==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=29-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 07-FEB-06 2CEI . COMPND 2 MOLECULE: FERRITIN HEAVY CHAIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR L.TOUSSAINT,R.R.CRICHTON,J.P.DECLERCQ . 172 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) . 136 79.1 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 . 7 4.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 6 3.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 115 66.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 3.5 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 0 1 0 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 5 A T 0 0 171 0, 0.0 73,-0.1 0, 0.0 72,-0.1 0.000 360.0 360.0 360.0 122.7 23.9 -18.8 54.1 2 6 A S > - 0 0 21 71,-0.5 3,-1.1 1,-0.1 73,-0.0 -0.329 360.0-127.2 -59.2 142.4 21.5 -17.8 51.3 3 7 A Q T 3 S+ 0 0 196 1,-0.2 -1,-0.1 -2,-0.0 70,-0.0 0.667 112.7 48.6 -59.0 -20.8 18.1 -19.6 51.0 4 8 A V T 3 S+ 0 0 79 69,-0.1 -1,-0.2 2,-0.0 69,-0.1 0.583 82.3 118.5 -95.6 -12.5 19.1 -20.3 47.4 5 9 A R < + 0 0 66 -3,-1.1 2,-0.3 68,-0.2 68,-0.1 -0.307 32.2 156.5 -67.9 130.4 22.6 -21.7 48.0 6 10 A Q - 0 0 157 66,-0.5 3,-0.1 -2,-0.1 -3,-0.0 -0.899 65.4 -11.6-157.1 127.3 23.0 -25.3 46.9 7 11 A N S S+ 0 0 94 -2,-0.3 2,-0.7 1,-0.2 -2,-0.0 0.777 90.8 135.7 54.8 32.6 26.1 -27.3 46.0 8 12 A Y - 0 0 12 64,-0.1 -1,-0.2 4,-0.0 2,-0.1 -0.890 45.3-146.7-119.2 101.0 28.1 -24.0 45.9 9 13 A H > - 0 0 76 -2,-0.7 4,-2.4 1,-0.1 3,-0.3 -0.324 18.2-125.4 -67.4 143.6 31.5 -24.3 47.6 10 14 A Q H > S+ 0 0 143 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.864 113.6 55.2 -49.7 -38.3 33.1 -21.4 49.4 11 15 A D H > S+ 0 0 73 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.879 107.5 49.5 -67.7 -37.4 36.2 -21.8 47.2 12 16 A S H > S+ 0 0 0 -3,-0.3 4,-2.8 2,-0.2 -2,-0.2 0.938 110.0 50.9 -63.2 -46.8 34.0 -21.5 44.0 13 17 A E H X S+ 0 0 27 -4,-2.4 4,-1.9 1,-0.2 -2,-0.2 0.920 112.5 46.9 -55.9 -46.0 32.4 -18.3 45.4 14 18 A A H X S+ 0 0 40 -4,-2.4 4,-1.9 1,-0.2 -1,-0.2 0.910 111.0 50.8 -63.4 -43.1 35.8 -16.8 46.1 15 19 A A H X S+ 0 0 6 -4,-2.3 4,-2.4 1,-0.2 -2,-0.2 0.880 106.8 