==== 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 15-MAR-06 2CHI . 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) . 9742.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 134 77.9 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 . 5 2.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 7 4.1 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 0 167 0, 0.0 73,-0.1 0, 0.0 72,-0.1 0.000 360.0 360.0 360.0 134.5 23.7 -19.3 54.4 2 6 A S > - 0 0 24 71,-0.4 3,-0.9 1,-0.1 72,-0.0 -0.373 360.0-127.4 -57.8 141.2 21.6 -18.0 51.4 3 7 A Q T 3 S+ 0 0 197 1,-0.2 -1,-0.1 -2,-0.1 70,-0.0 0.689 111.8 47.8 -60.8 -20.4 18.2 -19.6 51.0 4 8 A V T 3 S+ 0 0 76 69,-0.0 -1,-0.2 2,-0.0 69,-0.1 0.650 82.7 118.4 -93.8 -15.7 19.2 -20.3 47.4 5 9 A R < + 0 0 67 -3,-0.9 2,-0.3 68,-0.2 68,-0.1 -0.270 31.7 157.0 -64.5 131.7 22.6 -21.8 48.1 6 10 A Q - 0 0 157 66,-0.5 3,-0.1 3,-0.0 -3,-0.0 -0.915 66.0 -13.2-157.7 121.6 23.1 -25.4 46.9 7 11 A N S S+ 0 0 94 -2,-0.3 2,-0.6 1,-0.2 -2,-0.0 0.792 90.3 135.6 59.2 33.4 26.2 -27.3 46.0 8 12 A Y - 0 0 10 64,-0.1 -1,-0.2 117,-0.0 2,-0.1 -0.925 45.4-146.4-119.9 106.1 28.3 -24.1 45.9 9 13 A H >> - 0 0 69 -2,-0.6 4,-2.1 1,-0.1 3,-0.5 -0.419 18.0-126.1 -75.5 147.0 31.6 -24.3 47.6 10 14 A Q H 3> S+ 0 0 145 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.832 113.0 57.6 -56.4 -30.6 33.1 -21.3 49.4 11 15 A D H 3> S+ 0 0 66 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.884 106.8 48.1 -67.0 -38.4 36.3 -21.8 47.3 12 16 A S H <> S+ 0 0 0 -3,-0.5 4,-2.6 2,-0.2 -2,-0.2 0.923 109.8 52.3 -65.5 -46.3 34.2 -21.5 44.1 13 17 A E H X S+ 0 0 29 -4,-2.1 4,-1.9 1,-0.2 -2,-0.2 0.910 112.0 46.0 -55.2 -47.4 32.5 -18.3 45.5 14 18 A A H X S+ 0 0 41 -4,-2.3 4,-2.1 2,-0.2 -1,-0.2 0.916 111.3 51.7 -64.7 -41.1 36.0 -16.8 46.3 15 19 A A H X S+ 0 0 7 -4,-2.4 4,-2.3 1,-0.2 -2,-0.2 0.881 107.2 53.6 -64.0 -37.3 37.3 -17.8 42.8 16 20 A I H X S+ 0 0 0 -4,-2.6 4,-2.6 2,-0.2 -1,-0.2 0.923 107.0 51.5 -64.6 -40.8 34.3 -16.1 41.2 17 21 A N H X S+ 0 0 23 -4,-1.9 4,-1.9 1,-0.2 -2,-0.2 0.916 109.8 49.7 -62.7 -39.1 35.0 -12.9 43.0 18 22 A R H X S+ 0 0 160 -4,-2.1 4,-2.1 1,-0.2 -1,-0.2 0.915 110.6 50.3 -62.8 -38.4 38.7 -13.1 41.8 19 23 A Q H X S+ 0 0 0 -4,-2.3 4,-2.8 2,-0.2 5,-0.2 0.887 105.0 56.7 -70.8 -36.7 37.4 -13.6 38.2 20 24 A I H X S+ 0 0 2 -4,-2.6 4,-2.2 1,-0.2 -1,-0.2 0.934 109.7 46.6 -56.1 -46.4 35.1 -10.6 38.5 21 25 A N H X S+ 0 0 37 -4,-1.9 4,-2.7 2,-0.2 -2,-0.2 0.911 110.4 52.2 -63.2 -39.8 38.1 -8.5 39.4 22 26 A L H X S+ 0 0 41 -4,-2.1 4,-2.6 2,-0.2 -2,-0.2 0.916 109.8 48.3 -64.3 -42.3 40.1 -10.0 36.5 23 27 A D H X S+ 0 0 0 -4,-2.8 4,-2.4 2,-0.2 -1,-0.2 0.901 111.8 49.7 -66.3 -37.1 37.4 -9.2 34.0 24 28 A L H X S+ 0 0 37 -4,-2.2 4,-2.1 -5,-0.2 -2,-0.2 0.918 110.7 50.9 -64.2 -42.4 37.1 -5.6 35.3 25 29 A Y H X S+ 0 0 41 -4,-2.7 4,-2.8 2,-0.2 -2,-0.2 0.941 109.0 50.0 -59.4 -46.4 40.9 -5.3 35.1 26 30 A A H X S+ 0 0 0 -4,-2.6 4,-2.4 1,-0.2 5,-0.2 0.918 108.0 54.3 -60.2 -40.2 40.8 -6.5 31.4 27 31 A S H X S+ 0 0 17 -4,-2.4 4,-2.0 1,-0.2 -1,-0.2 0.899 110.0 47.7 -56.3 -41.3 38.1 -4.0 30.7 28 32 A Y H X S+ 0 0 103 -4,-2.1 4,-2.6 2,-0.2 -2,-0.2 0.906 108.4 53.0 -71.1 -40.9 40.4 -1.3 32.1 29 33 A V H X S+ 0 0 7 -4,-2.8 4,-2.7 1,-0.2 -2,-0.2 0.950 111.9 46.0 -54.1 -47.0 43.4 -2.4 30.1 30 34 A Y H X S+ 0 0 0 -4,-2.4 4,-2.9 1,-0.2 -2,-0.2 0.862 109.5 54.4 -70.5 -35.7 41.3 -2.2 26.9 31 35 A L H X S+ 0 0 61 -4,-2.0 4,-2.0 -5,-0.2 -1,-0.2 0.933 110.3 47.2 -57.3 -47.0 39.9 1.2 27.9 32 36 A S H X S+ 0 0 33 -4,-2.6 4,-1.6 1,-0.2 -2,-0.2 0.935 112.7 49.0 -61.7 -46.3 43.5 2.4 28.3 33 37 A M H X S+ 0 0 1 -4,-2.7 4,-1.6 1,-0.2 -2,-0.2 0.920 107.9 55.8 -58.2 -47.2 44.5 0.9 24.9 34 38 A S H X S+ 0 0 4 -4,-2.9 4,-0.6 1,-0.2 3,-0.3 0.931 109.7 42.9 -53.0 -53.3 41.5 2.5 23.2 35 39 A Y H < S+ 0 0 128 -4,-2.0 4,-0.5 1,-0.2 3,-0.2 0.754 104.1 65.6 -74.7 -18.3 42.3 6.0 24.2 36 40 A Y H >< S+ 0 0 21 -4,-1.6 3,-1.5 1,-0.2 7,-0.3 0.942 103.5 47.6 -59.4 -44.7 46.0 5.6 23.4 37 41 A F H 3< S+ 0 0 1 -4,-1.6 7,-1.9 -3,-0.3 11,-0.2 0.660 103.7 62.7 -73.3 -11.5 45.0 5.2 19.8 38 42 A D T 3< S+ 0 0 103 -4,-0.6 -1,-0.3 -3,-0.2 -2,-0.2 0.519 78.7 114.9 -84.8 -11.2 42.8 8.3 20.1 39 43 A R S X> S- 0 0 96 -3,-1.5 4,-2.3 -4,-0.5 3,-1.9 -0.323 76.2-124.9 -58.5 144.8 45.9 10.4 20.8 40 