==== 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 3AF7 . COMPND 2 MOLECULE: FERRITIN LIGHT CHAIN; . SOURCE 2 ORGANISM_SCIENTIFIC: EQUUS CABALLUS; . AUTHOR S.ABE,T.HIKAGE,Y.WATANABE,S.KITAGAWA,T.UENO . 172 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9771.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 131 76.2 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 . 9 5.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 114 66.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 2.3 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 1 0 0 0 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 1 X S 0 0 163 0, 0.0 2,-0.3 0, 0.0 72,-0.0 0.000 360.0 360.0 360.0 70.0 -54.4 -21.8 -15.0 2 2 X S - 0 0 42 3,-0.1 72,-0.0 1,-0.0 71,-0.0 -0.962 360.0-169.6-136.9 146.8 -51.3 -20.9 -16.8 3 3 X Q S S+ 0 0 203 -2,-0.3 70,-0.0 1,-0.0 -1,-0.0 0.271 86.0 50.7-110.9 5.0 -51.1 -17.9 -19.1 4 4 X I + 0 0 104 69,-0.1 69,-0.1 2,-0.0 -1,-0.0 0.565 69.2 124.3-119.4 -15.6 -47.7 -18.9 -20.5 5 5 X R + 0 0 85 68,-0.2 2,-0.3 2,-0.0 68,-0.1 -0.295 29.5 162.3 -62.0 130.9 -47.8 -22.5 -21.6 6 6 X Q - 0 0 157 66,-0.5 3,-0.1 3,-0.0 -1,-0.0 -0.934 64.1 -9.9-154.7 122.4 -46.8 -23.0 -25.2 7 7 X N S S+ 0 0 93 -2,-0.3 2,-0.6 1,-0.2 -2,-0.0 0.802 91.7 132.1 60.3 32.3 -45.7 -26.1 -27.1 8 8 X Y - 0 0 11 64,-0.1 -1,-0.2 65,-0.0 114,-0.0 -0.895 46.8-148.1-120.9 101.2 -45.6 -28.0 -23.8 9 9 X S > - 0 0 19 -2,-0.6 4,-2.4 1,-0.1 5,-0.1 -0.240 20.4-125.6 -70.6 153.7 -47.4 -31.3 -24.0 10 10 X T H > S+ 0 0 90 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.848 112.9 59.0 -62.3 -32.0 -49.2 -33.0 -21.1 11 11 X E H > S+ 0 0 96 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.930 108.3 42.4 -62.0 -47.0 -47.0 -36.1 -21.9 12 12 X V H > S+ 0 0 0 2,-0.2 4,-2.9 1,-0.2 5,-0.2 0.928 111.9 55.5 -66.6 -44.6 -43.7 -34.1 -21.3 13 13 X E H X S+ 0 0 31 -4,-2.4 4,-1.9 1,-0.2 -2,-0.2 0.917 111.7 43.5 -51.7 -47.2 -45.2 -32.4 -18.2 14 14 X A H X S+ 0 0 35 -4,-2.4 4,-2.3 1,-0.2 -1,-0.2 0.893 112.5 52.1 -68.2 -39.5 -46.0 -35.8 -16.7 15 15 X A H X S+ 0 0 14 -4,-2.1 4,-2.4 2,-0.2 -2,-0.2 0.863 107.6 53.0 -65.1 -37.3 -42.6 -37.2 -17.7 16 16 X V H X S+ 0 0 0 -4,-2.9 4,-2.3 2,-0.2 -1,-0.2 0.925 108.1 50.4 -63.6 -44.2 -40.9 -34.3 -16.1 