==== 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 17-JUN-11 3SHX . COMPND 2 MOLECULE: FERRITIN, MIDDLE SUBUNIT; . SOURCE 2 ORGANISM_SCIENTIFIC: RANA CATESBEIANA; . AUTHOR T.TOSHA,H.L.NG,T.ALBER,E.C.THEIL . 175 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9894.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 133 76.0 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 . 9 5.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 115 65.7 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 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 0 169 0, 0.0 2,-0.1 0, 0.0 73,-0.1 0.000 360.0 360.0 360.0 159.2 72.7 146.4 115.8 2 2 A S > - 0 0 23 71,-0.4 3,-1.3 1,-0.1 72,-0.0 -0.431 360.0-126.2 -59.6 143.1 74.0 143.7 113.6 3 3 A Q T 3 S+ 0 0 198 1,-0.3 -1,-0.1 -2,-0.1 70,-0.0 0.680 110.0 50.6 -62.8 -21.2 72.3 143.3 110.2 4 4 A V T 3 S+ 0 0 81 69,-0.0 -1,-0.3 2,-0.0 2,-0.1 0.604 82.3 117.4 -88.4 -18.2 71.7 139.6 111.0 5 5 A R < + 0 0 57 -3,-1.3 2,-0.3 68,-0.2 68,-0.1 -0.340 31.1 156.7 -64.7 133.1 70.2 140.1 114.4 6 6 A Q - 0 0 158 66,-0.4 3,-0.1 -2,-0.1 -3,-0.0 -0.929 67.5 -10.9-157.7 124.2 66.6 138.9 114.9 7 7 A N S S+ 0 0 95 -2,-0.3 2,-0.6 1,-0.2 117,-0.1 0.834 90.2 135.4 62.5 32.4 64.7 138.0 118.0 8 8 A Y - 0 0 11 64,-0.1 -1,-0.2 114,-0.0 2,-0.2 -0.920 44.6-148.0-120.8 103.9 68.0 137.9 120.1 9 9 A H >> - 0 0 74 -2,-0.6 4,-2.2 1,-0.1 3,-0.6 -0.460 17.6-125.6 -77.1 143.9 67.7 139.6 123.4 10 10 A S H 3> S+ 0 0 75 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.848 111.4 57.1 -51.0 -37.6 70.6 141.3 125.0 11 11 A D H 3> S+ 0 0 75 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.889 107.2 47.4 -66.4 -35.7 70.2 139.3 128.1 12 12 A C H <> S+ 0 0 0 -3,-0.6 4,-2.4 2,-0.2 -2,-0.2 0.890 109.4 53.8 -67.6 -44.3 70.6 136.0 126.1 13 13 A E H X S+ 0 0 31 -4,-2.2 4,-1.9 2,-0.2 -2,-0.2 0.929 111.5 46.0 -55.9 -46.3 73.6 137.4 124.3 14 14 A A H X S+ 0 0 36 -4,-2.3 4,-2.1 1,-0.2 -2,-0.2 0.922 110.9 51.4 -64.0 -42.4 75.2 138.1 127.7 15 15 A A H X S+ 0 0 13 -4,-2.2 4,-2.4 1,-0.2 -1,-0.2 0.857 106.0 56.0 -64.7 -37.3 74.3 134.7 129.1 16 16 A V H X S+ 0 0 0 -4,-2.4 4,-2.4 2,-0.2 -1,-0.2 0.927 107.1 49.9 -60.4 -44.0 75.8 133.0 126.1 17 17 A N H X S+ 0 0 19 -4,-1.9 4,-2.0 1,-0.2 -2,-0.2 0.907 