==== 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 27-APR-09 3H7G . COMPND 2 MOLECULE: FERRITIN LIGHT CHAIN; . SOURCE 2 ORGANISM_SCIENTIFIC: EQUUS CABALLUS; . AUTHOR M.ABE,T.UENO,S.ABE,M.SUZUKI,T.GOTO,Y.TODA,T.AKITA,Y.YAMADA,Y . 172 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9791.0 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 . 2 1.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 5 2.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 118 68.6 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 2 1 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 A S 0 0 133 0, 0.0 4,-0.1 0, 0.0 71,-0.0 0.000 360.0 360.0 360.0 -44.7 52.6 20.4 20.2 2 3 A Q - 0 0 184 2,-0.1 70,-0.0 0, 0.0 0, 0.0 -0.988 360.0 -9.0 -92.1 -11.2 51.4 19.4 17.8 3 4 A I S S+ 0 0 98 69,-0.1 69,-0.1 2,-0.0 67,-0.0 0.633 92.7 119.2-115.9 -20.3 47.9 20.5 18.8 4 5 A R + 0 0 67 68,-0.2 2,-0.3 2,-0.0 68,-0.1 -0.254 31.9 162.4 -61.4 129.3 48.0 21.6 22.5 5 6 A Q - 0 0 154 66,-0.4 3,-0.1 -4,-0.1 -1,-0.0 -0.943 64.2 -9.1-151.8 124.7 47.0 25.3 22.9 6 7 A N S S+ 0 0 98 -2,-0.3 2,-0.6 1,-0.2 -2,-0.0 0.796 91.6 132.4 59.6 32.6 46.0 27.1 26.1 7 8 A Y - 0 0 11 64,-0.1 -1,-0.2 65,-0.0 114,-0.0 -0.894 46.0-148.4-122.0 102.6 45.9 23.8 28.0 8 9 A S > - 0 0 18 -2,-0.6 4,-2.5 1,-0.1 5,-0.1 -0.245 20.5-126.4 -72.0 154.3 47.7 24.0 31.4 9 10 A T H > S+ 0 0 91 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.842 112.1 59.5 -63.8 -31.3 49.4 21.1 33.1 10 11 A E H > S+ 0 0 95 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.933 108.6 41.7 -62.0 -47.9 47.3 21.9 36.1 11 12 A V H > S+ 0 0 0 2,-0.2 4,-2.8 1,-0.2 5,-0.2 0.923 111.7 56.3 -66.9 -43.8 44.1 21.3 34.2 12 13 A E H X S+ 0 0 46 -4,-2.5 4,-1.8 1,-0.2 -2,-0.2 0.923 111.6 43.0 -53.0 -48.2 45.5 18.2 32.5 13 14 A A H X S+ 0 0 36 -4,-2.5 4,-2.1 2,-0.2 -1,-0.2 0.893 112.9 52.1 -64.2 -42.0 46.3 16.7 35.9 14 15 A A H X S+ 0 0 13 -4,-2.2 4,-2.4 1,-0.2 -2,-0.2 0.860 107.1 53.6 -65.1 -36.5 42.9 17.7 37.4 15 16 A V H X S+ 0 0 0 -4,-2.8 4,-2.4 2,-0.2 -1,-0.2 0.926 107.1 50.9 -65.0 -43.9 41.2 16.1 34.4 16 17 A N H X S+ 0 0 20 -4,-1.8 4,-1.9 -5,-0.2 -2,-0.2 0.916 111.2 48.6 -58.1 -40.7 43.0 12.8 35.0 17 18 A R H X S+ 0 0 149 -4,-2.1 4,-2.3 1,-0.2 -2,-0.2 0.902 109.4 52.2 -66.1 -39.6 41.9 12.9 38.7 18 19 A L H X S+ 0 0 4 -4,-2.4 4,-2.5 2,-0.2 -2,-0.2 0.885 105.8 54.4 -65.9 -37.5 38.3 13.6 37.7 19 20 A V H X S+ 0 0 3 -4,-2.4 4,-2.6 2,-0.2 5,-0.2 0.933 108.6 49.9 -57.1 -46.5 38.4 10.6 35.3 20 21 A N H X S+ 0 0 35 -4,-1.9 4,-2.8 1,-0.2 -2,-0.2 0.926 110.1 50.1 -59.7 -43.5 39.5 8.5 38.3 21 22 A L H X S+ 0 0 74 -4,-2.3 4,-2.2 1,-0.2 -1,-0.2 0.896 111.8 47.5 -63.6 -41.1 36.6 9.9 40.5 22 23 A Y H X S+ 0 0 4 -4,-2.5 4,-2.4 2,-0.2 -1,-0.2 0.898 112.9 48.2 -67.2 -40.8 34.0 9.2 37.8 23 24 A L H X S+ 0 0 40 -4,-2.6 4,-2.4 2,-0.2 -2,-0.2 0.903 111.3 50.6 -66.4 -39.3 35.3 5.6 37.3 24 25 A R H X S+ 0 0 87 -4,-2.8 4,-2.4 -5,-0.2 -2,-0.2 0.906 109.5 51.2 -63.3 -40.2 35.3 5.1 41.1 25 26 A A H X S+ 0 0 0 -4,-2.2 4,-2.5 2,-0.2 -2,-0.2 0.930 108.7 51.6 -59.9 -45.9 31.7 6.4 41.2 26 27 A S H X S+ 0 0 21 -4,-2.4 4,-2.0 1,-0.2 -2,-0.2 0.926 110.0 49.2 -54.6 -45.7 30.8 3.9 38.4 27 28 A Y H X S+ 0 0 102 -4,-2.4 4,-2.1 2,-0.2 -1,-0.2 0.890 108.5 52.9 -63.3 -41.8 32.4 1.1 40.4 28 29 A T H X S+ 0 0 12 -4,-2.4 4,-2.6 1,-0.2 -1,-0.2 0.929 109.7 49.0 -60.4 -43.0 30.5 2.1 43.5 29 30 A Y H X S+ 0 0 0 -4,-2.5 4,-2.8 1,-0.2 -2,-0.2 0.851 106.5 55.9 -67.6 -32.2 27.2 2.0 41.5 30 31 A L H X S+ 0 0 83 -4,-2.0 4,-2.3 2,-0.2 -1,-0.2 0.930 110.9 45.2 -60.3 -45.3 28.1 -1.5 40.2 31 32 A S H X S+ 0 0 34 -4,-2.1 4,-1.9 2,-0.2 -2,-0.2 0.916 112.6 50.5 -66.0 -43.6 28.5 -2.6 43.8 32 33 A L H X S+ 0 0 0 -4,-2.6 4,-1.8 2,-0.2 -2,-0.2 0.944 110.8 50.4 -57.3 -48.3 25.2 -0.9 44.8 33 34 A G H X S+ 0 0 4 -4,-2.8 4,-0.8 1,-0.2 3,-0.2 0.938 111.1 45.5 -58.9 -51.8 23.3 -2.5 41.9 34 35 A F H < S+ 0 0 137 -4,-2.3 3,-0.4 1,-0.2 4,-0.3 0.820 106.7 60.6 -67.8 -25.8 24.5 -6.1 42.6 35 36 A Y H >< S+ 0 0 31 -4,-1.9 3,-1.5 1,-0.2 7,-0.3 0.936 105.0 48.0 -61.3 -46.9 23.8 -5.7 46.3 36 37 A F H 3< S+ 0 0 0 -4,-1.8 7,-2.4 1,-0.3 11,-0.3 0.626 104.4 62.0 -71.6 -9.5 20.1 -5.0 45.5 37 38 A D T 3< S+ 0 0 100 -4,-0.8 -1,-0.3 -3,-0.4 -2,-0.2 0.467 77.7 117.0 -89.1 -7.9 20.1 -8.1 43.2 38 39 A R S X> S- 0 0 77 -3,-1.5 4,-2.5 -4,-0.3 3,-2.0 -0.352 