==== 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 27-JUN-10 3NOZ . COMPND 2 MOLECULE: FERRITIN LIGHT CHAIN; . SOURCE 2 ORGANISM_SCIENTIFIC: EQUUS CABALLUS; . AUTHOR Z.WANG,T.UENO,S.ABE,Y.TAKEZAWA,H.AOYAGI,T.HIKAGE,Y.WATANABE, . 174 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9913.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 135 77.6 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 . 4 2.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 11 6.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 114 65.5 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 1 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 0 152 0, 0.0 2,-0.3 0, 0.0 72,-0.0 0.000 360.0 360.0 360.0 166.6 -54.2 -22.2 -14.6 2 2 X S - 0 0 47 3,-0.1 72,-0.0 1,-0.1 71,-0.0 -0.995 360.0-169.1-142.6 145.3 -51.4 -20.8 -16.7 3 3 X Q S S+ 0 0 205 -2,-0.3 -1,-0.1 1,-0.1 70,-0.0 0.295 89.0 50.2-108.4 8.1 -51.1 -17.8 -19.0 4 4 X I + 0 0 104 69,-0.1 69,-0.1 2,-0.0 -1,-0.1 0.552 67.8 127.1-124.2 -15.6 -47.8 -18.9 -20.5 5 5 X R + 0 0 88 68,-0.2 2,-0.3 2,-0.0 68,-0.1 -0.286 27.8 162.9 -62.2 127.4 -48.0 -22.5 -21.7 6 6 X Q - 0 0 157 66,-0.5 3,-0.1 -2,-0.1 -1,-0.0 -0.942 63.8 -11.5-150.4 122.4 -46.9 -23.0 -25.3 7 7 X N S S+ 0 0 97 -2,-0.3 2,-0.6 1,-0.2 -2,-0.0 0.825 91.8 132.4 60.2 33.2 -45.9 -26.2 -27.1 8 8 X Y - 0 0 12 64,-0.1 -1,-0.2 65,-0.0 114,-0.0 -0.904 46.4-148.0-121.6 101.8 -45.7 -28.1 -23.8 9 9 X S > - 0 0 19 -2,-0.6 4,-2.5 1,-0.1 5,-0.1 -0.257 20.7-126.1 -72.1 154.8 -47.5 -31.4 -24.0 10 10 X T H > S+ 0 0 92 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.839 113.0 59.3 -63.2 -31.0 -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 0.933 108.3 42.2 -63.3 -46.4 -47.1 -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 0.930 111.7 55.6 -66.9 -45.0 -43.9 -34.2 -21.3 13 13 X E H X S+ 0 0 30 -4,-2.5 4,-1.9 1,-0.2 -2,-0.2 0.919 111.5 44.0 -52.1 -47.0 -45.4 -32.5 -18.2 14 14 X A H X S+ 0 0 35 -4,-2.4 4,-2.2 1,-0.2 -1,-0.2 0.904 112.7 51.2 -66.2 -42.8 -46.1 -35.9 -16.7 15 15 X A H X S+ 0 0 13 -4,-2.2 4,-2.3 1,-0.2 -1,-0.2 0.848 107.9 53.5 -62.4 -38.2 -42.7 -37.3 -17.7 16 16 X V H X S+ 0 0 0 -4,-2.8 4,-2.3 2,-0.2 -1,-0.2 0.922 107.9 50.2 -64.2 -43.7 -41.0 -34.3 -16.1 