==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-JAN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER METAL BINDING PROTEIN 24-FEB-10 3AF8 . COMPND 2 MOLECULE: FERRITIN LIGHT CHAIN; . SOURCE 2 ORGANISM_SCIENTIFIC: EQUUS CABALLUS; . AUTHOR S.ABE,T.HIKAGE,Y.WATANABE,S.KITAGAWA,T.UENO . 172 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) . 133 77.3 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 1.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 8 4.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 116 67.4 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 1 0 0 0 0 0 3 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 2 X S 0 0 94 0, 0.0 71,-0.0 0, 0.0 72,-0.0 0.000 360.0 360.0 360.0 139.9 -51.4 -20.7 -16.5 2 3 X Q + 0 0 198 3,-0.0 70,-0.0 1,-0.0 0, 0.0 0.122 360.0 62.2-124.1 18.1 -51.3 -18.1 -19.3 3 4 X I + 0 0 106 69,-0.1 69,-0.1 2,-0.0 2,-0.0 0.581 66.2 122.0-113.8 -17.2 -47.8 -18.9 -20.5 4 5 X R + 0 0 89 68,-0.2 2,-0.3 2,-0.0 68,-0.1 -0.281 30.6 160.8 -62.5 129.8 -48.0 -22.5 -21.6 5 6 X Q - 0 0 158 66,-0.5 3,-0.1 3,-0.0 -3,-0.0 -0.938 63.9 -8.5-153.7 124.3 -47.0 -23.0 -25.2 6 7 X N S S+ 0 0 93 -2,-0.3 2,-0.6 1,-0.2 -2,-0.0 0.775 91.9 131.2 61.9 30.6 -45.8 -26.1 -27.1 7 8 X Y - 0 0 12 64,-0.1 -1,-0.2 117,-0.0 114,-0.0 -0.898 47.3-147.7-121.0 102.1 -45.7 -28.1 -23.8 8 9 X S > - 0 0 20 -2,-0.6 4,-2.5 1,-0.1 5,-0.1 -0.246 20.2-126.1 -71.8 154.9 -47.5 -31.4 -24.0 9 10 X T H > S+ 0 0 90 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.850 112.7 59.0 -64.2 -31.5 -49.4 -33.1 -21.2 10 11 X E H > S+ 0 0 99 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.931 108.3 42.3 -62.6 -47.8 -47.2 -36.1 -21.9 11 12 X V H > S+ 0 0 0 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.926 111.8 55.8 -64.7 -44.8 -44.0 -34.2 -21.3 12 13 X E H X S+ 0 0 31 -4,-2.5 4,-1.9 1,-0.2 -2,-0.2 0.919 111.3 43.7 -53.1 -47.5 -45.4 -32.5 -18.2 13 14 X A H X S+ 0 0 59 -4,-2.4 4,-2.2 1,-0.2 -1,-0.2 0.896 113.0 51.0 -65.6 -41.6 -46.3 -35.9 -16.7 14 15 X A H X S+ 0 0 26 -4,-2.2 4,-2.3 2,-0.2 -1,-0.2 0.834 107.3 54.3 -67.3 -33.5 -42.9 -37.4 -17.6 15 16 X V H X S+ 0 0 0 -4,-2.7 4,-2.4 2,-0.2 -1,-0.2 0.932 107.8 49.8 -63.7 -46.0 -41.1 -34.4 -16.1 16 17 X N H