==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-FEB-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 16-JUN-11 3SH6 . COMPND 2 MOLECULE: FERRITIN, MIDDLE SUBUNIT; . SOURCE 2 ORGANISM_SCIENTIFIC: RANA CATESBEIANA; . AUTHOR T.TOSHA,H.L.NG,T.ALBER,E.C.THEIL . 174 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9563.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 131 75.3 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 . 6 3.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 115 66.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 3.4 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 2 0 0 0 0 0 0 0 0 0 1 0 0 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 1 A V 0 0 170 0, 0.0 2,-0.1 0, 0.0 73,-0.1 0.000 360.0 360.0 360.0 159.9 111.0 146.1 68.0 2 2 A S > - 0 0 24 71,-0.4 3,-1.1 1,-0.1 72,-0.0 -0.413 360.0-127.1 -60.5 141.6 109.6 143.3 70.1 3 3 A Q T 3 S+ 0 0 194 1,-0.3 -1,-0.1 -2,-0.1 70,-0.0 0.667 109.2 50.5 -65.0 -19.4 111.4 142.8 73.4 4 4 A V T 3 S+ 0 0 80 69,-0.1 -1,-0.3 2,-0.0 2,-0.1 0.634 82.0 116.0 -89.5 -19.6 111.9 139.2 72.6 5 5 A R < + 0 0 61 -3,-1.1 2,-0.3 68,-0.2 68,-0.1 -0.336 31.7 153.6 -62.9 129.4 113.4 139.6 69.2 6 6 A Q - 0 0 157 66,-0.4 3,-0.1 -2,-0.1 -3,-0.0 -0.913 67.1 -6.8-156.1 127.1 117.1 138.5 68.8 7 7 A N S S+ 0 0 82 -2,-0.3 2,-0.5 1,-0.2 -2,-0.0 0.919 90.7 136.6 58.4 39.3 118.9 137.3 65.7 8 8 A Y - 0 0 10 64,-0.0 -1,-0.2 65,-0.0 114,-0.0 -0.842 46.0-143.3-131.4 97.8 115.7 137.4 63.6 9 9 A H > - 0 0 58 -2,-0.5 4,-2.2 1,-0.1 5,-0.2 -0.162 15.6-132.4 -44.3 132.9 116.0 138.8 60.1 10 10 A S H > S+ 0 0 79 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.868 116.4 56.4 -46.2 -40.4 113.0 141.0 58.5 11 11 A D H > S+ 0 0 77 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.896 106.9 45.7 -61.9 -40.8 113.7 138.7 55.6 12 12 A C H > S+ 0 0 0 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.918 110.6 53.1 -68.5 -44.4 113.1 135.6 57.9 13 13 A E H X S+ 0 0 30 -4,-2.2 4,-1.9 1,-0.2 -2,-0.2 0.931 111.7 45.4 -56.3 -45.9 110.0 137.0 59.4 14 14 A A H X S+ 0 0 41 -4,-2.5 4,-2.0 1,-0.2 -1,-0.2 0.900 111.5 52.4 -67.6 -41.6 108.5 137.7 55.9 15 15 A A H X S+ 0 0 5 -4,-2.0 4,-2.4 -5,-0.2 -1,-0.2 0.893 106.5 53.5 -63.7 -36.3 109.5 134.3 54.6 16 16 A V H X S+ 0 0 0 -4,-2.5 4,-2.3 1,-0.2 -1,-0.2 0.920 108.4 50.7 -65.3 -42.8 107.8 132.6 57.7 17 17 A N H X S+ 0 0 21 -4,-1.9 4,-2.1 2,-0.2 -1,-0.2 0.891 109.9 49.5 -56.2 -43.9 104.6 134.5 56.8 18 18 A R H X S+ 0 0 160 -4,-2.0 4,-2.3 2,-0.2 -2,-0.2 0.929 111.3 49.1 -64.8 -40.4 104.9 133.3 53.2 19 19 A M H X S+ 0 0 6 -4,-2.4 4,-2.6 2,-0.2 -2,-0.2 0.894 106.7 55.2 -65.3 -37.0 105.3 129.7 54.3 20 20 A L H X S+ 0 0 2 -4,-2.3 4,-2.1 1,-0.2 -1,-0.2 0.959 110.9 46.6 -60.2 -46.5 102.3 130.0 56.7 21 21 A N H X S+ 0 0 39 -4,-2.1 4,-2.5 1,-0.2 -1,-0.2 0.886 109.9 52.2 -62.9 -45.2 100.2 131.0 53.7 22 22 A L H X S+ 0 0 35 -4,-2.3 4,-2.9 2,-0.2 -1,-0.2 0.887 108.8 51.2 -60.6 -37.8 101.6 128.2 51.5 23 23 A E H X S+ 0 0 1 -4,-2.6 4,-2.5 2,-0.2 -1,-0.2 0.908 110.2 48.6 -66.6 -39.4 100.7 125.7 54.2 24 24 A L H X S+ 0 0 12 -4,-2.1 4,-2.1 2,-0.2 -2,-0.2 0.912 112.0 50.4 -62.6 -42.9 97.2 127.0 54.4 25 25 A Y H X S+ 0 0 63 -4,-2.5 4,-2.2 2,-0.2 -2,-0.2 0.927 110.6 48.4 -57.9 -47.7 97.0 126.8 50.6 26 26 A A H X S+ 0 0 0 -4,-2.9 4,-2.4 1,-0.2 -2,-0.2 0.920 110.0 52.5 -61.6 -43.9 98.2 123.3 50.6 27 27 A S H X S+ 0 0 11 -4,-2.5 4,-1.9 1,-0.2 -1,-0.2 0.915 108.9 50.0 -53.7 -43.6 95.7 122.3 53.3 28 28 A Y H X S+ 0 0 119 -4,-2.1 4,-1.9 2,-0.2 -1,-0.2 0.901 108.4 52.7 -68.5 -40.1 92.9 123.8 51.2 29 29 A T H X S+ 0 0 7 -4,-2.2 4,-1.9 1,-0.2 -1,-0.2 0.917 109.2 49.3 -56.8 -49.4 94.0 121.9 48.0 30 30 A Y H X S+ 0 0 0 -4,-2.4 4,-2.4 1,-0.2 -1,-0.2 0.884 107.1 55.3 -63.2 -34.8 93.9 118.7 50.0 31 31 A S H X S+ 0 0 41 -4,-1.9 4,-2.5 1,-0.2 -1,-0.2 0.886 106.2 52.3 -60.9 -41.4 90.4 119.5 51.3 32 32 A S H X S+ 0 0 28 -4,-1.9 4,-2.1 2,-0.2 -1,-0.2 0.884 107.9 50.3 -61.7 -40.2 89.3 119.9 47.8 33 33 A M H X S+ 0 0 0 -4,-1.9 4,-2.3 2,-0.2 -2,-0.2 0.925 108.9 52.6 -62.7 -43.6 90.6 116.5 46.9 34 34 A Y H X S+ 0 0 59 -4,-2.4 4,-1.4 1,-0.2 -2,-0.2 0.955 110.1 48.1 -51.4 -53.4 88.8 115.0 50.0 35 35 A A H < S+ 0 0 51 -4,-2.5 4,-0.4 1,-0.2 -1,-0.2 0.865 110.6 52.1 -61.4 -37.5 85.5 116.5 48.7 36 36 A F H >< S+ 0 0 10 -4,-2.1 3,-1.5 1,-0.2 7,-0.3 0.936 110.2 46.2 -61.0 -52.5 86.1 115.2 45.2 37 37 A F H 3< S+ 0 0 0 -4,-2.3 7,-2.2 1,-0.3 11,-0.2 0.705 107.7 59.1 -68.0 -20.1 86.7 111.6 46.3 38 38 