17 17 X N H X S+ 0 0 17 -4,-1.9 4,-1.9 -5,-0.2 -2,-0.2 0.906 111.5 48.5 -60.0 -41.3 -42.9 -35.0 -12.8 18 18 X R H X S+ 0 0 150 -4,-2.2 4,-2.3 2,-0.2 -2,-0.2 0.903 109.7 52.0 -65.7 -38.4 -41.8 -38.6 -12.9 19 19 X L H X S+ 0 0 5 -4,-2.3 4,-2.6 2,-0.2 -2,-0.2 0.884 106.0 54.7 -65.3 -38.5 -38.2 -37.6 -13.6 20 20 X V H X S+ 0 0 2 -4,-2.3 4,-2.6 2,-0.2 5,-0.2 0.938 108.7 48.9 -56.5 -46.5 -38.3 -35.3 -10.6 21 21 X N H X S+ 0 0 35 -4,-1.9 4,-2.6 1,-0.2 -2,-0.2 0.918 110.6 50.3 -61.1 -42.5 -39.4 -38.3 -8.5 22 22 X L H X S+ 0 0 69 -4,-2.3 4,-2.2 1,-0.2 -1,-0.2 0.894 111.7 47.9 -63.3 -40.7 -36.5 -40.4 -9.9 23 23 X Y H X S+ 0 0 0 -4,-2.6 4,-2.4 2,-0.2 -2,-0.2 0.907 113.1 47.4 -67.5 -41.7 -34.0 -37.7 -9.2 24 24 X L H X S+ 0 0 35 -4,-2.6 4,-2.2 2,-0.2 -2,-0.2 0.891 111.1 51.2 -65.0 -39.4 -35.3 -37.3 -5.7 25 25 X R H X S+ 0 0 80 -4,-2.6 4,-2.4 -5,-0.2 -2,-0.2 0.904 109.7 50.6 -62.9 -40.9 -35.3 -41.0 -5.1 26 26 X A H X S+ 0 0 1 -4,-2.2 4,-2.5 2,-0.2 -2,-0.2 0.919 108.7 52.1 -61.3 -43.3 -31.7 -41.1 -6.3 27 27 X S H X S+ 0 0 11 -4,-2.4 4,-2.2 1,-0.2 -2,-0.2 0.919 109.6 49.4 -58.4 -43.8 -30.8 -38.3 -3.9 28 28 X Y H X S+ 0 0 104 -4,-2.2 4,-2.1 2,-0.2 -1,-0.2 0.897 109.2 52.0 -64.1 -41.5 -32.4 -40.3 -1.1 29 29 X T H X S+ 0 0 13 -4,-2.4 4,-2.9 1,-0.2 -1,-0.2 0.920 110.5 48.4 -58.2 -44.5 -30.4 -43.4 -2.1 30 30 X Y H X S+ 0 0 0 -4,-2.5 4,-2.5 2,-0.2 -2,-0.2 0.850 106.4 56.7 -68.1 -34.3 -27.2 -41.4 -2.0 31 31 X L H X S+ 0 0 75 -4,-2.2 4,-2.0 2,-0.2 -1,-0.2 0.943 112.1 43.1 -57.1 -48.3 -28.1 -40.0 1.4 32 32 X S H X S+ 0 0 34 -4,-2.1 4,-2.1 1,-0.2 -2,-0.2 0.913 111.2 54.3 -65.7 -45.9 -28.4 -43.6 2.7 33 33 X L H X S+ 0 0 1 -4,-2.9 4,-1.5 1,-0.2 -2,-0.2 0.938 109.4 47.8 -53.2 -49.4 -25.2 -44.7 0.9 34 34 X G H X S+ 0 0 0 -4,-2.5 4,-0.5 1,-0.2 3,-0.4 0.928 111.3 49.0 -61.5 -46.4 -23.1 -42.0 2.5 35 35 X F H >< S+ 0 0 116 -4,-2.0 3,-0.9 1,-0.2 4,-0.3 0.838 104.6 59.5 -66.3 -30.2 -24.4 -42.6 6.0 36 36 X Y H >< S+ 0 0 31 -4,-2.1 3,-1.4 1,-0.2 7,-0.3 0.902 103.3 52.5 -60.0 -40.5 -23.8 -46.3 5.7 37 37 X F H 3< S+ 0 0 1 -4,-1.5 7,-2.7 -3,-0.4 -1,-0.2 0.590 103.6 58.9 -75.0 -7.2 -20.1 -45.5 5.1 38 38 X D T << S+ 0 0 105 -3,-0.9 -1,-0.3 -4,-0.5 -2,-0.2 0.379 76.3 118.9 -98.3 -2.2 -20.1 -43.4 8.3 39 39 