==== 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 02-MAY-06 2CLU . 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) . 9946.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 135 78.5 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 . 6 3.5 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 . 114 66.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 4.1 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 1 2 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 0 174 0, 0.0 73,-0.1 0, 0.0 72,-0.1 0.000 360.0 360.0 360.0 119.0 23.9 -19.1 54.3 2 6 A S > - 0 0 23 71,-0.5 3,-1.0 1,-0.1 72,-0.0 -0.277 360.0-129.3 -59.5 136.5 21.6 -18.1 51.4 3 7 A Q T 3 S+ 0 0 198 1,-0.2 -1,-0.1 3,-0.0 70,-0.0 0.745 112.6 47.6 -54.8 -25.3 18.1 -19.8 51.1 4 8 A V T 3 S+ 0 0 77 69,-0.0 -1,-0.2 2,-0.0 -2,-0.1 0.622 83.1 118.4 -88.2 -18.6 19.1 -20.4 47.4 5 9 A R < + 0 0 65 -3,-1.0 2,-0.3 68,-0.2 68,-0.1 -0.286 32.2 156.2 -59.2 130.9 22.6 -21.8 48.0 6 10 A Q - 0 0 158 66,-0.5 3,-0.1 3,-0.0 -3,-0.0 -0.883 65.4 -11.1-158.4 123.6 23.0 -25.4 46.8 7 11 A N S S+ 0 0 96 -2,-0.3 2,-0.7 1,-0.2 -2,-0.0 0.810 90.8 135.7 60.2 31.7 26.2 -27.3 45.9 8 12 A Y - 0 0 10 64,-0.1 -1,-0.2 4,-0.0 2,-0.1 -0.892 45.2-148.2-119.6 102.5 28.1 -24.1 45.9 9 13 A H >> - 0 0 73 -2,-0.7 4,-2.2 1,-0.1 3,-0.9 -0.388 20.4-122.4 -72.3 140.1 31.5 -24.4 47.6 10 14 A Q H 3> S+ 0 0 151 1,-0.2 4,-2.1 2,-0.2 5,-0.1 0.793 114.6 55.3 -41.2 -40.6 33.2 -21.5 49.5 11 15 A D H 3> S+ 0 0 73 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.819 105.7 50.2 -69.0 -36.5 36.2 -21.9 47.2 12 16 A S H <> S+ 0 0 0 -3,-0.9 4,-2.7 2,-0.2 5,-0.2 0.944 109.4 52.1 -65.0 -49.1 34.0 -21.5 44.1 13 17 A E H X S+ 0 0 30 -4,-2.2 4,-1.8 1,-0.2 -2,-0.2 0.935 112.6 44.9 -49.6 -50.5 32.5 -18.4 45.6 14 18 A A H X S+ 0 0 44 -4,-2.1 4,-1.8 1,-0.2 -1,-0.2 0.900 112.1 52.1 -64.5 -40.2 36.0 -16.9 46.3 15 19 A A H X S+ 0 0 3 -4,-2.2 4,-2.3 2,-0.2 -1,-0.2 0.868 106.9 52.1 -66.7 -37.5 37.2 -17.9 42.8 16 20 A I H X S+ 0 0 0 -4,-2.7 4,-2.4 2,-0.2 -1,-0.2 0.899 107.7 53.2 -60.6 -41.8 34.2 -16.1 41.1 17 21 A N H X S+ 0 0 23 -4,-1.8 4,-1.6 -5,-0.2 -2,-0.2 0.853 110.1 47.3 -65.0 -37.8 35.0 -13.0 43.1 18 22 A R H X S+ 0 0 164 -4,-1.8 4,-2.0 2,-0.2 -1,-0.2 0.872 110.9 51.6 -64.7 -42.7 38.6 -13.2 41.8 19 23 A Q H X S+ 0 0 1 -4,-2.3 4,-2.1 2,-0.2 5,-0.2 0.884 105.6 55.2 -62.9 -37.9 37.3 -13.8 38.3 20 24 A I H X S+ 0 0 2 -4,-2.4 4,-2.1 1,-0.2 -1,-0.2 0.948 109.2 48.6 -60.8 -45.5 35.0 -10.6 38.5 21 25 A N H X S+ 0 0 39 -4,-1.6 4,-2.3 1,-0.2 -1,-0.2 0.897 110.4 50.4 -62.4 -41.0 38.1 -8.5 39.4 22 26 A L H X S+ 0 0 29 -4,-2.0 4,-2.5 2,-0.2 -1,-0.2 0.855 109.1 49.6 -65.9 -38.4 40.2 -9.9 36.6 23 27 A E H X S+ 0 0 0 -4,-2.1 4,-2.7 2,-0.2 -2,-0.2 0.916 112.4 49.9 -65.5 -40.8 37.4 -9.2 33.9 24 28 A L H X S+ 0 0 29 -4,-2.1 4,-2.0 -5,-0.2 -2,-0.2 0.902 110.2 49.8 -61.7 -43.3 37.2 -5.7 35.3 25 29 A Y H X S+ 0 0 43 -4,-2.3 4,-2.6 2,-0.2 -2,-0.2 0.936 110.4 49.7 -60.5 -50.3 40.9 -5.3 35.1 26 30 A A H X S+ 0 0 0 -4,-2.5 4,-2.4 1,-0.2 5,-0.2 0.914 108.3 53.8 -54.9 -44.8 40.9 -6.5 31.5 27 31 A S H X S+ 0 0 17 -4,-2.7 4,-2.0 1,-0.2 -1,-0.2 0.909 110.2 48.3 -51.3 -46.4 38.2 -4.0 30.7 28 32 A Y H X S+ 0 0 100 -4,-2.0 4,-2.5 2,-0.2 -2,-0.2 0.897 108.4 51.9 -64.1 -44.0 40.4 -1.3 32.2 29 33 A V H X S+ 0 0 6 -4,-2.6 4,-2.5 2,-0.2 -2,-0.2 0.960 112.1 47.0 -57.3 -47.7 43.5 -2.4 30.2 30 34 A Y H X S+ 0 0 0 -4,-2.4 4,-2.7 1,-0.2 -2,-0.2 0.881 109.0 54.5 -65.0 -36.2 41.4 -2.2 27.0 31 35 A L H X S+ 0 0 66 -4,-2.0 4,-2.0 -5,-0.2 -1,-0.2 0.939 110.5 46.4 -60.0 -45.5 40.0 1.2 27.9 32 36 A S H X S+ 0 0 31 -4,-2.5 4,-1.6 1,-0.2 -2,-0.2 0.908 112.5 50.0 -63.5 -43.6 43.6 2.5 28.3 33 37 A M H X S+ 0 0 0 -4,-2.5 4,-1.5 2,-0.2 -1,-0.2 0.898 107.9 54.7 -62.9 -44.2 44.6 0.9 25.0 34 38 A S H X S+ 0 0 4 -4,-2.7 4,-0.7 1,-0.2 3,-0.4 0.952 110.1 43.6 -55.0 -54.4 41.6 2.5 23.2 35 39 A Y H < S+ 0 0 126 -4,-2.0 4,-0.3 1,-0.2 -1,-0.2 0.753 104.2 64.4 -72.2 -22.3 42.4 6.0 24.2 36 40 A Y H >< S+ 0 0 21 -4,-1.6 3,-1.4 -5,-0.2 7,-0.3 0.931 104.2 48.6 -55.3 -45.0 46.1 5.6 23.5 37 41 A F H 3< S+ 0 0 1 -4,-1.5 7,-1.7 -3,-0.4 11,-0.2 0.675 103.3 61.8 -74.6 -12.6 45.0 5.2 19.8 38 42 A D T 3< S+ 0 0 105 -4,-0.7 -1,-0.3 5,-0.2 -2,-0.2 0.454 78.4 114.7 -85.0 -5.8 42.8 8.3 