==== 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 OXIDOREDUCTASE 18-OCT-09 3KA3 . COMPND 2 MOLECULE: FERRITIN, MIDDLE SUBUNIT; . SOURCE 2 ORGANISM_SCIENTIFIC: RANA CATESBEIANA; . AUTHOR T.TOSHA,H.L.NG,E.THEIL,T.ALBER,O.BHATTASALI . 174 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9836.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 133 76.4 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 . 7 4.0 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 0 169 0, 0.0 2,-0.1 0, 0.0 73,-0.1 0.000 360.0 360.0 360.0 155.7 54.3 164.6 160.0 2 2 A S > - 0 0 27 71,-0.4 3,-1.2 1,-0.1 72,-0.0 -0.444 360.0-124.8 -56.5 141.5 51.6 166.0 162.3 3 3 A Q T 3 S+ 0 0 194 1,-0.3 -1,-0.1 -2,-0.1 70,-0.0 0.694 111.2 50.3 -63.3 -20.3 51.2 164.2 165.6 4 4 A V T 3 S+ 0 0 79 69,-0.0 -1,-0.3 2,-0.0 2,-0.1 0.593 82.7 116.6 -89.9 -16.5 47.5 163.7 164.8 5 5 A R < + 0 0 58 -3,-1.2 2,-0.3 68,-0.2 68,-0.1 -0.309 31.1 153.1 -65.4 129.6 48.1 162.1 161.3 6 6 A Q - 0 0 160 66,-0.4 3,-0.1 -2,-0.1 -3,-0.0 -0.899 67.8 -7.3-156.9 127.7 46.9 158.5 160.9 7 7 A N S S+ 0 0 97 -2,-0.3 2,-0.6 1,-0.2 -2,-0.0 0.804 90.6 134.3 59.3 34.3 45.8 156.7 157.8 8 8 A Y - 0 0 11 64,-0.1 -1,-0.2 114,-0.0 2,-0.2 -0.913 45.5-147.2-121.7 103.1 45.9 159.9 155.7 9 9 A H >> - 0 0 72 -2,-0.6 4,-2.2 1,-0.1 3,-0.8 -0.471 17.7-127.5 -72.7 141.9 47.5 159.6 152.3 10 10 A S H 3> S+ 0 0 77 1,-0.3 4,-2.3 2,-0.2 5,-0.2 0.815 111.0 57.5 -49.3 -40.0 49.4 162.5 150.8 11 11 A D H 3> S+ 0 0 73 2,-0.2 4,-2.2 1,-0.2 -1,-0.3 0.871 107.0 47.4 -63.9 -39.4 47.3 162.1 147.7 12 12 A C H <> S+ 0 0 0 -3,-0.8 4,-2.6 2,-0.2 -2,-0.2 0.909 109.4 53.5 -69.8 -40.5 44.1 162.6 149.6 13 13 A E H X S+ 0 0 32 -4,-2.2 4,-1.8 1,-0.2 -2,-0.2 0.920 112.0 45.0 -55.5 -47.9 45.5 165.6 151.4 14 14 A A H X S+ 0 0 37 -4,-2.3 4,-1.9 1,-0.2 -1,-0.2 0.912 111.6 51.9 -65.6 -40.5 46.3 167.2 148.1 15 15 A A H X S+ 0 0 12 -4,-2.2 4,-2.4 1,-0.2 -2,-0.2 0.872 106.3 55.3 -64.8 -33.9 42.9 166.2 146.6 16 16 A V H X S+ 0 0 0 -4,-2.6 4,-2.6 2,-0.2 -1,-0.2 0.919 106.2 51.1 -62.8 -44.0 41.2 167.8 149.6 17 17 A N H X S+ 0 0 20 -4,-1.8 4,-2.0 2,-0.2 -2,-0.2 0.901 111.0 48.6 -58.3 -41.9 43.0 171.1 148.9 18 18 A R H X S+ 0 0 158 -4,-1.9 4,-2.2 2,-0.2 -2,-0.2 0.906 110.2 50.1 -65.2 -39.0 