X R S X> S- 0 0 82 -3,-1.4 4,-2.3 -4,-0.3 3,-2.1 -0.402 76.1-122.3 -57.3 143.1 -21.1 -46.3 10.5 40 40 X D T 34 S+ 0 0 155 1,-0.3 -1,-0.1 2,-0.2 -3,-0.0 0.775 113.7 53.5 -63.0 -23.4 -18.4 -47.0 13.0 41 41 X D T 34 S+ 0 0 102 1,-0.0 -1,-0.3 0, 0.0 -2,-0.1 0.280 120.5 31.8 -92.4 9.0 -18.1 -50.6 11.7 42 42 X V T <4 S+ 0 0 32 -3,-2.1 -2,-0.2 -6,-0.1 -5,-0.1 0.581 78.4 170.8-123.7 -64.0 -17.6 -49.3 8.1 43 43 X A < + 0 0 66 -4,-2.3 2,-0.4 -7,-0.3 -5,-0.2 0.902 12.6 149.4 57.1 60.7 -15.8 -45.9 8.6 44 44 X L >> - 0 0 16 -7,-2.7 4,-1.6 1,-0.2 3,-0.9 -0.801 21.9-174.3-124.7 88.5 -14.7 -44.8 5.1 45 45 X C H 3> S+ 0 0 45 -2,-0.4 4,-2.1 1,-0.3 3,-0.3 0.882 80.6 53.3 -49.3 -51.6 -14.7 -41.0 5.2 46 46 X G H 3> S+ 0 0 1 1,-0.3 4,-2.1 2,-0.2 -1,-0.3 0.813 106.5 53.6 -60.8 -32.3 -14.0 -40.5 1.5 47 47 X V H <> S+ 0 0 0 -3,-0.9 4,-2.3 2,-0.2 5,-0.3 0.869 105.5 53.7 -71.2 -37.3 -16.9 -42.8 0.5 48 48 X C H X S+ 0 0 19 -4,-1.6 4,-2.5 -3,-0.3 5,-0.2 0.951 110.6 46.4 -59.5 -48.8 -19.3 -40.7 2.6 49 49 X H H X S+ 0 0 62 -4,-2.1 4,-2.4 2,-0.2 5,-0.2 0.922 110.5 54.3 -59.7 -42.1 -18.2 -37.5 0.8 50 50 X F H X S+ 0 0 18 -4,-2.1 4,-1.6 1,-0.2 -2,-0.2 0.944 114.8 37.9 -58.3 -52.7 -18.4 -39.2 -2.6 51 51 X F H X S+ 0 0 0 -4,-2.3 4,-2.2 1,-0.2 -1,-0.2 0.852 115.2 53.2 -72.0 -33.4 -22.1 -40.3 -2.1 52 52 X H H X S+ 0 0 48 -4,-2.5 4,-1.9 -5,-0.3 -1,-0.2 0.867 105.1 54.3 -70.7 -31.1 -23.2 -37.2 -0.3 53 53 X E H X S+ 0 0 97 -4,-2.4 4,-2.3 -5,-0.2 -1,-0.2 0.916 110.3 48.5 -62.2 -44.7 -21.9 -35.0 -3.0 54 54 X L H X S+ 0 0 5 -4,-1.6 4,-2.8 -5,-0.2 -2,-0.2 0.881 105.2 57.4 -64.5 -36.9 -24.0 -37.1 -5.4 55 55 X A H X S+ 0 0 5 -4,-2.2 4,-2.0 1,-0.2 -1,-0.2 0.931 110.1 45.5 -56.9 -43.7 -27.1 -36.7 -3.1 56 56 X E H X S+ 0 0 100 -4,-1.9 4,-2.6 2,-0.2 -2,-0.2 0.920 111.3 52.0 -66.0 -44.3 -26.7 -33.0 -3.4 57 57 X E H X S+ 0 0 69 -4,-2.3 4,-2.1 1,-0.2 -2,-0.2 0.906 110.5 48.3 -58.6 -43.6 -26.2 -33.2 -7.2 58 58 X K H X S+ 0 0 0 -4,-2.8 4,-2.2 2,-0.2 -1,-0.2 0.888 110.5 50.3 -67.1 -39.4 -29.4 -35.3 -7.6 59 59 X R H X S+ 0 0 95 -4,-2.0 4,-2.4 -5,-0.2 -2,-0.2 0.929 110.4 50.6 -62.4 -43.9 -31.5 -32.9 -5.4 60 60 X E H X S+ 0 0 88 -4,-2.6 4,-2.5 1,-0.2 -2,-0.2 0.883 107.8 53.8 -61.0 -37.6 -30.2 -30.0 -7.5 61 61 X G H X S+ 0 0 