20.1 39 43 A R S X> S- 0 0 96 -3,-1.4 4,-2.9 -4,-0.3 3,-1.7 -0.417 76.3-124.6 -64.0 149.1 45.9 10.5 20.9 40 44 A D T 34 S+ 0 0 152 1,-0.3 -1,-0.1 2,-0.2 -3,-0.0 0.686 112.8 52.5 -69.8 -16.1 46.7 13.1 18.1 41 45 A D T 34 S+ 0 0 98 1,-0.0 -1,-0.3 0, 0.0 -2,-0.1 0.263 120.4 31.6-104.5 9.1 50.2 11.6 17.8 42 46 A V T <4 S+ 0 0 29 -3,-1.7 -2,-0.2 -5,-0.1 -5,-0.1 0.553 78.3 172.7-124.1 -59.3 48.9 8.1 17.4 43 47 A A < + 0 0 69 -4,-2.9 2,-0.6 -7,-0.3 -5,-0.2 0.846 17.7 144.0 57.4 45.6 45.6 8.7 15.5 44 48 A L > - 0 0 20 -7,-1.7 4,-2.2 1,-0.1 -1,-0.2 -0.837 24.5-176.0-115.8 93.7 44.4 5.1 14.6 45 49 A K H > S+ 0 0 145 -2,-0.6 4,-1.8 1,-0.2 -1,-0.1 0.700 77.5 48.9 -67.1 -28.8 40.7 5.5 15.0 46 50 A N H > S+ 0 0 26 2,-0.2 4,-2.9 3,-0.2 -1,-0.2 0.832 108.1 53.2 -87.0 -34.0 39.7 1.9 14.3 47 51 A F H > S+ 0 0 0 2,-0.2 4,-2.6 1,-0.2 5,-0.3 0.946 111.1 50.2 -54.9 -47.4 42.3 0.5 16.7 48 52 A A H X S+ 0 0 11 -4,-2.2 4,-2.2 -11,-0.2 -2,-0.2 0.927 113.6 43.5 -57.3 -48.1 40.7 2.8 19.2 49 53 A K H X S+ 0 0 126 -4,-1.8 4,-2.6 2,-0.2 -1,-0.2 0.885 112.1 53.7 -61.5 -43.6 37.2 1.5 18.4 50 54 A Y H X S+ 0 0 30 -4,-2.9 4,-2.2 1,-0.2 -2,-0.2 0.959 112.6 42.7 -58.0 -50.7 38.3 -2.1 18.4 51 55 A F H X S+ 0 0 0 -4,-2.6 4,-2.3 1,-0.2 -1,-0.2 0.864 111.5 54.7 -70.6 -31.4 39.8 -1.8 21.9 52 56 A L H X S+ 0 0 45 -4,-2.2 4,-2.1 -5,-0.3 -1,-0.2 0.941 107.9 50.5 -65.7 -42.3 36.8 0.2 23.2 53 57 A H H X S+ 0 0 105 -4,-2.6 4,-2.0 1,-0.2 3,-0.3 0.966 110.6 48.6 -54.6 -53.8 34.5 -2.6 22.0 54 58 A Q H X S+ 0 0 16 -4,-2.2 4,-2.3 1,-0.2 -1,-0.2 0.880 109.1 56.1 -53.8 -41.3 36.7 -5.3 23.8 55 59 A S H X S+ 0 0 3 -4,-2.3 4,-1.7 1,-0.2 -1,-0.2 0.911 107.8 45.2 -57.6 -46.9 36.6 -3.1 26.9 56 60 A H H X S+ 0 0 114 -4,-2.1 4,-2.2 -3,-0.3 -1,-0.2 0.849 110.7 54.8 -69.3 -34.4 32.8 -3.0 27.1 57 61 A E H X S+ 0 0 60 -4,-2.0 4,-2.9 -5,-0.2 -2,-0.2 0.924 106.4 51.6 -61.5 -45.1 32.7 -6.8 26.5 58 62 A E H X S+ 0 0 4 -4,-2.3 4,-2.4 1,-0.2 -2,-0.2 0.916 109.9 49.0 -59.7 -39.6 35.0 -7.4 29.4 59 63 A R H X S+ 0 0 138 -4,-1.7 4,-2.7 2,-0.2 -1,-0.2 0.914 110.1 51.3 -64.5 -43.6 32.8 -5.3 31.7 60 64 A E H X S+ 0 0 126 -4,-2.2 4,-2.0 2,-0.2 -2,-0.2 0.918 107.6 52.8 -60.4 -42.9 29.8 -7.2 30.5 61 65 A H H X S+ 0 0 24 -4,-2.9 4,-1.5 1,-0.2 -2,-0.2 0.919 109.2 50.5 -57.6 -41.4 31.7 -10.5 31.3 62 66 A A H X S+ 0 0 0 -4,-2.4 4,-2.1 1,-0.2 -2,-0.2 0.924 108.9 51.0 -60.6 -45.7 32.2 -9.1 34.8 63 67 A E H X S+ 0 0 83 -4,-2.7 4,-2.3 1,-0.2 -1,-0.2 0.855 106.9 53.4 -61.1 -37.9 28.6 -8.2 35.2 64 68 A K H X S+ 0 0 76 -4,-2.0 4,-2.3 2,-0.2 -1,-0.2 0.848 109.2 49.2 -68.3 -31.5 27.5 -11.8 34.1 65 69 A L H X S+ 0 0 0 -4,-1.5 4,-2.9 2,-0.2 -2,-0.2 0.884 109.0 52.8 -74.0 -38.0 29.8 -13.3 36.8 66 70 A M H X S+ 0 0 50 -4,-2.1 4,-1.8 2,-0.2 -2,-0.2 0.922 110.2 47.4 -63.1 -42.7 28.3 -10.9 39.4 67 71 A K H X S+ 0 0 133 -4,-2.3 4,-2.5 2,-0.2 -2,-0.2 0.912 110.8 52.8 -59.2 -45.7 24.9 -12.2 38.3 68 72 A L H X S+ 0 0 0 -4,-2.3 4,-2.1 2,-0.2 6,-0.3 0.933 105.7 54.2 -54.4 -50.0 26.2 -15.8 38.6 69 73 A Q H <>S+ 0 0 0 -4,-2.9 5,-2.6 1,-0.2 4,-0.5 0.922 112.8 41.7 -49.9 -53.6 27.4 -15.1 42.1 70 74 A N H ><5S+ 0 0 87 -4,-1.8 3,-0.6 1,-0.2 -1,-0.2 0.843 109.6 59.2 -67.4 -36.1 24.0 -13.9 43.3 71 75 A Q H 3<5S+ 0 0 104 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.890 110.2 42.8 -53.4 -44.0 22.2 -16.7 41.3 72 76 A R T 3<5S- 0 0 26 -4,-2.1 -66,-0.5 -3,-0.2 -1,-0.2 0.462 120.9-105.2 -86.1 -7.0 24.1 -19.3 43.3 73 77 A G T < 5S+ 0 0 3 -3,-0.6 -71,-0.5 -4,-0.5 -3,-0.2 0.622 74.4 139.1 91.3 12.4 23.7 -17.6 46.7 74 78 A G < - 0 0 0 -5,-2.6 2,-0.5 -6,-0.3 -1,-0.2 -0.215 51.7-118.3 -80.4 175.6 27.3 -16.3 46.9 75 79 A R - 0 0 118 -3,-0.1 2,-0.4 -2,-0.1 -58,-0.1 -0.981 19.8-129.2-127.3 126.2 28.3 -12.9 48.1 76 80 A I - 0 0 44 -2,-0.5 2,-0.5 -10,-0.1 -62,-0.1 -0.618 23.2-176.7 -77.9 129.2 30.1 -10.4 45.9 77 81 A F - 0 0 139 -2,-0.4 2,-0.2 -63,-0.1 -2,-0.0 -0.985 13.4-155.1-126.9 112.8 33.2 -8.9 47.3 78 82 A L - 0 0 102 -2,-0.5 2,-0.3 -58,-0.1 -60,-0.1 -0.631 7.2-163.3 -89.1 147.8 34.8 -6.3 45.1 79 83 A Q - 0 0 136 -2,-0.2 -2,-0.0 -62,-0.2 0, 0.0 -0.828 37.4 -72.9-123.0 164.2 38.4 -5.3 45.1 80 84 A D - 0 0 122 -2,-0.3 2,-0.7 1,-0.1 -1,-0.1 -0.240 44.2-126.8 -47.0 142.1 40.4 -2.3 43.7 81 85 A I - 0 0 79 -57,-0.1 2,-0.1 -3,-0.1 -1,-0.1 -0.890 30.0-132.2 -94.4 117.0 40.7 -2.3 39.9 82 86 A Q - 0 0 115 -2,-0.7 3,-0.1 1,-0.1 -54,-0.1 -0.381 17.9-111.7 -74.0 139.1 44.5 -2.0 39.3 83 87 A K - 0 0 140 -2,-0.1 -1,-0.1 1,-0.1 -54,-0.1 -0.290 47.6 -94.3 -62.7 152.5 45.6 0.6 36.8 84 88 A P - 0 0 12 0, 0.0 -1,-0.1 0, 0.0 -58,-0.0 -0.252 30.7-109.3 -66.6 165.6 47.1 -1.2 33.7 85 89 A D S S+ 0 0 145 -3,-0.1 2,-0.3 2,-0.1 -2,-0.1 0.806 98.1 42.3 -63.4 -35.2 50.9 -1.8 33.4 86 90 A C - 0 0 48 1,-0.1 3,-0.1 -57,-0.0 -54,-0.0 -0.834 47.4-172.3-115.0 154.4 51.5 0.8 30.7 87 91 A D S S+ 0 0 124 -2,-0.3 2,-0.5 1,-0.3 -1,-0.1 0.642 90.0 45.8-101.1 -29.9 50.2 4.3 30.0 88 92 A D - 0 0 81 1,-0.1 -1,-0.3 -52,-0.0 -55,-0.1 -0.977 67.4-166.1-121.0 117.1 51.8 4.4 26.5 89 93 A W - 0 0 12 -2,-0.5 2,-2.1 -57,-0.1 6,-0.2 0.340 23.8-143.3 -95.8 5.5 51.1 1.2 24.4 90 94 A E - 0 0 131 4,-0.1 2,-0.3 5,-0.1 -1,-0.1 -0.238 61.1 -6.0 76.8 -52.9 53.8 2.0 21.7 91 95 A S S > S- 0 0 11 -2,-2.1 4,-2.8 1,-0.1 5,-0.2 -0.979 70.6 -97.9-165.4 168.2 52.1 0.7 18.5 92 96 A G H > S+ 0 0 0 -2,-0.3 4,-2.2 1,-0.2 5,-0.1 0.902 123.8 48.1 -62.6 -40.6 49.1 -1.1 17.1 93 97 A L H > S+ 0 0 10 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.920 111.2 48.9 -65.6 -47.6 51.2 -4.3 17.0 94 98 A N H > S+ 0 0 33 1,-0.2 4,-2.6 2,-0.2 -2,-0.2 0.933 111.1 50.5 -60.4 -43.1 52.5 -3.9 20.5 95 99 A A H X S+ 0 0 0 -4,-2.8 4,-2.5 1,-0.2 -1,-0.2 0.903 111.0 49.1 -60.9 -41.7 49.0 -3.3 21.8 96 100 A M H X S+ 0 0 0 -4,-2.2 4,-2.7 2,-0.2 -1,-0.2 0.874 110.3 51.1 -65.6 -36.9 47.7 -6.4 20.0 97 101 A E H X S+ 0 0 62 -4,-2.4 4,-2.5 2,-0.2 -2,-0.2 0.912 112.3 46.5 -63.5 -42.6 50.6 -8.5 21.4 98 102 A C H X S+ 0 0 38 -4,-2.6 4,-2.5 2,-0.2 -2,-0.2 0.881 111.7 51.3 -68.8 -39.5 49.7 -7.2 24.9 99 103 A A H X S+ 0 0 0 -4,-2.5 4,-3.0 2,-0.2 5,-0.2 0.919 109.7 50.1 -58.5 -48.6 46.0 -7.9 24.3 100 104 A L H X S+ 0 0 40 -4,-2.7 4,-2.1 1,-0.2 5,-0.2 0.970 112.1 47.8 -54.0 -52.1 46.9 -11.5 23.2 101 105 A H H X S+ 0 0 141 -4,-2.5 4,-2.1 1,-0.2 -2,-0.2 0.919 113.2 48.3 -53.5 -46.0 49.0 -11.9 26.4 102 106 A L H X S+ 0 0 13 -4,-2.5 4,-2.7 1,-0.2 -1,-0.2 0.931 109.0 51.8 -65.8 -45.1 46.2 -10.5 28.5 103 107 A D H X S+ 