==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=1-MAR-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 29-FEB-12 4DYY . COMPND 2 MOLECULE: FERRITIN HEAVY CHAIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR F.A.TEZCAN,D.J.E.HUARD . 172 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9694.0 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 . 8 4.7 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 . 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 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 0.000 360.0 360.0 360.0 146.2 18.8 23.7 54.7 2 6 A S - 0 0 29 71,-0.4 72,-0.0 1,-0.1 3,-0.0 -0.223 360.0-134.0 -63.7 146.8 18.1 21.5 51.6 3 7 A Q S S+ 0 0 196 1,-0.2 -1,-0.1 3,-0.0 70,-0.0 0.715 111.5 44.8 -66.9 -21.8 19.6 18.0 51.2 4 8 A V S S+ 0 0 74 69,-0.0 -1,-0.2 2,-0.0 69,-0.1 0.666 83.7 117.5 -96.0 -19.7 20.4 19.1 47.6 5 9 A R + 0 0 68 68,-0.2 2,-0.3 2,-0.0 68,-0.1 -0.266 32.5 156.4 -62.0 126.7 21.7 22.7 48.3 6 10 A Q - 0 0 155 66,-0.5 3,-0.1 -2,-0.0 -3,-0.0 -0.931 65.7 -11.0-154.6 125.7 25.3 23.1 47.3 7 11 A N S S+ 0 0 98 -2,-0.3 2,-0.7 1,-0.2 -2,-0.0 0.780 90.0 137.4 57.2 32.0 27.3 26.3 46.4 8 12 A Y - 0 0 13 64,-0.1 -1,-0.2 4,-0.0 2,-0.0 -0.863 44.1-146.8-117.0 100.5 24.0 28.3 46.3 9 13 A H >> - 0 0 74 -2,-0.7 4,-2.3 1,-0.1 3,-0.5 -0.304 18.5-125.1 -71.0 143.7 24.3 31.7 47.9 10 14 A Q H 3> S+ 0 0 143 1,-0.2 4,-2.0 2,-0.2 5,-0.1 0.835 113.4 54.2 -51.2 -38.0 21.4 33.3 49.8 11 15 A D H 3> S+ 0 0 70 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.855 107.4 49.9 -66.8 -38.0 21.8 36.4 47.5 12 16 A S H <> S+ 0 0 0 -3,-0.5 4,-2.6 2,-0.2 -2,-0.2 0.932 109.1 51.3 -66.1 -46.7 21.5 34.2 44.4 13 17 A E H X S+ 0 0 26 -4,-2.3 4,-1.9 1,-0.2 -2,-0.2 0.900 112.9 46.6 -53.5 -45.2 18.3 32.6 45.7 14 18 A A H X S+ 0 0 38 -4,-2.0 4,-2.0 2,-0.2 -2,-0.2 0.909 111.4 50.4 -65.8 -43.9 16.9 36.0 46.4 15 19 A A H X S+ 0 0 6 -4,-2.4 4,-2.3 2,-0.2 -2,-0.2 0.869 108.5 52.8 -63.7 -38.7 17.9 37.4 43.0 16 20 A I H X S+ 0 0 0 -4,-2.6 