111.1 49.0 -60.7 -40.0 79.1 134.9 126.9 18 18 A R H X S+ 0 0 160 -4,-2.1 4,-2.4 2,-0.2 -1,-0.2 0.899 110.7 50.2 -70.8 -38.5 79.0 133.7 130.5 19 19 A M H X S+ 0 0 7 -4,-2.4 4,-2.5 2,-0.2 5,-0.2 0.903 107.1 54.1 -62.2 -39.6 78.3 130.1 129.4 20 20 A L H X S+ 0 0 3 -4,-2.4 4,-1.9 1,-0.2 -2,-0.2 0.944 110.3 47.8 -56.6 -49.9 81.3 130.3 127.0 21 21 A N H X S+ 0 0 38 -4,-2.0 4,-2.5 1,-0.2 -2,-0.2 0.898 110.0 51.8 -59.9 -46.3 83.4 131.3 130.0 22 22 A L H X S+ 0 0 33 -4,-2.4 4,-2.8 2,-0.2 -1,-0.2 0.872 108.4 51.4 -60.9 -36.9 82.1 128.5 132.2 23 23 A E H X S+ 0 0 0 -4,-2.5 4,-2.5 2,-0.2 -1,-0.2 0.890 110.0 48.8 -65.9 -39.2 82.8 126.0 129.6 24 24 A L H X S+ 0 0 35 -4,-1.9 4,-2.3 2,-0.2 -2,-0.2 0.917 111.8 50.1 -63.5 -43.0 86.4 127.2 129.3 25 25 A Y H X S+ 0 0 61 -4,-2.5 4,-2.4 2,-0.2 -2,-0.2 0.935 110.6 49.0 -63.0 -44.5 86.6 127.1 133.1 26 26 A A H X S+ 0 0 0 -4,-2.8 4,-2.4 1,-0.2 5,-0.2 0.923 110.3 52.0 -61.6 -43.0 85.3 123.5 133.1 27 27 A S H X S+ 0 0 6 -4,-2.5 4,-1.9 1,-0.2 -1,-0.2 0.908 109.7 49.3 -53.3 -47.2 87.9 122.6 130.4 28 28 A Y H X S+ 0 0 114 -4,-2.3 4,-1.9 1,-0.2 -1,-0.2 0.904 108.8 52.0 -67.7 -40.5 90.7 124.1 132.5 29 29 A T H X S+ 0 0 7 -4,-2.4 4,-1.9 1,-0.2 -1,-0.2 0.923 109.9 48.9 -56.4 -49.9 89.6 122.1 135.6 30 30 A Y H X S+ 0 0 2 -4,-2.4 4,-2.4 1,-0.2 -2,-0.2 0.869 107.7 55.4 -63.6 -33.8 89.6 118.9 133.7 31 31 A S H X S+ 0 0 38 -4,-1.9 4,-2.4 1,-0.2 -1,-0.2 0.894 106.0 52.4 -64.2 -36.1 93.1 119.7 132.4 32 32 A S H X S+ 0 0 25 -4,-1.9 4,-2.2 2,-0.2 -1,-0.2 0.902 107.5 51.4 -65.0 -39.4 94.2 120.1 136.0 33 33 A M H X S+ 0 0 0 -4,-1.9 4,-2.4 2,-0.2 5,-0.2 0.932 109.2 51.1 -64.9 -41.9 92.8 116.7 136.8 34 34 A Y H X S+ 0 0 68 -4,-2.4 4,-1.5 1,-0.2 -2,-0.2 0.955 109.6 48.8 -53.7 -50.8 94.7 115.2 133.9 35 35 A A H X S+ 0 0 50 -4,-2.4 4,-0.5 1,-0.2 -1,-0.2 0.903 110.5 52.4 -59.1 -38.4 97.9 116.8 135.0 36 36 A F H >< S+ 0 0 9 -4,-2.2 3,-1.3 1,-0.2 7,-0.3 0.951 109.6 46.7 -64.7 -47.2 97.4 115.4 138.6 37 37 A F H 3< S+ 0 0 0 -4,-2.4 7,-2.2 1,-0.3 11,-0.2 0.704 107.7 59.1 -71.9 -15.7 96.8 111.8 137.5 38 38 A D H 3< S+ 0 0 76 -4,-1.5 -1,-0.3 -5,-0.2 -2,-0.2 0.531 80.7 114.6 -83.5 -13.1 99.8 112.0 135.2 39 39 A R S XX S- 0 0 106 -3,-1.3 4,-2.2 -4,-0.5 3,-1.9 -0.321 76.7-123.0 -58.0 148.3 102.1 112.8 