A D T 3< S+ 0 0 71 -4,-1.4 -1,-0.3 -5,-0.2 -2,-0.2 0.515 80.8 115.1 -81.3 -8.3 83.7 111.8 48.6 39 39 A R S X> S- 0 0 104 -3,-1.5 4,-2.1 -4,-0.4 3,-1.8 -0.296 76.8-122.7 -62.4 151.0 81.3 112.6 45.6 40 40 A D T 34 S+ 0 0 153 1,-0.3 -1,-0.1 2,-0.2 -3,-0.0 0.734 113.7 51.8 -64.8 -23.9 78.7 110.0 44.8 41 41 A D T 34 S+ 0 0 99 1,-0.0 -1,-0.3 0, 0.0 -2,-0.1 0.230 120.8 32.1 -97.6 12.9 80.1 109.7 41.3 42 42 A V T <4 S+ 0 0 35 -3,-1.8 -2,-0.2 -5,-0.1 -5,-0.1 0.529 77.8 171.9-125.4 -67.6 83.7 109.2 42.5 43 43 A A < + 0 0 47 -4,-2.1 2,-0.5 -7,-0.3 -5,-0.2 0.905 19.2 141.4 62.0 55.4 83.2 107.3 45.8 44 44 A L > + 0 0 16 -7,-2.2 4,-2.5 1,-0.1 -1,-0.2 -0.812 23.3 177.0-123.5 86.6 86.7 106.3 46.8 45 45 A H H > S+ 0 0 88 -2,-0.5 4,-2.2 1,-0.2 -1,-0.1 0.794 72.4 50.7 -74.2 -30.2 86.3 106.9 50.5 46 46 A N H > S+ 0 0 5 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.895 112.2 48.7 -72.8 -37.8 89.7 105.8 51.8 47 47 A V H > S+ 0 0 0 2,-0.2 4,-1.9 1,-0.2 -2,-0.2 0.926 110.3 53.2 -56.4 -49.4 91.4 107.9 49.2 48 48 A A H X S+ 0 0 0 -4,-2.5 4,-2.1 -11,-0.2 -2,-0.2 0.938 109.3 48.0 -51.3 -46.8 89.1 110.8 50.4 49 49 A E H X S+ 0 0 56 -4,-2.2 4,-2.7 1,-0.2 -1,-0.2 0.849 104.5 59.5 -70.2 -33.3 90.2 110.3 53.9 50 50 A F H X S+ 0 0 13 -4,-2.0 4,-2.1 1,-0.2 -1,-0.2 0.928 110.1 43.2 -54.2 -48.3 93.8 110.2 53.1 51 51 A F H X S+ 0 0 0 -4,-1.9 4,-2.5 2,-0.2 -2,-0.2 0.876 110.4 55.4 -70.0 -36.9 93.5 113.6 51.6 52 52 A K H X S+ 0 0 69 -4,-2.1 4,-2.1 2,-0.2 -2,-0.2 0.935 109.2 47.8 -59.5 -46.6 91.4 114.9 54.5 53 53 A E H X S+ 0 0 77 -4,-2.7 4,-2.4 2,-0.2 -2,-0.2 0.926 110.0 52.3 -62.1 -40.5 94.1 113.8 57.0 54 54 A H H X S+ 0 0 3 -4,-2.1 4,-2.4 1,-0.2 5,-0.2 0.907 108.1 53.8 -59.6 -42.6 96.8 115.5 54.8 55 55 A S H X S+ 0 0 3 -4,-2.5 4,-2.0 1,-0.2 -1,-0.2 0.939 109.0 47.1 -58.3 -45.7 94.6 118.7 54.9 56 56 A H H X S+ 0 0 110 -4,-2.1 4,-2.2 1,-0.2 -2,-0.2 0.911 110.7 50.9 -63.8 -42.0 94.5 118.6 58.7 57 57 A E H X S+ 0 0 66 -4,-2.4 4,-2.2 1,-0.2 -1,-0.2 0.911 109.4 50.9 -69.1 -34.4 98.2 118.0 59.1 58 58 A E H X S+ 0 0 0 -4,-2.4 4,-2.1 2,-0.2 -1,-0.2 0.900 109.0 51.7 -67.8 -35.9 99.1 121.0 56.7 59 59 A R H X S+ 0 0 105 -4,-2.0 4,-2.1 -5,-0.2 -1,-0.2 0.914 108.8 50.5 -65.1 -40.4 96.7 123.2 58.8 60 60 A E H X S+ 0 