54.7 -66.0 -37.9 37.1 -17.8 42.7 16 20 A I H X S+ 0 0 0 -4,-2.8 4,-2.6 1,-0.2 -1,-0.2 0.920 107.3 51.2 -61.1 -42.5 34.1 -16.1 41.0 17 21 A N H X S+ 0 0 21 -4,-1.9 4,-2.0 2,-0.2 -2,-0.2 0.891 110.1 48.4 -61.1 -41.2 34.9 -12.9 42.9 18 22 A R H X S+ 0 0 161 -4,-1.9 4,-2.0 2,-0.2 -1,-0.2 0.916 111.3 51.1 -65.5 -37.3 38.5 -13.0 41.7 19 23 A Q H X S+ 0 0 1 -4,-2.4 4,-2.4 2,-0.2 5,-0.2 0.910 105.3 55.5 -68.9 -38.4 37.3 -13.6 38.1 20 24 A I H X S+ 0 0 2 -4,-2.6 4,-2.1 1,-0.2 -1,-0.2 0.948 109.5 47.5 -55.5 -47.1 34.9 -10.6 38.4 21 25 A N H X S+ 0 0 39 -4,-2.0 4,-2.6 1,-0.2 -1,-0.2 0.888 110.0 51.6 -59.3 -43.7 37.9 -8.5 39.3 22 26 A L H X S+ 0 0 39 -4,-2.0 4,-2.5 2,-0.2 -1,-0.2 0.864 108.7 50.7 -65.4 -37.0 40.0 -9.8 36.4 23 27 A E H X S+ 0 0 0 -4,-2.4 4,-2.3 2,-0.2 -1,-0.2 0.911 111.9 48.2 -65.5 -42.1 37.2 -9.1 33.8 24 28 A L H X S+ 0 0 24 -4,-2.1 4,-2.1 -5,-0.2 -2,-0.2 0.896 110.0 51.7 -62.0 -45.5 37.0 -5.6 35.1 25 29 A Y H X S+ 0 0 43 -4,-2.6 4,-2.4 2,-0.2 -2,-0.2 0.933 109.3 50.0 -55.9 -48.2 40.8 -5.3 34.9 26 30 A A H X S+ 0 0 0 -4,-2.5 4,-2.3 1,-0.2 5,-0.2 0.902 107.8 54.1 -57.4 -42.4 40.6 -6.5 31.3 27 31 A S H X S+ 0 0 18 -4,-2.3 4,-2.0 1,-0.2 -1,-0.2 0.907 110.3 47.8 -54.3 -43.7 37.8 -3.9 30.6 28 32 A Y H X S+ 0 0 103 -4,-2.1 4,-2.7 2,-0.2 -2,-0.2 0.896 108.2 53.1 -65.2 -44.2 40.3 -1.2 32.0 29 33 A V H X S+ 0 0 6 -4,-2.4 4,-2.8 1,-0.2 -2,-0.2 0.947 112.5 44.9 -57.1 -48.1 43.2 -2.4 29.9 30 34 A Y H X S+ 0 0 3 -4,-2.3 4,-2.9 1,-0.2 -1,-0.2 0.859 110.3 54.3 -69.3 -35.3 41.2 -2.1 26.7 31 35 A L H X S+ 0 0 65 -4,-2.0 4,-2.0 -5,-0.2 -1,-0.2 0.935 110.7 46.7 -58.5 -47.1 39.8 1.3 27.8 32 36 A S H X S+ 0 0 31 -4,-2.7 4,-1.7 1,-0.2 -2,-0.2 0.930 113.4 48.5 -60.9 -47.1 43.4 2.5 28.2 33 37 A M H X S+ 0 0 0 -4,-2.8 4,-1.8 1,-0.2 5,-0.2 0.939 107.5 56.5 -58.4 -48.3 44.4 1.0 24.8 34 38 A S H X S+ 0 0 4 -4,-2.9 4,-0.7 1,-0.2 3,-0.3 0.925 110.5 42.1 -49.3 -53.7 41.3 2.6 23.1 35 39 A Y H < S+ 0 0 125 -4,-2.0 4,-0.4 1,-0.2 -1,-0.2 0.760 105.3 64.4 -75.7 -21.5 42.2 6.1 24.1 36 40 A Y H >< S+ 0 0 19 -4,-1.7 3,-1.4 1,-0.2 7,-0.3 0.940 104.9 46.4 -56.5 -47.9 45.9 5.6 23.3 37 41 A F H 3< S+ 0 0 0 -4,-1.8 7,-2.0 -3,-0.3 11,-0.2 0.683 