==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=6-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER METAL BINDING PROTEIN 18-JAN-08 2ZG9 . COMPND 2 MOLECULE: FERRITIN LIGHT CHAIN; . SOURCE 2 ORGANISM_SCIENTIFIC: EQUUS CABALLUS; . AUTHOR S.ABE,J.NIEMEYER,M.ABE,T.UENO,T.HIKAGE,G.ERKER,Y.WATANABE . 173 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9815.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 133 76.9 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 . 8 4.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 116 67.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 3.5 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 0 0 1 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 0 149 0, 0.0 2,-0.3 0, 0.0 72,-0.0 0.000 360.0 360.0 360.0 162.0 -54.2 -21.9 -14.5 2 2 X S - 0 0 47 3,-0.1 72,-0.0 1,-0.1 71,-0.0 -0.988 360.0-174.3-143.0 139.6 -51.4 -20.7 -16.8 3 3 X Q S S+ 0 0 205 -2,-0.3 -1,-0.1 1,-0.1 70,-0.0 0.286 89.8 48.3-104.9 5.2 -51.2 -17.6 -19.1 4 4 X I + 0 0 106 69,-0.1 -1,-0.1 2,-0.0 69,-0.1 0.575 69.7 124.7-122.9 -17.2 -47.8 -18.7 -20.6 5 5 X R + 0 0 88 68,-0.2 2,-0.3 2,-0.0 68,-0.1 -0.281 30.7 163.6 -60.3 128.5 -48.0 -22.4 -21.5 6 6 X Q - 0 0 156 66,-0.5 3,-0.1 3,-0.0 -1,-0.0 -0.942 63.3 -10.2-151.0 122.0 -47.0 -22.8 -25.2 7 7 X N S S+ 0 0 95 -2,-0.3 2,-0.6 1,-0.2 -2,-0.0 0.812 91.2 133.6 61.6 32.3 -46.0 -26.0 -27.1 8 8 X Y - 0 0 12 64,-0.1 -1,-0.2 65,-0.0 114,-0.0 -0.891 45.5-148.5-120.2 100.8 -45.8 -27.9 -23.8 9 9 X S > - 0 0 19 -2,-0.6 4,-2.5 1,-0.1 5,-0.1 -0.233 21.0-125.0 -71.7 155.0 -47.5 -31.3 -24.0 10 10 X T H > S+ 0 0 94 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.846 113.2 58.1 -61.7 -32.4 -49.3 -33.1 -21.1 11 11 X E H > S+ 0 0 97 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.920 108.7 42.7 -64.0 -45.7 -47.0 -36.1 -21.9 12 12 X V H > S+ 0 0 0 2,-0.2 4,-2.8 1,-0.2 5,-0.2 0.942 112.1 54.3 -66.1 -46.2 -43.8 -34.0 -21.4 13 13 X E H X S+ 0 0 29 -4,-2.5 4,-2.1 1,-0.2 -2,-0.2 0.916 112.2 44.7 -52.7 -47.0 -45.3 -32.4 -18.3 14 14 X A H X S+ 0 0 58 -4,-2.4 4,-2.4 2,-0.2 -1,-0.2 0.893 112.1 51.5 -64.0 -41.6 -46.0 -35.9 -16.8 15 15 X A H X S+ 0 0 22 -4,-2.2 4,-2.4 2,-0.2 -2,-0.2 0.862 108.4 52.4 -63.6 -39.3 -42.6 -37.2 -17.8 16 16 X V H X S+ 0 0 0 -4,-2.8 4,-2.3 2,-0.2 -1,-0.2 0.945 108.7 49.6 -64.2 -45.8 -40.9 -34.2 -16.1 17 17 X N H X S+ 0 0 20 -4,-2.1 4,-2.0 -5,-0.2 -2,-0.2 0.920 111.5 49.7 -58.0 -43.0 -42.9 -34.9 -12.9 18 18 X R H X S+ 0 0 134 -4,-2.4 4,-2.3 1,-0.2 -1,-0.2 0.910 109.5 51.3 -60.6 -42.3 -41.8 -38.6 -13.0 19 19 X L H X S+ 0 0 4 -4,-2.4 4,-2.7 2,-0.2 5,-0.2 0.875 105.3 55.6 -66.3 -36.5 -38.2 -37.5 -13.5 20 20 X V H X S+ 0 0 2 -4,-2.3 4,-2.5 2,-0.2 -1,-0.2 0.936 108.9 48.4 -56.5 -47.8 -38.3 -35.2 -10.5 21 21 X N H X S+ 0 0 37 -4,-2.0 4,-2.4 1,-0.2 -2,-0.2 0.910 111.3 50.3 -59.9 -43.0 -39.4 -38.2 -8.5 22 22 X L H X S+ 0 0 49 -4,-2.3 4,-2.2 2,-0.2 -2,-0.2 0.894 111.6 47.1 -63.0 -42.0 -36.6 -40.3 -9.9 23 23 X Y H X S+ 0 0 7 -4,-2.7 4,-2.7 2,-0.2 -1,-0.2 0.909 113.4 48.1 -66.5 -41.2 -34.0 -37.6 -9.1 24 24 X L H X S+ 0 0 41 -4,-2.5 4,-2.4 2,-0.2 -2,-0.2 0.895 111.4 50.6 -67.3 -37.5 -35.3 -37.2 -5.5 25 25 X R H X S+ 0 0 75 -4,-2.4 4,-2.4 2,-0.2 -1,-0.2 0.894 110.9 49.4 -64.3 -40.3 -35.3 -41.0 -5.1 26 26 X A H X S+ 0 0 0 -4,-2.2 4,-2.6 2,-0.2 -2,-0.2 0.928 109.2 51.9 -64.5 -44.1 -31.7 -41.1 -6.3 27 27 X S H X S+ 0 0 17 -4,-2.7 4,-2.0 1,-0.2 -2,-0.2 0.924 110.6 48.8 -55.7 -45.8 -30.8 -38.3 -3.9 28 28 X Y H X S+ 0 0 107 -4,-2.4 4,-2.0 2,-0.2 -1,-0.2 0.899 109.2 52.2 -61.0 -43.8 -32.4 -40.3 -1.0 29 29 X T H X S+ 0 0 9 -4,-2.4 4,-2.6 1,-0.2 -2,-0.2 0.923 109.8 49.5 -58.6 -42.8 -30.5 -43.4 -2.1 30 30 X Y H X S+ 0 0 0 -4,-2.6 4,-2.7 1,-0.2 -2,-0.2 0.839 105.8 56.5 -69.0 -33.1 -27.2 -41.5 -2.0 31 31 X L H X S+ 0 0 71 -4,-2.0 4,-2.3 2,-0.2 -1,-0.2 0.932 110.5 45.0 -58.7 -46.5 -28.0 -40.1 1.5 32 32 X S H X