75.2-126.2 -59.8 140.9 20.9 -10.4 46.2 39 40 A D T 34 S+ 0 0 153 1,-0.3 -1,-0.1 2,-0.2 -3,-0.0 0.764 112.4 53.1 -61.3 -24.6 18.2 -12.9 46.9 40 41 A D T 34 S+ 0 0 103 1,-0.0 -1,-0.3 0, 0.0 -2,-0.1 0.255 121.0 31.0 -93.3 8.9 18.0 -11.6 50.5 41 42 A V T <4 S+ 0 0 33 -3,-2.0 -2,-0.2 -5,-0.1 -5,-0.1 0.540 79.7 172.0-123.9 -62.8 17.6 -8.0 49.3 42 43 A A < + 0 0 64 -4,-2.5 2,-0.5 -7,-0.3 -5,-0.2 0.899 15.7 145.2 58.4 56.8 15.7 -8.5 46.0 43 44 A L >> - 0 0 16 -7,-2.4 4,-2.3 1,-0.1 3,-0.7 -0.801 21.3-178.6-123.1 89.5 14.7 -4.9 45.0 44 45 A E H 3> S+ 0 0 72 -2,-0.5 4,-3.1 1,-0.3 5,-0.2 0.881 79.0 54.6 -60.8 -41.9 15.0 -5.0 41.2 45 46 A G H 3> S+ 0 0 1 1,-0.2 4,-2.1 2,-0.2 126,-0.3 0.854 109.8 48.8 -60.1 -35.0 14.0 -1.4 40.6 46 47 A V H <> S+ 0 0 0 -3,-0.7 4,-2.2 2,-0.2 5,-0.2 0.924 110.5 49.9 -72.0 -45.2 16.8 -0.3 42.9 47 48 A C H X S+ 0 0 17 -4,-2.3 4,-2.7 -11,-0.3 -2,-0.2 0.943 112.3 48.9 -52.9 -48.8 19.3 -2.6 41.1 48 49 A H H X S+ 0 0 37 -4,-3.1 4,-2.3 1,-0.2 -2,-0.2 0.908 108.3 54.2 -60.5 -42.0 18.1 -1.1 37.8 49 50 A F H X S+ 0 0 18 -4,-2.1 4,-1.6 1,-0.2 -1,-0.2 0.934 114.2 39.5 -57.8 -49.6 18.5 2.5 39.1 50 51 A F H X S+ 0 0 0 -4,-2.2 4,-2.5 2,-0.2 -1,-0.2 0.854 110.5 58.4 -74.4 -33.6 22.1 2.0 40.2 51 52 A R H X S+ 0 0 148 -4,-2.7 4,-1.7 -5,-0.2 -1,-0.2 0.917 107.1 49.0 -59.3 -42.9 23.0 -0.1 37.1 52 53 A E H X S+ 0 0 82 -4,-2.3 4,-2.5 1,-0.2 -1,-0.2 0.909 110.2 51.1 -64.3 -40.0 22.0 2.9 34.9 53 54 A L H X S+ 0 0 4 -4,-1.6 4,-2.7 1,-0.2 5,-0.3 0.885 104.2 57.0 -66.2 -37.2 24.0 5.3 37.1 54 55 A A H X S+ 0 0 12 -4,-2.5 4,-2.0 1,-0.2 -1,-0.2 0.933 109.7 46.0 -56.5 -44.2 27.1 3.0 36.7 55 56 A E H X S+ 0 0 81 -4,-1.7 4,-2.6 2,-0.2 -2,-0.2 0.931 111.3 52.1 -63.2 -46.8 26.8 3.4 33.0 56 57 A E H X S+ 0 0 74 -4,-2.5 4,-2.1 1,-0.2 -2,-0.2 0.894 110.3 47.5 -57.7 -43.1 26.3 7.2 33.2 57 58 A K H X S+ 0 0 7 -4,-2.7 4,-2.3 2,-0.2 -1,-0.2 0.898 111.5 50.4 -68.9 -38.9 29.4 7.6 35.4 58 59 A R H X S+ 0 0 95 -4,-2.0 4,-2.4 -5,-0.3 -2,-0.2 0.919 109.4 51.5 -62.5 -42.5 31.5 5.5 33.0 59 60 A E H X S+ 0 0 82 -4,-2.6 4,-2.3 2,-0.2 -2,-0.2 0.891 108.1 52.7 -60.8 -39.5 30.2 7.6 30.1 60 61 A G H X S+ 0 0 10 -4,-2.1 4,-2.2 2,-0.2 -1,-0.2 0.929 109.2 48.9 -60.6 -47.8 31.3 10.7 31.9 61 62 A A H X S+ 0 0 0 -4,-2.3 4,-2.2 1,-0.2 -2,-0.2 0.913 110.9 50.6 -57.0 -43.6 34.8 9.3 32.4 62 63 A E H X S+ 0 0 90 -4,-2.4 4,-2.4 2,-0.2 -2,-0.2 0.879 108.5 51.3 -65.7 -38.0 34.9 8.4 28.7 63 64 A R H X S+ 0 0 116 -4,-2.3 4,-2.3 2,-0.2 -1,-0.2 0.908 110.1 50.2 -64.6 -41.1 33.9 11.9 27.7 64 65 A L H X S+ 0 0 0 -4,-2.2 4,-2.5 2,-0.2 -2,-0.2 0.898 110.4 49.4 -61.5 -42.1 36.6 13.4 29.9 65 66 A L H X S+ 0 0 32 -4,-2.2 4,-2.0 2,-0.2 -2,-0.2 0.901 109.4 51.6 -65.6 -42.1 39.2 11.1 28.4 66 67 A K H X S+ 0 0 139 -4,-2.4 4,-2.3 1,-0.2 -2,-0.2 0.921 111.6 48.0 -58.0 -43.5 38.0 12.1 24.8 67 68 A M H X S+ 0 0 0 -4,-2.3 4,-2.2 2,-0.2 6,-0.2 0.896 105.0 58.7 -66.2 -42.0 38.4 15.7 25.8 68 69 A Q H X>S+ 0 0 0 -4,-2.5 5,-2.3 1,-0.2 4,-0.6 0.941 112.1 41.0 -50.3 -50.9 41.9 15.1 27.3 69 70 A N H ><5S+ 0 0 108 -4,-2.0 3,-0.8 1,-0.2 -1,-0.2 0.871 109.1 59.2 -68.1 -36.4 43.0 13.8 23.9 70 71 A Q H 3<5S+ 0 0 109 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.865 110.5 43.7 -58.6 -34.9 41.2 16.6 22.0 71 72 A R H 3<5S- 0 0 26 -4,-2.2 -66,-0.4 -3,-0.2 -1,-0.2 0.549 119.5-109.6 -88.6 -8.3 43.2 19.2 24.0 72 73 A G T <<5 0 0 29 -3,-0.8 -3,-0.2 -4,-0.6 -68,-0.2 0.603 360.0 360.0 86.7 11.3 46.5 17.3 23.5 73 74 A G < 0 0 18 -5,-2.3 -1,-0.3 -6,-0.2 -64,-0.0 -0.332 360.0 360.0 -77.1 360.0 46.8 16.2 27.2 74 ! 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 75 76 A A 0 0 47 0, 0.0 2,-0.4 0, 0.0 -62,-0.1 0.000 360.0 360.0 360.0 131.3 45.5 10.4 29.9 76 77 A L - 0 0 119 -63,-0.1 2,-0.3 2,-0.0 0, 0.0 -0.999 360.0-151.7-131.3 131.2 47.0 8.7 32.9 77 78 A F - 0 0 132 -2,-0.4 2,-0.3 -58,-0.1 -60,-0.1 -0.784 10.3-172.5-106.4 143.3 45.2 6.1 34.9 78 79 A Q - 0 0 142 -2,-0.3 -2,-0.0 -62,-0.2 0, 0.0 -0.764 42.7 -66.6-119.7 171.4 45.5 5.2 38.6 79 80 A D - 0 0 122 -2,-0.3 2,-0.8 1,-0.1 -1,-0.1 -0.217 43.6-128.7 -51.0 146.5 44.1 2.4 40.7 80 81 A L - 0 0 69 -57,-0.1 -1,-0.1 -3,-0.1 2,-0.1 -0.903 26.7-135.8 -97.2 110.7 40.3 2.4 41.2 81 82 A Q - 0 0 111 -2,-0.8 3,-0.1 1,-0.1 -54,-0.1 -0.409 25.0-104.3 -66.4 139.5 39.8 2.1 44.9 82 83 A K - 0 0 138 1,-0.1 -1,-0.1 -2,-0.1 -54,-0.1 -0.221 