138.2 40 40 A D T 34 S+ 0 0 151 1,-0.3 -1,-0.1 2,-0.2 -3,-0.0 0.745 113.6 51.2 -64.1 -24.8 104.7 110.2 139.0 41 41 A D T 34 S+ 0 0 98 1,-0.0 -1,-0.3 0, 0.0 -2,-0.1 0.252 121.0 33.0 -98.9 12.7 103.4 109.9 142.6 42 42 A V T <4 S+ 0 0 36 -3,-1.9 -2,-0.2 -6,-0.1 -5,-0.1 0.547 77.3 172.2-123.1 -68.8 99.8 109.4 141.3 43 43 A A < + 0 0 46 -4,-2.2 2,-0.5 -7,-0.3 -5,-0.2 0.920 19.8 140.2 61.5 53.2 100.3 107.5 138.1 44 44 A L > + 0 0 16 -7,-2.2 4,-2.4 1,-0.1 -1,-0.2 -0.804 23.1 176.3-121.9 83.3 96.8 106.5 137.0 45 45 A H H > S+ 0 0 89 -2,-0.5 4,-2.1 1,-0.2 -1,-0.1 0.782 72.6 51.2 -73.9 -29.2 97.1 107.1 133.3 46 46 A N H > S+ 0 0 9 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.892 112.5 48.6 -71.4 -39.6 93.7 105.9 132.0 47 47 A V H > S+ 0 0 0 2,-0.2 4,-1.9 1,-0.2 -2,-0.2 0.933 110.6 52.3 -57.9 -46.0 92.1 108.1 134.6 48 48 A A H X S+ 0 0 0 -4,-2.4 4,-2.2 1,-0.2 -2,-0.2 0.931 109.1 48.9 -54.5 -48.7 94.3 111.0 133.4 49 49 A E H X S+ 0 0 52 -4,-2.1 4,-2.6 1,-0.2 -1,-0.2 0.851 104.8 58.7 -65.6 -33.7 93.3 110.4 129.8 50 50 A F H X S+ 0 0 31 -4,-1.9 4,-1.9 1,-0.2 -1,-0.2 0.934 109.6 44.3 -57.3 -46.3 89.6 110.4 130.8 51 51 A F H X S+ 0 0 0 -4,-1.9 4,-2.4 2,-0.2 -2,-0.2 0.878 109.6 55.6 -68.8 -38.4 89.9 113.8 132.2 52 52 A K H X S+ 0 0 77 -4,-2.2 4,-2.2 2,-0.2 -2,-0.2 0.916 107.4 50.1 -57.9 -45.7 92.0 115.0 129.2 53 53 A E H X S+ 0 0 88 -4,-2.6 4,-2.4 1,-0.2 -2,-0.2 0.904 110.3 50.0 -58.3 -45.9 89.2 113.9 126.9 54 54 A H H X S+ 0 0 18 -4,-1.9 4,-2.3 2,-0.2 -1,-0.2 0.895 106.2 55.5 -61.6 -36.6 86.7 115.8 129.0 55 55 A S H X S+ 0 0 3 -4,-2.4 4,-1.9 1,-0.2 -2,-0.2 0.935 109.5 47.8 -61.3 -43.5 88.8 118.9 128.9 56 56 A H H X S+ 0 0 65 -4,-2.2 4,-2.4 1,-0.2 -1,-0.2 0.922 109.3 52.2 -61.9 -45.6 88.8 118.8 125.1 57 57 A E H X S+ 0 0 56 -4,-2.4 4,-1.9 1,-0.2 -1,-0.2 0.898 108.2 50.7 -63.1 -38.2 85.1 118.3 124.9 58 58 A E H X S+ 0 0 0 -4,-2.3 4,-2.1 2,-0.2 -1,-0.2 0.883 109.1 51.4 -69.2 -36.9 84.4 121.3 127.1 59 59 A R H X S+ 0 0 96 -4,-1.9 4,-2.1 1,-0.2 -1,-0.2 0.904 107.8 53.7 -62.7 -37.7 86.7 123.5 125.0 60 60 A E H X S+ 0 0 98 -4,-2.4 4,-1.9 1,-0.2 -2,-0.2 0.888 106.7 51.5 -63.2 -39.5 84.8 122.3 121.9 61 61 A H H X S+ 0 0 18 -4,-1.9 4,-2.1 1,-0.2 -1,-0.2 0.909 107.0 53.3 -63.2 -37.8 81.5 123.4 123.6 62 62 A A H X