0 0 2 -4,-3.0 4,-2.6 1,-0.2 -1,-0.2 0.868 109.9 49.7 -60.9 -32.9 43.5 -12.7 27.0 104 108 A K H X S+ 0 0 125 -4,-2.1 4,-2.7 -5,-0.2 -1,-0.2 0.896 109.6 51.1 -72.8 -36.0 45.6 -15.9 27.6 105 109 A N H X S+ 0 0 78 -4,-2.1 4,-1.7 2,-0.2 -2,-0.2 0.926 112.9 46.0 -64.4 -43.4 46.2 -14.9 31.2 106 110 A V H X S+ 0 0 0 -4,-2.7 4,-2.7 1,-0.2 -2,-0.2 0.917 112.0 51.5 -65.9 -41.6 42.4 -14.4 31.6 107 111 A N H X S+ 0 0 26 -4,-2.6 4,-3.1 2,-0.2 -2,-0.2 0.915 106.5 54.2 -57.9 -45.0 41.8 -17.7 29.8 108 112 A Q H X S+ 0 0 108 -4,-2.7 4,-2.0 1,-0.2 -1,-0.2 0.901 109.8 48.0 -59.1 -39.4 44.3 -19.5 32.2 109 113 A S H X S+ 0 0 32 -4,-1.7 4,-2.2 2,-0.2 -1,-0.2 0.928 109.9 51.0 -69.0 -46.2 42.3 -18.1 35.1 110 114 A L H X S+ 0 0 0 -4,-2.7 4,-2.2 1,-0.2 -2,-0.2 0.918 110.5 50.4 -50.8 -47.5 39.0 -19.3 33.5 111 115 A L H X S+ 0 0 87 -4,-3.1 4,-1.9 1,-0.2 -2,-0.2 0.898 110.0 49.2 -60.4 -39.6 40.6 -22.8 33.0 112 116 A E H X S+ 0 0 111 -4,-2.0 4,-2.5 2,-0.2 -1,-0.2 0.870 109.8 52.8 -67.9 -33.4 41.7 -22.9 36.7 113 117 A L H X S+ 0 0 5 -4,-2.2 4,-2.1 1,-0.2 -2,-0.2 0.896 109.4 48.8 -68.0 -40.4 38.1 -21.9 37.7 114 118 A H H X S+ 0 0 34 -4,-2.2 4,-2.2 2,-0.2 -2,-0.2 0.858 109.2 52.1 -67.8 -35.7 36.8 -24.7 35.7 115 119 A K H X S+ 0 0 131 -4,-1.9 4,-2.8 2,-0.2 -2,-0.2 0.958 111.1 48.6 -63.5 -49.4 39.2 -27.2 37.3 116 120 A L H X S+ 0 0 33 -4,-2.5 4,-1.5 1,-0.2 -2,-0.2 0.891 110.3 49.6 -56.2 -44.3 38.1 -26.0 40.7 117 121 A A H <>S+ 0 0 0 -4,-2.1 5,-2.7 1,-0.2 -1,-0.2 0.894 112.8 48.6 -65.0 -39.5 34.4 -26.4 39.7 118 122 A T H ><5S+ 0 0 67 -4,-2.2 3,-1.6 3,-0.2 -2,-0.2 0.915 109.7 51.5 -60.8 -47.5 35.1 -29.9 38.4 119 123 A D H 3<5S+ 0 0 85 -4,-2.8 -2,-0.2 1,-0.3 -1,-0.2 0.759 113.3 45.7 -63.5 -27.6 37.0 -30.8 41.7 120 124 A K T 3<5S- 0 0 72 -4,-1.5 -1,-0.3 -5,-0.2 -2,-0.2 0.316 112.1-122.1 -96.9 6.5 34.0 -29.6 43.7 121 125 A N T < 5 + 0 0 126 -3,-1.6 -3,-0.2 1,-0.2 3,-0.1 0.943 58.2 151.3 47.3 58.2 31.5 -31.4 41.4 122 126 A D >< + 0 0 2 -5,-2.7 4,-2.2 1,-0.1 -1,-0.2 -0.835 15.3 172.9-116.1 81.9 29.6 -28.3 40.5 123 127 A P H > S+ 0 0 92 0, 0.0 4,-2.4 0, 0.0 5,-0.2 0.825 76.5 58.9 -68.3 -27.9 28.3 -29.1 37.1 