105.4 62.2 -72.7 -15.1 44.9 5.1 19.6 38 42 A D T 3< S+ 0 0 102 -4,-0.7 -1,-0.3 -5,-0.2 -2,-0.2 0.538 78.7 113.3 -81.1 -12.8 42.7 8.2 20.0 39 43 A R S X> S- 0 0 95 -3,-1.4 4,-2.5 -4,-0.4 3,-1.7 -0.313 77.4-123.7 -61.2 146.0 45.8 10.4 20.7 40 44 A D T 34 S+ 0 0 150 1,-0.3 -1,-0.1 2,-0.2 -3,-0.0 0.727 112.3 53.8 -62.8 -21.8 46.6 13.0 18.1 41 45 A D T 34 S+ 0 0 98 1,-0.0 -1,-0.3 0, 0.0 -2,-0.1 0.240 120.9 30.5-100.5 13.8 50.2 11.5 17.7 42 46 A V T <4 S+ 0 0 34 -3,-1.7 -2,-0.2 -5,-0.1 -5,-0.1 0.538 78.5 174.3-126.2 -65.0 48.8 8.0 17.1 43 47 A A < + 0 0 61 -4,-2.5 2,-0.6 -7,-0.3 -5,-0.2 0.844 18.4 144.9 64.1 47.0 45.5 8.6 15.4 44 48 A L > - 0 0 15 -7,-2.0 4,-2.4 -5,-0.1 3,-0.2 -0.827 22.8-177.9-114.3 88.6 44.3 5.1 14.5 45 49 A K H > S+ 0 0 166 -2,-0.6 4,-2.5 1,-0.2 -1,-0.1 0.743 78.1 50.2 -64.3 -33.3 40.5 5.5 15.0 46 50 A N H > S+ 0 0 30 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.860 109.6 50.5 -78.6 -33.1 39.5 1.9 14.1 47 51 A F H > S+ 0 0 0 2,-0.2 4,-2.5 -3,-0.2 5,-0.3 0.943 112.9 49.0 -58.3 -48.3 42.1 0.5 16.6 48 52 A A H X S+ 0 0 10 -4,-2.4 4,-2.3 -11,-0.2 -2,-0.2 0.939 114.0 44.8 -55.6 -49.5 40.5 3.0 19.1 49 53 A K H X S+ 0 0 148 -4,-2.5 4,-2.4 2,-0.2 -1,-0.2 0.887 112.2 52.7 -61.3 -42.6 37.0 1.7 18.2 50 54 A Y H X S+ 0 0 31 -4,-2.7 4,-2.1 1,-0.2 -2,-0.2 0.948 112.6 42.9 -61.4 -50.5 38.0 -1.9 18.3 51 55 A F H X S+ 0 0 0 -4,-2.5 4,-2.6 1,-0.2 -1,-0.2 0.864 111.5 55.0 -68.3 -33.5 39.5 -1.7 21.7 52 56 A L H X S+ 0 0 44 -4,-2.3 4,-2.5 -5,-0.3 -1,-0.2 0.929 107.1 50.8 -63.4 -42.3 36.6 0.4 23.0 53 57 A H H X S+ 0 0 112 -4,-2.4 4,-2.4 1,-0.2 -2,-0.2 0.934 111.0 48.2 -58.7 -46.1 34.2 -2.3 21.9 54 58 A Q H X S+ 0 0 26 -4,-2.1 4,-2.5 2,-0.2 -2,-0.2 0.905 108.4 55.7 -60.7 -40.5 36.3 -5.0 23.7 55 59 A S H X S+ 0 0 6 -4,-2.6 4,-1.9 1,-0.2 -2,-0.2 0.943 110.1 44.6 -57.5 -48.7 36.4 -2.7 26.9 56 60 A H H X S+ 0 0 113 -4,-2.5 4,-2.0 1,-0.2 -1,-0.2 0.907 111.9 52.8 -62.6 -40.7 32.6 -2.6 26.9 57 61 A E H X S+ 0 0 56 -4,-2.4 4,-2.1 1,-0.2 -1,-0.2 0.884 106.5 52.7 -62.8 -40.4 32.4 -6.3 26.3 58 62 A E H X S+ 0 0 4 -4,-2.5 4,-2.3 2,-0.2 -1,-0.2 0.896 106.5 53.9 -59.4 -41.3 34.7 -7.1 29.2 59 63 A R H X S+ 0 0 129 -4,-1.9 