S+ 0 0 2 -4,-2.1 4,-2.0 1,-0.2 -1,-0.2 0.922 107.4 51.4 -60.6 -42.5 83.0 126.8 124.3 63 63 A E H X S+ 0 0 111 -4,-2.1 4,-2.3 1,-0.2 -1,-0.2 0.893 106.3 54.8 -63.9 -37.3 83.9 127.2 120.6 64 64 A K H X S+ 0 0 63 -4,-1.9 4,-2.3 2,-0.2 -1,-0.2 0.889 106.7 50.6 -63.6 -37.8 80.3 126.2 119.6 65 65 A F H X S+ 0 0 0 -4,-2.1 4,-2.4 2,-0.2 -1,-0.2 0.879 109.1 52.4 -65.0 -39.9 78.9 129.1 121.9 66 66 A M H X S+ 0 0 64 -4,-2.0 4,-2.0 1,-0.2 -2,-0.2 0.943 112.1 44.8 -56.2 -52.3 81.4 131.5 120.1 67 67 A K H X S+ 0 0 134 -4,-2.3 4,-2.2 1,-0.2 -2,-0.2 0.895 112.9 51.1 -62.5 -42.0 80.1 130.4 116.7 68 68 A Y H X S+ 0 0 4 -4,-2.3 4,-2.1 2,-0.2 6,-0.3 0.911 106.3 54.8 -60.1 -46.9 76.5 130.6 117.9 69 69 A Q H X>S+ 0 0 0 -4,-2.4 5,-2.2 1,-0.2 4,-0.6 0.958 112.0 43.5 -51.7 -51.4 77.0 134.1 119.3 70 70 A N H ><5S+ 0 0 84 -4,-2.0 3,-0.8 1,-0.2 -1,-0.2 0.867 108.3 57.9 -64.9 -38.7 78.2 135.3 115.9 71 71 A K H 3<5S+ 0 0 144 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.883 110.1 45.1 -61.4 -34.7 75.5 133.5 113.9 72 72 A R H 3<5S- 0 0 25 -4,-2.1 -66,-0.4 -3,-0.2 -1,-0.2 0.535 120.2-108.1 -83.5 -7.9 72.9 135.4 115.9 73 73 A G T <<5S+ 0 0 3 -3,-0.8 -71,-0.4 -4,-0.6 -3,-0.2 0.554 75.4 132.1 88.9 9.2 74.6 138.7 115.6 74 74 A G < - 0 0 0 -5,-2.2 2,-0.5 -6,-0.3 -1,-0.3 -0.329 56.6-112.5 -79.0 176.5 75.7 139.0 119.1 75 75 A R - 0 0 134 -2,-0.1 2,-0.2 -3,-0.1 -58,-0.1 -0.949 18.3-125.5-122.3 125.3 79.2 139.9 120.1 76 76 A V - 0 0 47 -2,-0.5 2,-0.4 -10,-0.1 -62,-0.1 -0.469 27.7-175.9 -64.9 125.4 81.7 137.6 121.8 77 77 A V - 0 0 78 -2,-0.2 2,-0.3 -63,-0.1 -2,-0.0 -0.986 10.4-156.0-129.0 113.7 83.1 139.2 125.0 78 78 A L - 0 0 104 -2,-0.4 2,-0.3 -58,-0.1 -60,-0.1 -0.664 9.7-172.1 -92.6 147.7 85.8 137.1 126.7 79 79 A Q - 0 0 133 -2,-0.3 -2,-0.0 -62,-0.2 3,-0.0 -0.861 41.7 -68.5-125.2 170.3 86.7 137.2 130.4 80 80 A D - 0 0 127 -2,-0.3 2,-0.8 1,-0.1 -1,-0.1 -0.240 44.1-125.8 -54.5 148.1 89.6 135.7 132.3 81 81 A I - 0 0 77 -57,-0.1 -1,-0.1 -3,-0.0 2,-0.1 -0.861 30.5-133.4 -98.0 108.8 89.5 131.9 132.6 82 82 A K - 0 0 138 -2,-0.8 -54,-0.1 1,-0.1 3,-0.1 -0.379 19.6-111.7 -65.8 138.3 89.7 131.3 136.4 83 83 A K - 0 0 138 1,-0.1 -1,-0.1 -2,-0.1 -54,-0.1 -0.250 47.5 -82.6 -61.9 159.2 92.2 128.7 137.6 84 84 A P - 0 0 13 0, 0.0 -1,-0.1 0, 0.0 -58,-0.0 -0.201 36.3-111.4 -64.6 162.2 90.7 125.5 139.1 85 85 A E S S+ 0 0 115 -3,-0.1 2,-0.3 2,-0.0 -2,-0.1 0.686 98.0 34.3 -58.8 -36.0 89.5 125.3 142.7 86 86 A R - 0 0 63 1,-0.1 3,-0.1 -57,-0.0 -54,-0.0 -0.946 57.4-153.3-127.4 152.5 92.3 122.9 143.7 87 87 A D S S+ 0 0 134 -2,-0.3 2,-0.3 1,-0.2 -1,-0.1 0.564 91.7 31.7 -94.0 -21.8 95.8 122.3 142.7 88 88 A E - 0 0 90 1,-0.0 -1,-0.2 -52,-0.0 -55,-0.1 -0.978 66.5-152.8-139.1 147.6 95.7 118.7 143.7 89 89 A W - 0 0 2 -2,-0.3 2,-2.0 -57,-0.1 6,-0.2 0.235 24.7-135.3-119.8 15.4 92.8 116.3 143.5 90 90 A G - 0 0 29 4,-0.1 2,-0.3 5,-0.1 -1,-0.1 -0.452 62.5 -33.5 79.6 -75.7 93.4 113.7 146.2 91 91 A N S > S- 0 0 23 -2,-2.0 4,-2.5 -3,-0.1 5,-0.2 -0.907 75.2 -72.7-169.4 179.0 92.5 110.4 144.4 92 92 A T H > S+ 0 0 0 -2,-0.3 4,-2.4 1,-0.2 5,-0.2 0.866 126.8 50.1 -58.1 -40.9 90.2 109.0 141.8 93 93 A L H > S+ 0 0 14 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.966 112.1 45.6 -64.3 -49.9 87.2 109.2 144.1 94 94 A E H > S+ 0 0 72 1,-0.2 4,-2.3 2,-0.2 -2,-0.2 0.889 113.7 50.4 -61.3 -41.7 87.7 112.8 145.1 95 95 A A H X S+ 0 0 0 -4,-2.5 4,-2.4 2,-0.2 -1,-0.2 0.917 111.2 48.4 -62.0 -45.2 88.3 113.8 141.5 96 96 A M H X S+ 0 0 0 -4,-2.4 4,-2.6 2,-0.2 -2,-0.2 0.881 110.3 52.0 -63.6 -37.6 85.2 112.0 140.3 97 97 A Q H X S+ 0 0 80 -4,-2.5 4,-2.0 1,-0.2 -1,-0.2 0.932 110.6 47.8 -62.8 -41.3 83.2 113.7 143.0 98 98 A A H X S+ 0 0 16 -4,-2.3 4,-2.4 1,-0.2 -2,-0.2 0.882 111.1 51.1 -64.5 -39.9 84.5 117.0 142.0 99 99 A A H X S+ 0 0 0 -4,-2.4 4,-2.9 2,-0.2 5,-0.2 0.896 107.0 54.1 -62.5 -42.1 83.7 116.2 138.3 100 100 A L H X S+ 0 0 42 -4,-2.6 4,-2.2 1,-0.2 -2,-0.2 0.931 110.9 45.7 -56.2 -48.0 80.1 115.3 139.3 101 101 A Q H X S+ 0 0 125 -4,-2.0 4,-2.2 2,-0.2 -2,-0.2 0.911 112.6 50.7 -64.4 -41.4 79.7 118.7 141.0 102 102 A L H X S+ 0 0 15 -4,-2.4 4,-2.6 2,-0.2 -2,-0.2 0.928 110.6 48.9 -61.7 -44.4 81.3 120.5 138.0 103 103 A E H X S+ 0 0 0 -4,-2.9 4,-2.6 1,-0.2 -1,-0.2 0.876 110.8 50.1 -64.2 -38.7 79.0 118.7 135.6 104 104 A K H X S+ 0 0 120 -4,-2.2 4,-2.6 -5,-0.2 -1,-0.2 0.861 109.8 52.1 -64.2 -41.0 76.0 119.6 137.7 105 105 A T H X S+ 0 0 67 -4,-2.2 4,-2.0 2,-0.2 -2,-0.2 0.929 111.6 45.3 -59.0 -48.4 77.1 123.2 137.8 106 106 A V H X S+ 0 0 0 -4,-2.6 4,-2.4 2,-0.2 -2,-0.2 0.916 112.5 