41.8 170.9 145.3 19 19 A M H X S+ 0 0 6 -4,-2.4 4,-2.7 2,-0.2 -2,-0.2 0.909 107.0 55.7 -65.9 -40.2 38.3 170.2 146.3 20 20 A L H X S+ 0 0 3 -4,-2.6 4,-2.0 2,-0.2 -1,-0.2 0.935 109.6 47.5 -50.6 -52.1 38.5 173.3 148.7 21 21 A N H X S+ 0 0 40 -4,-2.0 4,-2.6 1,-0.2 -2,-0.2 0.913 109.6 51.7 -62.2 -42.2 39.5 175.4 145.8 22 22 A L H X S+ 0 0 37 -4,-2.2 4,-2.7 2,-0.2 -2,-0.2 0.889 108.2 51.8 -64.9 -37.7 36.7 174.0 143.5 23 23 A E H X S+ 0 0 0 -4,-2.7 4,-2.5 2,-0.2 -1,-0.2 0.901 110.5 48.5 -64.7 -38.7 34.1 174.8 146.2 24 24 A L H X S+ 0 0 16 -4,-2.0 4,-2.2 2,-0.2 -2,-0.2 0.921 111.3 50.6 -64.1 -41.8 35.4 178.4 146.4 25 25 A Y H X S+ 0 0 34 -4,-2.6 4,-2.2 2,-0.2 -2,-0.2 0.925 110.5 48.7 -61.3 -45.2 35.3 178.6 142.6 26 26 A A H X S+ 0 0 0 -4,-2.7 4,-2.3 1,-0.2 -2,-0.2 0.928 109.6 53.1 -62.4 -43.4 31.7 177.3 142.6 27 27 A S H X S+ 0 0 11 -4,-2.5 4,-1.9 1,-0.2 -1,-0.2 0.893 108.8 49.9 -53.5 -46.4 30.8 179.9 145.4 28 28 A Y H X S+ 0 0 120 -4,-2.2 4,-1.9 2,-0.2 -1,-0.2 0.898 107.8 52.7 -66.6 -38.5 32.2 182.7 143.3 29 29 A T H X S+ 0 0 7 -4,-2.2 4,-2.0 1,-0.2 -1,-0.2 0.925 109.5 49.3 -56.3 -50.3 30.2 181.6 140.2 30 30 A Y H X S+ 0 0 0 -4,-2.3 4,-2.6 1,-0.2 -1,-0.2 0.876 107.5 54.7 -63.0 -35.5 27.0 181.7 142.1 31 31 A S H X S+ 0 0 43 -4,-1.9 4,-2.3 1,-0.2 -1,-0.2 0.878 106.4 52.2 -61.9 -39.2 27.9 185.2 143.5 32 32 A S H X S+ 0 0 28 -4,-1.9 4,-2.1 2,-0.2 -1,-0.2 0.880 108.5 50.3 -62.9 -41.6 28.3 186.3 139.9 33 33 A M H X S+ 0 0 1 -4,-2.0 4,-2.4 2,-0.2 -2,-0.2 0.929 108.4 53.2 -60.9 -46.0 24.8 184.9 139.1 34 34 A Y H X S+ 0 0 61 -4,-2.6 4,-1.3 1,-0.2 -2,-0.2 0.937 109.8 47.4 -48.7 -53.6 23.4 186.7 142.1 35 35 A A H X S+ 0 0 52 -4,-2.3 4,-0.5 1,-0.2 -1,-0.2 0.877 110.5 53.3 -64.7 -33.2 24.8 190.1 140.9 36 36 A F H >< S+ 0 0 9 -4,-2.1 3,-1.4 1,-0.2 7,-0.3 0.947 109.0 46.0 -65.5 -46.9 23.5 189.5 137.4 37 37 A F H 3< S+ 0 0 0 -4,-2.4 7,-2.3 1,-0.3 11,-0.2 0.700 108.3 59.8 -72.2 -17.1 19.9 188.9 138.4 38 38 A D H 3< S+ 0 0 73 -4,-1.3 -1,-0.3 -5,-0.2 -2,-0.2 0.531 80.5 114.6 -81.2 -12.3 20.2 192.0 140.7 39 39 A R S XX S- 0 0 105 -3,-1.4 4,-2.2 -4,-0.5 3,-2.0 -0.288 77.2-123.5 -58.9 147.4 20.9 194.2 137.7 40 40 A D T 34 S+ 0 0 153 1,-0.3 -1,-0.1 2,-0.2 -3,-0.0 0.754 113.7 51.6 -62.5 -24.4 18.3 196.8 137.0 41 