17 17 X N H X S+ 0 0 18 -4,-1.9 4,-1.9 -5,-0.2 -2,-0.2 0.911 111.4 48.3 -59.3 -41.9 -42.8 -34.9 -12.8 18 18 X R H X S+ 0 0 151 -4,-2.3 4,-2.3 1,-0.2 -2,-0.2 0.907 109.8 52.3 -64.7 -38.8 -41.7 -38.6 -12.9 19 19 X L H X S+ 0 0 4 -4,-2.4 4,-2.6 2,-0.2 -2,-0.2 0.882 105.7 54.3 -65.1 -38.3 -38.1 -37.5 -13.6 20 20 X V H X S+ 0 0 2 -4,-2.3 4,-2.6 2,-0.2 5,-0.2 0.934 109.0 49.4 -58.8 -43.9 -38.2 -35.2 -10.5 21 21 X N H X S+ 0 0 26 -4,-1.9 4,-2.5 1,-0.2 -2,-0.2 0.926 110.3 50.1 -61.5 -43.4 -39.3 -38.3 -8.5 22 22 X L H X S+ 0 0 48 -4,-2.3 4,-2.1 1,-0.2 -1,-0.2 0.893 111.9 48.1 -62.5 -41.0 -36.5 -40.4 -9.9 23 23 X Y H X S+ 0 0 8 -4,-2.6 4,-2.5 2,-0.2 -1,-0.2 0.902 112.6 47.5 -66.9 -41.5 -34.0 -37.7 -9.0 24 24 X L H X S+ 0 0 40 -4,-2.6 4,-2.1 2,-0.2 -2,-0.2 0.871 111.4 51.2 -66.6 -37.0 -35.3 -37.3 -5.5 25 25 X R H X S+ 0 0 90 -4,-2.5 4,-2.4 -5,-0.2 -2,-0.2 0.894 110.0 49.9 -63.7 -41.5 -35.2 -41.0 -5.1 26 26 X A H X S+ 0 0 0 -4,-2.1 4,-2.6 2,-0.2 -2,-0.2 0.920 109.2 51.8 -63.0 -43.4 -31.6 -41.1 -6.3 27 27 X S H X S+ 0 0 19 -4,-2.5 4,-2.2 1,-0.2 -2,-0.2 0.922 110.2 49.0 -58.9 -42.4 -30.8 -38.3 -3.8 28 28 X Y H X S+ 0 0 104 -4,-2.1 4,-2.1 2,-0.2 -1,-0.2 0.897 109.6 51.7 -64.6 -42.1 -32.4 -40.4 -1.0 29 29 X T H X S+ 0 0 20 -4,-2.4 4,-2.7 1,-0.2 -2,-0.2 0.924 110.3 48.8 -59.5 -43.9 -30.4 -43.5 -2.1 30 30 X Y H X S+ 0 0 0 -4,-2.6 4,-2.9 2,-0.2 -2,-0.2 0.855 106.6 56.2 -68.6 -32.2 -27.2 -41.5 -2.0 31 31 X L H X S+ 0 0 74 -4,-2.2 4,-2.3 2,-0.2 -1,-0.2 0.936 110.9 44.9 -59.7 -46.4 -28.1 -40.1 1.5 32 32 X S H X S+ 0 0 33 -4,-2.1 4,-1.9 2,-0.2 -2,-0.2 0.917 112.9 50.0 -65.5 -44.0 -28.4 -43.7 2.7 33 33 X L H X S+ 0 0 1 -4,-2.7 4,-1.7 2,-0.2 -2,-0.2 0.934 110.7 51.2 -57.9 -46.3 -25.2 -44.8 1.0 34 34 X G H X S+ 0 0 0 -4,-2.9 4,-0.6 1,-0.2 3,-0.2 0.933 111.6 44.8 -59.3 -49.4 -23.3 -41.8 2.5 35 35 X F H >< S+ 0 0 89 -4,-2.3 3,-0.5 1,-0.2 4,-0.3 0.802 106.4 60.7 -70.5 -25.6 -24.4 -42.5 6.1 36 36 X Y H >< S+ 0 0 31 -4,-1.9 3,-1.5 1,-0.2 7,-0.3 0.920 104.2 49.8 -62.8 -43.4 -23.7 -46.2 5.8 37 37 X F H 3< S+ 0 0 0 -4,-1.7 7,-2.4 1,-0.3 11,-0.3 0.618 104.6 60.1 -74.7 -8.0 -20.1 -45.4 5.1 38 38 X D T << S+ 0 0 99 -4,-0.6 -1,-0.3 -3,-0.5 -2,-0.2 0.439 77.7 118.1 -93.1 -6.3 -20.0 -43.1 8.1 39 39 X R S X> S- 0 0 79 -3,-1.5 4,-2.4 -4,-0.3 3,-2.0 -0.373 75.7-123.8 -57.6 141.9 -21.0 -46.1 10.4 40 40 X D T 34 S+ 0 0 156 1,-0.3 -1,-0.1 2,-0.2 -3,-0.0 0.780 112.9 52.6 -60.9 -24.7 -18.2 -46.7 13.0 41 41 X D T 34 S+ 0 0 102 1,-0.0 -1,-0.3 0, 0.0 -2,-0.1 0.263 120.3 31.9 -95.2 11.7 -18.0 -50.3 11.7 42 42 X V T <4 S+ 0 0 32 -3,-2.0 -2,-0.2 -6,-0.1 -5,-0.1 0.528 79.1 171.8-125.6 -62.7 -17.6 -49.2 8.1 43 43 X A < + 0 0 65 -4,-2.4 2,-0.4 -7,-0.3 -5,-0.2 0.913 16.1 144.7 58.7 56.6 -15.7 -45.9 8.5 44 44 X L >> - 0 0 16 -7,-2.4 4,-2.4 1,-0.1 3,-0.8 -0.784 21.5-179.1-124.4 85.6 -14.7 -45.0 5.0 45 45 X E H 3> S+ 0 0 90 -2,-0.4 4,-2.7 1,-0.3 5,-0.2 0.842 77.8 55.8 -59.0 -41.5 -14.9 -41.2 5.0 46 46 X G H 3> S+ 0 0 0 2,-0.2 4,-1.9 1,-0.2 126,-0.3 0.864 111.3 46.6 -60.3 -33.0 -13.9 -40.7 1.4 47 47 X V H <> S+ 0 0 0 -3,-0.8 4,-2.3 2,-0.2 5,-0.2 0.913 110.4 51.8 -75.8 -44.2 -16.7 -43.0 0.4 48 48 X C H X S+ 0 0 6 -4,-2.4 4,-2.6 -11,-0.3 -2,-0.2 0.941 112.4 47.0 -52.4 -48.5 -19.2 -41.2 2.7 49 49 X H H X S+ 0 0 85 -4,-2.7 4,-2.6 1,-0.2 5,-0.2 0.900 108.1 55.7 -64.1 -41.7 -18.2 -37.9 1.1 50 50 X F H X S+ 0 0 34 -4,-1.9 4,-1.7 -5,-0.2 -1,-0.2 0.942 113.9 39.3 -56.7 -49.3 -18.5 -39.2 -2.4 51 51 X F H X S+ 0 0 0 -4,-2.3 4,-2.2 2,-0.2 -1,-0.2 0.861 112.5 54.5 -75.4 -33.9 -22.1 -40.3 -1.9 52 52 X R H X S+ 0 0 128 -4,-2.6 4,-1.8 -5,-0.2 -1,-0.2 0.909 107.7 52.1 -63.6 -38.5 -23.1 -37.3 0.2 53 53 X E H X S+ 0 0 43 -4,-2.6 4,-2.3 1,-0.2 -2,-0.2 0.919 109.4 50.1 -60.8 -43.1 -21.9 -35.1 -2.7 54 54 X L H X S+ 0 0 4 -4,-1.7 4,-2.7 2,-0.2 5,-0.2 0.873 104.6 57.0 -64.4 -36.8 -24.0 -37.1 -5.1 55 55 X A H X S+ 0 0 9 -4,-2.2 4,-2.0 1,-0.2 -1,-0.2 0.935 109.5 46.5 -57.9 -42.5 -27.1 -36.8 -2.9 56 56 X E H X S+ 0 0 103 -4,-1.8 4,-2.5 1,-0.2 -2,-0.2 0.920 111.2 51.6 -65.7 -44.1 -26.7 -33.0 -3.2 57 57 X E H X S+ 0 0 96 -4,-2.3 4,-2.0 1,-0.2 -2,-0.2 0.905 110.5 47.8 -60.1 -43.7 -26.2 -33.2 -6.9 58 58 X K H X S+ 0 0 8 -4,-2.7 4,-2.2 2,-0.2 -1,-0.2 0.890 110.5 51.1 -67.8 -37.3 -29.3 -35.3 -7.4 59 59 X R H X S+ 0 0 90 -4,-2.0 4,-2.2 -5,-0.2 -2,-0.2 0.925 109.7 51.1 -62.6 -44.4 -31.4 -32.9 -5.3 60 60 X E H X S+ 0 0 74 -4,-2.5 4,-2.2 2,-0.2 -2,-0.2 0.882 107.7 53.2 -58.2 -39.1 -30.1 -30.0 -7.3 61 61 X G H X S+ 0 0 8 -4,-2.0 4,-2.1 2,-0.2 -1,-0.2 0.922 108.3 49.5 -63.6 -45.5 -31.1 -31.8 -10.5 62 62 X A H X S+ 0 0 0 -4,-2.2 4,-2.4 1,-0.2 -1,-0.2 0.909 110.2 51.5 -58.9 -42.3 -34.7 -32.3 -9.2 63 63 X E H X S+ 0 0 96 -4,-2.2 4,-2.3 1,-0.2 -2,-0.2 0.888 108.3 51.3 -64.9 -37.0 -34.8 -28.6 -8.3 64 64 X R H X S+ 0 0 122 -4,-2.2 4,-2.0 1,-0.2 -1,-0.2 0.879 110.0 49.3 -66.9 -40.6 -33.7 -27.6 -11.8 65 65 X L H X S+ 0 0 0 -4,-2.1 4,-2.6 2,-0.2 -2,-0.2 0.886 110.8 50.3 -63.0 -41.4 -36.4 -29.8 -13.3 66 66 X L H X S+ 0 0 35 -4,-2.4 4,-2.0 2,-0.2 -2,-0.2 0.890 109.3 51.0 -65.4 -39.6 -39.0 -28.2 -11.0 67 67 X K H X S+ 0 0 138 -4,-2.3 4,-2.3 2,-0.2 -2,-0.2 0.934 112.2 47.2 -61.5 -43.7 -37.8 -24.7 -12.0 68 68 X M H X S+ 0 0 0 -4,-2.0 4,-2.1 2,-0.2 6,-0.3 0.892 106.2 58.3 -64.8 -40.9 -38.2 -25.7 -15.7 69 69 X Q H X>S+ 0 0 0 -4,-2.6 5,-2.3 1,-0.2 4,-0.6 0.945 112.1 41.0 -53.8 -50.1 -41.6 -27.2 -15.1 70 70 X N H ><5S+ 0 0 91 -4,-2.0 3,-0.8 1,-0.2 -1,-0.2 0.876 109.4 58.8 -68.1 -36.5 -42.8 -23.9 -13.8 71 71 X Q H 3<5S+ 0 0 108 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.852 110.6 44.0 -58.5 -34.2 -41.0 -21.9 -16.5 72 72 X R H 3<5S- 0 0 27 -4,-2.1 -66,-0.5 -3,-0.2 -1,-0.2 0.541 119.5-109.4 -89.9 -8.3 -43.0 -23.9 -19.1 73 73 X G T <<5S+ 0 0 2 -3,-0.8 -3,-0.2 -4,-0.6 -68,-0.2 0.581 73.0 136.3 88.0 10.7 -46.3 -23.5 -17.3 74 74 X G < - 0 0 0 -5,-2.3 2,-0.5 -6,-0.3 -1,-0.3 -0.340 53.9-116.6 -77.1 170.9 -46.5 -27.2 -16.2 75 75 X R - 0 0 110 -2,-0.1 2,-0.1 -3,-0.1 -58,-0.1 -0.952 18.8-126.8-121.6 119.7 -47.6 -28.1 -12.8 76 76 X A - 0 0 35 -2,-0.5 2,-0.4 -10,-0.1 -62,-0.1 -0.390 26.5-175.0 -60.6 132.7 -45.3 -29.9 -10.3 77 77 X L - 0 0 114 -2,-0.1 2,-0.3 -63,-0.1 -2,-0.0 -0.992 9.0-154.4-132.4 126.3 -46.9 -33.1 -8.9 78 78 X F - 0 0 123 -2,-0.4 2,-0.2 -58,-0.1 -60,-0.1 -0.787 8.8-170.3-104.4 143.5 -45.1 -35.0 -6.2 79 79 X Q - 0 0 140 -2,-0.3 -2,-0.0 -62,-0.2 0, 0.0 -0.750 41.3 -69.2-117.6 171.5 -45.4 -38.6 -5.3 80 80 X D - 0 0 125 -2,-0.2 2,-0.7 1,-0.1 -1,-0.1 -0.245 45.0-127.5 -54.0 148.0 -44.1 -40.7 -2.5 81 81 X L - 0 0 68 -57,-0.1 -1,-0.1 -3,-0.1 2,-0.1 -0.908 24.4-134.5 -98.6 112.9 -40.3 -41.2 -2.4 82 82 X Q - 0 0 107 -2,-0.7 3,-0.1 1,-0.1 -54,-0.1 -0.401 25.8-106.6 -64.5 137.6 -39.7 -44.9 -2.1 83 83 X K - 0 0 145 1,-0.1 -1,-0.1 -2,-0.1 -54,-0.1 -0.237 49.7 -81.6 -57.8 153.3 -37.0 -45.8 