4 -4,-2.1 4,-2.2 2,-0.2 -1,-0.2 0.922 109.3 47.5 -62.7 -45.7 -31.2 -31.9 -10.7 62 62 X A H X S+ 0 0 0 -4,-2.2 4,-2.3 1,-0.2 -2,-0.2 0.906 111.0 52.4 -59.8 -42.5 -34.8 -32.4 -9.4 63 63 X E H X S+ 0 0 104 -4,-2.4 4,-2.3 2,-0.2 -2,-0.2 0.893 108.4 50.4 -63.5 -39.0 -34.9 -28.7 -8.4 64 64 X R H X S+ 0 0 132 -4,-2.5 4,-2.2 1,-0.2 -1,-0.2 0.885 109.4 50.9 -64.5 -41.9 -33.8 -27.7 -11.9 65 65 X L H X S+ 0 0 0 -4,-2.2 4,-2.6 2,-0.2 -2,-0.2 0.899 110.4 49.4 -61.2 -41.0 -36.5 -29.8 -13.4 66 66 X L H X S+ 0 0 33 -4,-2.3 4,-2.1 2,-0.2 -2,-0.2 0.889 109.4 51.3 -67.0 -39.7 -39.1 -28.3 -11.1 67 67 X K H X S+ 0 0 143 -4,-2.3 4,-2.3 1,-0.2 -1,-0.2 0.930 112.1 47.6 -59.8 -44.7 -38.0 -24.8 -12.1 68 68 X M H X S+ 0 0 0 -4,-2.2 4,-2.2 2,-0.2 6,-0.2 0.900 106.1 58.0 -63.4 -43.0 -38.3 -25.7 -15.8 69 69 X Q H X>S+ 0 0 0 -4,-2.6 5,-2.2 1,-0.2 4,-0.6 0.937 111.6 42.0 -51.3 -50.5 -41.8 -27.3 -15.1 70 70 X N H ><5S+ 0 0 93 -4,-2.1 3,-0.8 1,-0.2 -1,-0.2 0.864 109.4 57.8 -67.9 -36.3 -43.0 -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 0.848 110.4 45.0 -60.7 -32.8 -41.1 -22.0 -16.6 72 72 X R H 3<5S- 0 0 27 -4,-2.2 -66,-0.5 -3,-0.2 -1,-0.2 0.552 119.2-109.3 -88.2 -8.8 -43.1 -24.0 -19.2 73 73 X G T <<5S+ 0 0 2 -3,-0.8 -3,-0.2 -4,-0.6 -68,-0.2 0.540 73.6 136.0 88.1 8.3 -46.5 -23.6 -17.4 74 74 X G < - 0 0 0 -5,-2.2 2,-0.5 -6,-0.2 -1,-0.3 -0.304 53.7-117.2 -77.6 170.6 -46.7 -27.2 -16.3 75 75 X R - 0 0 102 -2,-0.1 2,-0.1 -3,-0.1 -58,-0.1 -0.952 18.5-125.7-123.5 120.1 -47.7 -28.2 -12.8 76 76 X A - 0 0 37 -2,-0.5 2,-0.4 -10,-0.1 -62,-0.1 -0.382 25.7-174.8 -60.4 132.8 -45.5 -30.0 -10.3 77 77 X L - 0 0 112 -2,-0.1 2,-0.3 -63,-0.1 -2,-0.0 -0.973 9.0-155.3-132.7 121.4 -47.0 -33.1 -8.8 78 78 X F - 0 0 124 -2,-0.4 2,-0.3 -58,-0.1 -60,-0.1 -0.677 9.2-171.4 -97.5 144.7 -45.1 -34.9 -6.1 79 79 X Q - 0 0 137 -2,-0.3 -2,-0.0 -62,-0.2 0, 0.0 -0.792 40.4 -67.9-121.6 171.8 -45.3 -38.6 -5.3 80 80 X D - 0 0 124 -2,-0.3 2,-0.8 1,-0.1 -1,-0.1 -0.203 44.3-128.7 -52.6 149.4 -44.0 -40.7 -2.5 81 81 X L - 0 0 70 -57,-0.1 -1,-0.1 -3,-0.1 -59,-0.0 -0.903 24.9-133.4-104.2 110.2 -40.3 -41.1 -2.4 82 82 X Q - 0 0 114 -2,-0.8 3,-0.1 1,-0.1 -54,-0.1 -0.337 24.8-107.0 -62.2 135.4 -39.6 -44.8 -2.1 83 83 X K - 0 0 138 1,-0.1 -1,-0.1 