S+ 0 0 34 -4,-2.0 4,-2.1 2,-0.2 -2,-0.2 0.914 112.7 50.8 -65.7 -45.1 -28.4 -43.7 2.7 33 33 X L H X S+ 0 0 1 -4,-2.6 4,-1.7 2,-0.2 -2,-0.2 0.945 110.3 50.4 -55.1 -49.1 -25.1 -44.8 0.9 34 34 X G H X S+ 0 0 1 -4,-2.7 4,-0.7 1,-0.2 3,-0.3 0.934 112.1 45.2 -59.2 -50.1 -23.2 -41.9 2.5 35 35 X F H >< S+ 0 0 93 -4,-2.3 3,-0.5 1,-0.2 4,-0.3 0.821 105.3 61.6 -69.1 -28.1 -24.3 -42.5 6.0 36 36 X Y H >< S+ 0 0 25 -4,-2.1 3,-1.5 1,-0.2 7,-0.3 0.928 104.1 49.6 -58.7 -44.3 -23.7 -46.3 5.7 37 37 X F H 3< S+ 0 0 1 -4,-1.7 7,-2.5 1,-0.3 11,-0.3 0.647 104.5 59.8 -73.2 -12.4 -20.0 -45.5 5.0 38 38 X D T << S+ 0 0 69 -4,-0.7 -1,-0.3 -3,-0.5 -2,-0.2 0.391 77.6 118.9 -90.1 -2.5 -19.9 -43.2 8.1 39 39 X R S X> S- 0 0 106 -3,-1.5 4,-2.5 -4,-0.3 3,-2.1 -0.407 75.8-123.2 -59.3 142.1 -20.9 -46.2 10.4 40 40 X D T 34 S+ 0 0 155 1,-0.3 -1,-0.1 2,-0.2 -3,-0.0 0.775 113.4 52.6 -63.6 -23.7 -18.2 -46.8 13.0 41 41 X D T 34 S+ 0 0 101 1,-0.0 -1,-0.3 0, 0.0 -2,-0.1 0.270 120.4 32.7 -92.6 9.3 -17.9 -50.4 11.7 42 42 X V T <4 S+ 0 0 32 -3,-2.1 -2,-0.2 -5,-0.1 -5,-0.1 0.567 77.9 171.2-121.4 -61.2 -17.4 -49.2 8.1 43 43 X A < + 0 0 59 -4,-2.5 2,-0.4 -7,-0.3 -5,-0.2 0.894 18.8 141.3 55.2 54.4 -15.6 -45.9 8.6 44 44 X L >> + 0 0 19 -7,-2.5 4,-1.8 1,-0.1 3,-1.1 -0.753 22.6 178.4-121.7 84.4 -14.6 -44.9 5.1 45 45 X E H 3> S+ 0 0 56 -2,-0.4 4,-2.8 1,-0.3 5,-0.2 0.821 73.9 61.1 -67.3 -32.8 -15.1 -41.2 5.1 46 46 X G H 3> S+ 0 0 1 1,-0.2 4,-1.9 2,-0.2 -1,-0.3 0.862 108.7 47.3 -56.8 -34.9 -14.0 -40.4 1.5 47 47 X V H <> S+ 0 0 0 -3,-1.1 4,-2.4 2,-0.2 5,-0.3 0.894 108.0 55.0 -75.0 -41.8 -16.9 -42.7 0.4 48 48 X C H X S+ 0 0 13 -4,-1.8 4,-2.4 -11,-0.3 -2,-0.2 0.953 112.9 42.8 -48.0 -50.6 -19.3 -40.9 2.8 49 49 X H H X S+ 0 0 76 -4,-2.8 4,-2.3 1,-0.2 -2,-0.2 0.872 109.7 56.4 -71.9 -37.0 -18.4 -37.6 1.2 50 50 X F H X S+ 0 0 23 -4,-1.9 4,-1.8 -5,-0.2 -1,-0.2 0.955 113.8 39.7 -57.9 -51.2 -18.5 -39.0 -2.3 51 51 X F H X S+ 0 0 0 -4,-2.4 4,-2.4 1,-0.2 -2,-0.2 