4,-2.4 1,-0.2 -1,-0.2 0.917 107.7 49.7 -61.6 -41.4 32.5 -5.1 31.5 60 64 A E H X S+ 0 0 106 -4,-2.0 4,-2.3 2,-0.2 -1,-0.2 0.889 107.6 54.6 -65.0 -37.0 29.5 -7.2 30.4 61 65 A H H X S+ 0 0 23 -4,-2.1 4,-1.5 2,-0.2 -2,-0.2 0.907 109.0 48.5 -58.2 -44.5 31.5 -10.4 31.1 62 66 A A H X S+ 0 0 0 -4,-2.3 4,-2.0 1,-0.2 -2,-0.2 0.927 110.3 51.3 -60.7 -45.8 32.1 -9.0 34.7 63 67 A E H X S+ 0 0 69 -4,-2.4 4,-2.5 1,-0.2 -2,-0.2 0.884 106.3 53.6 -60.5 -40.0 28.4 -8.2 35.0 64 68 A K H X S+ 0 0 82 -4,-2.3 4,-2.4 1,-0.2 -1,-0.2 0.872 109.0 50.2 -63.7 -38.2 27.4 -11.8 34.0 65 69 A L H X S+ 0 0 0 -4,-1.5 4,-2.5 2,-0.2 -2,-0.2 0.874 109.1 51.1 -64.9 -38.6 29.7 -13.2 36.7 66 70 A M H X S+ 0 0 51 -4,-2.0 4,-2.1 2,-0.2 -2,-0.2 0.922 110.4 49.5 -65.5 -40.3 28.1 -10.9 39.3 67 71 A K H X S+ 0 0 130 -4,-2.5 4,-2.6 1,-0.2 -2,-0.2 0.950 110.7 49.6 -60.9 -46.3 24.7 -12.2 38.2 68 72 A L H X S+ 0 0 0 -4,-2.4 4,-2.3 2,-0.2 6,-0.3 0.899 107.3 55.4 -56.5 -48.2 26.0 -15.8 38.5 69 73 A Q H X>S+ 0 0 0 -4,-2.5 5,-2.2 1,-0.2 4,-0.6 0.952 113.2 40.9 -52.8 -50.3 27.3 -15.1 42.0 70 74 A N H ><5S+ 0 0 88 -4,-2.1 3,-0.6 1,-0.2 -1,-0.2 0.862 110.4 58.3 -67.8 -36.9 23.9 -13.9 43.2 71 75 A Q H 3<5S+ 0 0 109 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.873 110.6 43.5 -56.9 -41.1 22.1 -16.7 41.3 72 76 A R H 3<5S- 0 0 24 -4,-2.3 -66,-0.5 -3,-0.2 -1,-0.2 0.516 119.0-109.9 -86.3 -6.1 24.1 -19.2 43.3 73 77 A G T <<5S+ 0 0 2 -3,-0.6 -71,-0.5 -4,-0.6 -3,-0.2 0.588 72.2 138.8 85.9 8.3 23.6 -17.4 46.6 74 78 A G < - 0 0 0 -5,-2.2 2,-0.5 -6,-0.3 -1,-0.2 -0.208 54.0-115.6 -69.0 171.7 27.2 -16.3 46.8 75 79 A R - 0 0 121 -3,-0.1 2,-0.2 2,-0.0 -58,-0.1 -0.951 21.4-128.4-121.2 122.1 28.2 -12.9 48.0 76 80 A I - 0 0 42 -2,-0.5 2,-0.5 -10,-0.1 -62,-0.1 -0.424 23.6-173.5 -67.8 129.6 30.0 -10.4 45.7 77 81 A F - 0 0 137 -2,-0.2 2,-0.2 -63,-0.1 -1,-0.0 -0.963 11.2-153.6-129.3 112.6 33.1 -8.9 47.1 78 82 A L - 0 0 103 -2,-0.5 2,-0.3 -58,-0.1 -60,-0.1 -0.580 8.9-167.5 -87.1 147.8 34.7 -6.3 45.0 79 83 A Q - 0 0 135 -2,-0.2 -2,-0.0 -62,-0.2 -1,-0.0 -0.819 39.1 -74.2-125.0 163.4 38.3 -5.3 44.9 80 84 A D - 0 0 124 -2,-0.3 2,-0.8 1,-0.1 -1,-0.1 -0.269 42.7-125.4 -52.9 146.1 40.2 -2.4 