41 A D T 34 S+ 0 0 98 1,-0.0 -1,-0.3 0, 0.0 -2,-0.1 0.254 121.0 32.5 -95.5 7.2 18.0 195.4 133.4 42 42 A V T <4 S+ 0 0 36 -3,-2.0 -2,-0.2 -6,-0.1 -5,-0.1 0.549 77.6 172.0-123.0 -66.2 17.5 191.9 134.7 43 43 A A < + 0 0 47 -4,-2.2 2,-0.5 -7,-0.3 -5,-0.2 0.916 19.3 141.2 60.8 54.4 15.6 192.4 138.0 44 44 A L > + 0 0 15 -7,-2.3 4,-2.4 1,-0.1 -1,-0.2 -0.804 22.8 176.8-120.5 84.1 14.7 188.9 139.1 45 45 A H H > S+ 0 0 89 -2,-0.5 4,-2.2 1,-0.2 -1,-0.1 0.774 73.3 50.3 -72.6 -32.0 15.2 189.3 142.8 46 46 A N H > S+ 0 0 21 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.893 112.3 49.1 -71.8 -37.8 14.1 185.9 144.0 47 47 A V H > S+ 0 0 0 2,-0.2 4,-1.9 1,-0.2 -2,-0.2 0.925 110.9 51.7 -56.7 -48.0 16.3 184.2 141.4 48 48 A A H X S+ 0 0 0 -4,-2.4 4,-2.3 -11,-0.2 -2,-0.2 0.930 109.5 48.8 -58.0 -43.1 19.1 186.4 142.5 49 49 A E H X S+ 0 0 79 -4,-2.2 4,-2.5 1,-0.2 -1,-0.2 0.841 105.4 57.9 -67.3 -34.6 18.6 185.4 146.1 50 50 A F H X S+ 0 0 18 -4,-2.0 4,-2.1 1,-0.2 -1,-0.2 0.925 110.0 44.1 -55.3 -51.3 18.5 181.8 145.2 51 51 A F H X S+ 0 0 0 -4,-1.9 4,-2.5 2,-0.2 -2,-0.2 0.886 110.4 54.7 -66.3 -37.4 22.0 182.1 143.7 52 52 A K H X S+ 0 0 66 -4,-2.3 4,-2.1 2,-0.2 -2,-0.2 0.920 108.4 50.0 -57.9 -46.3 23.2 184.2 146.7 53 53 A E H X S+ 0 0 120 -4,-2.5 4,-2.5 2,-0.2 -1,-0.2 0.907 110.4 49.8 -58.2 -46.9 22.1 181.4 149.1 54 54 A H H X S+ 0 0 15 -4,-2.1 4,-2.3 2,-0.2 -1,-0.2 0.888 107.2 54.9 -64.4 -34.1 23.9 178.8 147.0 55 55 A S H X S+ 0 0 3 -4,-2.5 4,-2.0 2,-0.2 -2,-0.2 0.944 109.5 46.4 -60.1 -43.7 27.0 180.9 147.0 56 56 A H H X S+ 0 0 97 -4,-2.1 4,-2.3 1,-0.2 -2,-0.2 0.916 110.2 54.7 -67.7 -40.6 27.0 181.0 150.8 57 57 A E H X S+ 0 0 38 -4,-2.5 4,-2.2 1,-0.2 -1,-0.2 0.907 109.0 47.2 -53.3 -50.5 26.4 177.2 150.9 58 58 A E H X S+ 0 0 0 -4,-2.3 4,-2.1 2,-0.2 -1,-0.2 0.879 108.7 53.7 -65.7 -35.4 29.4 176.5 148.8 59 59 A R H X S+ 0 0 113 -4,-2.0 4,-2.3 2,-0.2 -2,-0.2 0.920 108.8 50.9 -63.6 -40.9 31.6 178.8 150.9 60 60 A E H X S+ 0 0 113 -4,-2.3 4,-2.1 1,-0.2 -2,-0.2 0.893 108.2 52.2 -61.6 -40.9 30.5 176.8 154.0 61 61 A H H X S+ 0 0 18 -4,-2.2 4,-1.3 1,-0.2 -1,-0.2 0.876 107.6 51.9 -69.3 -31.1 31.4 173.6 152.2 62 62 A A H X S+ 0 0 1 -4,-2.1 4,-1.8 2,-0.2 -1,-0.2 0.915 108.3 51.1 -61.4 -48.9 34.8 175.0 151.5 63 63 A E