4,-2.6 2,-0.2 -1,-0.2 0.908 107.5 51.7 -62.6 -44.4 16.3 34.3 41.3 17 21 A N H X S+ 0 0 14 -4,-1.9 4,-1.6 1,-0.2 -2,-0.2 0.887 111.0 47.9 -57.7 -40.8 13.0 35.0 43.2 18 22 A R H X S+ 0 0 142 -4,-2.0 4,-1.8 2,-0.2 -2,-0.2 0.881 110.7 51.3 -66.9 -38.7 13.1 38.6 41.9 19 23 A Q H X S+ 0 0 1 -4,-2.3 4,-2.4 2,-0.2 5,-0.2 0.905 105.1 56.3 -66.6 -41.3 13.8 37.4 38.4 20 24 A I H X S+ 0 0 2 -4,-2.6 4,-2.3 1,-0.2 -1,-0.2 0.936 108.7 47.7 -51.8 -49.8 10.8 35.0 38.5 21 25 A N H X S+ 0 0 29 -4,-1.6 4,-2.2 1,-0.2 -1,-0.2 0.867 110.1 51.8 -61.9 -38.8 8.6 37.9 39.3 22 26 A L H X S+ 0 0 42 -4,-1.8 4,-2.8 2,-0.2 -1,-0.2 0.879 109.1 49.5 -66.0 -40.1 10.0 40.1 36.5 23 27 A E H X S+ 0 0 0 -4,-2.4 4,-2.3 2,-0.2 -2,-0.2 0.920 111.7 49.1 -64.2 -43.5 9.4 37.3 33.9 24 28 A L H X S+ 0 0 28 -4,-2.3 4,-1.7 -5,-0.2 -2,-0.2 0.880 111.3 50.6 -61.7 -38.4 5.8 37.0 35.2 25 29 A Y H X S+ 0 0 49 -4,-2.2 4,-2.4 2,-0.2 -2,-0.2 0.945 109.2 49.7 -62.3 -50.8 5.5 40.8 34.9 26 30 A A H X S+ 0 0 0 -4,-2.8 4,-2.3 1,-0.2 -2,-0.2 0.908 109.3 52.8 -54.0 -44.7 6.8 40.8 31.3 27 31 A S H X S+ 0 0 17 -4,-2.3 4,-2.0 1,-0.2 -1,-0.2 0.898 109.8 49.0 -57.1 -42.1 4.3 38.0 30.5 28 32 A Y H X S+ 0 0 110 -4,-1.7 4,-2.5 2,-0.2 -2,-0.2 0.865 107.7 53.0 -68.5 -39.8 1.5 40.2 31.9 29 33 A V H X S+ 0 0 6 -4,-2.4 4,-2.5 2,-0.2 -2,-0.2 0.942 110.6 48.5 -57.9 -49.1 2.6 43.3 30.0 30 34 A Y H X S+ 0 0 0 -4,-2.3 4,-3.1 1,-0.2 -2,-0.2 0.894 109.4 52.1 -59.8 -41.8 2.5 41.2 26.8 31 35 A L H X S+ 0 0 60 -4,-2.0 4,-2.5 2,-0.2 5,-0.2 0.926 109.1 50.6 -58.7 -45.5 -1.0 39.9 27.7 32 36 A S H X S+ 0 0 35 -4,-2.5 4,-1.8 1,-0.2 -2,-0.2 0.925 112.7 46.0 -56.7 -47.8 -2.2 43.5 28.2 33 37 A M H X S+ 0 0 1 -4,-2.5 4,-1.7 2,-0.2 -2,-0.2 0.926 109.8 55.3 -61.2 -47.3 -0.8 44.4 24.8 34 38 A S H < S+ 0 0 4 -4,-3.1 4,-0.5 1,-0.2 3,-0.4 0.938 109.9 44.4 -50.2 -54.8 -2.3 41.3 23.2 35 39 A E H >< S+ 0 0 107 -4,-2.5 3,-1.2 1,-0.2 -1,-0.2 0.838 105.8 62.9 -64.7 -34.0 -5.9 42.1 24.4 36 40 A Y H >< S+ 0 0 18 -4,-1.8 3,-1.6 1,-0.3 7,-0.3 0.904 100.7 52.1 -54.9 -44.6 -5.5 45.8 23.4 37 41 A F T 3< S+ 0 0 0 -4,-1.7 7,-2.2 -3,-0.4 -1,-0.3 0.592 101.6 61.7 -72.9 -8.4 -5.1 44.8 19.7 38 42 A D T < S+ 0 0 84 -3,-1.2 -1,-0.3 -4,-0.5 -2,-0.2 0.346 77.8 118.9 -94.0 1.4 -8.3 42.8 19.9 39 43 A R S X> S- 0 0 87 -3,-1.6 4,-2.3 -4,-0.2 3,-2.0 -0.435 74.6-124.6 -66.4 143.8 -10.3 45.9 20.7 40 44 A D T 34 S+ 0 0 159 1,-0.3 -1,-0.1 2,-0.2 -3,-0.0 0.777 113.5 50.5 -61.5 -26.7 -13.0 46.7 18.2 41 45 A D T 34 S+ 0 0 101 1,-0.0 -1,-0.3 0, 0.0 -2,-0.1 0.239 121.6 32.6 -95.9 11.1 -11.5 50.2 17.8 42 46 A V T <4 S+ 0 0 32 -3,-2.0 -2,-0.2 -5,-0.1 -5,-0.1 0.554 75.8 173.6-122.0 -64.7 -8.0 48.8 17.2 43 47 A A < + 0 0 60 -4,-2.3 2,-0.6 -7,-0.3 -5,-0.2 0.875 18.3 144.7 60.8 50.7 -8.6 45.4 15.4 44 48 A L > - 0 0 16 -7,-2.2 4,-2.1 1,-0.1 3,-0.3 -0.812 21.9-179.4-117.2 88.9 -5.1 44.3 14.6 45 49 A K H > S+ 0 0 149 -2,-0.6 4,-2.0 1,-0.2 -1,-0.1 0.790 76.6 50.5 -67.7 -33.4 -5.4 40.5 15.0 46 50 A N H > S+ 0 0 28 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.809 108.4 52.6 -77.7 -30.3 -1.8 39.6 14.1 47 51 A F H > S+ 0 0 0 -3,-0.3 4,-2.6 2,-0.2 5,-0.3 0.937 110.8 50.0 -59.2 -47.1 -0.4 42.1 16.6 48 52 A A H X S+ 0 0 3 -4,-2.1 4,-1.9 -11,-0.2 -2,-0.2 0.910 112.7 45.6 -57.2 -46.1 -2.7 40.5 19.1 49 53 A K H X S+ 0 0 144 -4,-2.0 4,-2.4 2,-0.2 -1,-0.2 0.907 111.1 53.3 -64.4 -43.8 -1.4 37.0 18.2 50 54 A Y H X S+ 0 0 27 -4,-2.6 4,-2.1 1,-0.2 -2,-0.2 0.943 112.7 42.1 -57.5 -51.1 2.2 38.2 18.2 51 55 A F H X S+ 0 0 0 -4,-2.6 4,-2.4 1,-0.2 -1,-0.2 0.829 110.8 56.9 -71.5 -29.6 2.0 39.6 21.8 52 56 A H H X S+ 0 0 85 -4,-1.9 4,-1.9 -5,-0.3 -1,-0.2 0.921 108.1 48.1 -61.7 -43.6 0.0 36.6 23.0 53 57 A H H X S+ 0 0 117 -4,-2.4 4,-2.0 2,-0.2 -2,-0.2 0.920 111.0 50.5 -60.6 -45.7 2.9 34.4 21.8 54 58 A Q H X S+ 0 0 11 -4,-2.1 4,-2.4 1,-0.2 -2,-0.2 0.888 106.6 56.3 -61.1 -39.0 5.4 36.7 23.6 55 59 A S H X S+ 0 0 6 -4,-2.4 4,-1.6 1,-0.2 -1,-0.2 0.924 110.0 43.8 -57.0 -48.0 3.3 36.4 26.8 56 60 A H H X S+ 0 0 108 -4,-1.9 4,-1.9 2,-0.2 -1,-0.2 0.803 109.6 57.1 -72.0 -28.9 3.5 32.6 26.8 57 61 A E H X S+ 0 0 50 -4,-2.0 4,-2.1 2,-0.2 -2,-0.2 0.938 106.8 48.4 -62.9 -48.5 7.2 32.7 26.0 58 62 A E H X S+ 0 0 2 -4,-2.4 4,-2.1 1,-0.2 -2,-0.2 0.863 107.1 57.8 -59.8 -35.6 7.9 34.9 29.1 59 63 A H H X S+ 0 0 75 -4,-1.6 4,-2.2 2,-0.2 -1,-0.2 0.927 105.5 48.8 -59.8 -44.8 5.8 32.4 31.0 60 64 A E H X S+ 0 0 81 -4,-1.9 4,-2.1 2,-0.2 -2,-0.2 0.890 107.7 55.4 -61.2 -39.2 8.2 29.6 29.9 61 65 A H H X S+ 0 0 12 -4,-2.1 4,-1.5 1,-0.2 -1,-0.2 0.897 108.6 48.1 -59.0 -40.2 11.1 31.8 31.0 62 66 A A H X S+ 0 0 0 -4,-2.1 4,-2.2 1,-0.2 -2,-0.2 0.885 108.4 55.4 -66.0 -41.0 9.5 32.0 34.4 63 67 A H H X S+ 0 0 85 -4,-2.2 4,-2.2 2,-0.2 -2,-0.2 0.899 105.7 49.8 -57.5 -46.4 9.0 28.3 34.5 64 68 A K H X S+ 0 0 51 -4,-2.1 4,-2.5 1,-0.2 -1,-0.2 0.885 111.0 50.0 -64.1 -40.3 12.7 27.5 33.9 65 69 A L H X S+ 0 0 0 -4,-1.5 4,-2.3 2,-0.2 -1,-0.2 0.895 110.2 49.7 -63.5 -41.9 13.7 29.9 36.7 66 70 A M H X S+ 0 0 31 -4,-2.2 4,-1.9 2,-0.2 -2,-0.2 0.888 111.4 50.0 -63.9 -38.5 11.3 28.3 39.1 67 71 A K H X S+ 0 0 99 -4,-2.2 4,-2.8 2,-0.2 -2,-0.2 0.916 108.7 52.0 -63.0 -46.1 12.7 24.9 38.1 68 72 A L H X S+ 0 0 0 -4,-2.5 4,-2.3 1,-0.2 6,-0.3 0.911 107.8 53.0 -55.9 -45.4 16.2 26.2 38.7 69 73 A Q H X>S+ 0 0 0 -4,-2.3 5,-2.1 1,-0.2 4,-0.6 0.925 113.2 42.2 -57.1 -48.7 15.2 27.4 42.2 70 74 A E H ><5S+ 0 0 110 -4,-1.9 3,-0.7 1,-0.2 -2,-0.2 0.900 113.2 52.8 -67.2 -42.9 13.8 23.9 43.2 71 75 A Q H 3<5S+ 0 0 120 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.875 111.3 46.4 -59.9 -40.0 16.7 22.0 41.6 72 76 A R H 3<5S- 0 0 27 -4,-2.3 -66,-0.5 -5,-0.2 -1,-0.2 0.560 118.1-110.1 -82.8 -8.9 19.3 24.1 43.5 73 77 A G T <<5S+ 0 0 4 -3,-0.7 -71,-0.4 -4,-0.6 -3,-0.2 0.575 71.6 138.3 89.2 10.6 17.4 23.7 46.8 74 78 A G < - 0 0 1 -5,-2.1 2,-0.5 -6,-0.3 -1,-0.3 -0.318 54.3-115.7 -74.4 167.1 16.3 27.3 47.0 75 79 A R - 0 0 130 -2,-0.1 2,-0.3 2,-0.0 -58,-0.1 -0.943 21.8-128.0-112.2 125.4 12.8 28.2 48.2 76 80 A I - 0 0 51 -2,-0.5 2,-0.5 -10,-0.1 -62,-0.1 -0.543 22.7-173.4 -69.5 126.6 