X S+ 0 0 18 -4,-1.9 4,-1.8 1,-0.2 -2,-0.2 0.912 111.7 48.9 -57.9 -41.9 -43.0 -35.1 -12.8 17 18 X R H X S+ 0 0 154 -4,-2.2 4,-2.3 1,-0.2 -1,-0.2 0.900 109.7 51.6 -63.7 -41.3 -42.0 -38.7 -13.0 18 19 X L H X S+ 0 0 4 -4,-2.3 4,-2.5 2,-0.2 -2,-0.2 0.889 105.6 55.0 -66.2 -37.0 -38.3 -37.8 -13.6 19 20 X V H X S+ 0 0 2 -4,-2.4 4,-2.6 2,-0.2 -1,-0.2 0.927 108.2 50.1 -58.2 -45.2 -38.4 -35.4 -10.6 20 21 X N H X S+ 0 0 36 -4,-1.8 4,-2.6 1,-0.2 -2,-0.2 0.924 109.8 50.0 -60.0 -43.5 -39.5 -38.4 -8.5 21 22 X L H X S+ 0 0 42 -4,-2.3 4,-2.1 1,-0.2 -1,-0.2 0.883 111.9 48.0 -63.4 -39.7 -36.7 -40.6 -9.9 22 23 X Y H X S+ 0 0 7 -4,-2.5 4,-2.6 2,-0.2 -1,-0.2 0.907 112.6 48.0 -68.0 -41.3 -34.1 -37.9 -9.1 23 24 X L H X S+ 0 0 41 -4,-2.6 4,-2.3 2,-0.2 -2,-0.2 0.890 111.7 50.2 -66.7 -37.4 -35.4 -37.4 -5.6 24 25 X R H X S+ 0 0 87 -4,-2.6 4,-2.4 -5,-0.2 -2,-0.2 0.892 110.2 50.5 -67.8 -36.7 -35.4 -41.2 -5.0 25 26 X A H X S+ 0 0 0 -4,-2.1 4,-2.7 2,-0.2 -2,-0.2 0.922 109.2 51.4 -63.3 -43.2 -31.8 -41.3 -6.3 26 27 X S H X S+ 0 0 21 -4,-2.6 4,-2.2 1,-0.2 -2,-0.2 0.924 110.5 49.1 -58.2 -43.6 -30.9 -38.5 -3.9 27 28 X Y H X S+ 0 0 104 -4,-2.3 4,-2.1 2,-0.2 -1,-0.2 0.905 109.1 52.1 -62.5 -44.7 -32.5 -40.5 -1.1 28 29 X T H X S+ 0 0 14 -4,-2.4 4,-2.6 1,-0.2 -2,-0.2 0.924 110.7 48.0 -57.6 -45.9 -30.6 -43.6 -2.1 29 30 X Y H X S+ 0 0 0 -4,-2.7 4,-2.9 2,-0.2 -2,-0.2 0.852 106.7 56.4 -67.5 -32.8 -27.3 -41.6 -2.0 30 31 X L H X S+ 0 0 79 -4,-2.2 4,-2.1 2,-0.2 -1,-0.2 0.935 110.6 45.4 -58.8 -46.3 -28.2 -40.2 1.4 31 32 X S H X S+ 0 0 34 -4,-2.1 4,-1.9 2,-0.2 -2,-0.2 0.921 112.7 50.1 -64.9 -44.5 -28.5 -43.8 2.7 32 33 X L H X S+ 0 0 1 -4,-2.6 4,-1.8 1,-0.2 -2,-0.2 0.940 109.9 51.4 -56.9 -48.9 -25.3 -44.9 1.0 33 34 X G H X S+ 0 0 0 -4,-2.9 4,-0.6 1,-0.2 -2,-0.2 0.922 111.9 44.7 -55.6 -50.1 -23.4 -41.9 2.5 34 35 X F H < S+ 0 0 107 -4,-2.1 3,-0.5 1,-0.2 4,-0.4 0.812 106.6 60.4 -71.1 -25.8 -24.5 -42.6 6.1 35 36 X Y H >< S+ 0 0 32 -4,-1.9 3,-1.4 1,-0.2 7,-0.3 0.919 104.1 49.8 -63.8 -43.4 -23.8 -46.3 5.8 36 37 X F H 3< S+ 0 0 0 -4,-1.8 7,-2.5 1,-0.3 11,-0.3 0.624 104.6 60.2 -74.2 -8.8 -20.1 -45.6 5.0 37 38 X D T 3< S+ 0 0 71 -4,-0.6 -1,-0.3 -3,-0.5 -2,-0.2 0.461 77.9 118.3 -92.0 -6.0 -20.1 -43.3 8.1 38 39 X R S X> S- 0 0 80 -3,-1.4 4,-2.3 -4,-0.4 3,-2.0 -0.338 75.7-123.6 -56.3 141.1 -21.0 -46.2 10.4 39 40 X D T 34 S+ 0 0 155 1,-0.3 -1,-0.1 2,-0.2 -3,-0.0 0.793 113.3 52.3 -60.7 -25.2 -18.3 -46.9 13.0 40 41 X D T 34 S+ 0 0 102 1,-0.1 -1,-0.3 0, 0.0 -2,-0.1 0.266 120.5 32.4 -94.4 10.1 -18.1 -50.5 11.7 41 42 X V T <4 S+ 0 0 32 -3,-2.0 -2,-0.2 -6,-0.1 -5,-0.1 0.557 78.5 171.5-123.5 -64.2 -17.6 -49.4 8.1 42 43 X A < + 0 0 60 -4,-2.3 2,-0.4 -7,-0.3 -5,-0.2 0.908 17.3 142.6 59.8 57.3 -15.7 -46.1 8.5 43 44 X L >> + 0 0 15 -7,-2.5 4,-2.2 1,-0.1 3,-1.0 -0.766 21.6 179.5-126.5 84.2 -14.7 -45.1 5.0 44 45 X E H 3> S+ 0 0 57 -2,-0.4 4,-2.8 1,-0.3 5,-0.2 0.841 77.1 59.2 -65.5 -31.7 -15.1 -41.4 5.0 45 46 X G H 3> S+ 0 0 1 1,-0.2 4,-1.9 2,-0.2 126,-0.3 0.864 110.1 45.8 -58.0 -35.8 -13.9 -40.9 1.4 46 47 X V H <> S+ 0 0 0 -3,-1.0 4,-2.4 2,-0.2 5,-0.2 0.903 109.6 53.3 -75.5 -43.4 -16.9 -43.1 0.4 47 48 X C H X S+ 0 0 1 -4,-2.2 4,-2.5 -11,-0.3 5,-0.2 0.951 112.1 45.8 -49.8 -52.0 -19.3 -41.3 2.7 48 49 X H H X S+ 0 0 83 -4,-2.8 4,-2.4 1,-0.2 5,-0.2 0.904 108.9 55.8 -64.6 -40.0 -18.3 -37.9 1.1 49 50 X F H X S+ 0 0 29 -4,-1.9 4,-1.6 -5,-0.2 -1,-0.2 0.940 114.0 38.9 -58.1 -49.8 -18.6 -39.3 -2.5 50 51 X F H X S+ 0 0 0 -4,-2.4 4,-2.2 2,-0.2 -1,-0.2 0.849 112.6 55.1 -74.1 -33.3 -22.2 -40.5 -2.0 51 52 X R H X S+ 0 0 65 -4,-2.5 4,-1.8 -5,-0.2 -1,-0.2 0.890 107.2 51.6 -64.0 -39.0 -23.3 -37.5 0.1 52 53 X E H X S+ 0 0 86 -4,-2.4 4,-2.4 -5,-0.2 -2,-0.2 0.920 109.3 50.8 -62.2 -41.5 -22.1 -35.2 -2.8 53 54 X L H X S+ 0 0 4 -4,-1.6 4,-2.6 1,-0.2 5,-0.2 0.882 104.6 56.6 -65.3 -36.9 -24.1 -37.3 -5.2 54 55 X A H X S+ 0 0 8 -4,-2.2 4,-2.0 1,-0.2 -1,-0.2 0.925 109.2 47.2 -58.3 -41.7 -27.2 -36.9 -3.0 55 56 X E H X S+ 0 0 86 -4,-1.8 4,-2.6 1,-0.2 -2,-0.2 0.928 110.9 51.2 -65.5 -45.3 -26.8 -33.2 -3.3 56 57 X E H X S+ 0 0 71 -4,-2.4 4,-2.1 1,-0.2 -2,-0.2 0.890 110.5 48.2 -58.0 -43.4 -26.3 -33.4 -7.1 57 58 X K H X S+ 0 0 8 -4,-2.6 4,-2.3 2,-0.2 -1,-0.2 0.893 110.8 50.7 -70.0 -37.1 -29.5 -35.5 -7.5 58 59 X R H X S+ 0 0 84 -4,-2.0 4,-2.3 -5,-0.2 -2,-0.2 0.929 110.0 50.6 -62.5 -43.6 -31.5 -33.1 -5.3 59 60 X E H X S+ 0 0 85 -4,-2.6 4,-2.4 1,-0.2 -2,-0.2 0.893 108.2 53.3 -61.3 -38.5 -30.2 -30.2 -7.4 60 61 X G H X S+ 0 0 8 -4,-2.1 4,-2.2 2,-0.2 -1,-0.2 0.926 108.5 49.2 -61.4 -47.2 -31.3 -32.0 -10.6 61 62 X A H X S+ 0 0 0 -4,-2.3 4,-2.2 1,-0.2 -1,-0.2 0.910 111.0 50.3 -57.2 -43.2 -34.8 -32.5 -9.3 62 63 X E H X S+ 0 0 90 -4,-2.3 4,-2.5 2,-0.2 -2,-0.2 0.876 108.0 52.3 -67.1 -36.8 -35.0 -28.8 -8.4 63 64 X R H X S+ 0 0 118 -4,-2.4 4,-2.4 2,-0.2 -1,-0.2 0.919 110.5 49.2 -63.4 -42.2 -33.8 -27.8 -11.9 64 65 X L H X S+ 0 0 0 -4,-2.2 4,-2.5 2,-0.2 -2,-0.2 0.901 110.8 49.6 -62.5 -41.7 -36.6 -29.9 -13.4 65 66 X L H X S+ 0 0 34 -4,-2.2 4,-2.1 2,-0.2 -2,-0.2 0.908 110.0 50.9 -65.9 -40.9 -39.2 -28.4 -11.0 66 67 X K H X S+ 0 0 144 -4,-2.5 4,-2.3 1,-0.2 -2,-0.2 0.932 111.8 47.9 -59.4 -45.8 -38.0 -24.9 -12.0 67 68 X M H X S+ 0 0 0 -4,-2.4 4,-2.2 2,-0.2 6,-0.2 0.897 105.7 58.3 -62.7 -41.1 -38.3 -25.8 -15.7 68 69 X Q H X>S+ 0 0 0 -4,-2.5 5,-2.2 1,-0.2 4,-0.6 0.940 111.3 42.1 -54.5 -49.5 -41.8 -27.3 -15.1 69 70 X N H ><5S+ 0 0 92 -4,-2.1 3,-0.8 1,-0.2 -1,-0.2 0.875 109.4 57.7 -66.4 -37.8 -43.0 -23.9 -13.8 70 71 X Q H 3<5S+ 0 0 113 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.862 110.8 44.7 -59.3 -35.0 -41.1 -22.0 -16.5 71 72 X R H 3<5S- 0 0 26 -4,-2.2 -66,-0.5 -3,-0.2 -1,-0.2 0.553 118.8-110.0 -86.1 -9.7 -43.1 -24.0 -19.1 72 73 X G T <<5S+ 0 0 2 -3,-0.8 -3,-0.2 -4,-0.6 -68,-0.2 0.575 73.5 134.6 88.5 9.4 -46.4 -23.6 -17.3 73 74 X G < - 0 0 0 -5,-2.2 2,-0.5 -6,-0.2 -1,-0.3 -0.311 54.7-116.2 -79.0 172.3 -46.7 -27.2 -16.2 74 75 X R - 0 0 117 -2,-0.1 2,-0.1 -3,-0.1 -58,-0.1 -0.960 18.0-127.0-123.0 121.5 -47.7 -28.2 -12.7 75 76 X A - 0 0 35 -2,-0.5 2,-0.4 -10,-0.1 -62,-0.1 -0.422 26.2-175.0 -61.7 132.4 -45.5 -30.0 -10.3 76 77 X L - 0 0 114 -2,-0.1 2,-0.3 -63,-0.1 -2,-0.0 -0.991 9.5-153.5-132.3 127.1 -47.1 -33.1 -8.8 77 78 X F - 0 0 125 -2,-0.4 2,-0.3 -58,-0.1 -60,-0.1 -0.755 9.5-170.7-103.0 143.5 -45.2 -35.0 -6.1 78 79 X Q - 0 0 139 -2,-0.3 -2,-0.0 -62,-0.2 0, 0.0 -0.753 41.1 -68.4-119.2 171.4 -45.5 -38.7 -5.3 79 80 X D - 0 0 125 -2,-0.3 2,-0.7 1,-0.1 -1,-0.2 -0.243 44.6-127.9 -52.0 147.8 -44.2 -40.8 -2.4 80 81 X L - 0 0 71 -57,-0.1 2,-0.1 -3,-0.1 -1,-0.1 -0.914 24.3-134.8 -98.7 112.7 -40.5 -41.3 -2.4 81 82 X Q - 0 0 110 -2,-0.7 3,-0.1 1,-0.1 -54,-0.1 -0.428 25.4-107.7 -65.0 138.6 -39.8 -45.0 -2.1 82 83 X K - 0 0 135 1,-0.1 -1,-0.1 -2,-0.1 -54,-0.1 -0.256 49.8 -80.7 -59.4 154.6 -37.2 -45.9 0.4 83 84 X P - 0 0 14 0, 0.0 -1,-0.1 0, 0.0 -58,-0.1 -0.148 39.9-111.5 -59.1 158.5 -33.8 -47.1 -1.0 84 85 X S S S+ 0 0 90 -3,-0.1 2,-0.3 2,-0.1 -2,-0.1 0.635 96.7 34.0 -71.6 -17.8 -33.5 -50.7 -2.2 85 86 X Q - 0 0 81 1,-0.1 3,-0.1 -57,-0.0 -54,-0.0 -0.958 53.8-157.3-134.9 153.3 -31.1 -51.7 0.6 86 87 X D S S+ 0 0 128 -2,-0.3 2,-0.4 1,-0.3 -1,-0.1 0.689 93.3 35.0 -94.5 -30.1 -30.6 -50.8 4.3 87 88 X E - 0 0 116 1,-0.0 -1,-0.3 -52,-0.0 -55,-0.1 -0.980 69.4-158.7-125.8 142.5 -26.9 -52.0 4.3 88 89 X W - 0 0 4 -2,-0.4 9,-0.2 1,-0.3 2,-0.1 0.336 21.0-145.1-113.4 7.4 -24.7 -51.6 1.2 89 90 X G - 0 0 29 4,-0.1 -1,-0.3 5,-0.1 2,-0.1 -0.409 55.9 -5.2 72.6-141.3 -21.9 -54.1 1.5 90 91 X T S > S- 0 0 58 -2,-0.1 4,-2.7 1,-0.1 5,-0.2 -0.336 73.7-101.9 -83.4 169.4 -18.4 -53.2 0.3 91 92 X T H > S+ 0 0 2 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.911 127.2 53.6 -54.3 -42.4 -17.3 -50.1 -1.6 92 93 X L H > S+ 0 0 30 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.939 108.3 47.4 -57.8 -50.0 -17.4 -52.4 -4.7 93 94 X D H > S+ 0 0 77 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.915 114.3 48.5 -56.7 -44.4 -21.0 -53.4 -4.0 94 95 X A H X S+ 0 0 0 -4,-2.7 4,-2.5 2,-0.2 -2,-0.2 0.907 110.6 48.3 -64.6 -44.7 -21.9 -49.8 -3.4 95 96 X M H X S+ 0 0 0 -4,-2.9 4,-2.3 2,-0.2 -1,-0.2 0.879 110.9 52.4 -66.7 -36.0 -20.3 -48.5 -6.6 96 97 X K H X S+ 0 0 96 -4,-2.4 4,-2.1 -5,-0.2 -2,-0.2 0.933 110.8 47.4 -61.6 -45.9 -22.0 -51.3 -8.6 97 98 X A H X S+ 0 0 25 -4,-2.4 4,-2.4 1,-0.2 -2,-0.2 0.895 110.7 52.6 -61.8 -40.5 -25.4 -50.3 -7.1 98 99 X A H X S+ 0 0 0 -4,-2.5 4,-2.8 2,-0.2 -1,-0.2 0.907 108.3 49.4 -64.0 -42.5 -24.6 -46.6 -7.9 99 100 X I H X S+ 0 0 21 -4,-2.3 4,-2.7 2,-0.2 -1,-0.2 0.898 110.6 50.5 -62.7 -41.6 -23.8 -47.5 -11.6 100 101 X V H X S+ 0 0 102 -4,-2.1 4,-1.9 2,-0.2 -2,-0.2 0.934 112.1 48.3 -60.8 -45.4 -27.0 -49.4 -11.9 101 102 X L H X S+ 0 0 33 -4,-2.4 4,-2.1 1,-0.2 -2,-0.2 0.928 112.2 47.8 -60.6 -46.6 -28.9 -46.4 -10.5 102 103 X E H X S+ 0 0 0 -4,-2.8 4,-3.1 1,-0.2 -2,-0.2 0.897 108.2 54.2 -65.9 -39.3 -27.2 -44.0 -12.8 103 104 X K H X S+ 0 0 129 -4,-2.7 4,-2.5 1,-0.2 -1,-0.2 0.892 109.0 50.2 -60.8 -38.1 -27.9 -46.1 -15.9 