2,-0.1 -54,-0.1 -0.231 50.8 -82.1 -55.7 151.0 -37.1 -45.8 0.5 84 84 X P - 0 0 13 0, 0.0 -1,-0.1 0, 0.0 -58,-0.0 -0.186 39.8-111.4 -58.8 157.3 -33.7 -46.9 -0.9 85 85 X S S S+ 0 0 90 -3,-0.1 2,-0.3 2,-0.1 -2,-0.1 0.619 96.4 34.2 -69.1 -17.7 -33.4 -50.5 -2.1 86 86 X Q - 0 0 82 1,-0.1 3,-0.1 -57,-0.0 -54,-0.0 -0.961 53.8-157.3-135.9 151.2 -31.0 -51.6 0.6 87 87 X D S S+ 0 0 131 -2,-0.3 2,-0.4 1,-0.2 -1,-0.1 0.670 93.6 35.7 -92.6 -28.5 -30.5 -50.7 4.3 88 88 X E - 0 0 117 1,-0.0 -1,-0.2 -52,-0.0 -55,-0.1 -0.988 69.1-159.3-128.1 136.5 -26.8 -51.9 4.2 89 89 X W - 0 0 4 -2,-0.4 9,-0.2 1,-0.3 2,-0.1 0.313 22.2-145.0-109.6 10.2 -24.7 -51.4 1.1 90 90 X G - 0 0 29 4,-0.1 -1,-0.3 5,-0.1 2,-0.1 -0.400 55.6 -5.1 70.0-137.5 -21.8 -53.9 1.5 91 91 X T S > S- 0 0 59 -2,-0.1 4,-2.7 1,-0.1 5,-0.2 -0.375 74.6-100.9 -86.6 169.7 -18.3 -53.1 0.3 92 92 X T H > S+ 0 0 2 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.903 127.7 53.2 -54.3 -38.4 -17.2 -49.9 -1.6 93 93 X L H > S+ 0 0 29 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.927 107.5 47.9 -62.9 -50.1 -17.3 -52.1 -4.6 94 94 X D H > S+ 0 0 76 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.907 114.6 48.2 -54.3 -45.6 -20.9 -53.3 -4.0 95 95 X A H X S+ 0 0 0 -4,-2.7 4,-2.5 2,-0.2 -2,-0.2 0.903 110.0 49.4 -64.9 -43.3 -21.9 -49.6 -3.4 96 96 X M H X S+ 0 0 0 -4,-2.6 4,-2.3 2,-0.2 -1,-0.2 0.895 110.8 51.8 -66.7 -36.7 -20.2 -48.3 -6.5 97 97 X K H X S+ 0 0 93 -4,-2.3 4,-2.2 2,-0.2 -2,-0.2 0.941 110.3 47.7 -60.8 -47.3 -21.9 -51.1 -8.5 98 98 X A H X S+ 0 0 26 -4,-2.4 4,-2.5 1,-0.2 -2,-0.2 0.898 110.8 53.0 -61.4 -37.5 -25.3 -50.1 -7.1 99 99 X A H X S+ 0 0 0 -4,-2.5 4,-2.6 1,-0.2 -1,-0.2 0.910 107.6 50.0 -65.2 -42.6 -24.5 -46.4 -7.9 100 100 X I H X S+ 0 0 14 -4,-2.3 4,-2.6 2,-0.2 -1,-0.2 0.898 110.9 49.9 -63.4 -41.2 -23.7 -47.2 -11.5 101 101 X V H X S+ 0 0 99 -4,-2.2 4,-1.7 2,-0.2 -2,-0.2 0.933 110.5 50.3 -63.1 -42.2 -26.9 -49.1 -11.9 102 102 X L H X S+ 0 0 29 -4,-2.5 4,-1.9 1,-0.2 -2,-0.2 0.925 112.3 46.5 -56.5 -48.3 -28.8 -46.2 -10.4 103 103 X E H X S+ 0 0 0 -4,-2.6 4,-2.9 1,-0.2 -1,-0.2 0.888 108.1 54.8 -66.1 -41.9 -27.2 -43.7 -12.8 104 104 X K H X S+ 0 0 124 -4,-2.6 4,-2.3 1,-0.2 -1,-0.2 0.880 108.2 51.6 -57.8 -36.7 -27.8 -45.9 -15.8 105 105 X S H X S+ 0 0 62 -4,-1.7 4,-2.1 2,-0.2 -2,-0.2 0.901 111.1 46.2 -68.8 -38.9 -31.5 -45.9 -14.9 106 106 X L H X S+ 0 0 1 -4,-1.9 4,-2.1 2,-0.2 -2,-0.2 0.899 111.9 51.9 -65.5 -43.7 -31.6 -42.1 -14.6 107 107 X N H X S+ 0 0 31 -4,-2.9 4,-2.5 2,-0.2 -2,-0.2 0.917 108.7 50.1 -58.9 -44.3 -29.7 -41.8 -17.9 108 108 X Q H X S+ 0 0 99 -4,-2.3 4,-2.6 1,-0.2 -1,-0.2 0.901 108.9 52.5 -62.5 -39.0 -32.2 -44.1 -19.5 109 109 X A H X S+ 0 0 18 -4,-2.1 4,-2.1 2,-0.2 -1,-0.2 0.900 109.5 49.5 -63.2 -38.1 -35.1 -42.0 -18.1 110 110 X L H X S+ 0 0 0 -4,-2.1 4,-2.7 2,-0.2 -2,-0.2 0.924 110.9 49.2 -63.5 -44.5 -33.4 -38.9 -19.6 111 111 X L H X S+ 0 0 78 -4,-2.5 4,-2.4 2,-0.2 -2,-0.2 0.900 110.5 50.7 -62.1 -41.8 -33.0 -40.6 -23.0 112 112 X D H X S+ 0 0 95 -4,-2.6 4,-1.9 2,-0.2 -1,-0.2 0.894 111.8 47.9 -61.6 -42.4 -36.7 -41.6 -22.9 113 113 X L H X S+ 0 0 6 -4,-2.1 4,-2.5 2,-0.2 -2,-0.2 0.901 110.2 51.1 -67.0 -40.9 -37.7 -38.0 -22.1 114 114 X H H X S+ 0 0 53 -4,-2.7 4,-2.3 1,-0.2 -2,-0.2 0.915 109.7 50.9 -62.0 -41.2 -35.6 -36.6 -24.9 115 115 X A H X S+ 0 0 59 -4,-2.4 4,-2.4 2,-0.2 -1,-0.2 0.884 109.5 50.4 -62.0 -39.6 -37.2 -39.1 -27.3 116 116 X L H X S+ 0 0 48 -4,-1.9 4,-2.0 2,-0.2 -2,-0.2 0.906 108.6 52.1 -64.4 -42.3 -40.6 -37.9 -26.1 117 117 X G H <>S+ 0 0 1 -4,-2.5 5,-2.9 2,-0.2 -2,-0.2 0.891 110.3 48.4 -58.8 -42.4 -39.6 -34.3 -26.6 118 118 X S H ><5S+ 0 0 76 -4,-2.3 3,-1.1 3,-0.2 -2,-0.2 0.914 111.7 49.2 -63.1 -44.9 -38.5 -35.2 -30.2 119 119 X A H 3<5S+ 0 0 83 -4,-2.4 -2,-0.2 1,-0.3 -1,-0.2 0.808 115.5 43.6 -63.9 -31.8 -41.8 -37.0 -30.8 120 120 X Q T 3<5S- 0 0 68 -4,-2.0 -1,-0.3 -5,-0.1 -2,-0.2 0.363 111.8-121.8 -93.9 3.9 -43.7 -34.0 -29.4 121 121 X A T < 5 + 0 0 66 -3,-1.1 -3,-0.2 -4,-0.2 -4,-0.1 0.947 58.3 152.8 48.3 59.0 -41.5 -31.5 -31.4 122 122 X D >< + 0 0 3 -5,-2.9 4,-1.8 1,-0.1 3,-0.2 -0.801 16.7 172.0-118.7 84.1 -40.4 -29.7 -28.2 123 123 X P H > S+ 0 0 87 0, 0.0 4,-2.9 0, 0.0 5,-0.2 0.796 74.9 61.5 -70.1 -27.0 -37.0 -28.2 -28.8 124 124 X H H > S+ 0 0 87 2,-0.2 4,-2.6 1,-0.2 5,-0.1 0.931 106.6 46.7 -63.2 -39.2 -36.9 -26.3 -25.5 125 125 X L H > S+ 0 0 0 -3,-0.2 4,-2.2 2,-0.2 5,-0.2 0.939 111.4 52.0 -63.7 -45.9 -37.1 -29.5 -23.7 126 126 X C H X S+ 0 0 49 -4,-1.8 4,-1.0 