124 128 A H H > S+ 0 0 93 2,-0.2 4,-2.5 1,-0.2 5,-0.1 0.940 110.2 42.6 -62.1 -44.8 26.2 -25.9 36.9 125 129 A L H > S+ 0 0 0 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.904 112.2 54.6 -68.6 -41.3 29.4 -23.8 37.4 126 130 A C H X S+ 0 0 13 -4,-2.2 4,-2.3 1,-0.2 -1,-0.2 0.928 112.8 42.4 -54.0 -48.2 31.3 -25.9 34.9 127 131 A D H X S+ 0 0 87 -4,-2.4 4,-2.9 2,-0.2 5,-0.2 0.898 109.5 56.6 -72.6 -38.1 28.7 -25.4 32.3 128 132 A F H X>S+ 0 0 13 -4,-2.5 4,-2.3 -5,-0.2 5,-0.5 0.968 111.6 44.3 -50.7 -54.0 28.3 -21.7 33.0 129 133 A I H X>S+ 0 0 1 -4,-2.5 5,-2.1 1,-0.2 4,-1.6 0.903 116.5 45.6 -61.2 -43.6 32.1 -21.3 32.4 130 134 A E H <>S+ 0 0 85 -4,-2.3 5,-0.8 3,-0.2 -1,-0.2 0.848 115.7 47.6 -65.4 -36.8 32.0 -23.5 29.2 131 135 A T H <5S+ 0 0 77 -4,-2.9 -2,-0.2 -5,-0.2 -3,-0.2 0.916 127.9 17.1 -76.2 -44.5 28.9 -21.8 27.8 132 136 A H H <5S+ 0 0 62 -4,-2.3 -3,-0.2 -5,-0.2 -2,-0.2 0.701 133.6 27.8-103.6 -25.0 29.7 -18.1 28.2 133 137 A Y T X S+ 0 0 79 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.857 111.3 47.9 -61.5 -37.5 34.4 -16.8 23.5 137 141 A Q H X S+ 0 0 2 -4,-1.8 4,-2.5 2,-0.2 -2,-0.2 0.915 109.7 50.6 -71.8 -44.6 37.9 -16.7 25.0 138 142 A V H X S+ 0 0 77 -4,-2.2 4,-2.1 2,-0.2 -2,-0.2 0.867 111.4 49.5 -57.6 -39.6 39.3 -19.1 22.4 139 143 A K H X S+ 0 0 104 -4,-2.2 4,-2.7 2,-0.2 -2,-0.2 0.916 110.9 49.8 -67.8 -42.1 37.8 -17.1 19.6 140 144 A A H X S+ 0 0 20 -4,-1.9 4,-2.8 2,-0.2 5,-0.2 0.917 111.4 48.1 -61.1 -46.0 39.2 -13.8 21.0 141 145 A I H X S+ 0 0 30 -4,-2.5 4,-2.4 2,-0.2 -1,-0.2 0.915 112.0 49.2 -66.3 -39.9 42.7 -15.4 21.3 142 146 A K H X S+ 0 0 132 -4,-2.1 4,-2.9 1,-0.2 -2,-0.2 0.940 113.1 48.0 -65.5 -43.1 42.5 -16.8 17.7 143 147 A E H X S+ 0 0 81 -4,-2.7 4,-2.4 2,-0.2 -2,-0.2 0.913 111.7 48.2 -59.8 -47.5 41.4 -13.3 16.4 144 148 A L H X S+ 0 0 2 -4,-2.8 4,-2.7 2,-0.2 5,-0.2 0.888 111.8 51.1 -63.4 -38.5 44.2 -11.5 18.3 145 149 A G H X S+ 0 0 19 -4,-2.4 4,-2.7 -5,-0.2 -2,-0.2 0.940 109.2 50.3 -61.8 -45.4 46.7 -14.0 17.0 146 150 A D H X S+ 0 0 64 -4,-2.9 4,-2.5 2,-0.2 5,-0.2 0.924 111.6 48.9 -54.8 -46.4 45.4 -13.4 13.4 147 151 A H H X S+ 0 0 20 -4,-2.4 4,-2.7 