H X S+ 0 0 82 -4,-2.3 4,-2.4 1,-0.2 -2,-0.2 0.891 104.8 57.3 -57.1 -39.4 35.3 175.9 155.1 64 64 A K H X S+ 0 0 69 -4,-2.1 4,-2.2 1,-0.2 -1,-0.2 0.870 104.6 51.5 -62.6 -35.4 34.3 172.3 156.1 65 65 A F H X S+ 0 0 0 -4,-1.3 4,-2.6 -3,-0.2 -1,-0.2 0.870 107.6 53.3 -66.3 -37.7 37.2 171.0 153.9 66 66 A M H X S+ 0 0 65 -4,-1.8 4,-2.0 2,-0.2 -2,-0.2 0.947 111.6 45.1 -56.1 -51.9 39.6 173.4 155.7 67 67 A K H X S+ 0 0 146 -4,-2.4 4,-2.2 1,-0.2 -2,-0.2 0.888 112.8 51.6 -62.6 -41.0 38.4 172.0 159.1 68 68 A Y H X S+ 0 0 2 -4,-2.2 4,-2.1 2,-0.2 6,-0.2 0.924 106.2 53.7 -59.7 -48.1 38.7 168.5 157.8 69 69 A Q H X>S+ 0 0 0 -4,-2.6 5,-2.1 1,-0.2 4,-0.7 0.938 112.1 44.5 -48.8 -54.2 42.2 168.9 156.5 70 70 A N H ><5S+ 0 0 89 -4,-2.0 3,-0.8 1,-0.2 -1,-0.2 0.888 108.3 57.0 -64.5 -38.2 43.3 170.2 159.9 71 71 A K H 3<5S+ 0 0 136 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.880 111.0 44.4 -60.6 -34.9 41.5 167.4 161.8 72 72 A R H 3<5S- 0 0 23 -4,-2.1 -66,-0.4 -3,-0.2 -1,-0.2 0.535 119.7-109.1 -83.7 -10.0 43.4 164.8 159.8 73 73 A G T <<5S+ 0 0 3 -3,-0.8 -71,-0.4 -4,-0.7 -3,-0.2 0.552 74.6 133.8 85.4 11.6 46.7 166.6 160.2 74 74 A G < - 0 0 0 -5,-2.1 2,-0.5 -6,-0.2 -1,-0.3 -0.346 55.9-113.2 -75.8 175.2 47.0 167.7 156.6 75 75 A R - 0 0 130 -2,-0.1 2,-0.2 -3,-0.1 -58,-0.1 -0.950 18.1-126.4-122.8 124.5 47.9 171.2 155.6 76 76 A V - 0 0 51 -2,-0.5 2,-0.4 -10,-0.1 -62,-0.1 -0.440 27.6-175.7 -63.6 125.1 45.6 173.7 153.9 77 77 A V - 0 0 79 -2,-0.2 2,-0.3 -63,-0.1 -2,-0.0 -0.977 11.1-154.2-128.7 116.3 47.2 175.0 150.8 78 78 A L - 0 0 112 -2,-0.4 2,-0.3 -58,-0.1 -60,-0.1 -0.630 9.9-170.1 -93.2 146.4 45.3 177.8 149.0 79 79 A Q - 0 0 135 -2,-0.3 -2,-0.0 -62,-0.2 3,-0.0 -0.853 41.8 -72.0-123.8 168.5 45.3 178.7 145.4 80 80 A D - 0 0 130 -2,-0.3 2,-0.8 1,-0.1 -1,-0.1 -0.252 45.0-125.7 -55.4 148.8 43.8 181.6 143.4 81 81 A I - 0 0 74 -57,-0.1 -1,-0.1 -3,-0.0 2,-0.1 -0.869 30.5-132.2 -96.9 110.3 40.0 181.5 143.1 82 82 A K - 0 0 136 -2,-0.8 -54,-0.1 1,-0.1 3,-0.1 -0.382 19.5-110.8 -65.6 139.3 39.4 181.8 139.3 83 83 A K - 0 0 140 1,-0.1 -1,-0.1 -2,-0.1 -54,-0.1 -0.250 47.0 -83.5 -62.3 157.9 36.8 184.2 138.2 84 84 A P - 0 0 11 0, 0.0 -1,-0.1 0, 0.0 -58,-0.0 -0.195 35.4-114.8 -63.4 162.8 33.6 182.7 136.7 85 85 A E S S+ 0 0 163 -3,-0.1 2,-0.3 2,-0.0 -2,-0.1 0.708 96.6 39.0 -71.8 -24.0 33.5 181.7 133.0 86 86 A R - 0 0 78 1,-0.1 3,-0.1 -57,-0.0 -54,-0.0 -0.948 57.6-155.8-124.8 151.9 31.0 184.3 132.1 87 87 A D S S+ 0 0 135 -2,-0.3 2,-0.3 1,-0.2 -1,-0.1 0.573 89.5 30.6 -91.2 -24.2 30.4 187.9 133.1 88 88 A E - 0 0 90 1,-0.0 -1,-0.2 -52,-0.0 -55,-0.1 -0.979 67.1-151.1-138.6 150.2 26.7 187.8 132.2 89 89 A W - 0 0 8 -2,-0.3 2,-2.1 -57,-0.1 6,-0.2 0.269 23.8-135.2-121.0 16.2 24.3 184.9 132.4 90 90 A G - 0 0 29 4,-0.1 2,-0.3 5,-0.1 -1,-0.1 -0.472 63.8 -33.7 75.8 -74.5 21.7 185.5 129.7 91 91 A N S > S- 0 0 23 -2,-2.1 4,-2.5 -3,-0.1 5,-0.2 -0.929 75.5 -72.6-168.6 177.7 18.5 184.6 131.5 92 92 A T H > S+ 0 0 0 -2,-0.3 4,-2.3 1,-0.2 5,-0.2 0.876 127.1 49.7 -58.3 -42.2 17.1 182.3 134.2 93 93 A L H > S+ 0 0 13 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.960 111.8 46.5 -62.9 -50.8 17.2 179.2 131.9 94 94 A E H > S+ 0 0 70 1,-0.2 4,-2.3 2,-0.2 -2,-0.2 0.894 113.9 50.1 -60.5 -40.4 20.8 179.8 130.8 95 95 A A H X S+ 0 0 0 -4,-2.5 4,-2.3 -6,-0.2 -1,-0.2 0.926 111.3 47.3 -63.0 -45.3 21.9 180.4 134.4 96 96 A M H X S+ 0 0 0 -4,-2.3 4,-2.6 -5,-0.2 -2,-0.2 0.890 110.2 52.9 -66.4 -34.4 20.2 177.3 135.7 97 97 A Q H X S+ 0 0 82 -4,-2.7 4,-2.0 1,-0.2 -1,-0.2 0.923 111.3 46.8 -64.5 -43.0 21.7 175.2 132.8 98 98 A A H X S+ 0 0 23 -4,-2.3 4,-2.5 -5,-0.2 -2,-0.2 0.883 111.4 51.8 -63.9 -39.7 25.2 176.6 133.9 99 99 A A H X S+ 0 0 0 -4,-2.3 4,-2.8 2,-0.2 -2,-0.2 0.910 107.6 52.8 -63.3 -42.5 24.3 175.8 137.6 100 100 A L H X S+ 0 0 43 -4,-2.6 4,-2.2 2,-0.2 -2,-0.2 0.936 111.3 45.9 -57.7 -47.7 23.4 172.2 136.6 101 101 A Q H X S+ 0 0 140 -4,-2.0 4,-2.4 1,-0.2 -2,-0.2 0.911 112.9 50.3 -61.9 -43.4 26.8 171.8 134.8 102 102 A L H X S+ 0 0 16 -4,-2.5 4,-2.8 1,-0.2 5,-0.2 0.913 110.9 48.5 -61.7 -47.1 28.6 173.3 137.8 103 103 A E H X S+ 0 0 0 -4,-2.8 4,-2.6 2,-0.2 -1,-0.2 0.884 111.9 49.1 -61.2 -40.0 26.9 171.1 140.3 104 104 A K H X S+ 0 0 122 -4,-2.2 4,-2.7 2,-0.2 -2,-0.2 0.878 110.3 51.8 -66.9 -37.0 27.7 168.0 138.1 105 105 A T H X S+ 0 0 71 -4,-2.4 4,-2.0 2,-0.2 -2,-0.2 0.935 112.5 45.0 -60.7 -49.0 31.3 169.2 137.9 106 106 A V H X S+ 0 0 0 -4,-2.8 4,-2.5 1,-0.2 -2,-0.2 0.934 112.7 52.0 -60.9 -43.0 31.5 169.5 141.7 107 107 A N H X S+ 0 0 27 -4,-2.6 4,-2.7 1,-0.2 5,-0.2 0.909 108.2 50.1 -60.6 -45.0 29.8 166.1 142.1 108 108 A Q H X S+ 0 0 102 -4,-2.7 4,-2.6 1,-0.2 -1,-0.2 0.902 110.3 50.6 -61.2 -41.1 32.3 164.4 139.7 109 109 A A H X S+ 0 0 26 -4,-2.0 4,-2.4 2,-0.2 -1,-0.2 0.921 111.7 48.0 -63.9 -42.0 35.2 165.9 141.7 110 110 A L H X S+ 0 0 0 -4,-2.5 4,-2.2 2,-0.2 -2,-0.2 0.917 112.7 48.6 -63.9 -42.1 33.6 164.6 145.0 111 111 A L H X S+ 0 0 73 -4,-2.7 4,-2.4 2,-0.2 -2,-0.2 0.901 111.0 50.2 -65.9 -41.3 33.0 161.1 143.4 112 112 A D H X S+ 0 0 92 -4,-2.6 4,-2.2 -5,-0.2 -1,-0.2 0.906 110.2 50.5 -63.2 -40.4 36.7 161.1 142.2 113 113 A L H X S+ 0 0 7 -4,-2.4 4,-2.7 2,-0.2 -2,-0.2 0.887 109.3 51.8 -61.3 -42.0 37.8 162.0 145.7 114 114 A H H X S+ 0 0 37 -4,-2.2 4,-2.5 2,-0.2 -2,-0.2 0.927 108.6 49.8 -61.4 -41.8 35.7 159.2 147.1 115 115 A K H X S+ 0 0 123 -4,-2.4 4,-2.6 2,-0.2 -2,-0.2 0.910 111.4 49.0 -65.3 -39.9 37.3 156.7 144.7 116 116 A L H X S+ 0 0 40 -4,-2.2 4,-2.4 1,-0.2 -2,-0.2 0.936 111.5 49.4 -63.5 -46.8 40.8 157.9 145.7 117 117 A A H <>S+ 0 0 0 -4,-2.7 5,-2.6 1,-0.2 4,-0.3 0.877 111.8 50.0 -60.4 -39.5 39.8 157.6 149.4 118 118 A T H ><5S+ 0 0 61 -4,-2.5 3,-1.3 2,-0.2 -1,-0.2 0.926 110.0 48.9 -62.8 -47.8 38.5 154.1 148.7 119 119 A D H 3<5S+ 0 0 97 -4,-2.6 -2,-0.2 1,-0.3 -1,-0.2 0.868 112.8 48.0 -67.2 -28.1 41.7 153.1 146.9 120 120 A K T 3<5S- 0 0 75 -4,-2.4 -1,-0.3 -5,-0.2 -2,-0.2 0.436 114.0-119.2 -92.2 8.6 43.8 154.4 149.8 121 121 A V T < 5 + 0 0 107 -3,-1.3 -3,-0.2 -4,-0.3 -2,-0.1 0.960 60.1 151.0 56.0 56.0 41.6 152.6 152.3 122 122 A D >< + 0 0 3 -5,-2.6 4,-2.1 1,-0.1 -1,-0.2 -0.772 16.6 172.3-118.5 84.9 40.5 155.7 154.1 123 123 A P H > S+ 0 0 88 0, 0.0 4,-2.7 0, 0.0 5,-0.2 0.786 75.8 60.1 -67.8 -29.7 37.0 155.0 155.5 124 124 A H H > S+ 0 0 88 2,-0.2 4,-2.2 1,-0.2 5,-0.1 0.933 108.0 44.7 -61.2 -44.2 36.9 158.3 157.5 125 125 A L H > S+ 0 0 0 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.901 112.0 52.6 -65.1 -42.9 37.2 160.3 154.3 126 126 A C H X S+ 0 0 14 -4,-2.1 4,-2.6 1,-0.2 -2,-0.2 0.944 111.2 46.7 -57.5 -48.4 34.7 158.1 152.6 127 127 A D H X S+ 0 0 86 -4,-2.7 4,-2.8 1,-0.2 5,-0.3 0.874 109.3 54.7 -60.7 -39.9 32.2 158.7 155.4 128 128 A F H X S+ 0 0 25 -4,-2.2 4,-2.1 2,-0.2 5,-0.4 0.935 111.3 44.5 -60.0 -46.9 32.8 