51.7 -61.6 -44.6 77.4 123.3 134.0 107 107 A N H X S+ 0 0 33 -4,-2.6 4,-2.7 1,-0.2 5,-0.2 0.906 108.7 50.8 -60.3 -42.9 74.0 121.6 133.6 108 108 A Q H X S+ 0 0 97 -4,-2.6 4,-2.5 1,-0.2 -1,-0.2 0.892 108.5 52.0 -62.7 -40.8 72.4 124.1 136.0 109 109 A A H X S+ 0 0 25 -4,-2.0 4,-2.3 2,-0.2 -2,-0.2 0.911 111.0 47.9 -61.6 -40.2 73.9 127.0 133.9 110 110 A L H X S+ 0 0 10 -4,-2.4 4,-2.5 2,-0.2 -2,-0.2 0.922 111.1 50.3 -65.8 -40.7 72.4 125.4 130.8 111 111 A L H X S+ 0 0 90 -4,-2.7 4,-2.4 1,-0.2 -2,-0.2 0.912 111.3 49.0 -60.0 -44.6 69.0 125.0 132.5 112 112 A D H X S+ 0 0 94 -4,-2.5 4,-2.2 2,-0.2 -1,-0.2 0.901 110.9 49.5 -63.9 -41.0 69.1 128.6 133.5 113 113 A L H X S+ 0 0 6 -4,-2.3 4,-2.8 2,-0.2 -2,-0.2 0.897 110.0 51.4 -66.4 -38.6 70.0 129.7 130.0 114 114 A H H X S+ 0 0 51 -4,-2.5 4,-2.4 2,-0.2 -2,-0.2 0.915 109.4 50.2 -64.2 -39.5 67.1 127.6 128.6 115 115 A K H X S+ 0 0 62 -4,-2.4 4,-2.6 2,-0.2 -1,-0.2 0.919 112.0 48.1 -62.7 -43.0 64.7 129.2 131.1 116 116 A L H X S+ 0 0 41 -4,-2.2 4,-2.4 2,-0.2 -2,-0.2 0.939 111.5 49.1 -62.8 -49.1 66.0 132.7 130.0 117 117 A A H <>S+ 0 0 0 -4,-2.8 5,-2.7 2,-0.2 -2,-0.2 0.885 112.1 50.5 -57.2 -39.2 65.6 131.8 126.3 118 118 A T H ><5S+ 0 0 69 -4,-2.4 3,-1.7 1,-0.2 -2,-0.2 0.946 109.5 49.2 -66.1 -45.3 62.1 130.5 127.0 119 119 A D H 3<5S+ 0 0 115 -4,-2.6 -2,-0.2 1,-0.3 -1,-0.2 0.863 112.0 48.1 -67.2 -30.8 61.2 133.7 128.8 120 120 A K T 3<5S- 0 0 75 -4,-2.4 -1,-0.3 -5,-0.2 -2,-0.2 0.387 113.4-120.2 -87.7 4.5 62.5 135.8 126.0 121 121 A V T < 5 + 0 0 107 -3,-1.7 -3,-0.2 1,-0.2 3,-0.1 0.936 59.7 151.2 53.9 56.8 60.6 133.6 123.5 122 122 A D >< + 0 0 2 -5,-2.7 4,-2.2 1,-0.1 -1,-0.2 -0.804 16.3 171.4-116.7 84.5 63.7 132.6 121.6 123 123 A P H > S+ 0 0 88 0, 0.0 4,-2.6 0, 0.0 5,-0.2 0.782 76.1 60.5 -68.8 -23.7 63.0 129.1 120.2 124 124 A H H > S+ 0 0 97 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.944 108.5 43.3 -65.7 -47.0 66.2 129.1 118.1 125 125 A L H > S+ 0 0 0 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.920 113.4 51.8 -64.1 -41.8 68.3 129.4 121.3 126 126 A C H X S+ 0 0 13 -4,-2.2 4,-2.7 1,-0.2 -2,-0.2 0.940 111.3 47.6 -58.9 -46.9 66.2 126.9 123.1 127 127 A D H X S+ 0 0 88 -4,-2.6 4,-2.1 2,-0.2 -2,-0.2 0.908 110.5 52.6 -62.8 -41.4 66.6 124.4 120.1 128 128 A F H X