50.1 -83.5 -57.3 152.7 37.1 -0.4 45.9 83 84 A P - 0 0 15 0, 0.0 -1,-0.1 0, 0.0 -58,-0.0 -0.180 39.7-110.0 -60.5 159.6 33.8 1.1 47.0 84 85 A S S S+ 0 0 93 -3,-0.1 2,-0.3 2,-0.1 -2,-0.1 0.641 96.7 34.8 -71.2 -17.2 33.5 2.3 50.6 85 86 A Q - 0 0 86 1,-0.1 3,-0.1 -57,-0.0 -54,-0.0 -0.950 53.4-157.3-134.9 153.7 31.1 -0.5 51.7 86 87 A D S S+ 0 0 128 -2,-0.3 2,-0.4 1,-0.3 -1,-0.1 0.658 92.8 35.4 -95.8 -26.8 30.5 -4.2 50.9 87 88 A E - 0 0 118 1,-0.0 -1,-0.3 -52,-0.0 -55,-0.1 -0.980 68.4-159.1-129.4 142.6 26.9 -4.1 52.0 88 89 A W - 0 0 4 -2,-0.4 9,-0.1 1,-0.3 2,-0.1 0.304 22.1-146.3-115.4 9.5 24.6 -1.1 51.5 89 90 A G - 0 0 30 4,-0.1 -1,-0.3 5,-0.1 2,-0.1 -0.387 53.0 -7.9 71.2-138.1 21.8 -1.5 54.0 90 91 A T S > S- 0 0 56 -2,-0.1 4,-2.4 1,-0.1 5,-0.2 -0.399 76.1 -95.1 -92.3 169.8 18.3 -0.3 53.2 91 92 A T H > S+ 0 0 0 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.922 126.0 48.5 -52.3 -48.5 17.0 1.7 50.2 92 93 A P H > S+ 0 0 14 0, 0.0 4,-2.4 0, 0.0 -1,-0.2 0.892 110.0 52.8 -60.9 -36.7 17.3 5.0 52.2 93 94 A D H > S+ 0 0 81 2,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.926 112.5 44.9 -60.1 -45.4 20.8 4.1 53.3 94 95 A A H X S+ 0 0 0 -4,-2.4 4,-2.3 2,-0.2 -1,-0.2 0.911 112.0 50.6 -67.4 -43.0 21.8 3.5 49.6 95 96 A M H X S+ 0 0 0 -4,-2.8 4,-2.2 2,-0.2 -1,-0.2 0.882 110.4 50.5 -63.3 -37.6 20.1 6.6 48.3 96 97 A K H X S+ 0 0 92 -4,-2.4 4,-2.5 2,-0.2 -2,-0.2 0.924 109.6 50.4 -63.0 -45.5 21.9 8.7 51.0 97 98 A A H X S+ 0 0 26 -4,-2.2 4,-2.4 1,-0.2 -2,-0.2 0.902 110.3 51.4 -58.0 -41.1 25.2 7.1 49.9 98 99 A A H X S+ 0 0 0 -4,-2.3 4,-2.9 2,-0.2 -1,-0.2 0.905 108.9 48.8 -63.6 -44.3 24.4 8.0 46.3 99 100 A I H X S+ 0 0 21 -4,-2.2 4,-2.7 2,-0.2 5,-0.2 0.919 110.9 50.9 -63.0 -43.4 23.7 11.6 47.1 100 101 A V H X S+ 0 0 103 -4,-2.5 4,-1.9 2,-0.2 -2,-0.2 0.930 112.1 48.3 -57.9 -45.9 27.0 11.9 49.1 101 102 A L H X S+ 0 0 29 -4,-2.4 4,-1.9 1,-0.2 -2,-0.2 0.943 112.4 46.8 -61.4 -47.7 28.8 10.4 46.1 102 103 A E H X S+ 0 0 0 -4,-2.9 4,-3.0 1,-0.2 -2,-0.2 0.889 109.8 53.5 -65.0 -38.2 27.1 12.8 43.6 103 104 A K H X S+ 0 0 128 -4,-2.7 4,-2.7 1,-0.2 -1,-0.2 0.865 107.8 52.0 -62.4 -36.4 27.8 15.9 45.7 104 105 A S H X S+ 0 0 62 -4,-1.9 4,-1.9 -5,-0.2 -1,-0.2 0.897 111.1 46.3 -68.6 -38.4 31.5 14.9 45.9 105 106 A L H X S+ 0 0 2 -4,-1.9 4,-2.4 2,-0.2 -2,-0.2 0.923 112.5 51.2 -65.9 -43.4 31.6 14.6 42.0 106 107 A N H X S+ 0 0 32 -4,-3.0 4,-2.5 1,-0.2 -2,-0.2 0.921 108.6 50.4 -60.6 -43.5 29.8 17.9 41.8 107 108 A Q H X S+ 0 0 100 -4,-2.7 4,-2.6 1,-0.2 -1,-0.2 0.901 109.3 51.9 -61.5 -40.1 32.3 19.6 44.1 108 109 A A H X S+ 0 0 19 -4,-1.9 4,-2.2 2,-0.2 -1,-0.2 0.883 109.3 50.2 -62.9 -39.1 35.1 18.2 42.0 109 110 A L H X S+ 0 0 0 -4,-2.4 4,-2.4 2,-0.2 -2,-0.2 0.926 111.4 48.4 -61.5 -44.4 33.5 19.7 38.9 110 111 A L H X S+ 0 0 66 -4,-2.5 4,-2.3 1,-0.2 -2,-0.2 0.887 110.4 51.1 -64.5 -39.8 33.2 23.0 40.6 111 112 A D H X S+ 0 0 93 -4,-2.6 4,-2.1 2,-0.2 -1,-0.2 0.903 110.4 48.9 -63.5 -41.1 36.8 22.8 41.7 112 113 A L H X S+ 0 0 7 -4,-2.2 4,-2.9 2,-0.2 -2,-0.2 0.894 109.1 53.9 -66.7 -38.1 37.9 22.1 38.1 113 114 A H H X S+ 0 0 74 -4,-2.4 4,-3.0 2,-0.2 -2,-0.2 0.925 107.7 50.1 -55.2 -48.8 35.7 25.1 37.0 114 115 A A H X S+ 0 0 53 -4,-2.3 4,-2.3 1,-0.2 -2,-0.2 0.897 112.1 47.5 -60.1 -41.8 37.5 27.3 39.4 115 116 A L H X S+ 0 0 46 -4,-2.1 4,-2.2 2,-0.2 -2,-0.2 0.921 111.6 50.4 -65.1 -46.1 40.9 26.1 38.1 116 117 A G H X>S+ 0 0 0 -4,-2.9 5,-2.1 2,-0.2 4,-0.5 0.925 111.5 48.0 -55.0 -48.6 39.8 26.6 34.5 117 118 A S H ><5S+ 0 0 77 -4,-3.0 3,-1.0 1,-0.2 -1,-0.2 0.910 111.7 50.2 -61.1 -43.0 38.6 30.1 35.3 118 119 A A H 3<5S+ 0 0 81 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.847 114.8 44.1 -61.8 -35.9 42.0 30.8 37.0 119 120 A Q H 3<5S- 0 0 72 -4,-2.2 -1,-0.2 -5,-0.1 -2,-0.2 0.419 111.3-122.2 -90.4 0.7 43.9 29.4 34.0 120 121 A A T <<5 + 0 0 67 -3,-1.0 -3,-0.2 -4,-0.5 -2,-0.1 0.958 58.0 152.0 52.0 58.3 41.6 31.3 31.5 121 122 A D >< + 0 0 3 -5,-2.1 4,-1.8 1,-0.1 3,-0.4 -0.754 15.5 171.4-118.0 78.8 40.6 28.1 29.7 122 123 A P H > S+ 0 0 92 0, 0.0 4,-2.7 0, 0.0 5,-0.2 0.781 75.1 61.5 -67.2 -24.6 37.1 28.8 28.3 123 124 A H H > S+ 0 0 83 2,-0.2 4,-2.4 1,-0.2 5,-0.1 0.932 106.3 47.2 -64.8 -43.5 37.0 25.6 26.3 124 125 A L H > S+ 0 0 0 -3,-0.4 4,-2.4 2,-0.2 5,-0.2 0.934 112.3 48.8 -59.8 -48.4 37.3 23.6 29.6 125 126 A C H X S+ 0 0 17 -4,-1.8 4,-2.6 