0.4 84 84 X P - 0 0 15 0, 0.0 -1,-0.1 0, 0.0 -58,-0.1 -0.184 40.7-111.4 -59.2 158.2 -33.7 -46.9 -1.0 85 85 X S S S+ 0 0 104 -3,-0.1 2,-0.3 2,-0.1 -2,-0.1 0.627 96.2 34.7 -71.3 -18.4 -33.4 -50.5 -2.1 86 86 X Q - 0 0 81 1,-0.1 3,-0.1 -57,-0.1 -54,-0.0 -0.948 54.0-157.0-133.0 156.1 -31.0 -51.6 0.7 87 87 X D S S+ 0 0 129 -2,-0.3 2,-0.4 1,-0.3 -1,-0.1 0.673 93.6 33.7 -97.2 -28.8 -30.5 -50.7 4.3 88 88 X E - 0 0 119 1,-0.0 -1,-0.3 -52,-0.0 -55,-0.1 -0.984 69.9-158.3-129.0 141.0 -26.8 -51.8 4.3 89 89 X W - 0 0 4 -2,-0.4 9,-0.2 1,-0.3 2,-0.2 0.326 21.7-144.4-112.1 6.0 -24.7 -51.4 1.2 90 90 X G - 0 0 28 4,-0.1 -1,-0.3 5,-0.1 2,-0.1 -0.414 55.7 -4.8 73.9-140.0 -21.8 -53.9 1.6 91 91 X T S > S- 0 0 59 -2,-0.2 4,-2.6 1,-0.1 5,-0.2 -0.335 74.5-101.2 -84.6 169.9 -18.4 -53.1 0.3 92 92 X T H > S+ 0 0 2 2,-0.2 4,-2.9 1,-0.2 5,-0.2 0.909 127.1 52.9 -54.8 -39.3 -17.2 -50.0 -1.6 93 93 X L H > S+ 0 0 28 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.944 107.6 48.5 -63.0 -48.9 -17.4 -52.2 -4.6 94 94 X D H > S+ 0 0 74 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.910 114.6 47.9 -53.9 -44.3 -21.0 -53.3 -4.0 95 95 X A H X S+ 0 0 0 -4,-2.6 4,-2.5 2,-0.2 -2,-0.2 0.912 110.3 49.1 -67.9 -43.4 -21.9 -49.6 -3.4 96 96 X M H X S+ 0 0 0 -4,-2.9 4,-2.1 2,-0.2 -1,-0.2 0.881 111.0 51.5 -65.5 -36.6 -20.2 -48.3 -6.5 97 97 X K H X S+ 0 0 95 -4,-2.4 4,-2.0 2,-0.2 -2,-0.2 0.931 110.9 47.9 -62.4 -45.1 -21.9 -51.1 -8.6 98 98 X A H X S+ 0 0 26 -4,-2.3 4,-2.4 1,-0.2 -2,-0.2 0.896 110.2 53.3 -62.5 -38.4 -25.3 -50.1 -7.1 99 99 X A H X S+ 0 0 0 -4,-2.5 4,-2.7 1,-0.2 -1,-0.2 0.899 108.4 48.4 -65.0 -42.2 -24.5 -46.4 -7.9 100 100 X I H X S+ 0 0 13 -4,-2.1 4,-2.4 2,-0.2 -1,-0.2 0.862 110.1 51.9 -68.1 -36.7 -23.8 -47.1 -11.5 101 101 X V H X S+ 0 0 101 -4,-2.0 4,-1.8 2,-0.2 -2,-0.2 0.922 111.5 48.2 -59.8 -46.4 -27.0 -49.1 -11.8 102 102 X L H X S+ 0 0 33 -4,-2.4 4,-2.1 1,-0.2 -2,-0.2 0.935 112.4 47.6 -60.0 -46.7 -28.8 -46.2 -10.4 103 103 X E H X S+ 0 0 0 -4,-2.7 4,-3.0 1,-0.2 -2,-0.2 0.890 108.3 54.4 -66.7 -38.1 -27.1 -43.7 -12.7 104 104 X K H X S+ 0 0 127 -4,-2.4 4,-2.5 1,-0.2 -1,-0.2 0.892 108.5 50.5 -61.0 -37.4 -27.8 -45.9 -15.8 105 105 X S H X S+ 0 0 64 -4,-1.8 4,-2.0 2,-0.2 -2,-0.2 0.891 111.4 46.9 -69.1 -37.7 -31.5 -45.9 -14.8 106 