S+ 0 0 16 -4,-2.5 4,-0.6 2,-0.2 -1,-0.2 0.951 112.3 44.3 -57.9 -45.9 70.4 125.1 120.1 129 129 A L H >X S+ 0 0 4 -4,-2.4 4,-1.2 1,-0.2 3,-0.7 0.908 115.4 47.3 -68.5 -38.4 70.7 124.3 123.8 130 130 A E H 3< S+ 0 0 105 -4,-2.7 5,-0.4 1,-0.2 -1,-0.2 0.682 113.3 51.9 -76.6 -21.5 68.4 121.2 123.4 131 131 A S H 3< S+ 0 0 67 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.337 119.2 29.7 -94.3 -5.1 70.5 120.1 120.4 132 132 A E H << S+ 0 0 68 -3,-0.7 -2,-0.2 -4,-0.6 -3,-0.1 0.587 126.3 16.5-116.9 -4.8 74.0 120.3 121.8 133 133 A Y S X S+ 0 0 3 -4,-1.2 4,-2.8 -5,-0.2 5,-0.3 0.845 89.2 69.0-137.8 -46.1 73.5 119.5 125.5 134 134 A P H > S+ 0 0 53 0, 0.0 4,-2.8 0, 0.0 5,-0.2 0.894 107.5 45.8 -74.4 -31.2 71.0 118.1 127.7 135 135 A E H > S+ 0 0 141 -5,-0.4 4,-2.0 1,-0.2 -2,-0.1 0.846 118.3 42.5 -62.1 -56.2 71.3 114.6 126.4 136 136 A E H > S+ 0 0 47 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.801 114.8 51.3 -62.9 -45.7 75.1 114.6 126.5 137 137 A Q H X S+ 0 0 0 -4,-2.8 4,-2.3 2,-0.2 -2,-0.2 0.951 111.1 46.1 -64.9 -44.7 75.2 116.4 129.9 138 138 A V H X S+ 0 0 84 -4,-2.8 4,-2.5 -5,-0.3 -2,-0.2 0.907 112.5 52.2 -65.3 -37.4 72.8 113.9 131.6 139 139 A K H X S+ 0 0 110 -4,-2.0 4,-2.3 2,-0.2 -1,-0.2 0.902 109.9 48.2 -66.0 -39.5 74.8 111.0 130.1 140 140 A D H X S+ 0 0 29 -4,-2.2 4,-2.3 2,-0.2 -2,-0.2 0.917 111.7 49.4 -65.0 -41.0 78.1 112.5 131.5 141 141 A I H X S+ 0 0 30 -4,-2.3 4,-2.5 1,-0.2 -2,-0.2 0.927 111.8 50.3 -62.1 -45.2 76.5 112.9 134.9 142 142 A K H X S+ 0 0 127 -4,-2.5 4,-2.6 1,-0.2 -2,-0.2 0.896 109.9 48.8 -61.0 -46.4 75.2 109.4 134.8 143 143 A R H X S+ 0 0 121 -4,-2.3 4,-2.2 2,-0.2 -1,-0.2 0.914 111.9 48.6 -61.2 -42.7 78.6 107.9 133.8 144 144 A I H X S+ 0 0 2 -4,-2.3 4,-2.7 2,-0.2 -2,-0.2 0.918 111.7 50.0 -65.5 -40.3 80.4 109.8 136.6 145 145 A G H X S+ 0 0 23 -4,-2.5 4,-2.6 1,-0.2 -2,-0.2 0.935 109.1 51.5 -62.0 -43.9 77.8 108.7 139.2 146 146 A D H X S+ 0 0 57 -4,-2.6 4,-2.1 1,-0.2 -1,-0.2 0.901 111.1 49.1 -56.3 -44.9 78.3 105.1 138.0 147 147 A F H X S+ 0 0 5 -4,-2.2 4,-2.9 2,-0.2 5,-0.2 0.932 108.7 51.5 -62.3 -44.7 82.0 105.5 138.4 148 148 A I H X S+ 0 0 14 -4,-2.7 4,-2.5 1,-0.2 5,-0.2 0.929 109.0 51.5 -57.6 -46.8 81.6 107.0 142.0 149 149 A T H X S+ 0 0 77 -4,-2.6 4,-2.3 1,-0.2 -1,-0.2 0.919 