2,-0.2 5,-0.2 0.948 111.0 48.4 -61.0 -52.6 45.8 -9.7 13.9 148 152 A V H X S+ 0 0 3 -4,-2.7 4,-2.5 1,-0.2 5,-0.2 0.939 111.7 51.2 -50.5 -48.9 49.3 -9.9 15.3 149 153 A T H X S+ 0 0 67 -4,-2.7 4,-2.8 -5,-0.2 -2,-0.2 0.952 111.7 46.0 -55.5 -51.3 50.3 -12.2 12.4 150 154 A N H X S+ 0 0 78 -4,-2.5 4,-2.0 1,-0.2 6,-0.2 0.937 112.4 50.0 -62.5 -43.8 49.0 -9.8 9.8 151 155 A L H X>S+ 0 0 0 -4,-2.7 5,-2.7 -5,-0.2 4,-0.6 0.928 112.8 47.3 -59.2 -42.7 50.6 -6.8 11.4 152 156 A R H ><5S+ 0 0 141 -4,-2.5 3,-1.3 1,-0.2 -2,-0.2 0.946 112.1 48.9 -65.2 -49.1 53.9 -8.5 11.6 153 157 A K H 3<5S+ 0 0 179 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.777 107.1 55.7 -61.4 -32.3 53.7 -9.7 8.0 154 158 A M H 3<5S- 0 0 73 -4,-2.0 -1,-0.3 -5,-0.2 -2,-0.2 0.619 125.0-101.9 -74.8 -15.0 52.8 -6.2 6.8 155 159 A G T S+ 0 0 54 -2,-0.9 4,-2.2 2,-0.2 -1,-0.2 0.791 88.7 62.5 -67.8 -28.8 53.5 3.2 9.8 161 165 A L H > S+ 0 0 116 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.916 100.9 51.7 -51.1 -49.1 52.0 2.4 6.4 162 166 A A H > S+ 0 0 4 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.944 111.1 44.8 -59.0 -52.0 51.3 -1.1 7.6 163 167 A E H X S+ 0 0 17 -4,-1.7 4,-2.4 1,-0.2 -1,-0.2 0.897 114.0 51.2 -62.2 -39.0 49.5 0.0 10.8 164 168 A Y H X S+ 0 0 124 -4,-2.2 4,-1.7 2,-0.2 -1,-0.2 0.919 113.7 43.4 -60.3 -47.3 47.5 2.7 8.8 165 169 A L H X S+ 0 0 63 -4,-2.6 4,-3.1 2,-0.2 5,-0.4 0.882 112.3 52.3 -72.6 -35.7 46.3 0.2 6.2 166 170 A F H X>S+ 0 0 2 -4,-2.5 4,-2.7 -5,-0.2 5,-1.9 0.944 108.1 52.1 -61.6 -48.6 45.5 -2.5 8.8 167 171 A D H <5S+ 0 0 4 -4,-2.4 5,-0.2 -5,-0.2 -1,-0.2 0.897 117.2 40.1 -51.1 -45.2 43.3 -0.0 10.7 168 172 A K H <5S+ 0 0 103 -4,-1.7 4,-0.3 3,-0.2 -2,-0.2 0.957 125.3 31.6 -69.6 -51.1 41.5 0.8 7.5 169 173 A H H <5S+ 0 0 151 -4,-3.1 -3,-0.2 2,-0.1 -2,-0.2 0.714 131.9 24.0 -92.0 -27.5 41.1 -2.7 5.9 170 174 A T T <5S+ 0 0 67 -4,-2.7 -3,-0.2 -5,-0.4 -4,-0.1 0.822 131.7 31.7-102.2 -48.9 40.9 -5.0 8.9 171 175 A L < 0 0 27 -5,-1.9 -3,-0.2 0, 0.0 -4,-0.2 0.619 360.0 360.0 -86.5 -11.0 39.6 -2.9 11.8 172 176 A G 0 0 73 -6,-0.4 -4,-0.1 -4,-0.3 -3,-0.0 -0.210 360.0 360.0 -86.8 360.0 37.5 -0.5 9.7