0.866 112.6 55.0 -71.2 -34.7 -22.1 -40.2 -1.9 52 52 X R H X S+ 0 0 99 -4,-2.4 4,-1.8 -5,-0.3 -1,-0.2 0.909 107.3 50.7 -63.6 -38.0 -23.2 -37.2 0.1 53 53 X E H X S+ 0 0 76 -4,-2.3 4,-2.3 1,-0.2 -2,-0.2 0.925 108.8 51.7 -68.4 -36.2 -22.1 -34.9 -2.7 54 54 X L H X S+ 0 0 0 -4,-1.8 4,-2.6 2,-0.2 5,-0.2 0.898 105.0 56.4 -61.5 -40.5 -24.0 -37.1 -5.2 55 55 X A H X S+ 0 0 3 -4,-2.4 4,-2.1 1,-0.2 -1,-0.2 0.911 108.7 47.7 -56.0 -42.1 -27.1 -36.7 -3.0 56 56 X E H X S+ 0 0 55 -4,-1.8 4,-2.5 2,-0.2 -2,-0.2 0.920 110.4 51.4 -64.6 -46.1 -26.7 -32.9 -3.3 57 57 X E H X S+ 0 0 68 -4,-2.3 4,-2.2 1,-0.2 -2,-0.2 0.904 110.6 48.0 -58.8 -43.9 -26.2 -33.1 -7.1 58 58 X K H X S+ 0 0 9 -4,-2.6 4,-2.4 2,-0.2 -1,-0.2 0.892 110.6 50.6 -67.9 -39.8 -29.4 -35.2 -7.6 59 59 X R H X S+ 0 0 83 -4,-2.1 4,-2.3 -5,-0.2 -1,-0.2 0.923 110.2 51.2 -61.0 -41.8 -31.5 -32.9 -5.4 60 60 X E H X S+ 0 0 98 -4,-2.5 4,-2.4 2,-0.2 -2,-0.2 0.899 107.9 52.8 -61.3 -40.2 -30.1 -30.0 -7.5 61 61 X G H X S+ 0 0 8 -4,-2.2 4,-2.3 2,-0.2 -2,-0.2 0.936 108.9 49.4 -57.8 -49.2 -31.2 -31.9 -10.7 62 62 X A H X S+ 0 0 0 -4,-2.4 4,-2.2 1,-0.2 -2,-0.2 0.903 110.6 50.2 -59.0 -42.8 -34.7 -32.3 -9.3 63 63 X E H X S+ 0 0 101 -4,-2.3 4,-2.6 2,-0.2 -1,-0.2 0.890 108.3 52.5 -65.9 -37.9 -34.9 -28.5 -8.4 64 64 X R H X S+ 0 0 121 -4,-2.4 4,-2.4 1,-0.2 -1,-0.2 0.916 110.1 49.0 -61.6 -43.7 -33.7 -27.6 -12.0 65 65 X L H X S+ 0 0 0 -4,-2.3 4,-2.5 2,-0.2 -2,-0.2 0.902 111.4 48.7 -61.4 -42.2 -36.5 -29.8 -13.4 66 66 X L H X S+ 0 0 35 -4,-2.2 4,-2.2 2,-0.2 -2,-0.2 0.905 110.1 51.2 -68.0 -40.4 -39.1 -28.2 -11.1 67 67 X K H X S+ 0 0 141 -4,-2.6 4,-2.4 1,-0.2 -2,-0.2 0.944 112.5 47.0 -59.5 -45.5 -38.0 -24.7 -12.1 68 68 X M H X S+ 0 0 0 -4,-2.4 4,-2.1 2,-0.2 6,-0.2 0.889 106.5 57.9 -63.6 -41.9 -38.3 -25.6 -15.8 69 69 X Q H X>S+ 0 0 0 -4,-2.5 5,-2.4 1,-0.2 4,-0.6 0.946 112.0 41.5 -51.8 -52.8 -41.8 -27.2 -15.2 70 70 X N H ><5S+ 0 0 93 -4,-2.2 3,-0.8 1,-0.2 -1,-0.2 0.873 109.3 58.2 -64.1 -38.5 -42.9 -23.8 -13.8 71 71 X Q H 3<5S+ 0 0 111 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.862 109.9 45.3 -58.8 -34.2 -41.1 -21.8 -16.6 72 72 X R H 3<5S- 0 0 29 -4,-2.1 -66,-0.5 -3,-0.2 -1,-0.2 0.568 119.7-108.7 -86.6 -9.9 -43.1 -23.8 -19.2 73 73 X G T <<5S+ 0 0 2 -3,-0.8 -3,-0.2 -4,-0.6 -68,-0.2 0.589 74.1 135.8 89.6 10.9 -46.4 -23.4 -17.4 74 74 X G < - 0 0 0 -5,-2.4 2,-0.5 -6,-0.2 -1,-0.3 -0.283 53.7-116.3 -79.2 173.8 -46.6 -27.0 -16.3 75 75 X R - 0 0 104 -2,-0.1 2,-0.1 -3,-0.1 -58,-0.1 -0.966 17.7-128.6-125.7 120.6 -47.7 -28.0 -12.8 76 76 X A - 0 0 34 -2,-0.5 2,-0.4 -10,-0.1 -62,-0.1 -0.398 25.2-175.7 -62.5 132.7 -45.5 -29.9 -10.3 77 77 X L - 0 0 116 -2,-0.1 2,-0.3 -63,-0.1 -2,-0.0 -0.982 9.8-153.8-132.7 124.9 -47.0 -33.0 -8.8 78 78 X F - 0 0 125 -2,-0.4 2,-0.3 -58,-0.1 -60,-0.1 -0.749 8.9-169.6-100.6 145.2 -45.1 -34.9 -6.2 79 79 X Q - 0 0 137 -2,-0.3 -2,-0.0 -62,-0.2 0, 0.0 -0.786 41.3 -68.9-120.7 167.1 -45.4 -38.5 -5.3 80 80 X D - 0 0 122 -2,-0.3 2,-0.8 1,-0.1 -1,-0.1 -0.190 45.4-127.8 -50.7 146.8 -44.1 -40.6 -2.4 81 81 X L - 0 0 69 -57,-0.1 -1,-0.1 -3,-0.1 -59,-0.0 -0.912 25.3-134.6-100.8 109.1 -40.3 -41.1 -2.4 82 82 X Q - 0 0 115 -2,-0.8 3,-0.1 1,-0.1 -54,-0.1 -0.337 25.1-105.1 -67.0 141.7 -39.7 -44.8 -2.1 83 83 X K - 0 0 143 1,-0.1 -1,-0.1 2,-0.1 -54,-0.1 -0.247 49.8 -82.3 -61.4 153.6 -37.1 -45.8 0.4 84 84 X P - 0 0 12 0, 0.0 -1,-0.1 0, 0.0 -58,-0.1 -0.200 40.4-111.0 -60.0 158.6 -33.7 -46.9 -1.0 85 85 X S S S+ 0 0 88 -3,-0.1 2,-0.3 2,-0.0 -2,-0.1 0.629 96.2 33.6 -69.5 -18.4 -33.4 -50.5 -2.2 86 86 X Q - 0 0 78 1,-0.1 3,-0.1 -57,-0.1 -54,-0.0 -0.965 54.6-154.6-136.9 152.4 -31.0 -51.6 0.6 87 87 X D S S+ 0 0 137 -2,-0.3 2,-0.3 1,-0.3 -1,-0.1 0.666 94.7 31.7 -93.5 -29.3 -30.4 -50.8 4.3 88 88 X E - 0 0 98 1,-0.0 -1,-0.3 -52,-0.0 -55,-0.1 -0.987 69.7-155.0-130.3 145.0 -26.8 -51.8 4.2 89 89 X W - 0 0 4 -2,-0.3 9,-0.2 1,-0.3 2,-0.1 0.270 23.6-144.9-112.1 11.7 -24.6 -51.4 