44 A D T 34 S+ 0 0 152 1,-0.3 -1,-0.1 2,-0.2 -3,-0.0 0.737 112.7 52.4 -63.6 -22.4 46.7 13.0 18.2 41 45 A D T 34 S+ 0 0 96 1,-0.0 -1,-0.3 0, 0.0 -2,-0.1 0.207 121.1 31.0 -98.8 14.0 50.2 11.6 17.8 42 46 A V T <4 S+ 0 0 32 -3,-1.9 -2,-0.2 -5,-0.1 -5,-0.1 0.513 78.0 173.0-128.6 -63.6 48.9 8.0 17.3 43 47 A A < + 0 0 64 -4,-2.3 2,-0.7 -7,-0.3 -5,-0.2 0.835 17.0 145.7 62.1 46.5 45.5 8.7 15.6 44 48 A L > - 0 0 18 -7,-1.9 4,-2.2 1,-0.1 -1,-0.2 -0.830 23.3-176.3-112.9 89.6 44.4 5.1 14.6 45 49 A K H > S+ 0 0 157 -2,-0.7 4,-2.4 1,-0.2 -1,-0.1 0.785 79.0 49.6 -62.3 -34.4 40.6 5.5 15.0 46 50 A N H > S+ 0 0 26 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.860 108.3 51.8 -80.9 -31.9 39.7 1.9 14.2 47 51 A F H > S+ 0 0 0 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.930 111.7 50.0 -56.4 -43.5 42.3 0.5 16.7 48 52 A A H X S+ 0 0 10 -4,-2.2 4,-2.2 -11,-0.2 -2,-0.2 0.936 112.6 45.7 -60.6 -47.9 40.6 2.9 19.2 49 53 A K H X S+ 0 0 144 -4,-2.4 4,-2.5 2,-0.2 -1,-0.2 0.916 111.1 52.5 -61.2 -45.1 37.2 1.6 18.3 50 54 A Y H X S+ 0 0 31 -4,-2.7 4,-2.2 1,-0.2 -2,-0.2 0.938 112.9 43.5 -57.3 -49.3 38.2 -2.1 18.4 51 55 A F H X S+ 0 0 0 -4,-2.4 4,-2.3 2,-0.2 -1,-0.2 0.851 111.0 54.4 -69.5 -33.5 39.8 -1.8 21.9 52 56 A L H X S+ 0 0 42 -4,-2.2 4,-2.3 -5,-0.2 -1,-0.2 0.939 108.5 49.6 -64.4 -42.1 36.8 0.3 23.2 53 57 A H H X S+ 0 0 117 -4,-2.5 4,-2.2 1,-0.2 -2,-0.2 0.926 110.4 51.2 -58.5 -44.5 34.5 -2.5 22.1 54 58 A Q H X S+ 0 0 10 -4,-2.2 4,-2.4 1,-0.2 -1,-0.2 0.892 107.6 53.3 -58.4 -42.5 36.7 -5.0 23.8 55 59 A S H X S+ 0 0 3 -4,-2.3 4,-2.0 1,-0.2 -1,-0.2 0.928 109.5 46.7 -59.4 -48.2 36.6 -2.9 27.0 56 60 A H H X S+ 0 0 88 -4,-2.3 4,-2.2 1,-0.2 -1,-0.2 0.893 110.8 53.8 -66.4 -35.0 32.8 -2.9 27.0 57 61 A E H X S+ 0 0 46 -4,-2.2 4,-2.3 2,-0.2 -1,-0.2 0.925 107.3 50.0 -62.3 -45.6 32.7 -6.7 26.4 58 62 A E H X S+ 0 0 1 -4,-2.4 4,-2.2 2,-0.2 -1,-0.2 0.891 108.6 52.8 -63.7 -36.8 35.0 -7.4 29.3 59 63 A R H X S+ 0 0 85 -4,-2.0 4,-2.5 2,-0.2 -1,-0.2 0.932 108.1 51.2 -62.6 -42.0 32.7 -5.3 31.6 60 64 A E H X S+ 0 0 84 -4,-2.2 4,-2.4 1,-0.2 -2,-0.2 0.914 106.3 54.9 -60.7 -39.5 29.8 -7.4 30.4 61 65 A H H X S+ 0 0 