <5S+ 0 0 78 -4,-2.0 -2,-0.2 -5,-0.2 -3,-0.2 0.570 132.0 20.8-111.0 -12.2 29.7 -17.9 28.0 132 137 A F T X5S+ 0 0 1 -4,-1.8 4,-2.7 -5,-0.3 5,-0.2 0.737 104.8 60.2-129.0 -49.4 33.5 -17.8 28.5 133 138 A L H > S+ 0 0 67 1,-0.2 4,-2.4 2,-0.2 -2,-0.2 0.910 110.6 46.6 -53.0 -48.2 34.6 -16.7 23.5 136 141 A E H X S+ 0 0 0 -4,-2.7 4,-2.8 2,-0.2 5,-0.2 0.919 111.8 49.7 -61.2 -49.6 38.2 -16.6 24.8 137 142 A V H X S+ 0 0 83 -4,-2.1 4,-2.3 -5,-0.2 -2,-0.2 0.954 113.0 47.3 -55.4 -48.7 39.4 -19.2 22.3 138 143 A K H X S+ 0 0 134 -4,-3.0 4,-2.2 1,-0.2 -2,-0.2 0.918 113.2 48.5 -58.6 -43.9 37.8 -17.2 19.4 139 144 A L H X S+ 0 0 24 -4,-2.4 4,-2.4 1,-0.2 -1,-0.2 0.914 110.6 49.9 -66.0 -42.9 39.3 -13.9 20.7 140 145 A I H X S+ 0 0 36 -4,-2.8 4,-2.3 2,-0.2 -1,-0.2 0.885 109.7 51.4 -63.3 -39.3 42.8 -15.4 21.1 141 146 A K H X S+ 0 0 129 -4,-2.3 4,-2.4 -5,-0.2 -2,-0.2 0.937 110.5 49.6 -60.3 -45.0 42.7 -16.8 17.5 142 147 A K H X S+ 0 0 116 -4,-2.2 4,-2.5 1,-0.2 -2,-0.2 0.908 111.8 47.9 -59.7 -44.4 41.6 -13.4 16.2 143 148 A M H X S+ 0 0 0 -4,-2.4 4,-2.9 1,-0.2 -1,-0.2 0.873 110.6 51.0 -66.7 -39.5 44.5 -11.7 18.0 144 149 A G H X S+ 0 0 26 -4,-2.3 4,-2.3 2,-0.2 -1,-0.2 0.905 109.8 50.3 -61.2 -43.7 46.9 -14.3 16.7 145 150 A D H X S+ 0 0 67 -4,-2.4 4,-2.0 2,-0.2 -2,-0.2 0.920 112.6 47.6 -59.5 -44.6 45.7 -13.7 13.2 146 151 A H H X S+ 0 0 21 -4,-2.5 4,-3.0 1,-0.2 5,-0.2 0.917 109.0 53.5 -63.6 -45.4 46.1 -9.9 13.7 147 152 A L H X S+ 0 0 28 -4,-2.9 4,-2.7 1,-0.2 -1,-0.2 0.911 108.4 49.6 -54.0 -46.5 49.6 -10.4 15.1 148 153 A T H X S+ 0 0 68 -4,-2.3 4,-2.3 2,-0.2 -1,-0.2 0.919 113.3 46.5 -58.7 -45.7 50.7 -12.4 12.1 149 154 A N H X S+ 0 0 58 -4,-2.0 4,-1.5 2,-0.2 -2,-0.2 0.914 112.2 49.5 -65.5 -44.5 49.3 -9.7 9.7 150 155 A I H >X S+ 0 0 3 -4,-3.0 4,-1.0 2,-0.2 3,-0.5 0.956 112.6 48.3 -55.7 -48.7 51.0 -6.9 11.7 151 156 A Q H >< S+ 0 0 99 -4,-2.7 3,-0.5 1,-0.3 -2,-0.2 0.887 108.0 54.0 -65.0 -41.2 54.3 -8.8 11.7 