43.4 81 85 A I - 0 0 78 -57,-0.1 -1,-0.1 -3,-0.0 2,-0.1 -0.878 31.2-133.8 -96.6 113.4 40.5 -2.4 39.7 82 86 A Q - 0 0 117 -2,-0.8 -54,-0.1 1,-0.1 3,-0.1 -0.370 18.0-109.1 -69.0 143.4 44.3 -2.0 39.1 83 87 A K - 0 0 113 1,-0.1 -1,-0.1 -2,-0.1 -54,-0.1 -0.360 47.0 -94.4 -63.2 150.2 45.5 0.5 36.5 84 88 A P - 0 0 9 0, 0.0 -1,-0.1 0, 0.0 -58,-0.0 -0.267 30.9-111.3 -62.3 156.7 47.0 -1.3 33.4 85 89 A D S S+ 0 0 145 -3,-0.1 2,-0.3 2,-0.0 -2,-0.1 0.782 98.1 52.1 -53.8 -33.9 50.8 -2.0 33.3 86 90 A C + 0 0 44 1,-0.1 3,-0.1 3,-0.0 -54,-0.0 -0.841 43.6 179.1-115.3 148.4 51.2 0.6 30.4 87 91 A D S S+ 0 0 125 -2,-0.3 2,-0.5 1,-0.3 -1,-0.1 0.667 90.0 44.4-100.9 -36.4 50.2 4.2 29.8 88 92 A D - 0 0 76 1,-0.1 -1,-0.3 -52,-0.0 -55,-0.1 -0.944 67.1-167.0-113.0 122.6 51.8 4.3 26.3 89 93 A W - 0 0 10 -2,-0.5 2,-1.7 -3,-0.1 9,-0.1 0.367 23.2-144.4-100.0 2.6 51.1 1.2 24.2 90 94 A E - 0 0 137 4,-0.1 2,-0.3 5,-0.1 -1,-0.1 -0.291 61.0 -8.9 83.1 -53.1 53.8 1.9 21.6 91 95 A S S > S- 0 0 14 -2,-1.7 4,-2.3 1,-0.1 5,-0.2 -0.958 71.8 -96.4-169.7 161.0 52.1 0.7 18.2 92 96 A G H > S+ 0 0 0 -2,-0.3 4,-2.5 2,-0.2 5,-0.2 0.902 124.1 50.8 -55.4 -45.3 49.0 -1.2 17.0 93 97 A L H > S+ 0 0 9 1,-0.2 4,-2.8 2,-0.2 -1,-0.2 0.943 109.8 49.0 -61.5 -46.5 51.1 -4.4 16.8 94 98 A N H > S+ 0 0 30 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.904 111.2 49.8 -61.2 -42.0 52.3 -4.0 20.4 95 99 A A H X S+ 0 0 0 -4,-2.3 4,-2.8 2,-0.2 -1,-0.2 0.920 111.2 49.2 -60.7 -44.1 48.8 -3.3 21.7 96 100 A M H X S+ 0 0 0 -4,-2.5 4,-2.4 2,-0.2 -2,-0.2 0.898 111.1 49.9 -63.4 -41.7 47.5 -6.4 19.8 97 101 A E H X S+ 0 0 62 -4,-2.8 4,-2.4 2,-0.2 -2,-0.2 0.917 111.9 48.4 -59.2 -45.4 50.4 -8.5 21.3 98 102 A C H X S+ 0 0 36 -4,-2.7 4,-2.6 2,-0.2 -2,-0.2 0.895 110.7 50.6 -62.4 -43.2 49.5 -7.2 24.8 99 103 A A H X S+ 0 0 0 -4,-2.8 4,-2.8 2,-0.2 -2,-0.2 0.910 108.8 51.7 -59.4 -44.8 45.8 -8.0 24.2 100 104 A L H X S+ 0 0 39 -4,-2.4 4,-2.2 2,-0.2 -2,-0.2 0.938 111.6 47.6 -56.4 -48.7 46.8 -11.6 23.2 101 105 A H H X S+ 0 0 122 -4,-2.4 4,-2.2 1,-0.2 -2,-0.2 0.923 112.0 50.3 -57.6 -48.9 48.8 -11.9 26.4 102 106 A L H X S+ 0 0 13 -4,-2.6 4,-2.6 1,-0.2 -2,-0.2 0.925 110.4 48.7 -52.0 -51.6 45.9 -10.5 28.4 103 107 A E H X S+ 0 0 4 -4,-2.8 4,-2.5 1,-0.2 -1,-0.2 0.857 108.6 52.8 -67.4 -35.8 43.4 -12.9 26.9 104 108 A K H X S+ 0 0 126 -4,-2.2 4,-2.7 -5,-0.2 -1,-0.2 0.911 110.0 49.0 -65.1 -40.2 45.6 -15.9 27.5 105 109 A N H X S+ 0 0 81 -4,-2.2 4,-2.4 2,-0.2 -2,-0.2 0.918 111.7 48.8 -60.6 -44.8 46.0 -14.9 31.2 106 110 A V H X S+ 0 0 0 -4,-2.6 4,-2.4 2,-0.2 -2,-0.2 0.916 111.9 50.1 -59.9 -41.7 42.1 -14.5 31.4 107 111 A N H X S+ 0 0 29 -4,-2.5 4,-2.9 2,-0.2 5,-0.2 0.923 107.6 52.7 -61.6 -45.9 41.8 -17.9 29.8 108 112 A Q H X S+ 0 0 99 -4,-2.7 4,-2.1 1,-0.2 -2,-0.2 0.937 109.9 49.3 -56.6 -46.9 44.2 -19.5 32.2 109 113 A S H X S+ 0 0 29 -4,-2.4 4,-2.4 1,-0.2 -1,-0.2 0.915 111.2 49.2 -55.7 -46.2 42.1 -18.0 35.1 110 114 A L H X S+ 0 0 0 -4,-2.4 4,-2.5 2,-0.2 -2,-0.2 0.890 108.8 52.5 -63.7 -39.3 38.9 -19.4 33.6 111 115 A L H X S+ 0 0 74 -4,-2.9 4,-2.3 2,-0.2 -1,-0.2 0.878 110.2 48.8 -63.5 -37.4 40.5 -22.9 33.1 112 116 A E H X S+ 0 0 115 -4,-2.1 4,-2.3 -5,-0.2 -2,-0.2 0.892 110.5 50.5 -67.9 -37.1 41.5 -22.8 36.8 113 117 A L H X S+ 0 0 5 -4,-2.4 4,-2.1 2,-0.2 -2,-0.2 0.918 110.7 49.7 -65.5 -40.3 38.0 -21.8 37.8 114 118 A H H X S+ 0 0 42 -4,-2.5 4,-2.2 2,-0.2 -2,-0.2 0.923 108.6 52.0 -65.7 -42.0 36.7 -24.7 35.6 115 119 A K H X S+ 0 0 125 -4,-2.3 4,-3.2 1,-0.2 -2,-0.2 0.926 108.4 52.5 -57.8 -43.4 39.2 -27.2 37.4 116 120 A L H X S+ 0 0 31 -4,-2.3 4,-2.4 1,-0.2 -1,-0.2 0.914 107.2 51.6 -58.1 -44.2 37.8 -26.0 40.7 117 121 A A H <>S+ 0 0 1 -4,-2.1 5,-2.9 2,-0.2 -1,-0.2 0.889 111.8 46.7 -57.4 -44.9 34.2 -26.7 39.5 118 122 A T H ><5S+ 0 0 73 -4,-2.2 3,-1.9 3,-0.2 -2,-0.2 0.959 112.6 50.1 -59.5 -52.2 35.2 -30.2 38.5 119 123 A D H 3<5S+ 0 0 83 -4,-3.2 -2,-0.2 1,-0.3 -1,-0.2 0.820 115.0 43.4 -60.1 -34.3 37.1 -30.7 41.9 120 124 A K T 3<5S- 0 0 70 -4,-2.4 -1,-0.3 -5,-0.2 -2,-0.2 0.277 111.1-120.2 -93.8 9.0 34.0 -29.5 43.8 121 125 A N T < 5 + 0 0 127 -3,-1.9 -3,-0.2 1,-0.2 -2,-0.1 0.947 60.4 150.0 50.6 55.9 31.5 -31.5 41.7 122 126 A D >< + 0 0 3 -5,-2.9 4,-2.3 1,-0.1 -1,-0.2 -0.790 16.2 170.4-119.4 84.1 29.7 -28.3 40.5 123 127 A P H > S+ 0 0 93 0, 0.0 4,-2.7 0, 0.0 5,-0.2 0.799 76.1 61.3 -71.7 -23.3 28.3 -29.1 37.1 124 128 A H H > S+ 