162.4 155.4 129 129 A L H X>S+ 0 0 0 -4,-2.3 5,-2.7 1,-0.2 4,-1.9 0.922 117.6 44.6 -63.3 -47.7 32.1 162.7 151.7 130 130 A E H <>S+ 0 0 102 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142 A K H X S+ 0 0 123 -4,-2.3 4,-2.6 -5,-0.2 -1,-0.2 0.902 111.0 48.6 -61.2 -47.3 17.6 167.3 141.2 143 143 A R H X S+ 0 0 98 -4,-2.3 4,-2.1 2,-0.2 -1,-0.2 0.916 112.0 48.0 -63.8 -41.4 16.2 170.6 142.2 144 144 A I H X S+ 0 0 1 -4,-2.3 4,-2.6 2,-0.2 -2,-0.2 0.925 112.1 50.3 -66.1 -41.0 18.0 172.5 139.4 145 145 A G H X S+ 0 0 22 -4,-2.6 4,-2.5 1,-0.2 -2,-0.2 0.933 108.8 51.5 -58.9 -44.0 16.9 169.9 136.9 146 146 A D H X S+ 0 0 64 -4,-2.6 4,-2.1 1,-0.2 -1,-0.2 0.894 110.7 49.7 -55.4 -47.2 13.3 170.3 138.1 147 147 A F H X S+ 0 0 11 -4,-2.1 4,-2.7 2,-0.2 -2,-0.2 0.929 108.3 51.4 -59.8 -44.6 13.7 174.0 137.6 148 148 A I H X S+ 0 0 16 -4,-2.6 4,-2.5 2,-0.2 5,-0.2 0.917 108.9 52.5 -58.1 -46.8 15.1 173.7 134.0 149 149 A T H X S+ 0 0 77 -4,-2.5 4,-2.4 1,-0.2 -1,-0.2 0.940 111.9 45.6 -57.5 -41.1 12.1 171.5 133.2 150 150 A N H X S+ 0 0 55 -4,-2.1 4,-2.0 2,-0.2 -2,-0.2 0.862 109.4 53.8 -70.7 -37.2 9.8 174.2 134.5 151 151 A L H <>S+ 0 0 0 -4,-2.7 5,-2.4 2,-0.2 -1,-0.2 0.904 110.4 47.9 -63.3 -38.4 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52.3 -59.6 -40.2 5.9 186.3 131.3 162 162 A G H > S+ 0 0 3 -8,-0.3 4,-2.4 2,-0.2 -2,-0.2 0.915 110.0 49.1 -61.3 -46.2 6.9 182.7 132.0 163 163 A E H X S+ 0 0 29 -4,-2.0 4,-1.7 1,-0.2 -2,-0.2 0.924 110.4 50.2 -57.5 -45.8 10.3 184.0 133.4 164 164 A Y H X S+ 0 0 138 -4,-2.6 4,-1.2 1,-0.2 -2,-0.2 0.911 110.7 49.3 -57.4 -46.2 8.5 186.5 135.6 165 165 A L H X S+ 0 0 68 -4,-2.4 4,-2.3 1,-0.2 5,-0.3 0.881 105.0 57.5 -66.7 -39.0 6.2 183.8 137.0 166 166 A F H X>S+ 0 0 1 -4,-2.4 4,-2.7 1,-0.2 5,-1.0 0.908 104.7 52.7 -56.5 -44.1 9.0 181.4 137.7 167 167 A D H <5S+ 0 0 6 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.834 113.7 44.1 -61.6 -31.9 10.6 184.1 139.9 168 168 A K H <5S+ 0 0 79 -4,-1.2 -1,-0.2 -3,-0.3 -2,-0.2 0.795 128.6 20.4 -79.0 -35.8 7.4 184.5 141.8 169 169 A H H <5S+ 0 0 149 -4,-2.3 -2,-0.2 3,-0.1 -3,-0.2 0.657 119.5 47.5-111.2 -28.8 6.4 180.8 142.3 170 170 A S T <5S+ 0 0 38 -4,-2.7 2,-0.3 -5,-0.3 -3,-0.2 0.771 106.8 49.6 -93.3 -27.4 9.4 178.5 141.9 171 171 A V S