21 -4,-2.3 4,-1.7 1,-0.2 -1,-0.2 0.925 110.0 47.1 -58.4 -43.8 31.8 -10.5 31.3 62 66 A A H X S+ 0 0 0 -4,-2.2 4,-2.2 1,-0.2 -1,-0.2 0.915 109.8 51.7 -65.8 -42.2 32.2 -9.2 34.8 63 67 A E H X S+ 0 0 91 -4,-2.5 4,-2.4 1,-0.2 -1,-0.2 0.890 107.8 52.6 -64.0 -37.4 28.5 -8.2 35.2 64 68 A K H X S+ 0 0 89 -4,-2.4 4,-2.3 1,-0.2 -1,-0.2 0.871 109.5 49.7 -66.6 -33.6 27.5 -11.8 34.1 65 69 A L H X S+ 0 0 0 -4,-1.7 4,-2.9 2,-0.2 -1,-0.2 0.874 108.8 52.1 -70.9 -36.3 29.8 -13.2 36.8 66 70 A M H X S+ 0 0 50 -4,-2.2 4,-2.1 2,-0.2 -2,-0.2 0.923 110.0 49.1 -63.9 -41.3 28.3 -10.9 39.4 67 71 A K H X S+ 0 0 133 -4,-2.4 4,-2.7 1,-0.2 -2,-0.2 0.934 110.7 50.9 -61.8 -44.8 24.9 -12.1 38.3 68 72 A L H X S+ 0 0 0 -4,-2.3 4,-2.3 2,-0.2 6,-0.3 0.921 105.8 55.6 -57.6 -47.6 26.1 -15.7 38.6 69 73 A Q H X>S+ 0 0 0 -4,-2.9 5,-2.3 1,-0.2 4,-0.6 0.951 113.0 41.1 -50.7 -52.3 27.5 -15.0 42.1 70 74 A N H ><5S+ 0 0 84 -4,-2.1 3,-0.8 1,-0.2 -1,-0.2 0.873 109.5 58.7 -67.0 -38.7 24.0 -13.9 43.2 71 75 A Q H 3<5S+ 0 0 108 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.881 110.7 43.5 -54.4 -40.1 22.2 -16.7 41.4 72 76 A R H 3<5S- 0 0 25 -4,-2.3 -66,-0.5 -3,-0.3 -1,-0.2 0.492 119.6-109.0 -87.6 -5.7 24.2 -19.3 43.4 73 77 A G T <<5S+ 0 0 2 -3,-0.8 -71,-0.4 -4,-0.6 -3,-0.2 0.588 73.2 137.4 86.9 12.1 23.7 -17.4 46.7 74 78 A G < - 0 0 0 -5,-2.3 2,-0.5 -6,-0.3 -1,-0.3 -0.310 53.8-116.0 -79.7 170.7 27.4 -16.3 46.9 75 79 A R - 0 0 120 -3,-0.1 2,-0.3 -2,-0.1 -58,-0.1 -0.955 19.5-128.0-120.5 125.4 28.3 -12.8 48.0 76 80 A I - 0 0 45 -2,-0.5 2,-0.5 -10,-0.1 -62,-0.1 -0.564 24.0-176.4 -71.8 129.3 30.0 -10.4 45.8 77 81 A F - 0 0 136 -2,-0.3 2,-0.2 -63,-0.1 -2,-0.0 -0.969 13.1-154.6-128.4 112.6 33.2 -8.8 47.2 78 82 A L - 0 0 102 -2,-0.5 2,-0.3 -58,-0.1 -60,-0.1 -0.522 8.2-165.4 -85.3 150.8 34.8 -6.2 45.0 79 83 A Q - 0 0 135 -2,-0.2 -2,-0.0 -62,-0.2 -1,-0.0 -0.863 38.1 -70.1-126.6 167.9 38.4 -5.2 45.0 80 84 A D - 0 0 124 -2,-0.3 2,-0.8 1,-0.1 -1,-0.1 -0.229 43.5-127.8 -53.8 143.5 40.4 -2.3 43.6 81 85 A I - 0 0 77 -57,-0.1 -1,-0.1 -3,-0.0 2,-0.1 -0.875 31.1-134.0 -94.0 109.6 40.7 -2.4 39.8 82 86 A Q - 0 0 114 -2,-0.8 3,-0.1 1,-0.1 -54,-0.1 -0.361 17.0-110.8 -66.0 142.8 44.4 -2.0 39.3 83 87 A K - 0 0 133 1,-0.1 -1,-0.1 -2,-0.1 -54,-0.1 -0.369 46.4 -93.1 -66.1 150.3 45.6 0.4 36.7 84 88 A P - 0 0 8 0, 0.0 -1,-0.1 0, 0.0 -58,-0.0 -0.202 30.0-113.9 -62.3 159.7 47.1 -1.3 33.7 85 89 A D S S+ 0 0 145 -3,-0.1 2,-0.3 2,-0.0 -2,-0.1 0.739 97.5 50.2 -65.8 -25.2 50.9 -1.9 33.5 86 90 A C - 0 0 46 1,-0.1 3,-0.1 -57,-0.0 -54,-0.0 -0.900 46.9-176.9-118.0 145.3 51.4 0.6 30.6 87 91 A D S S+ 0 0 127 -2,-0.3 2,-0.5 1,-0.3 -1,-0.1 0.659 88.5 43.9 -97.4 -33.3 50.3 4.2 30.0 88 92 A D - 0 0 76 1,-0.1 -1,-0.3 -52,-0.0 -55,-0.1 -0.968 67.3-164.8-116.3 124.5 51.8 4.2 26.5 89 93 A W - 0 0 11 -2,-0.5 2,-2.2 -57,-0.1 6,-0.2 0.273 24.0-142.5-100.4 10.5 51.1 1.1 24.3 90 94 A E - 0 0 136 4,-0.1 2,-0.3 5,-0.1 -1,-0.1 -0.247 61.2 -10.7 73.9 -56.0 53.8 1.9 21.7 91 95 A S S > S- 0 0 14 -2,-2.2 4,-2.4 1,-0.1 5,-0.2 -0.971 71.5 -94.3-166.6 165.5 52.1 0.7 18.4 92 96 A G H > S+ 0 0 0 -2,-0.3 4,-2.5 2,-0.2 5,-0.2 0.920 124.6 50.2 -57.8 -46.7 49.1 -1.1 17.0 93 97 A L H > S+ 0 0 10 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.928 110.7 48.7 -60.7 -46.9 51.2 -4.3 16.9 94 98 A N H > S+ 0 0 30 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.917 111.0 50.2 -61.8 -41.0 52.4 -4.0 20.5 95 99 A A H X S+ 0 0 0 -4,-2.4 4,-2.8 2,-0.2 -1,-0.2 0.918 111.0 49.0 -61.9 -43.4 48.9 -3.3 21.8 96 100 A M H X S+ 0 0 0 -4,-2.5 4,-2.4 2,-0.2 -2,-0.2 0.903 111.2 50.1 -62.7 -40.4 47.6 -6.4 19.9 97 101 A E H X S+ 0 0 60 -4,-2.5 4,-2.3 2,-0.2 -2,-0.2 0.920 111.5 48.6 -61.6 -44.0 50.5 -8.5 21.4 98 102 A C H X S+ 0 0 36 -4,-2.7 4,-2.6 1,-0.2 -2,-0.2 0.918 111.0 50.6 -63.3 -42.1 49.6 -7.2 24.8 99 103 A A H X S+ 0 0 0 -4,-2.8 4,-2.6 2,-0.2 -2,-0.2 0.893 108.2 52.3 -61.5 -42.5 45.9 -8.0 24.3 100 104 A L H X S+ 0 0 42 -4,-2.4 4,-2.1 2,-0.2 -1,-0.2 0.937 111.1 47.2 -59.3 -46.2 46.8 -11.5 23.2 101 105 A H H X S+ 0 0 122 -4,-2.3 4,-2.3 1,-0.2 -2,-0.2 0.920 112.5 50.5 -60.6 -44.3 48.8 -12.0 26.4 102 106 A L H X S+ 0 0 14 -4,-2.6 4,-2.8 1,-0.2 -1,-0.2 0.922 109.9 48.5 -59.9 -45.0 46.0 -10.6 28.5 103 107 A E H X S+ 0 0 1 -4,-2.6 4,-2.5 1,-0.2 -1,-0.2 0.868 110.7 51.4 -68.9 -34.6 43.4 -12.9 26.9 104 108 A K H X S+ 0 0 126 -4,-2.1 4,-2.4 2,-0.2 -1,-0.2 0.886 110.3 49.7 -66.7 -38.1 45.6 -15.9 27.4 105 109 A N H X S+ 0 0 83 -4,-2.3 4,-2.1 2,-0.2 -2,-0.2 0.922 111.4 47.9 -64.3 -44.9 46.0 -14.9 31.1 106 110 A V H X S+ 0 0 0 -4,-2.8 4,-2.3 1,-0.2 -2,-0.2 0.925 111.5 51.3 -61.2 -43.5 42.2 -14.5 31.5 107 111 A N H X S+ 0 0 28 -4,-2.5 4,-2.6 1,-0.2 -2,-0.2 0.904 107.1 53.1 -58.7 -45.7 41.8 -17.9 29.8 108 112 A Q H X S+ 0 0 99 -4,-2.4 4,-2.2 1,-0.2 -1,-0.2 0.936 109.7 48.5 -55.3 -44.7 44.3 -19.5 32.2 109 113 A S H X S+ 0 0 31 -4,-2.1 4,-2.3 1,-0.2 -1,-0.2 0.903 111.7 49.4 -61.6 -44.2 42.3 -18.1 35.2 110 114 A L H X S+ 0 0 0 -4,-2.3 4,-2.3 2,-0.2 -1,-0.2 0.884 109.6 51.1 -65.5 -37.2 39.1 -19.4 33.7 111 115 A L H X S+ 0 0 78 -4,-2.6 4,-2.3 2,-0.2 -2,-0.2 0.873 110.4 49.8 -66.3 -36.1 40.6 -22.9 33.1 112 116 A E H X S+ 0 0 113 -4,-2.2 4,-2.3 -5,-0.2 -2,-0.2 0.893 110.3 50.4 -69.1 -37.4 41.8 -22.9 36.8 113 117 A L H X S+ 0 0 7 -4,-2.3 4,-2.8 2,-0.2 -2,-0.2 0.900 109.7 50.2 -64.6 -41.4 38.2 -21.9 37.8 114 118 A H H X S+ 0 0 37 -4,-2.3 4,-2.5 2,-0.2 -2,-0.2 0.917 109.4 51.0 -64.8 -40.4 36.8 -24.8 35.7 115 119 A K H X S+ 0 0 128 -4,-2.3 4,-2.9 2,-0.2 -2,-0.2 0.917 111.3 48.7 -59.9 -44.5 39.3 -27.2 37.4 116 120 A L H X S+ 0 0 33 -4,-2.3 4,-2.1 2,-0.2 -2,-0.2 0.933 111.0 49.3 -61.5 -46.9 38.2 -26.0 40.8 117 121 A A H <>S+ 0 0 0 -4,-2.8 5,-2.7 1,-0.2 -1,-0.2 0.893 112.3 48.8 -62.1 -37.9 34.5 -26.4 39.9 118 122 A T H ><5S+ 0 0 68 -4,-2.5 3,-1.7 3,-0.2 -2,-0.2 0.938 110.2 50.7 -63.1 -46.9 35.3 -29.9 38.6 119 123 A D H 3<5S+ 0 0 92 -4,-2.9 -2,-0.2 1,-0.3 -1,-0.2 0.812 112.6 47.5 -63.0 -30.6 37.1 -30.8 41.9 120 124 A K T 3<5S- 0 0 70 -4,-2.1 -1,-0.3 -5,-0.2 -2,-0.2 0.292 112.4-120.7 -93.7 10.6 34.1 -29.5 43.9 121 125 A N T < 5 + 0 0 121 -3,-1.7 -3,-0.2 1,-0.2 3,-0.1 0.920 60.2 150.0 48.3 53.1 31.6 -31.4 41.7 122 126 A D >< + 0 0 1 -5,-2.7 4,-2.4 1,-0.2 -1,-0.2 -0.791 15.7 171.5-113.9 82.3 29.8 -28.3 40.7 123 127 A P H > S+ 0 0 93 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.827 76.1 57.9 -68.4 -28.3 28.5 -29.2 37.2 124 128 A H H > S+ 0 0 88 