112.8 46.1 -55.0 -47.2 79.4 104.0 142.9 150 150 A N H X S+ 0 0 52 -4,-2.1 4,-2.0 2,-0.2 -2,-0.2 0.885 109.5 53.2 -67.6 -35.6 82.1 101.6 141.6 151 151 A L H <>S+ 0 0 0 -4,-2.9 5,-2.3 1,-0.2 -1,-0.2 0.898 110.6 47.7 -65.2 -40.4 84.9 103.5 143.3 152 152 A K H ><5S+ 0 0 123 -4,-2.5 3,-1.5 -5,-0.2 -2,-0.2 0.922 110.7 51.2 -65.7 -42.8 83.1 103.2 146.6 153 153 A R H 3<5S+ 0 0 173 -4,-2.3 -2,-0.2 1,-0.3 -1,-0.2 0.844 106.0 56.4 -57.3 -38.4 82.5 99.5 145.9 154 154 A L T 3<5S- 0 0 49 -4,-2.0 8,-0.3 -5,-0.2 -1,-0.3 0.450 123.6-104.9 -76.4 0.5 86.2 99.1 145.2 155 155 A G T X>5 - 0 0 26 -3,-1.5 4,-2.1 1,-0.2 3,-0.5 0.646 53.0-157.7 87.3 15.2 87.0 100.5 148.7 156 156 A L T 34< + 0 0 11 -5,-2.3 -1,-0.2 1,-0.3 4,-0.0 -0.426 63.4 24.3 -63.9 148.8 88.2 104.0 147.9 157 157 A P T 34 S+ 0 0 67 0, 0.0 -1,-0.3 0, 0.0 6,-0.1 -0.987 132.0 34.9 -82.2 -15.3 89.9 105.9 149.3 158 158 A E T <4 S+ 0 0 163 -3,-0.5 2,-1.3 1,-0.1 -2,-0.2 0.829 98.7 79.5 -69.9 -34.6 91.7 103.3 151.3 159 159 A N X + 0 0 76 -4,-2.1 4,-2.0 1,-0.2 5,-0.2 -0.601 50.1 177.7 -88.9 97.7 91.9 100.4 148.9 160 160 A G H > S+ 0 0 46 -2,-1.3 4,-2.6 1,-0.2 -1,-0.2 0.852 81.4 57.6 -65.7 -35.6 94.7 101.1 146.5 161 161 A M H > S+ 0 0 133 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.912 106.1 50.4 -58.9 -41.7 94.3 97.8 144.8 162 162 A G H > S+ 0 0 3 -8,-0.3 4,-2.4 2,-0.2 -2,-0.2 0.909 110.2 49.6 -62.2 -45.2 90.7 98.8 144.0 163 163 A E H X S+ 0 0 30 -4,-2.0 4,-1.8 1,-0.2 -2,-0.2 0.925 110.4 50.7 -56.8 -45.6 91.9 102.2 142.7 164 164 A Y H X S+ 0 0 137 -4,-2.6 4,-1.1 1,-0.2 -2,-0.2 0.923 110.5 49.4 -55.2 -48.4 94.4 100.4 140.5 165 165 A L H X S+ 0 0 66 -4,-2.4 4,-2.3 1,-0.2 3,-0.4 0.884 105.0 57.5 -65.0 -40.4 91.8 98.1 139.1 166 166 A F H X>S+ 0 0 1 -4,-2.4 4,-2.5 1,-0.2 5,-1.0 0.931 104.2 52.6 -54.1 -45.9 89.4 100.9 138.3 167 167 A D H <5S+ 0 0 5 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.833 113.7 44.1 -61.6 -30.9 92.0 102.5 136.1 168 168 A K H <5S+ 0 0 80 -4,-1.1 -2,-0.2 -3,-0.4 -1,-0.2 0.801 128.7 21.1 -82.4 -29.1 92.4 99.2 134.2 169 169 A H H <5S+ 0 0 150 -4,-2.3 -3,-0.2 3,-0.1 -2,-0.2 0.700 119.4 47.1-115.3 -26.8 88.8 98.3 133.8 170 170 A S T <5S+ 0 0 30 -4,-2.5 2,-0.3 -5,-0.3 -3,-0.2 0.767 106.2 51.0 -91.6 -35.1 86.4 101.2 134.1 171 171 A V S