0 0 89 2,-0.2 4,-2.4 1,-0.2 5,-0.1 0.942 109.9 42.3 -63.7 -42.2 26.2 -25.9 37.0 125 129 A L H > S+ 0 0 0 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.893 111.0 55.1 -69.1 -42.0 29.4 -23.9 37.3 126 130 A C H X S+ 0 0 27 -4,-2.3 4,-2.9 1,-0.2 5,-0.2 0.960 111.8 45.1 -51.4 -51.6 31.2 -26.1 34.8 127 131 A D H X S+ 0 0 84 -4,-2.7 4,-3.3 1,-0.2 5,-0.4 0.872 110.1 53.8 -61.8 -43.7 28.4 -25.4 32.3 128 132 A F H X S+ 0 0 12 -4,-2.4 4,-2.4 2,-0.2 5,-0.3 0.937 114.4 41.2 -56.4 -49.1 28.4 -21.7 33.0 129 133 A I H X>S+ 0 0 0 -4,-2.6 5,-2.4 2,-0.2 4,-1.9 0.933 119.0 45.0 -68.6 -46.1 32.1 -21.4 32.3 130 134 A E H <>S+ 0 0 97 -4,-2.9 5,-0.8 -5,-0.2 -2,-0.2 0.910 119.8 40.8 -59.7 -48.0 32.0 -23.8 29.3 131 135 A T H <5S+ 0 0 83 -4,-3.3 -2,-0.2 -5,-0.2 -3,-0.2 0.908 128.8 24.2 -71.9 -45.1 29.0 -22.2 27.7 132 136 A H H <5S+ 0 0 71 -4,-2.4 -3,-0.2 -5,-0.4 -2,-0.2 0.634 132.3 20.5-101.1 -13.4 29.6 -18.5 28.4 133 137 A Y T X5S+ 0 0 2 -4,-1.9 4,-2.2 -5,-0.3 -3,-0.2 0.749 104.3 62.7-128.3 -44.3 33.4 -18.1 28.7 134 138 A L H > S+ 0 0 66 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.915 109.4 48.9 -59.5 -40.5 34.6 -16.7 23.8 137 141 A Q H X S+ 0 0 2 -4,-2.2 4,-2.6 2,-0.2 -2,-0.2 0.927 111.1 47.8 -64.4 -47.3 38.2 -16.9 25.1 138 142 A V H X S+ 0 0 79 -4,-2.1 4,-2.3 1,-0.2 5,-0.2 0.912 113.8 48.5 -61.6 -43.6 39.3 -19.3 22.3 139 143 A K H X S+ 0 0 99 -4,-2.9 4,-2.6 2,-0.2 -2,-0.2 0.934 112.1 48.1 -62.5 -45.2 37.7 -17.0 19.7 140 144 A A H X S+ 0 0 27 -4,-2.6 4,-2.6 -5,-0.2 -2,-0.2 0.932 112.9 48.0 -60.1 -45.6 39.2 -13.9 21.1 141 145 A I H X S+ 0 0 32 -4,-2.6 4,-2.4 2,-0.2 -1,-0.2 0.910 112.6 48.3 -64.2 -41.6 42.7 -15.4 21.3 142 146 A K H X S+ 0 0 126 -4,-2.3 4,-2.6 -5,-0.2 -1,-0.2 0.927 112.5 49.0 -64.6 -45.7 42.5 -16.7 17.7 143 147 A E H X S+ 0 0 83 -4,-2.6 4,-2.3 -5,-0.2 -2,-0.2 0.938 112.7 46.8 -60.1 -47.2 41.3 -13.3 16.5 144 148 A L H X S+ 0 0 2 -4,-2.6 4,-2.6 2,-0.2 -2,-0.2 0.910 111.3 51.6 -63.1 -40.1 44.1 -11.5 18.3 145 149 A G H X S+ 0 0 20 -4,-2.4 4,-2.7 1,-0.2 -1,-0.2 0.918 109.2 51.1 -61.1 -43.1 46.7 -14.0 16.9 146 150 A D H X S+ 0 0 67 -4,-2.6 4,-2.5 1,-0.2 -2,-0.2 0.923 111.0 48.4 -60.2 -43.9 45.4 -13.4 13.4 