106 X L H X S+ 0 0 2 -4,-2.1 4,-2.3 2,-0.2 -2,-0.2 0.929 112.4 50.7 -65.6 -43.4 -31.5 -42.1 -14.5 107 107 X N H X S+ 0 0 30 -4,-3.0 4,-2.6 1,-0.2 -2,-0.2 0.912 108.6 51.4 -62.0 -42.2 -29.7 -41.7 -17.8 108 108 X Q H X S+ 0 0 97 -4,-2.5 4,-2.8 1,-0.2 -1,-0.2 0.902 108.8 51.5 -62.6 -39.0 -32.2 -44.0 -19.5 109 109 X A H X S+ 0 0 20 -4,-2.0 4,-2.1 2,-0.2 -1,-0.2 0.895 110.0 49.1 -64.4 -38.7 -35.0 -41.9 -18.1 110 110 X L H X S+ 0 0 0 -4,-2.3 4,-2.6 2,-0.2 -2,-0.2 0.914 111.8 49.0 -62.3 -44.8 -33.3 -38.7 -19.5 111 111 X L H X S+ 0 0 80 -4,-2.6 4,-2.4 2,-0.2 -2,-0.2 0.920 110.8 50.4 -61.2 -44.6 -32.9 -40.4 -22.9 112 112 X D H X S+ 0 0 95 -4,-2.8 4,-1.9 1,-0.2 -1,-0.2 0.889 111.5 48.8 -59.7 -41.3 -36.6 -41.5 -22.8 113 113 X L H X S+ 0 0 6 -4,-2.1 4,-2.8 2,-0.2 -2,-0.2 0.905 109.6 50.8 -67.3 -42.3 -37.6 -37.9 -22.0 114 114 X H H X S+ 0 0 54 -4,-2.6 4,-2.5 1,-0.2 -2,-0.2 0.918 109.8 51.6 -60.7 -41.3 -35.4 -36.4 -24.8 115 115 X A H X S+ 0 0 58 -4,-2.4 4,-2.5 2,-0.2 -1,-0.2 0.897 110.0 48.6 -62.7 -40.4 -37.0 -38.9 -27.2 116 116 X L H X S+ 0 0 48 -4,-1.9 4,-2.4 2,-0.2 -2,-0.2 0.919 110.1 51.9 -64.1 -44.9 -40.5 -37.8 -26.1 117 117 X G H <>S+ 0 0 0 -4,-2.8 5,-2.8 1,-0.2 -2,-0.2 0.902 111.0 47.7 -56.4 -43.2 -39.5 -34.2 -26.5 118 118 X S H ><5S+ 0 0 72 -4,-2.5 3,-1.1 3,-0.2 -2,-0.2 0.906 112.0 49.3 -65.3 -42.7 -38.3 -34.9 -30.1 119 119 X A H 3<5S+ 0 0 82 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.844 114.1 46.0 -63.2 -34.7 -41.6 -36.8 -30.8 120 120 X Q T 3<5S- 0 0 68 -4,-2.4 -1,-0.2 -5,-0.1 -2,-0.2 0.379 112.7-120.7 -88.5 2.6 -43.6 -33.8 -29.4 121 121 X A T < 5 + 0 0 67 -3,-1.1 -3,-0.2 -4,-0.2 -2,-0.1 0.955 59.8 151.8 52.0 56.2 -41.4 -31.3 -31.4 122 122 X D >< + 0 0 3 -5,-2.8 4,-1.7 1,-0.1 3,-0.3 -0.793 16.7 171.8-117.3 83.0 -40.4 -29.6 -28.2 123 123 X P H > S+ 0 0 90 0, 0.0 4,-2.9 0, 0.0 5,-0.2 0.791 74.2 61.4 -68.6 -26.5 -36.9 -28.1 -28.8 124 124 X H H > S+ 0 0 87 2,-0.2 4,-2.5 1,-0.2 5,-0.1 0.910 105.5 48.0 -64.9 -36.9 -36.8 -26.1 -25.5 125 125 X L H > S+ 0 0 0 -3,-0.3 4,-2.3 2,-0.2 5,-0.2 0.959 111.4 50.2 -65.5 -47.1 -37.0 -29.4 -23.6 126 126 X C H X S+ 0 0 48 -4,-1.7 4,-1.1 1,-0.2 -2,-0.2 0.929 112.5 47.2 -50.8 -51.4 -34.3 -30.8 -25.8 127 127 X D H < S+ 0 0 60 -4,-2.9 3,-0.3 1,-0.2 -1,-0.2 0.897 