104 105 X S H X S+ 0 0 64 -4,-1.9 4,-1.9 2,-0.2 -2,-0.2 0.909 111.8 46.6 -67.3 -38.9 -31.5 -46.1 -14.9 105 106 X L H X S+ 0 0 2 -4,-2.1 4,-2.3 2,-0.2 -2,-0.2 0.928 112.1 52.0 -66.1 -43.0 -31.6 -42.3 -14.5 106 107 X N H X S+ 0 0 31 -4,-3.1 4,-2.6 1,-0.2 -2,-0.2 0.910 108.3 49.8 -61.2 -43.0 -29.7 -42.0 -17.9 107 108 X Q H X S+ 0 0 101 -4,-2.5 4,-2.7 1,-0.2 -1,-0.2 0.897 109.2 52.7 -64.4 -36.6 -32.3 -44.2 -19.6 108 109 X A H X S+ 0 0 10 -4,-1.9 4,-2.3 2,-0.2 -1,-0.2 0.891 109.9 48.3 -63.6 -40.2 -35.1 -42.0 -18.1 109 110 X L H X S+ 0 0 0 -4,-2.3 4,-2.6 2,-0.2 -2,-0.2 0.923 112.7 48.3 -61.7 -46.3 -33.3 -38.9 -19.5 110 111 X L H X S+ 0 0 75 -4,-2.6 4,-2.4 2,-0.2 -2,-0.2 0.901 111.1 50.3 -62.6 -40.9 -33.0 -40.5 -22.9 111 112 X D H X S+ 0 0 90 -4,-2.7 4,-2.2 2,-0.2 -1,-0.2 0.917 112.1 47.4 -63.6 -43.6 -36.6 -41.6 -22.9 112 113 X L H X S+ 0 0 7 -4,-2.3 4,-2.9 2,-0.2 -2,-0.2 0.895 110.4 52.1 -66.3 -39.4 -37.8 -38.1 -22.0 113 114 X H H X S+ 0 0 38 -4,-2.6 4,-2.7 2,-0.2 -2,-0.2 0.926 110.0 49.3 -60.7 -43.8 -35.5 -36.6 -24.7 114 115 X A H X S+ 0 0 58 -4,-2.4 4,-2.6 2,-0.2 -2,-0.2 0.887 111.1 49.8 -62.1 -41.0 -37.0 -39.0 -27.3 115 116 X L H X S+ 0 0 51 -4,-2.2 4,-2.1 2,-0.2 -2,-0.2 0.936 110.9 49.1 -63.5 -47.8 -40.5 -38.0 -26.1 116 117 X G H <>S+ 0 0 0 -4,-2.9 5,-2.7 1,-0.2 -2,-0.2 0.912 112.1 48.9 -56.5 -44.1 -39.7 -34.3 -26.4 117 118 X S H ><5S+ 0 0 65 -4,-2.7 3,-1.5 1,-0.2 -2,-0.2 0.919 110.6 50.1 -62.2 -44.6 -38.3 -34.9 -29.9 118 119 X A H 3<5S+ 0 0 88 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.833 112.4 48.1 -61.7 -34.5 -41.4 -36.8 -30.9 119 120 X Q T 3<5S- 0 0 73 -4,-2.1 -1,-0.3 -5,-0.1 -2,-0.2 0.320 113.7-119.0 -87.8 6.5 -43.6 -33.9 -29.6 120 121 X A T < 5 + 0 0 68 -3,-1.5 -3,-0.2 1,-0.2 3,-0.1 0.943 63.1 149.2 49.0 53.9 -41.4 -31.3 -31.4 121 122 X D >< + 0 0 2 -5,-2.7 4,-2.0 1,-0.1 -1,-0.2 -0.786 15.7 169.7-114.5 80.4 -40.5 -29.7 -28.1 122 123 X P H > S+ 0 0 95 0, 0.0 4,-2.9 0, 0.0 5,-0.2 0.791 73.7 60.4 -69.6 -26.3 -37.0 -28.3 -28.7 123 124 X H H > S+ 0 0 86 2,-0.2 4,-2.5 1,-0.2 5,-0.1 0.944 108.1 45.2 -63.5 -44.1 -36.9 -26.3 -25.5 124 125 X L H > S+ 0 0 0 2,-0.2 4,-2.1 1,-0.2 5,-0.2 0.936 113.7 49.2 -61.3 -48.2 -37.3 -29.6 -23.5 125 126 X A H X S+ 0 0 10 -4,-2.0 