1.1 90 90 X G - 0 0 15 4,-0.1 -1,-0.3 5,-0.1 2,-0.1 -0.348 55.0 -3.3 67.4-139.2 -21.9 -54.1 1.4 91 91 X T S > S- 0 0 55 -2,-0.1 4,-2.4 1,-0.1 5,-0.2 -0.260 75.6 -99.7 -84.1 171.6 -18.4 -53.4 0.2 92 92 X T H > S+ 0 0 1 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.951 126.4 47.2 -57.8 -48.2 -17.0 -50.4 -1.7 93 93 X P H > S+ 0 0 11 0, 0.0 4,-2.5 0, 0.0 -1,-0.2 0.908 110.1 54.5 -60.4 -37.6 -17.3 -52.2 -5.0 94 94 X D H > S+ 0 0 77 1,-0.2 4,-2.2 2,-0.2 -2,-0.2 0.919 112.3 43.3 -54.8 -47.2 -20.8 -53.3 -4.1 95 95 X A H X S+ 0 0 0 -4,-2.4 4,-2.5 2,-0.2 -1,-0.2 0.901 112.4 51.1 -68.7 -43.0 -21.8 -49.7 -3.5 96 96 X M H X S+ 0 0 0 -4,-2.7 4,-2.1 -5,-0.2 -2,-0.2 0.900 110.7 50.3 -62.3 -39.6 -20.1 -48.3 -6.6 97 97 X K H X S+ 0 0 101 -4,-2.5 4,-2.4 -5,-0.2 -2,-0.2 0.942 110.0 50.0 -61.7 -46.8 -21.9 -51.0 -8.7 98 98 X A H X S+ 0 0 24 -4,-2.2 4,-2.4 1,-0.2 -2,-0.2 0.897 109.9 51.8 -58.3 -40.6 -25.3 -50.0 -7.1 99 99 X A H X S+ 0 0 0 -4,-2.5 4,-2.6 2,-0.2 -1,-0.2 0.885 108.7 49.9 -61.7 -43.3 -24.5 -46.4 -7.9 100 100 X I H X S+ 0 0 20 -4,-2.1 4,-2.6 2,-0.2 5,-0.2 0.910 109.9 50.4 -64.5 -41.5 -23.8 -47.2 -11.5 101 101 X V H X S+ 0 0 102 -4,-2.4 4,-2.0 1,-0.2 -2,-0.2 0.935 112.6 48.4 -59.5 -45.7 -27.1 -49.1 -11.8 102 102 X L H X S+ 0 0 25 -4,-2.4 4,-2.0 1,-0.2 -2,-0.2 0.919 112.4 47.1 -59.5 -47.2 -28.9 -46.2 -10.3 103 103 X E H X S+ 0 0 0 -4,-2.6 4,-3.0 1,-0.2 -1,-0.2 0.879 109.2 53.6 -66.7 -38.7 -27.2 -43.7 -12.7 104 104 X K H X S+ 0 0 130 -4,-2.6 4,-2.5 2,-0.2 -1,-0.2 0.879 108.1 51.7 -62.8 -38.4 -27.9 -45.8 -15.7 105 105 X S H X S+ 0 0 64 -4,-2.0 4,-1.9 -5,-0.2 -2,-0.2 0.911 111.7 45.8 -65.9 -40.1 -31.6 -45.9 -14.8 106 106 X L H X S+ 0 0 2 -4,-2.0 4,-2.2 2,-0.2 -2,-0.2 0.919 112.1 52.1 -64.5 -45.9 -31.6 -42.0 -14.5 107 107 X N H X S+ 0 0 30 -4,-3.0 4,-2.7 2,-0.2 -2,-0.2 0.911 107.8 51.0 -56.7 -44.8 -29.8 -41.7 -17.8 108 108 X Q H X S+ 0 0 100 -4,-2.5 4,-2.7 1,-0.2 -1,-0.2 0.904 109.0 51.8 -60.7 -41.0 -32.3 -44.0 -19.5 109 109 X A H X S+ 0 0 8 -4,-1.9 4,-2.0 2,-0.2 -1,-0.2 0.891 110.7 48.0 -61.2 -39.4 -35.1 -41.8 -18.1 110 110 X L H X S+ 0 0 0 -4,-2.2 4,-2.6 2,-0.2 -2,-0.2 0.903 110.9 50.9 -66.4 -42.1 -33.3 -38.7 -19.5 111 111 X L H X S+ 0 0 74 -4,-2.7 4,-2.3 1,-0.2 -2,-0.2 0.919 109.7 50.7 -60.9 -44.5 -32.9 -40.5 -22.9 112 112 X D H X S+ 0 0 81 -4,-2.7 4,-2.2 2,-0.2 -1,-0.2 0.889 110.7 48.2 -60.4 -41.3 -36.6 -41.3 -22.9 113 113 X L H X S+ 0 0 5 -4,-2.0 4,-2.8 2,-0.2 -2,-0.2 0.911 109.9 52.2 -67.2 -40.7 -37.5 -37.7 -22.2 114 114 X A H X S+ 0 0 25 -4,-2.6 4,-1.9 2,-0.2 -2,-0.2 0.915 111.0 48.0 -58.8 -43.0 -35.2 -36.4 -24.9 115 115 X A H X S+ 0 0 62 -4,-2.3 4,-2.6 2,-0.2 -2,-0.2 0.910 111.2 50.4 -63.0 -43.9 -36.9 -38.9 -27.4 116 116 X L H X S+ 0 0 46 -4,-2.2 4,-2.2 2,-0.2 -2,-0.2 0.900 107.4 54.1 -61.5 -44.7 -40.3 -37.7 -26.2 117 117 X G H <>S+ 0 0 3 -4,-2.8 5,-2.8 2,-0.2 -1,-0.2 0.906 110.7 46.0 -53.9 -46.5 -39.3 -34.0 -26.7 118 118 X S H ><5S+ 0 0 102 -4,-1.9 3,-1.2 1,-0.2 -2,-0.2 0.916 112.7 50.2 -64.1 -44.2 -38.3 -34.8 -30.3 119 119 X A H 3<5S+ 0 0 83 -4,-2.6 -2,-0.2 1,-0.3 -1,-0.2 0.803 114.3 44.9 -63.1 -31.1 -41.5 -36.8 -30.9 120 120 X Q T 3<5S- 0 0 67 -4,-2.2 -1,-0.3 -5,-0.2 -2,-0.2 0.356 110.4-122.0 -94.3 4.8 -43.6 -33.9 -29.5 121 121 X A T < 5 + 0 0 69 -3,-1.2 -3,-0.2 -4,-0.2 -2,-0.1 0.944 60.9 149.1 48.8 54.6 -41.6 -31.3 -31.5 122 122 X D > < + 0 0 6 -5,-2.8 3,-1.2 1,-0.1 4,-0.4 -0.799 20.3 176.2-116.3 84.6 -40.6 -29.5 -28.3 123 123 X P T >> + 0 0 97 0, 0.0 4,-1.1 0, 0.0 3,-1.0 0.662 68.6 75.9 -71.3 -13.9 -37.2 -28.0 -29.0 124 124 X H H 3> S+ 0 0 73 1,-0.2 4,-2.6 2,-0.2 5,-0.1 0.862 88.6 62.5 -61.7 -31.3 -36.9 -26.2 -25.6 125 125 X L H <> S+ 0 0 5 -3,-1.2 4,-2.5 1,-0.2 5,-0.3 0.781 94.6 61.6 -61.9 -29.3 -36.1 -29.7 -24.2 126 126 X C H <> S+ 0 0 77 -3,-1.0 4,-1.5 -4,-0.4 -1,-0.2 0.965 109.8 38.6 -59.9 -54.3 -33.0 -29.8 -26.4 127 127 X D H X S+ 0 0 131 -4,-1.1 4,-0.6 1,-0.2 -2,-0.2 0.945 118.3 51.3 -60.9 -46.4 -31.5 -26.7 -24.7 128 128 X F H < S+ 0 0 26 -4,-2.6 4,-0.4 1,-0.2 -2,-0.2 0.898 118.2 31.2 -60.1 -46.0 -32.8 -27.8 -21.2 129 129 X L H X>S+ 0 0 0 -4,-2.5 5,-3.0 1,-0.2 4,-1.0 0.734 98.2 81.5 -87.0 -24.4 -31.5 -31.4 -21.1 130 130 X E H <>S+ 0 0 94 -4,-1.5 5,-1.6 -5,-0.3 -1,-0.2 0.851 105.1 13.8 -64.0 -43.7 -28.3 -31.4 -23.1 131 131 X S T <>S+ 0 0 71 -4,-0.6 5,-1.6 3,-0.2 -1,-0.1 0.926 127.5 42.2 -97.1 -58.4 -25.7 -30.0 -20.7 132 132 X H T 45S+ 0 0 78 -4,-0.4 -2,-0.1 3,-0.2 -3,-0.1 0.606 132.9 19.1 -68.7 -15.3 -26.9 -30.1 -17.1 133 133 X F T X5S+ 0 0 3 -4,-1.0 4,-2.5 -5,-0.1 5,-0.2 0.682 129.0 33.0-118.6 -69.3 -28.5 -33.5 -17.6 134 134 X L H > S+ 0 0 56 -4,-0.3 4,-2.7 -2,-0.3 5,-0.2 0.904 93.0 38.6 -61.6 -55.9 -9.6 -56.5 -0.0 160 160 X G H > S+ 0 0 59 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.963 122.3 43.3 -58.8 -54.3 -9.1 -54.6 3.3 161 161 X L H > S+ 0 0 98 1,-0.2 4,-2.7 2,-0.2 -2,-0.2 0.900 114.2 52.7 -55.6 -46.0 -5.9 -52.9 2.2 162 162 X G H X S+ 0 0 1 -4,-3.1 4,-2.4 -8,-0.3 -2,-0.2 0.915 109.3 46.9 -60.5 -48.2 -7.5 -52.2 -1.2 163 163 X E H X S+ 0 0 32 -4,-2.7 4,-2.0 -5,-0.2 -1,-0.2 0.901 113.6 49.1 -63.2 -40.1 -10.6 -50.5 0.2 164 164 X Y H X S+ 0 0 136 -4,-2.3 4,-2.3 -5,-0.2 -2,-0.2 0.946 112.0 47.9 -62.1 -49.3 -8.5 -48.4 2.6 165 165 X L H X S+ 0 0 62 -4,-2.7 4,-2.8 1,-0.2 5,-0.4 0.896 110.7 51.1 -62.3 -40.1 -6.1 -47.3 -0.1 166 166 X F H X>S+ 0 0 1 -4,-2.4 4,-2.3 1,-0.2 5,-1.6 0.935 111.8 47.3 -61.7 -47.0 -8.9 -46.3 -2.5 167 167 X E H <5S+ 0 0 5 -4,-2.0 -2,-0.2 -5,-0.2 -1,-0.2 0.884 118.9 40.5 -61.6 -39.5 -10.6 -44.3 0.1 168 168 X R H <5S+ 0 0 106 -4,-2.3 -2,-0.2 -5,-0.1 -1,-0.2 0.858 127.1 28.6 -75.4 -38.7 -7.3 -42.5 1.1 169 169 X L H <5S+ 0 0 138 -4,-2.8 -3,-0.2 -5,-0.2 -2,-0.2 0.657 128.2 31.2-108.8 -19.7 -5.8 -42.0 -2.3 170 170 X T T <5S+ 0 0 62 -4,-2.3 -3,-0.2 -5,-0.4 -4,-0.1 0.801 103.6 74.2-102.1 -47.6 -8.6 -41.6 -4.8 171 171 X L S