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.937 109.9 43.7 -63.8 -43.5 26.4 -26.0 37.0 125 129 A L H > S+ 0 0 0 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.908 112.4 53.2 -69.1 -39.0 29.4 -23.8 37.5 126 130 A C H X S+ 0 0 13 -4,-2.4 4,-2.6 1,-0.2 -2,-0.2 0.940 111.8 45.8 -56.0 -46.7 31.4 -26.0 35.0 127 131 A D H X S+ 0 0 83 -4,-2.5 4,-3.3 1,-0.2 5,-0.3 0.884 109.4 54.7 -65.7 -40.5 28.7 -25.5 32.4 128 132 A F H X S+ 0 0 10 -4,-2.4 4,-2.3 1,-0.2 5,-0.4 0.930 111.7 44.4 -60.7 -46.1 28.5 -21.8 33.1 129 133 A I H X>S+ 0 0 0 -4,-2.4 5,-2.3 2,-0.2 4,-1.9 0.931 116.7 45.2 -66.7 -44.8 32.2 -21.4 32.4 130 134 A E H <>S+ 0 0 89 -4,-2.6 5,-1.0 3,-0.2 -2,-0.2 0.954 117.9 43.8 -60.4 -49.7 32.2 -23.7 29.3 131 135 A T H <5S+ 0 0 83 -4,-3.3 -2,-0.2 1,-0.2 -1,-0.2 0.871 128.5 21.9 -66.8 -44.4 29.1 -22.0 27.9 132 136 A H H <5S+ 0 0 68 -4,-2.3 -1,-0.2 -5,-0.3 -3,-0.2 0.676 133.1 22.6-102.8 -20.0 29.8 -18.4 28.4 133 137 A Y T X5S+ 0 0 1 -4,-1.9 4,-2.4 -5,-0.4 -3,-0.2 0.795 105.5 58.9-120.4 -45.3 33.6 -18.1 28.8 134 138 A L H > S+ 0 0 59 1,-0.2 4,-2.4 2,-0.2 -2,-0.2 0.925 108.8 45.7 -56.8 -46.3 34.7 -16.8 24.0 137 141 A Q H X S+ 0 0 2 -4,-2.4 4,-2.8 2,-0.2 5,-0.2 0.900 110.0 52.1 -64.9 -45.3 38.3 -16.9 25.0 138 142 A V H X S+ 0 0 81 -4,-1.9 4,-2.4 1,-0.2 -2,-0.2 0.939 113.7 45.6 -58.5 -44.7 39.4 -19.4 22.3 139 143 A K H X S+ 0 0 108 -4,-2.9 4,-2.4 1,-0.2 -2,-0.2 0.906 113.3 48.8 -64.1 -40.5 37.8 -17.1 19.7 140 144 A A H X S+ 0 0 16 -4,-2.4 4,-2.5 -5,-0.2 -2,-0.2 0.911 112.7 48.0 -65.5 -42.4 39.3 -13.9 21.2 141 145 A I H X S+ 0 0 32 -4,-2.8 4,-2.6 2,-0.2 -1,-0.2 0.912 112.3 48.8 -66.2 -43.4 42.8 -15.5 21.3 142 146 A K H X S+ 0 0 126 -4,-2.4 4,-2.5 -5,-0.2 -2,-0.2 0.918 111.6 49.7 -61.7 -43.5 42.5 -16.7 17.7 143 147 A E H X S+ 0 0 81 -4,-2.4 4,-2.3 2,-0.2 -2,-0.2 0.934 112.7 46.5 -63.3 -45.9 41.3 -13.3 16.5 144 148 A L H X S+ 0 0 1 -4,-2.5 4,-2.6 2,-0.2 -1,-0.2 0.897 111.2 51.8 -67.0 -37.8 44.2 -11.5 18.2 145 149 A G H X S+ 0 0 20 -4,-2.6 4,-2.7 1,-0.2 -1,-0.2 0.931 109.6 50.8 -58.4 -46.1 46.7 -14.1 16.9 146 150 A D H X S+ 0 0 67 -4,-2.5 4,-2.4 1,-0.2 -2,-0.2 0.927 111.2 48.1 -57.7 -45.6 45.4 -13.5 13.4 147 151 A H H X S+ 0 0 20 -4,-2.3 4,-2.8 2,-0.2 -2,-0.2 0.922 111.5 49.4 -61.6 -45.1 45.8 -9.7 13.9 148 152 A V H X S+ 0 0 3 -4,-2.6 4,-2.7 1,-0.2 5,-0.2 0.927 110.7 51.2 -60.5 -45.5 49.3 -10.0 15.2 149 153 A T H X S+ 0 0 64 -4,-2.7 4,-2.8 -5,-0.2 5,-0.2 0.938 111.9 45.8 -58.1 -49.5 50.3 -12.2 12.3 150 154 A N H X S+ 0 0 79 -4,-2.4 4,-2.2 2,-0.2 -2,-0.2 0.936 112.4 50.1 -62.7 -43.4 48.9 -9.8 9.7 151 155 A L H X>S+ 0 0 0 -4,-2.8 5,-2.7 1,-0.2 4,-0.6 0.929 113.3 46.4 -62.5 -41.9 50.5 -6.8 11.3 152 156 A R H ><5S+ 0 0 140 -4,-2.7 3,-1.2 1,-0.2 -2,-0.2 0.943 113.1 48.8 -63.1 -48.5 53.9 -8.5 11.5 153 157 A K H 3<5S+ 0 0 173 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.805 108.5 54.3 -62.6 -30.3 53.6 -9.7 7.9 154 158 A M H 3<5S- 0 0 77 -4,-2.2 -1,-0.3 -5,-0.2 -2,-0.2 0.625 126.3-100.1 -78.7 -15.8 52.7 -6.3 6.7 155 159 A G T S+ 0 0 53 -2,-1.0 4,-2.3 1,-0.2 -1,-0.2 0.823 88.1 61.6 -63.8 -33.2 53.4 3.2 9.9 161 165 A L H > S+ 0 0 113 2,-0.2 4,-2.8 1,-0.2 5,-0.2 0.891 100.8 52.1 -54.2 -46.1 51.8 2.6 6.5 162 166 A A H > S+ 0 0 3 2,-0.2 4,-2.8 1,-0.2 5,-0.2 0.937 111.3 45.1 -57.4 -49.6 51.1 -1.1 7.6 163 167 A E H X S+ 0 0 16 -4,-1.7 4,-2.5 1,-0.2 -2,-0.2 0.905 113.5 51.5 -65.0 -39.2 49.4 -0.0 10.8 164 168 A Y H X S+ 0 0 125 -4,-2.3 4,-1.8 2,-0.2 -2,-0.2 0.933 113.6 43.6 -57.2 -51.0 47.4 2.7 8.8 165 169 A L H X S+ 0 0 61 -4,-2.8 4,-3.2 2,-0.2 5,-0.3 0.878 113.1 51.1 -69.0 -37.1 46.3 0.2 6.2 166 170 A F H X>S+ 0 0 1 -4,-2.8 4,-2.5 2,-0.2 5,-2.0 0.927 107.3 54.3 -62.6 -44.6 45.4 -2.5 8.8 167 171 A D H <5S+ 0 0 4 -4,-2.5 -2,-0.2 -5,-0.2 -1,-0.2 0.911 117.2 37.5 -51.4 -44.9 43.4 0.0 10.7 168 172 A K H <5S+ 0 0 93 -4,-1.8 4,-0.3 3,-0.2 -2,-0.2 0.946 125.3 34.1 -75.4 -48.8 41.4 0.8 7.5 169 173 A H H <5S+ 0 0 150 -4,-3.2 -3,-0.2 -5,-0.1 -2,-0.2 0.732 130.9 23.2 -89.7 -26.4 41.1 -2.7 5.9 170 174 A T T <5S+ 0 0 67 -4,-2.5 -3,-0.2 -5,-0.3 -4,-0.1 0.795 132.2 32.2-102.9 -48.6 40.8 -5.1 8.9 171 175 A L < 0 0 29 -5,-2.0 -3,-0.2 0, 0.0 -4,-0.1 0.568 360.0 360.0 -88.8 -8.3 39.5 -3.0 11.8 172 176 A G 0 0 71 -6,-0.4 -4,-0.1 -4,-0.3 -3,-0.1 -0.108 360.0 360.0-111.6 360.0 37.4 -0.6 9.7