110.7 53.0 -59.5 -42.7 -32.1 -27.8 -25.2 128 128 X F H < S+ 0 0 18 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.882 106.9 49.8 -64.3 -41.8 -32.7 -27.9 -21.5 129 129 X L H < 0 0 0 -4,-2.3 5,-3.1 -5,-0.1 4,-1.5 0.762 360.0 360.0 -70.0 -22.4 -31.7 -31.6 -21.1 130 130 X E < 0 0 63 -4,-1.1 -3,-0.0 -3,-0.3 -1,-0.0 -0.166 360.0 360.0 -50.0 360.0 -28.4 -31.0 -23.0 131 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 132 132 X H 0 0 96 0, 0.0 -2,-0.2 0, 0.0 -3,-0.1 0.000 360.0 360.0 360.0 -66.5 -27.1 -29.8 -17.9 133 133 X F > + 0 0 6 -4,-1.5 4,-2.3 -5,-0.1 5,-0.2 0.577 360.0 50.0-125.0 -50.5 -28.4 -33.3 -17.5 134 134 X L H > S+ 0 0 39 -5,-3.1 4,-1.7 2,-0.2 -4,-0.1 0.923 117.5 36.0 -63.9 -51.9 -27.1 -35.3 -20.5 135 135 X D H > S+ 0 0 100 -6,-0.2 4,-2.7 2,-0.2 5,-0.2 0.893 116.2 55.3 -69.8 -37.6 -23.4 -34.4 -20.4 136 136 X E H > S+ 0 0 51 1,-0.2 4,-2.5 2,-0.2 -2,-0.2 0.914 108.9 48.8 -58.7 -42.0 -23.3 -34.3 -16.6 137 137 X E H X S+ 0 0 4 -4,-2.3 4,-2.7 2,-0.2 5,-0.2 0.931 110.1 49.5 -65.0 -45.7 -24.7 -37.9 -16.5 138 138 X V H X S+ 0 0 84 -4,-1.7 4,-2.2 1,-0.2 -2,-0.2 0.930 112.8 48.8 -59.2 -42.7 -22.2 -39.2 -19.1 139 139 X K H X S+ 0 0 139 -4,-2.7 4,-2.2 2,-0.2 -2,-0.2 0.919 112.3 48.1 -62.7 -43.1 -19.3 -37.6 -17.1 140 140 X L H X S+ 0 0 21 -4,-2.5 4,-2.6 1,-0.2 -2,-0.2 0.922 111.1 49.3 -65.5 -44.6 -20.6 -39.0 -13.8 141 141 X I H X S+ 0 0 34 -4,-2.7 4,-2.5 1,-0.2 -1,-0.2 0.883 109.9 52.3 -64.3 -37.8 -21.0 -42.5 -15.2 142 142 X K H X S+ 0 0 128 -4,-2.2 4,-2.6 -5,-0.2 -1,-0.2 0.931 109.9 49.0 -61.5 -45.4 -17.5 -42.4 -16.7 143 143 X K H X S+ 0 0 98 -4,-2.2 4,-2.4 1,-0.2 -2,-0.2 0.917 111.6 48.9 -57.3 -48.7 -16.1 -41.4 -13.3 144 144 X M H X S+ 0 0 0 -4,-2.6 4,-2.9 2,-0.2 -1,-0.2 0.894 110.6 50.4 -61.1 -39.9 -18.0 -44.3 -11.7 145 145 X G H X S+ 0 0 27 -4,-2.5 4,-2.2 2,-0.2 -2,-0.2 0.921 110.0 50.9 -64.3 -42.6 -16.7 -46.7 -14.2 146 146 X D H X S+ 0 0 61 -4,-2.6 4,-2.0 1,-0.2 -2,-0.2 0.925 112.2 47.8 -57.4 -47.3 -13.2 -45.4 -13.6 147 147 X H H X S+ 0 0 19 -4,-2.4 4,-3.0 1,-0.2 5,-0.2 0.930 109.1 51.8 -59.8 -49.2 -13.7 -46.0 -9.9 148 148 X L H X S+ 0 0 21 -4,-2.9 4,-2.6 1,-0.2 -1,-0.2 0.865 108.4 51.9 -54.8 -43.9 -15.1 -49.4 -10.3 149 149 X T H X S+ 0 0 67 -4,-2.2 4,-2.1 2,-0.2 -1,-0.2 0.917 112.9 44.9 -61.5 -42.2 -12.1 -50.4 -12.4 150 150 X N H X S+ 0 0 55 -4,-2.0 4,-1.2 2,-0.2 -2,-0.2 0.906 112.9 49.9 -68.2 -41.1 -9.7 -49.2 -9.7 151 151 X I H >X S+ 0 0 14 -4,-3.0 4,-0.6 1,-0.2 3,-0.6 0.943 112.0 49.3 -59.3 -46.4 -11.7 -50.8 -6.9 152 152 X Q H >X S+ 0 0 99 -4,-2.6 3,-1.0 1,-0.2 4,-0.6 0.888 107.7 53.5 -63.1 -39.3 -11.7 -54.1 -8.8 153 153 X R H 3< S+ 0 0 168 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.784 107.7 54.3 -63.8 -26.3 -7.9 -53.9 -9.4 154 154 X L H << S+ 0 0 61 -4,-1.2 8,-0.3 -3,-0.6 4,-0.3 0.552 87.0 78.7 -91.0 -8.7 -7.4 -53.5 -5.7 155 155 X V H X< + 0 0 57 -3,-1.0 3,-2.1 -4,-0.6 7,-0.3 0.996 53.5 135.8 -63.8 -61.7 -9.3 -56.5 -4.5 156 156 X G T 3< S- 0 0 65 -4,-0.6 3,-0.1 1,-0.3 -1,-0.1 -0.257 91.2 -56.1 54.2-140.4 -6.6 -59.0 -5.2 157 157 X S T 3 S+ 0 0 113 1,-0.1 -1,-0.3 -3,-0.1 -2,-0.1 -0.096 133.4 73.9-122.4 40.0 -6.6 -61.1 -2.1 158 158 X Q <> + 0 0 136 -3,-2.1 4,-2.2 -4,-0.3 5,-0.2 -0.626 57.8 161.1-132.0 72.4 -6.1 -58.3 0.2 159 159 X A H > S+ 0 0 56 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.890 71.1 49.7 -65.6 -44.4 -9.6 -56.8 0.0 160 160 X G H > S+ 0 0 55 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.921 111.9 49.6 -58.2 -47.1 -9.4 -54.8 3.2 161 161 X L H > S+ 0 0 93 1,-0.2 4,-2.6 2,-0.2 -2,-0.2 0.931 112.4 47.4 -57.6 -47.2 -6.1 -53.3 2.2 162 162 X G H X S+ 0 0 5 -4,-2.2 4,-2.5 -8,-0.3 5,-0.2 0.886 110.5 51.7 -64.7 -38.0 -7.4 -52.4 -1.2 163 163 X E H X S+ 0 0 54 -4,-2.5 4,-1.9 2,-0.2 -1,-0.2 0.922 111.8 46.7 -66.4 -44.1 -10.6 -50.9 0.1 164 164 X Y H X S+ 0 0 132 -4,-2.4 4,-2.5 2,-0.2 -2,-0.2 0.944 113.0 49.2 -57.5 -49.8 -8.6 -48.7 2.6 165 165 X L H X S+ 0 0 60 -4,-2.6 4,-2.9 1,-0.2 5,-0.4 0.884 109.4 51.3 -64.4 -38.8 -6.1 -47.6 -0.1 166 166 X F H X>S+ 0 0 3 -4,-2.5 4,-2.2 2,-0.2 5,-1.7 0.936 112.6 46.0 -62.3 -45.6 -8.8 -46.7 -2.6 167 167 X E H <5S+ 0 0 4 -4,-1.9 -2,-0.2 -5,-0.2 -1,-0.2 0.906 119.0 42.3 -63.4 -38.7 -10.6 -44.5 -0.0 168 168 X R H <5S+ 0 0 76 -4,-2.5 -2,-0.2 -5,-0.2 -1,-0.2 0.877 125.5 29.6 -73.6 -40.3 -7.3 -42.9 1.1 169 169 X L H <5S+ 0 0 137 -4,-2.9 -3,-0.2 -5,-0.2 -2,-0.2 0.642 129.3 28.1-106.0 -18.4 -5.7 -42.3 -2.3 170 170 X T T <5S+ 0 0 68 -4,-2.2 -3,-0.2 -5,-0.4 -4,-0.1 0.764 105.8 69.4-105.8 -45.5 -8.5 -41.8 -4.8 171 171 X L S