1,-0.2 -2,-0.2 0.901 111.5 46.1 -52.7 -50.7 -34.4 -31.0 -25.9 127 127 X D H >X S+ 0 0 59 -4,-2.9 4,-1.3 1,-0.2 3,-0.6 0.930 111.9 52.7 -58.3 -48.1 -32.1 -28.0 -25.2 128 128 X F H 3< S+ 0 0 35 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.867 106.7 49.7 -59.1 -44.7 -32.8 -28.2 -21.5 129 129 X L H 3<>S+ 0 0 0 -4,-2.2 5,-3.1 1,-0.2 4,-0.5 0.753 105.1 64.5 -70.6 -18.0 -32.0 -31.9 -21.1 130 130 X E H X<>S+ 0 0 43 -4,-1.0 5,-1.7 -3,-0.6 3,-0.5 0.988 97.9 47.9 -63.9 -77.2 -28.8 -31.3 -22.9 131 131 X S T 3<5S+ 0 0 69 -4,-1.3 3,-0.1 1,-0.2 0, 0.0 -0.528 126.0 7.5 -65.2 134.5 -26.9 -29.1 -20.6 132 132 X H T 3 5S+ 0 0 34 -2,-0.2 -1,-0.2 1,-0.2 -2,-0.1 0.296 133.4 43.2 73.7 -7.8 -26.9 -30.1 -17.0 133 133 X F T <>5S+ 0 0 1 -3,-0.5 4,-2.5 -4,-0.5 -3,-0.2 0.588 111.6 34.8-124.4 -65.5 -28.5 -33.5 -17.6 134 134 X L H > S+ 0 0 65 -6,-0.3 4,-2.4 1,-0.2 -2,-0.2 0.894 108.6 50.8 -61.5 -40.9 -23.4 -34.6 -16.7 137 137 X E H X S+ 0 0 0 -4,-2.5 4,-2.8 2,-0.2 5,-0.2 0.918 109.3 49.4 -61.8 -46.7 -24.8 -38.1 -16.7 138 138 X V H X S+ 0 0 86 -4,-1.8 4,-2.2 2,-0.2 -2,-0.2 0.937 113.8 46.5 -59.4 -45.9 -22.2 -39.3 -19.2 139 139 X K H X S+ 0 0 131 -4,-2.1 4,-2.1 2,-0.2 -2,-0.2 0.904 113.7 48.1 -62.6 -43.5 -19.4 -37.7 -17.3 140 140 X L H X S+ 0 0 14 -4,-2.4 4,-2.6 2,-0.2 -2,-0.2 0.922 111.3 49.3 -64.1 -45.0 -20.6 -39.1 -14.0 141 141 X I H X S+ 0 0 33 -4,-2.8 4,-2.4 2,-0.2 -1,-0.2 0.889 110.0 52.2 -63.7 -38.1 -21.1 -42.6 -15.3 142 142 X K H X S+ 0 0 128 -4,-2.2 4,-2.4 -5,-0.2 -1,-0.2 0.931 109.7 49.4 -61.3 -46.1 -17.5 -42.5 -16.8 143 143 X K H X S+ 0 0 111 -4,-2.1 4,-2.6 1,-0.2 -2,-0.2 0.915 111.8 48.5 -58.1 -45.0 -16.1 -41.5 -13.4 144 144 X M H X S+ 0 0 0 -4,-2.6 4,-2.8 2,-0.2 -1,-0.2 0.888 110.2 50.7 -64.5 -39.9 -18.0 -44.3 -11.7 145 145 X G H X S+ 0 0 27 -4,-2.4 4,-2.1 2,-0.2 -1,-0.2 0.908 110.2 50.6 -63.5 -41.3 -16.8 -46.8 -14.3 146 146 X D H X S+ 0 0 67 -4,-2.4 4,-2.2 2,-0.2 -2,-0.2 0.927 111.7 48.5 -60.8 -45.6 -13.2 -45.6 -13.7 147 147 X H H X S+ 0 0 19 -4,-2.6 4,-3.0 1,-0.2 5,-0.2 0.926 108.9 52.4 -60.4 -46.5 -13.7 -46.0 -9.9 148 148 X L H X S+ 0 0 25 -4,-2.8 4,-2.6 1,-0.2 -1,-0.2 0.886 108.3 50.8 -55.4 -45.7 -15.1 -49.5 -10.3 149 149 X T H X S+ 0 0 67 -4,-2.1 4,-2.2 2,-0.2 -1,-0.2 0.926 