0 109 -4,-2.2 4,-2.1 2,-0.2 -2,-0.2 0.907 108.2 53.3 -64.1 -40.0 98.6 122.1 61.9 61 61 A H H X S+ 0 0 7 -4,-2.2 4,-1.7 2,-0.2 -2,-0.2 0.907 107.1 51.7 -61.8 -38.5 101.9 123.0 60.2 62 62 A A H X S+ 0 0 0 -4,-2.1 4,-1.9 1,-0.2 -1,-0.2 0.925 108.5 51.1 -58.2 -48.2 100.5 126.5 59.4 63 63 A E H X S+ 0 0 90 -4,-2.1 4,-2.4 1,-0.2 -2,-0.2 0.891 105.8 55.4 -59.0 -39.9 99.6 126.9 63.1 64 64 A K H X S+ 0 0 60 -4,-2.1 4,-2.4 1,-0.2 -1,-0.2 0.886 105.9 51.4 -62.9 -36.0 103.2 125.9 64.1 65 65 A F H X S+ 0 0 0 -4,-1.7 4,-2.6 2,-0.2 -1,-0.2 0.873 108.2 52.2 -70.6 -36.0 104.6 128.7 61.8 66 66 A M H X S+ 0 0 48 -4,-1.9 4,-2.1 2,-0.2 -2,-0.2 0.937 111.7 46.6 -61.1 -47.5 102.2 131.2 63.6 67 67 A K H X S+ 0 0 141 -4,-2.4 4,-2.3 1,-0.2 -2,-0.2 0.903 112.6 50.2 -60.4 -43.4 103.5 130.0 67.0 68 68 A Y H X S+ 0 0 2 -4,-2.4 4,-2.2 2,-0.2 6,-0.2 0.925 107.0 54.4 -58.5 -50.1 107.1 130.2 65.7 69 69 A Q H X>S+ 0 0 0 -4,-2.6 5,-2.2 1,-0.2 4,-0.7 0.950 112.7 42.8 -50.2 -50.7 106.6 133.7 64.4 70 70 A N H ><5S+ 0 0 84 -4,-2.1 3,-0.7 1,-0.2 -1,-0.2 0.873 108.1 57.8 -68.1 -37.3 105.5 134.9 67.7 71 71 A K H 3<5S+ 0 0 135 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.874 110.5 45.3 -60.3 -36.5 108.1 133.1 69.7 72 72 A R H 3<5S- 0 0 27 -4,-2.2 -66,-0.4 -5,-0.2 -1,-0.2 0.565 119.9-108.9 -80.7 -13.3 110.8 134.9 67.7 73 73 A G T <<5S+ 0 0 3 -3,-0.7 -71,-0.4 -4,-0.7 -3,-0.2 0.568 75.4 130.8 90.1 12.2 109.0 138.3 68.1 74 74 A G < - 0 0 0 -5,-2.2 2,-0.5 -6,-0.2 -1,-0.3 -0.327 57.9-111.7 -79.5 176.9 107.9 138.6 64.5 75 75 A R - 0 0 133 -2,-0.1 2,-0.3 -3,-0.1 -58,-0.1 -0.949 18.7-126.4-120.9 125.1 104.4 139.5 63.5 76 76 A V - 0 0 46 -2,-0.5 2,-0.5 -10,-0.1 -62,-0.1 -0.555 27.7-174.0 -64.5 128.8 102.0 137.1 61.8 77 77 A V - 0 0 75 -2,-0.3 2,-0.3 -63,-0.1 -2,-0.0 -0.982 10.0-153.9-129.9 115.9 100.6 138.8 58.7 78 78 A L - 0 0 104 -2,-0.5 2,-0.3 -58,-0.1 -60,-0.1 -0.628 10.5-171.5 -92.9 148.7 97.9 136.8 56.9 79 79 A Q - 0 0 131 -2,-0.3 -2,-0.0 -62,-0.2 0, 0.0 -0.838 42.2 -70.1-127.8 166.7 96.9 136.9 53.2 80 80 A D - 0 0 128 -2,-0.3 2,-0.8 1,-0.1 -1,-0.1 -0.292 44.3-125.6 -52.2 147.5 94.0 135.4 51.3 81 81 A I - 0 0 76 -57,-0.1 2,-0.1 -3,-0.0 -1,-0.1 -0.871 31.0-133.5 -97.0 109.0 94.1 131.6 51.0 82 82 A K - 0 0 137 -2,-0.8 3,-0.1 1,-0.1 -54,-0.1 -0.400 19.3-110.9 -63.4 142.3 93.8 131.0 47.2 83 83 A K - 0 0 142 1,-0.1 -1,-0.1 -2,-0.1 -54,-0.1 -0.214 47.9 -81.7 -66.9 157.5 91.4 128.4 46.1 84 84 A P - 0 0 13 0, 0.0 -1,-0.1 0, 0.0 -58,-0.0 -0.207 35.6-112.5 -64.2 162.8 92.8 125.2 44.6 85 85 A E S S+ 0 0 120 -3,-0.1 2,-0.3 2,-0.0 -2,-0.1 0.699 98.2 34.9 -59.6 -37.0 94.0 125.0 40.9 86 86 A R - 0 0 60 1,-0.1 3,-0.1 -57,-0.0 -54,-0.0 -0.937 57.1-153.9-127.1 151.4 91.2 122.6 40.0 87 87 A D S S+ 0 0 134 -2,-0.3 2,-0.3 1,-0.2 -1,-0.1 0.564 91.5 31.3 -93.3 -22.3 87.7 122.1 40.9 88 88 A E - 0 0 91 -52,-0.0 -1,-0.2 1,-0.0 -55,-0.1 -0.975 67.0-151.6-139.5 146.5 87.8 118.4 40.1 89 89 A W - 0 0 2 -2,-0.3 2,-2.1 -57,-0.1 6,-0.2 0.227 23.9-136.0-115.2 11.4 90.7 116.0 40.2 90 90 A G - 0 0 29 4,-0.1 2,-0.3 5,-0.1 -1,-0.1 -0.478 63.4 -34.0 78.9 -73.3 90.1 113.4 37.6 91 91 A N S > S- 0 0 22 -2,-2.1 4,-2.4 -3,-0.1 5,-0.2 -0.911 75.4 -72.6-170.0 179.1 91.0 110.2 39.4 92 92 A T H > S+ 0 0 0 -2,-0.3 4,-2.4 1,-0.2 5,-0.2 0.856 126.8 50.3 -59.1 -39.0 93.3 108.8 42.0 93 93 A L H > S+ 0 0 13 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.958 111.6 45.5 -65.8 -50.4 96.3 109.0 39.7 94 94 A E H > S+ 0 0 72 1,-0.2 4,-2.4 2,-0.2 -2,-0.2 0.895 114.1 50.2 -60.0 -40.7 95.8 112.5 38.6 95 95 A A H X S+ 0 0 0 -4,-2.4 4,-2.5 -6,-0.2 -1,-0.2 0.921 111.2 48.0 -63.6 -45.0 95.2 113.6 42.2 96 96 A M H X S+ 0 0 0 -4,-2.4 4,-2.5 2,-0.2 -2,-0.2 0.878 110.1 52.2 -65.9 -35.1 98.3 111.9 43.5 97 97 A Q H X S+ 0 0 81 -4,-2.7 4,-2.1 2,-0.2 -2,-0.2 0.922 110.9 47.4 -64.3 -41.9 100.3 113.4 40.7 98 98 A A H X S+ 0 0 13 -4,-2.4 4,-2.5 1,-0.2 -2,-0.2 0.908 111.1 52.4 -62.4 -39.7 99.0 116.9 41.8 99 99 A A H X S+ 0 0 0 -4,-2.5 4,-3.0 2,-0.2 -2,-0.2 0.903 106.9 52.6 -63.8 -42.5 99.8 116.0 45.4 100 100 A L H X S+ 0 0 41 -4,-2.5 4,-2.4 1,-0.2 -1,-0.2 0.927 111.1 47.0 -59.7 -43.5 103.4 115.1 44.5 101 101 A Q H X S+ 0 0 112 -4,-2.1 4,-2.3 2,-0.2 -1,-0.2 0.894 112.6 49.2 -60.3 -47.8 103.7 118.5 42.8 102 102 A L H X S+ 0 0 15 -4,-2.5 4,-2.8 2,-0.2 5,-0.2 0.924 111.1 48.9 -60.5 -47.2 102.2 120.3 45.7 103 103 A E H X S+ 0 0 0 -4,-3.0 4,-2.7 1,-0.2 -2,-0.2 0.898 112.3 49.0 -62.2 -38.0 104.5 118.6 48.2 104 104 A K H X S+ 0 0 118 -4,-2.4 4,-2.6 2,-0.2 -1,-0.2 0.868 111.0 50.7 -63.0 -40.4 107.5 119.4 46.0 105 105 A T H X S+ 0 0 67 -4,-2.3 4,-1.9 2,-0.2 -2,-0.2 0.934 112.9 45.3 -66.3 -45.9 106.4 123.0 45.8 106 106 A V H X S+ 0 0 0 -4,-2.8 4,-2.5 1,-0.2 -2,-0.2 0.930 113.8 49.9 -62.8 -43.8 106.0 123.2 49.6 107 107 A N H X S+ 0 0 28 -4,-2.7 4,-2.6 -5,-0.2 5,-0.3 0.897 108.1 52.6 -62.2 -44.3 109.4 121.4 50.0 108 108 A Q H X S+ 0 0 103 -4,-2.6 4,-2.5 2,-0.2 -1,-0.2 0.904 111.1 47.7 -59.0 -41.6 111.1 123.9 47.6 109 109 A A H X S+ 0 0 26 -4,-1.9 4,-2.2 2,-0.2 -2,-0.2 0.921 111.6 49.7 -67.0 -38.4 109.7 126.8 49.6 110 110 A L H X S+ 0 0 0 -4,-2.5 4,-2.1 2,-0.2 -2,-0.2 0.922 113.4 46.5 -65.7 -37.4 110.9 125.2 52.9 111 111 A L H X S+ 0 0 73 -4,-2.6 4,-2.4 1,-0.2 -2,-0.2 0.868 110.5 52.8 -75.4 -34.9 114.4 124.6 51.3 112 112 A D H X S+ 0 0 93 -4,-2.5 4,-2.2 -5,-0.3 -1,-0.2 0.914 110.0 48.0 -62.6 -44.4 114.4 128.2 50.1 113 113 A L H X S+ 0 0 7 -4,-2.2 4,-2.6 2,-0.2 -2,-0.2 0.922 110.0 52.8 -62.5 -39.6 113.6 129.4 53.6 114 114 A H H X S+ 0 0 36 -4,-2.1 4,-2.0 1,-0.2 -2,-0.2 0.894 109.2 49.1 -66.3 -40.3 116.4 127.1 55.0 115 115 A K H X S+ 0 0 112 -4,-2.4 4,-3.0 2,-0.2 -1,-0.2 0.889 112.1 48.0 -63.7 -41.8 118.9 128.7 52.5 116 116 A L H X S+ 0 0 39 -4,-2.2 4,-2.8 2,-0.2 -2,-0.2 0.931 112.5 48.5 -65.4 -42.3 117.8 132.2 53.5 117 117 A A H X>S+ 0 0 0 -4,-2.6 5,-2.9 1,-0.2 4,-0.7 0.859 113.4 49.6 -66.7 -35.2 118.1 131.3 57.2 118 118 A T H <5S+ 0 0 73 -4,-2.0 3,-0.5 3,-0.2 -2,-0.2 0.926 113.7 43.1 -71.0 -43.3 121.5 129.8 56.4 119 119 A D H <5S+ 0 0 97 -4,-3.0 -2,-0.2 1,-0.2 -1,-0.2 0.899 115.9 49.2 -70.7 -37.4 122.7 132.9 54.5 120 120 A K H <5S- 0 0 46 -4,-2.8 -1,-0.2 -5,-0.2 -2,-0.2 0.613 114.1-120.0 -74.8 -16.2 121.2 135.2 57.3 121 121 A V T <5 + 0 0 101 -4,-0.7 -3,-0.2 -3,-0.5 -2,-0.1 0.973 58.5 152.8 64.2 63.8 123.0 133.1 60.0 122 122 A R >< + 0 0 29 -5,-2.9 4,-2.1 -8,-0.2 3,-0.3 -0.707 13.0 170.7-120.5 78.8 119.7 132.0 61.7 123 123 A P H > S+ 0 0 85 0, 0.0 4,-2.6 0, 0.0 5,-0.2 0.778 73.5 55.9 -69.2 -31.2 120.4 128.6 63.4 124 124 A H H > S+ 0 0 89 2,-0.2 4,-2.2 1,-0.2 5,-0.1 0.907 110.7 47.1 -66.5 -37.9 117.3 128.3 65.5 125 125 A L H > S+ 0 0 0 -3,-0.3 4,-2.5 2,-0.2 5,-0.2 0.901 110.5 52.0 -70.2 -44.9 115.2 128.7 62.3 126 126 A C H X S+ 0 0 