1,-0.2 -2,-0.2 0.925 111.9 48.7 -58.4 -45.9 34.6 25.7 31.2 126 127 A D H X S+ 0 0 93 -4,-2.7 4,-2.7 1,-0.2 5,-0.2 0.905 110.7 52.5 -57.7 -44.3 32.2 25.3 28.2 127 128 A F H X S+ 0 0 11 -4,-2.4 4,-2.0 2,-0.2 5,-0.3 0.922 112.1 43.5 -59.0 -48.5 32.9 21.5 28.3 128 129 A L H X>S+ 0 0 1 -4,-2.4 5,-2.5 1,-0.2 4,-2.1 0.915 116.0 48.5 -66.0 -41.5 32.0 21.2 32.0 129 130 A E H <>S+ 0 0 104 -4,-2.6 5,-0.7 -5,-0.2 -2,-0.2 0.902 115.8 43.3 -65.1 -41.2 29.0 23.5 31.6 130 131 A S H <5S+ 0 0 58 -4,-2.7 -1,-0.2 -5,-0.2 -2,-0.2 0.776 129.5 20.4 -77.9 -32.3 27.6 21.6 28.6 131 132 A H H <5S+ 0 0 69 -4,-2.0 -2,-0.2 -5,-0.2 -3,-0.2 0.575 131.6 19.9-117.0 -11.5 28.1 18.0 29.6 132 133 A F T X5S+ 0 0 6 -4,-2.1 4,-2.5 -5,-0.3 5,-0.2 0.733 102.5 62.5-129.4 -50.4 28.5 17.9 33.4 133 134 A L H > S+ 0 0 76 2,-0.2 4,-2.4 1,-0.2 -2,-0.2 0.933 109.3 45.2 -58.1 -45.4 23.5 16.7 34.5 136 137 A E H X S+ 0 0 4 -4,-2.5 4,-2.7 2,-0.2 5,-0.3 0.929 112.4 50.4 -63.1 -47.3 24.8 16.6 38.2 137 138 A V H X S+ 0 0 83 -4,-2.1 4,-2.2 -5,-0.2 -2,-0.2 0.943 112.9 46.8 -58.4 -45.4 22.2 19.2 39.3 138 139 A K H X S+ 0 0 119 -4,-2.9 4,-2.2 1,-0.2 -1,-0.2 0.922 113.6 48.2 -61.4 -44.5 19.4 17.2 37.7 139 140 A L H X S+ 0 0 17 -4,-2.4 4,-2.8 -5,-0.2 -1,-0.2 0.914 111.0 49.3 -64.0 -44.1 20.6 13.9 39.1 140 141 A I H X S+ 0 0 32 -4,-2.7 4,-2.6 1,-0.2 -1,-0.2 0.889 109.6 52.6 -64.8 -37.0 20.9 15.3 42.6 141 142 A K H X S+ 0 0 125 -4,-2.2 4,-2.5 -5,-0.3 -1,-0.2 0.931 110.3 48.1 -62.6 -44.7 17.4 16.7 42.4 142 143 A K H X S+ 0 0 103 -4,-2.2 4,-2.8 1,-0.2 -2,-0.2 0.927 112.1 49.4 -61.0 -47.2 16.1 13.3 41.4 143 144 A M H X S+ 0 0 0 -4,-2.8 4,-3.0 2,-0.2 -1,-0.2 0.895 110.4 49.9 -58.6 -42.6 18.0 11.7 44.2 144 145 A G H X S+ 0 0 28 -4,-2.6 4,-2.5 2,-0.2 -2,-0.2 0.926 111.1 49.5 -61.5 -45.1 16.6 14.2 46.8 145 146 A D H X S+ 0 0 63 -4,-2.5 4,-2.1 2,-0.2 -2,-0.2 0.921 112.8 48.4 -58.7 -46.1 13.1 13.6 45.5 146 147 A H H X S+ 0 0 21 -4,-2.8 4,-2.9 1,-0.2 5,-0.2 0.944 109.8 50.5 -60.8 -49.1 13.7 9.9 45.8 147 148 A L H X S+ 0 0 22 -4,-3.0 4,-2.9 1,-0.2 5,-0.2 0.905 109.4 51.7 -57.0 -42.2 15.1 10.2 49.3 148 149 A T H X S+ 0 0 69 -4,-2.5 4,-2.2 1,-0.2 -1,-0.2 0.921 112.6 45.8 -61.3 -42.4 12.1 12.3 50.4 149 150 A N H X S+ 0 0 59 -4,-2.1 4,-1.8 2,-0.2 -2,-0.2 0.917 113.6 47.4 -69.1 -41.4 9.7 9.7 49.1 150 151 A I H X S+ 0 0 0 -4,-2.9 4,-2.8 2,-0.2 5,-0.3 0.935 112.6 49.9 -65.4 -43.4 11.5 6.7 50.6 151 152 A Q H X S+ 0 0 83 -4,-2.9 4,-1.4 1,-0.2 -1,-0.2 0.892 109.5 51.3 -61.8 -40.4 11.7 8.5 54.0 152 153 A R H < S+ 0 0 152 -4,-2.2 4,-0.4 -5,-0.2 -1,-0.2 0.876 115.6 43.6 -62.1 -36.9 8.0 9.3 53.9 153 154 A L H X S+ 0 0 49 -4,-1.8 4,-1.7 2,-0.2 8,-0.3 0.852 113.0 46.6 -79.8 -38.5 7.3 5.6 53.2 154 155 A V H < S+ 0 0 37 -4,-2.8 4,-0.4 1,-0.2 -1,-0.2 0.668 105.6 60.9 -82.9 -17.0 9.7 3.9 55.6 155 156 A G T < S+ 0 0 69 -4,-1.4 -1,-0.2 -5,-0.3 -2,-0.2 0.688 105.0 49.7 -76.6 -23.1 8.6 6.1 58.5 156 157 A S T 4 S- 0 0 102 -4,-0.4 -2,-0.2 -3,-0.3 2,-0.2 0.939 144.3 -36.0 -75.0 -56.1 5.1 4.7 58.0 157 158 A Q X - 0 0 127 -4,-1.7 4,-2.5 1,-0.1 -1,-0.2 -0.688 59.6-137.0-171.6 130.6 6.4 1.2 58.0 158 159 A A H > S+ 0 0 56 -4,-0.4 4,-2.6 1,-0.2 5,-0.2 0.835 92.8 41.8 -65.3 -54.2 9.7 0.1 56.6 159 160 A G H > S+ 0 0 55 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.949 119.9 44.2 -58.2 -52.7 9.3 -3.2 54.7 160 161 A L H > S+ 0 0 91 1,-0.2 4,-2.6 2,-0.2 -2,-0.2 0.896 114.0 51.5 -57.2 -45.9 6.0 -2.2 53.1 161 162 A G H X S+ 0 0 2 -4,-2.5 4,-2.3 -8,-0.3 -2,-0.2 0.913 108.3 49.9 -62.4 -45.3 7.4 1.2 52.2 162 163 A E H X S+ 0 0 40 -4,-2.6 4,-2.0 1,-0.2 -1,-0.2 0.894 112.3 48.6 -60.8 -42.9 10.6 -0.1 50.6 163 164 A Y H X S+ 0 0 132 -4,-2.1 4,-2.4 -5,-0.2 -2,-0.2 0.948 111.3 49.0 -60.2 -49.7 8.5 -2.5 48.5 164 165 A L H X S+ 0 0 60 -4,-2.6 4,-2.9 1,-0.2 5,-0.4 0.883 110.5 50.3 -63.1 -38.0 6.0 0.2 47.4 165 166 A F H X>S+ 0 0 2 -4,-2.3 4,-2.2 1,-0.2 5,-1.7 0.930 112.1 47.2 -65.7 -45.0 8.8 2.6 46.4 166 167 A E H <5S+ 0 0 4 -4,-2.0 -2,-0.2 -5,-0.2 -1,-0.2 0.888 119.0 41.4 -63.0 -36.9 10.6 0.0 44.3 167 168 A R H <5S+ 0 0 75 -4,-2.4 -2,-0.2 -5,-0.2 -1,-0.2 0.881 125.9 29.1 -76.4 -40.9 7.3 -1.0 42.6 168 169 A L H <5S+ 0 0 139 -4,-2.9 -3,-0.2 -5,-0.2 -2,-0.2 0.675 129.6 28.4-104.9 -20.7 5.7 2.4 42.0 169 170 A T T <5S+ 0 0 67 -4,-2.2 -3,-0.2 -5,-0.4 -4,-0.1 0.803 106.4 68.7-102.2 -47.6 8.5 4.9 41.6 170 171 A L S