112.8 46.5 -59.2 -44.3 -12.1 -50.5 -12.4 150 150 X N H X S+ 0 0 57 -4,-2.2 4,-1.2 2,-0.2 -2,-0.2 0.897 112.5 48.9 -67.1 -40.2 -9.7 -49.2 -9.7 151 151 X I H >X S+ 0 0 14 -4,-3.0 4,-0.8 1,-0.2 3,-0.5 0.935 111.8 50.7 -62.1 -44.8 -11.7 -50.8 -6.9 152 152 X Q H >X S+ 0 0 94 -4,-2.6 3,-0.8 1,-0.3 4,-0.7 0.891 107.9 51.2 -62.5 -40.3 -11.7 -54.1 -8.8 153 153 X R H 3< S+ 0 0 169 -4,-2.2 -1,-0.3 1,-0.2 -2,-0.2 0.777 108.1 55.6 -69.5 -21.5 -7.9 -54.0 -9.4 154 154 X L H << S+ 0 0 60 -4,-1.2 8,-0.3 -3,-0.5 -1,-0.2 0.596 92.8 70.0 -88.2 -13.3 -7.4 -53.4 -5.6 155 155 X V H X< + 0 0 51 -3,-0.8 3,-0.8 -4,-0.8 7,-0.2 0.982 59.8 126.0 -64.9 -60.5 -9.2 -56.4 -4.4 156 156 X G T 3< S- 0 0 72 -4,-0.7 3,-0.2 1,-0.3 -1,-0.1 -0.059 96.1 -35.4 40.8-119.3 -6.9 -59.2 -5.4 157 157 X S T 3 S+ 0 0 114 1,-0.2 2,-0.4 -3,-0.1 -1,-0.3 0.532 139.0 58.1-104.8 -13.8 -6.1 -61.2 -2.3 158 158 X Q <> + 0 0 117 -3,-0.8 4,-2.1 -4,-0.2 5,-0.2 -0.652 56.9 163.0-120.7 68.9 -6.1 -58.3 0.1 159 159 X A H > S+ 0 0 55 -2,-0.4 4,-2.5 1,-0.2 5,-0.2 0.846 74.3 53.8 -62.1 -39.3 -9.6 -56.7 -0.1 160 160 X G H > S+ 0 0 55 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.942 111.0 45.5 -59.5 -50.8 -9.3 -54.7 3.2 161 161 X L H > S+ 0 0 92 1,-0.2 4,-2.7 2,-0.2 -2,-0.2 0.916 113.9 49.6 -57.0 -47.1 -6.0 -53.1 2.3 162 162 X G H X S+ 0 0 4 -4,-2.1 4,-2.4 -8,-0.3 -2,-0.2 0.896 109.9 50.8 -61.9 -41.0 -7.4 -52.2 -1.2 163 163 X E H X S+ 0 0 53 -4,-2.5 4,-1.8 2,-0.2 -1,-0.2 0.910 112.1 46.9 -65.1 -44.0 -10.6 -50.7 0.2 164 164 X Y H X S+ 0 0 131 -4,-2.3 4,-2.4 -5,-0.2 -2,-0.2 0.938 112.6 49.4 -58.8 -50.0 -8.6 -48.5 2.6 165 165 X L H X S+ 0 0 59 -4,-2.7 4,-2.8 1,-0.2 5,-0.3 0.883 108.8 51.9 -63.3 -37.6 -6.1 -47.4 -0.1 166 166 X F H X>S+ 0 0 3 -4,-2.4 4,-2.3 2,-0.2 5,-1.9 0.927 112.1 46.2 -62.8 -44.1 -8.9 -46.5 -2.6 167 167 X E H <5S+ 0 0 7 -4,-1.8 -2,-0.2 3,-0.2 -1,-0.2 0.901 118.3 43.2 -64.7 -39.0 -10.6 -44.3 0.0 168 168 X R H <5S+ 0 0 111 -4,-2.4 -2,-0.2 -5,-0.2 -1,-0.2 0.865 126.6 27.0 -73.5 -39.5 -7.3 -42.7 1.1 169 169 X L H <5S+ 0 0 119 -4,-2.8 -3,-0.2 -5,-0.2 -2,-0.2 0.639 131.3 27.7-109.3 -16.7 -5.8 -42.1 -2.3 170 170 X T T <5S+ 0 0 64 -4,-2.3 2,-0.6 -5,-0.3 -3,-0.2 0.754 117.3 52.4-106.7 -46.3 -8.7 -41.8 -4.8 171 171 X L S