152 157 A R H 3< S+ 0 0 170 -4,-2.3 3,-0.5 1,-0.2 -1,-0.3 0.843 113.8 43.6 -55.5 -37.5 54.1 -9.5 7.9 153 158 A L H << S+ 0 0 49 -4,-1.5 8,-0.2 -3,-0.5 -1,-0.2 0.631 100.3 69.4 -83.8 -17.4 53.6 -5.8 7.3 154 159 A V S << S+ 0 0 49 -4,-1.0 2,-0.2 -3,-0.5 -1,-0.2 -0.026 79.0 79.9-115.2 24.2 56.2 -4.4 9.7 155 160 A G S S+ 0 0 42 -3,-0.5 2,-0.5 2,-0.1 6,-0.2 0.059 94.0 35.9 -73.4-151.9 59.1 -5.5 7.8 156 161 A S S S- 0 0 102 -2,-0.2 2,-0.2 1,-0.1 -2,-0.1 -0.683 135.6 -9.7 70.7-121.9 59.4 -2.9 5.1 157 162 A Q > - 0 0 144 -2,-0.5 4,-2.2 -4,-0.2 -2,-0.1 -0.885 68.1-156.8 92.3 54.4 58.6 0.3 6.1 158 163 A A H > S+ 0 0 56 2,-0.2 4,-2.5 -4,-0.2 5,-0.2 0.871 90.7 52.0 -66.1 -44.7 57.0 -0.1 9.6 159 164 A G H > S+ 0 0 56 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.948 111.2 47.6 -58.7 -49.3 55.0 3.2 9.4 160 165 A L H > S+ 0 0 90 1,-0.2 4,-2.6 2,-0.2 -2,-0.2 0.924 113.0 50.2 -54.6 -47.2 53.4 2.3 6.1 161 166 A G H X S+ 0 0 2 -4,-2.2 4,-2.3 -8,-0.2 -2,-0.2 0.909 109.1 49.3 -60.3 -44.0 52.6 -1.2 7.5 162 167 A E H X S+ 0 0 42 -4,-2.5 4,-2.1 1,-0.2 -1,-0.2 0.917 112.9 48.6 -66.0 -40.5 51.0 0.1 10.7 163 168 A Y H X S+ 0 0 133 -4,-2.3 4,-2.4 -5,-0.2 -2,-0.2 0.950 112.1 47.8 -60.1 -50.6 48.8 2.5 8.6 164 169 A L H X S+ 0 0 60 -4,-2.6 4,-3.0 2,-0.2 5,-0.4 0.894 110.4 51.4 -63.6 -39.4 47.7 -0.1 6.1 165 170 A F H X>S+ 0 0 2 -4,-2.3 4,-2.3 1,-0.2 5,-1.7 0.949 112.4 46.3 -60.4 -47.7 46.8 -2.6 8.8 166 171 A E H <5S+ 0 0 8 -4,-2.1 -2,-0.2 -5,-0.2 -1,-0.2 0.886 119.0 41.6 -62.5 -39.6 44.7 -0.1 10.6 167 172 A R H <5S+ 0 0 129 -4,-2.4 -2,-0.2 3,-0.2 -1,-0.2 0.875 125.2 30.8 -76.0 -39.8 43.0 1.0 7.4 168 173 A L H <5S+ 0 0 139 -4,-3.0 -3,-0.2 -5,-0.2 -2,-0.2 0.648 130.8 25.2-103.6 -22.2 42.5 -2.4 5.7 169 174 A T T <5 0 0 71 -4,-2.3 -3,-0.2 -5,-0.4 -4,-0.1 0.770 360.0 360.0-104.1 -47.4 42.0 -4.8 8.6 170 175 A L < 0 0 59 -5,-1.7 -3,-0.2 0, 0.0 -4,-0.1 0.769 360.0 360.0 -85.2 360.0 40.7 -2.9 11.5