4,-2.3 1,-0.2 -2,-0.2 0.933 113.7 45.7 -56.9 -49.4 -34.7 -31.4 -25.7 126 127 X D H X S+ 0 0 83 -4,-2.9 4,-2.8 1,-0.2 5,-0.2 0.882 108.6 57.8 -60.9 -41.2 -32.2 -28.5 -25.3 127 128 X F H X S+ 0 0 12 -4,-2.5 4,-1.8 -5,-0.2 5,-0.3 0.924 110.6 41.6 -56.9 -46.4 -32.9 -28.4 -21.6 128 129 X L H X>S+ 0 0 0 -4,-2.1 5,-2.5 1,-0.2 4,-2.3 0.909 115.4 50.4 -69.2 -40.9 -31.9 -32.0 -21.1 129 130 X E H <>S+ 0 0 95 -4,-2.3 5,-0.6 -5,-0.2 -2,-0.2 0.880 115.0 43.8 -62.6 -39.1 -28.9 -31.7 -23.4 130 131 X S H <5S+ 0 0 68 -4,-2.8 -1,-0.2 -5,-0.2 -2,-0.2 0.795 129.6 18.9 -79.3 -33.1 -27.6 -28.6 -21.6 131 132 X H H <5S+ 0 0 78 -4,-1.8 -2,-0.2 -5,-0.2 -3,-0.2 0.577 131.5 20.7-118.5 -11.1 -28.0 -29.7 -18.0 132 133 X F T X5S+ 0 0 9 -4,-2.3 4,-2.5 -5,-0.3 5,-0.2 0.736 102.1 63.1-128.1 -48.0 -28.4 -33.4 -17.8 133 134 X L H > S+ 0 0 100 1,-0.2 4,-2.2 2,-0.2 -2,-0.2 0.920 110.8 46.5 -57.7 -40.8 -23.4 -34.5 -16.6 136 137 X E H X S+ 0 0 3 -4,-2.5 4,-2.6 2,-0.2 5,-0.2 0.939 111.4 49.2 -68.5 -47.0 -24.8 -38.1 -16.6 137 138 X V H X S+ 0 0 82 -4,-2.2 4,-2.3 1,-0.2 -2,-0.2 0.932 112.7 49.2 -57.4 -44.9 -22.2 -39.4 -19.1 138 139 X K H X S+ 0 0 104 -4,-3.0 4,-2.2 1,-0.2 -1,-0.2 0.911 112.0 48.3 -59.8 -43.7 -19.4 -37.8 -17.1 139 140 X L H X S+ 0 0 15 -4,-2.2 4,-2.6 -5,-0.2 -1,-0.2 0.912 111.0 49.1 -66.1 -42.6 -20.6 -39.3 -13.8 140 141 X I H X S+ 0 0 35 -4,-2.6 4,-2.7 2,-0.2 -1,-0.2 0.895 109.6 52.6 -66.1 -38.5 -21.0 -42.8 -15.3 141 142 X K H X S+ 0 0 130 -4,-2.3 4,-2.6 -5,-0.2 -1,-0.2 0.931 109.7 49.4 -59.9 -44.8 -17.5 -42.6 -16.7 142 143 X K H X S+ 0 0 107 -4,-2.2 4,-2.7 1,-0.2 -2,-0.2 0.930 111.7 48.5 -58.9 -47.1 -16.2 -41.6 -13.3 143 144 X M H X S+ 0 0 0 -4,-2.6 4,-2.9 2,-0.2 -2,-0.2 0.897 110.7 50.4 -62.1 -40.5 -18.0 -44.5 -11.7 144 145 X G H X S+ 0 0 27 -4,-2.7 4,-2.3 2,-0.2 -1,-0.2 0.920 110.5 50.1 -62.1 -43.8 -16.7 -46.9 -14.3 145 146 X D H X S+ 0 0 68 -4,-2.6 4,-2.0 2,-0.2 -2,-0.2 0.922 112.3 48.1 -57.3 -47.8 -13.2 -45.7 -13.6 146 147 X H H X S+ 0 0 22 -4,-2.7 4,-3.1 1,-0.2 5,-0.2 0.930 109.1 52.3 -59.6 -48.3 -13.7 -46.2 -9.9 147 148 X L H X S+ 0 0 24 -4,-2.9 4,-2.7 1,-0.2 -1,-0.2 0.901 109.1 50.5 -54.5 -44.9 -15.1 -49.7 -10.4 148 149 X T H X S+ 0 0 68 -4,-2.3 4,-2.0 1,-0.2 -1,-0.2 0.913 113.2 45.4 -62.1 -42.6 -12.1 -50.7 -12.4 149 150 X N H X S+ 0 0 57 -4,-2.0 4,-1.3 2,-0.2 -2,-0.2 0.906 113.0 49.2 -68.3 -41.5 -9.7 -49.3 -9.7 150 151 X I H >X S+ 0 0 15 -4,-3.1 4,-0.5 1,-0.2 3,-0.5 0.941 112.0 49.7 -60.4 -46.1 -11.7 -51.0 -6.9 151 152 X Q H >X S+ 0 0 101 -4,-2.7 3,-1.0 1,-0.2 4,-0.6 0.874 107.7 53.1 -63.2 -39.3 -11.7 -54.3 -8.8 152 153 X R H 3< S+ 0 0 166 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.783 107.1 54.6 -63.5 -30.1 -7.9 -54.1 -9.4 153 154 X L H << S+ 0 0 61 -4,-1.3 8,-0.3 -3,-0.5 -1,-0.2 0.540 87.9 79.2 -85.3 -8.3 -7.3 -53.6 -5.7 154 155 X V H X< + 0 0 56 -3,-1.0 3,-1.1 -4,-0.5 7,-0.3 0.990 55.5 132.3 -64.0 -61.2 -9.2 -56.7 -4.5 155 156 X G T 3< S- 0 0 72 -4,-0.6 3,-0.2 1,-0.3 -1,-0.1 -0.174 91.9 -45.9 47.0-131.2 -6.5 -59.3 -5.2 156 157 X S T 3 S+ 0 0 110 1,-0.2 2,-0.3 -3,-0.1 -1,-0.3 0.323 137.0 64.6-108.9 1.7 -6.1 -61.5 -2.1 157 158 X Q <> + 0 0 126 -3,-1.1 4,-2.3 -4,-0.2 5,-0.2 -0.623 57.5 163.4-125.2 71.9 -6.1 -58.6 0.3 158 159 X A H > S+ 0 0 56 -2,-0.3 4,-2.4 1,-0.2 5,-0.2 0.863 74.0 51.6 -61.7 -43.4 -9.6 -57.0 -0.0 159 160 X G H > S+ 0 0 56 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.924 111.0 48.2 -58.5 -47.7 -9.5 -55.0 3.2 160 161 X L H > S+ 0 0 104 1,-0.2 4,-2.7 2,-0.2 -2,-0.2 0.924 112.5 49.1 -57.0 -48.0 -6.1 -53.4 2.3 161 162 X G H X S+ 0 0 5 -4,-2.3 4,-2.3 -8,-0.3 -2,-0.2 0.885 110.1 51.0 -61.5 -39.9 -7.4 -52.6 -1.2 162 163 X E H X S+ 0 0 56 -4,-2.4 4,-1.9 2,-0.2 -1,-0.2 0.916 112.1 47.0 -66.9 -41.8 -10.6 -51.0 0.2 163 164 X Y H X S+ 0 0 133 -4,-2.4 4,-2.4 2,-0.2 -2,-0.2 0.948 112.3 49.7 -60.5 -49.8 -8.6 -48.8 2.5 164 165 X L H X S+ 0 0 59 -4,-2.7 4,-2.9 1,-0.2 5,-0.4 0.883 109.2 50.7 -62.8 -39.4 -6.2 -47.8 -0.2 165 166 X F H X>S+ 0 0 2 -4,-2.3 4,-2.2 1,-0.2 5,-1.7 0.932 112.5 47.0 -63.1 -44.5 -8.9 -46.8 -2.6 166 167 X E H <5S+ 0 0 4 -4,-1.9 -2,-0.2 -5,-0.2 -1,-0.2 0.900 119.1 41.0 -64.3 -37.7 -10.6 -44.7 -0.0 167 168 X R H <5S+ 0 0 84 -4,-2.4 -2,-0.2 -5,-0.2 -1,-0.2 0.883 125.9 30.1 -74.8 -40.8 -7.3 -43.0 1.0 168 169 X L H <5S+ 0 0 138 -4,-2.9 -3,-0.2 -5,-0.2 -2,-0.2 0.654 129.2 28.1-104.9 -19.5 -5.7 -42.5 -2.3 169 170 X T T <5S+ 0 0 67 -4,-2.2 -3,-0.2 -5,-0.4 -4,-0.1 0.794 105.1 69.8-104.9 -49.1 -8.6 -42.0 -4.8 170 171 X L S