14 -4,-2.1 4,-2.4 1,-0.2 -2,-0.2 0.953 111.4 47.3 -56.6 -52.1 117.3 126.2 60.4 127 127 A D H X S+ 0 0 86 -4,-2.6 4,-2.8 1,-0.2 5,-0.2 0.913 109.7 52.9 -56.8 -42.8 116.9 123.7 63.2 128 128 A F H X S+ 0 0 27 -4,-2.2 4,-2.6 1,-0.2 5,-0.4 0.937 110.5 48.1 -55.6 -49.2 113.1 124.3 63.3 129 129 A L H X>S+ 0 0 0 -4,-2.5 5,-2.7 2,-0.2 4,-1.6 0.908 114.1 45.9 -60.7 -43.4 112.8 123.6 59.6 130 130 A E H <>S+ 0 0 91 -4,-2.4 5,-1.3 -5,-0.2 -2,-0.2 0.947 118.8 40.6 -62.8 -46.0 114.9 120.5 59.8 131 131 A S H <5S+ 0 0 69 -4,-2.8 -2,-0.2 1,-0.2 -1,-0.2 0.796 127.8 25.4 -74.5 -40.8 113.1 119.1 62.8 132 132 A E H <5S+ 0 0 81 -4,-2.6 -1,-0.2 -5,-0.2 -3,-0.2 0.569 133.5 16.6-107.2 -21.6 109.4 119.9 62.1 133 133 A Y T X5S+ 0 0 3 -4,-1.6 4,-2.0 -5,-0.4 -3,-0.2 0.736 109.4 57.3-121.3 -51.3 109.2 120.2 58.3 134 134 A L H > S+ 0 0 47 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.924 111.7 53.9 -65.1 -35.1 108.3 114.7 57.4 137 137 A Q H X S+ 0 0 4 -4,-2.0 4,-2.5 1,-0.2 -1,-0.2 0.925 106.1 50.2 -60.8 -49.3 108.3 116.3 53.8 138 138 A V H X S+ 0 0 76 -4,-1.9 4,-2.3 1,-0.2 -1,-0.2 0.915 111.3 49.3 -55.5 -45.2 110.7 113.8 52.5 139 139 A K H X S+ 0 0 111 -4,-2.5 4,-2.6 1,-0.2 -2,-0.2 0.896 110.8 49.8 -62.7 -41.9 108.6 111.0 53.9 140 140 A D H X S+ 0 0 9 -4,-2.3 4,-2.3 -5,-0.2 -1,-0.2 0.913 111.2 48.8 -60.2 -46.9 105.4 112.4 52.3 141 141 A I H X S+ 0 0 33 -4,-2.5 4,-2.6 2,-0.2 -2,-0.2 0.924 111.4 49.9 -61.8 -44.2 107.0 112.8 49.0 142 142 A K H X S+ 0 0 127 -4,-2.3 4,-2.7 -5,-0.2 -2,-0.2 0.917 110.9 50.1 -57.2 -47.8 108.3 109.2 49.1 143 143 A R H X S+ 0 0 83 -4,-2.6 4,-2.1 2,-0.2 -1,-0.2 0.923 111.9 46.5 -60.2 -48.0 104.9 107.9 50.1 144 144 A I H X S+ 0 0 0 -4,-2.3 4,-2.4 2,-0.2 -1,-0.2 0.892 111.8 50.8 -65.3 -41.8 103.1 109.7 47.2 145 145 A G H X S+ 0 0 23 -4,-2.6 4,-2.5 2,-0.2 -1,-0.2 0.919 109.5 51.6 -57.7 -47.1 105.7 108.6 44.7 146 146 A D H X S+ 0 0 67 -4,-2.7 4,-2.1 1,-0.2 -2,-0.2 0.898 110.4 49.0 -51.0 -47.1 105.2 105.0 45.9 147 147 A F H X S+ 0 0 21 -4,-2.1 4,-2.8 2,-0.2 -1,-0.2 0.913 108.5 52.3 -61.3 -44.7 101.5 105.4 45.4 148 148 A I H X S+ 0 0 13 -4,-2.4 4,-2.5 1,-0.2 5,-0.2 0.935 108.6 51.7 -58.7 -45.1 101.9 106.8 41.9 149 149 A T H X S+ 0 0 78 -4,-2.5 4,-2.3 1,-0.2 -1,-0.2 0.917 112.4 