147 151 A H H X S+ 0 0 17 -4,-2.3 4,-2.6 2,-0.2 -2,-0.2 0.922 111.5 49.1 -63.5 -44.7 45.7 -9.6 13.9 148 152 A V H X S+ 0 0 2 -4,-2.6 4,-2.7 1,-0.2 5,-0.2 0.944 111.9 49.7 -59.0 -48.8 49.3 -9.9 15.2 149 153 A T H X S+ 0 0 60 -4,-2.7 4,-3.0 2,-0.2 -2,-0.2 0.930 111.9 46.8 -59.7 -49.0 50.2 -12.1 12.3 150 154 A N H X S+ 0 0 78 -4,-2.5 4,-2.2 2,-0.2 6,-0.2 0.947 113.2 48.7 -57.7 -47.0 48.8 -9.7 9.7 151 155 A L H X>S+ 0 0 0 -4,-2.6 5,-2.8 2,-0.2 4,-0.6 0.920 113.6 46.2 -62.4 -46.7 50.4 -6.7 11.3 152 156 A R H ><5S+ 0 0 135 -4,-2.7 3,-1.5 -5,-0.2 -1,-0.2 0.965 113.6 49.1 -57.6 -51.8 53.8 -8.5 11.5 153 157 A K H 3<5S+ 0 0 181 -4,-3.0 -2,-0.2 1,-0.3 -1,-0.2 0.797 108.0 54.9 -59.7 -30.8 53.5 -9.8 7.9 154 158 A M H 3<5S- 0 0 76 -4,-2.2 -1,-0.3 -5,-0.2 -2,-0.2 0.601 126.7 -98.5 -78.6 -12.9 52.6 -6.2 6.6 155 159 A G T S+ 0 0 52 -2,-1.0 4,-2.6 2,-0.2 -1,-0.2 0.811 86.9 61.5 -64.4 -30.8 53.3 3.2 9.9 161 165 A L H > S+ 0 0 117 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.890 101.6 52.3 -55.5 -44.5 51.8 2.6 6.5 162 166 A A H > S+ 0 0 3 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.943 111.1 44.4 -59.8 -49.8 51.1 -1.0 7.5 163 167 A E H X S+ 0 0 15 -4,-1.7 4,-2.4 1,-0.2 -1,-0.2 0.916 113.2 52.2 -65.4 -41.9 49.3 -0.0 10.7 164 168 A Y H X S+ 0 0 126 -4,-2.6 4,-1.7 1,-0.2 -1,-0.2 0.934 112.3 44.5 -54.1 -52.0 47.3 2.6 8.8 165 169 A L H X S+ 0 0 68 -4,-2.6 4,-3.0 1,-0.2 5,-0.3 0.881 112.6 51.5 -66.0 -35.1 46.2 0.1 6.2 166 170 A F H X>S+ 0 0 2 -4,-2.6 4,-2.3 1,-0.2 5,-2.0 0.897 105.7 55.5 -66.1 -43.4 45.3 -2.5 8.7 167 171 A D H <5S+ 0 0 2 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.913 117.1 36.7 -54.8 -42.2 43.2 -0.0 10.7 168 172 A K H <5S+ 0 0 73 -4,-1.7 4,-0.2 -5,-0.2 -2,-0.2 0.907 124.5 35.9 -77.5 -45.2 41.2 0.7 7.5 169 173 A H H <5S+ 0 0 162 -4,-3.0 -3,-0.2 3,-0.2 -2,-0.2 0.697 131.6 21.9 -90.5 -24.3 41.0 -2.8 5.9 170 174 A T T <5S+ 0 0 72 -4,-2.3 -3,-0.2 -5,-0.3 -2,-0.1 0.773 133.7 31.5-105.3 -46.2 40.7 -5.1 8.9 171 175 A L < 0 0 22 -5,-2.0 -3,-0.2 0, 0.0 -4,-0.1 0.475 360.0 360.0 -92.7 -0.5 39.4 -2.9 11.7 172 176 A G 0 0 77 -6,-0.3 -3,-0.2 -4,-0.2 -4,-0.1 0.683 360.0 360.0 -92.0 360.0 37.3 -0.6 9.6