46.2 -58.3 -44.6 104.1 103.8 41.0 150 150 A N H X S+ 0 0 53 -4,-2.1 4,-2.1 2,-0.2 -2,-0.2 0.864 109.3 53.0 -66.4 -36.9 101.4 101.5 42.3 151 151 A L H <>S+ 0 0 0 -4,-2.8 5,-2.4 2,-0.2 -2,-0.2 0.897 110.5 48.1 -65.4 -39.0 98.6 103.3 40.5 152 152 A K H ><5S+ 0 0 122 -4,-2.5 3,-1.8 1,-0.2 -2,-0.2 0.933 111.0 51.4 -63.9 -45.7 100.5 103.0 37.2 153 153 A R H 3<5S+ 0 0 175 -4,-2.3 -2,-0.2 1,-0.3 -1,-0.2 0.871 106.0 56.5 -56.1 -39.4 101.1 99.3 37.9 154 154 A L T 3<5S- 0 0 43 -4,-2.1 8,-0.3 -5,-0.1 -1,-0.3 0.403 122.6-106.3 -74.1 -2.8 97.3 98.9 38.6 155 155 A G T X>5 - 0 0 27 -3,-1.8 4,-1.9 1,-0.2 3,-0.5 0.609 52.5-158.6 89.4 14.9 96.5 100.3 35.2 156 156 A L T 34< + 0 0 12 -5,-2.4 -1,-0.2 1,-0.3 4,-0.0 -0.384 62.6 25.7 -68.0 152.0 95.3 103.7 35.9 157 157 A P T 34 S+ 0 0 65 0, 0.0 -1,-0.3 0, 0.0 6,-0.1 -0.983 132.4 33.9 -80.2 -16.3 93.6 105.7 34.5 158 158 A E T <4 S+ 0 0 161 -3,-0.5 2,-1.3 1,-0.1 -2,-0.2 0.781 99.3 80.3 -71.1 -35.5 91.8 103.1 32.5 159 159 A N X + 0 0 67 -4,-1.9 4,-1.9 1,-0.2 5,-0.1 -0.635 50.1 176.8 -85.9 92.8 91.7 100.2 34.9 160 160 A G H > S+ 0 0 47 -2,-1.3 4,-2.6 1,-0.2 -1,-0.2 0.845 80.5 56.6 -63.3 -35.2 88.8 100.9 37.3 161 161 A M H > S+ 0 0 133 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.920 106.6 51.0 -62.1 -39.9 89.3 97.6 39.1 162 162 A G H > S+ 0 0 1 -8,-0.3 4,-2.3 2,-0.2 -2,-0.2 0.907 109.9 49.5 -63.9 -43.3 92.8 98.6 39.8 163 163 A E H X S+ 0 0 31 -4,-1.9 4,-1.8 1,-0.2 -2,-0.2 0.919 110.2 51.2 -60.1 -43.0 91.6 101.9 41.2 164 164 A Y H X S+ 0 0 138 -4,-2.6 4,-1.2 1,-0.2 -2,-0.2 0.914 110.4 49.1 -55.1 -49.2 89.1 100.2 43.4 165 165 A L H X S+ 0 0 66 -4,-2.5 4,-2.1 1,-0.2 5,-0.3 0.870 104.9 57.4 -65.7 -38.2 91.8 97.9 44.8 166 166 A F H X>S+ 0 0 1 -4,-2.3 4,-2.6 1,-0.2 5,-0.9 0.922 104.7 52.9 -56.2 -45.1 94.2 100.7 45.5 167 167 A D H <5S+ 0 0 4 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.840 114.0 43.1 -62.4 -30.1 91.5 102.3 47.7 168 168 A K H <5S+ 0 0 52 -4,-1.2 -1,-0.2 -3,-0.3 -2,-0.2 0.798 128.4 22.4 -82.0 -30.2 91.1 99.1 49.6 169 169 A H H <5S+ 0 0 151 -4,-2.1 -3,-0.2 3,-0.1 -2,-0.2 0.684 119.3 46.3-113.1 -29.2 94.8 98.1 50.1 170 170 A S T <5S+ 0 0 44 -4,-2.6 2,-0.3 -5,-0.3 -3,-0.2 0.755 106.7 49.0 -92.5 -31.6 97.1 101.1 49.8 171 171 A V S