10.4 30.0 45.7 77 81 A F - 0 0 145 -2,-0.3 2,-0.1 -63,-0.1 -1,-0.0 -0.924 12.6-156.7-121.5 102.4 8.9 33.1 47.2 78 82 A L - 0 0 116 -2,-0.5 2,-0.3 -58,-0.1 -60,-0.1 -0.435 7.9-163.5 -77.5 153.4 6.3 34.4 44.8 79 83 A Q - 0 0 105 -62,-0.2 -1,-0.0 -2,-0.1 -2,-0.0 -0.851 35.3 -70.8-130.0 165.8 5.2 38.1 44.7 80 84 A D - 0 0 129 -2,-0.3 2,-0.9 1,-0.1 -55,-0.1 -0.298 44.3-126.7 -55.5 137.3 2.3 40.0 43.3 81 85 A I - 0 0 81 -57,-0.1 2,-0.1 -56,-0.0 -1,-0.1 -0.815 29.8-138.5 -89.0 107.5 2.3 40.3 39.6 82 86 A Q - 0 0 115 -2,-0.9 -54,-0.1 -61,-0.1 -3,-0.0 -0.419 14.2-116.0 -68.7 136.8 2.1 44.1 39.0 83 87 A K - 0 0 118 -2,-0.1 -54,-0.1 1,-0.1 -1,-0.1 -0.265 42.5 -89.7 -62.2 158.4 -0.2 45.4 36.2 84 88 A A - 0 0 10 2,-0.2 -1,-0.1 -56,-0.2 -58,-0.0 -0.177 31.2-109.7 -69.0 163.3 1.4 47.2 33.3 85 89 A D S S+ 0 0 136 2,-0.0 2,-0.3 0, 0.0 -1,-0.1 0.725 99.7 45.8 -64.6 -24.1 2.0 51.0 33.2 86 90 A E - 0 0 89 1,-0.1 -2,-0.2 -57,-0.0 3,-0.1 -0.887 44.3-176.0-125.0 151.7 -0.6 51.4 30.5 87 91 A D S S+ 0 0 114 -2,-0.3 2,-0.6 1,-0.2 -1,-0.1 0.622 91.3 49.6-100.7 -34.9 -4.2 50.2 29.7 88 92 A D - 0 0 69 1,-0.1 -1,-0.2 -52,-0.0 -55,-0.1 -0.928 64.5-170.3-113.8 112.6 -4.1 51.9 26.4 89 93 A W - 0 0 14 -2,-0.6 2,-2.6 -3,-0.1 6,-0.2 0.358 25.0-145.0 -89.7 4.4 -1.1 51.2 24.2 90 94 A E - 0 0 137 4,-0.1 2,-0.3 3,-0.1 -1,-0.1 -0.213 60.7 -9.4 73.2 -51.9 -1.9 53.8 21.6 91 95 A S S > S- 0 0 12 -2,-2.6 4,-2.3 1,-0.1 5,-0.2 -0.979 71.0 -92.5-167.1 167.1 -0.7 52.1 18.4 92 96 A G H > S+ 0 0 0 -2,-0.3 4,-2.1 2,-0.2 5,-0.2 0.917 124.0 47.9 -55.6 -47.7 1.2 49.2 16.9 93 97 A L H > S+ 0 0 9 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.912 110.6 50.4 -64.0 -44.4 4.4 51.2 16.9 94 98 A N H > S+ 0 0 39 2,-0.2 4,-2.9 1,-0.2 -1,-0.2 0.906 110.1 49.8 -61.2 -44.0 4.0 52.4 20.5 95 99 A A H X S+ 0 0 0 -4,-2.3 4,-2.7 2,-0.2 -1,-0.2 0.920 111.7 48.7 -60.1 -44.7 3.5 48.8 21.7 96 100 A M H X S+ 0 0 0 -4,-2.1 4,-2.5 2,-0.2 -2,-0.2 0.894 112.5 48.7 -61.6 -41.3 6.5 47.6 19.9 97 101 A E H X S+ 0 0 59 -4,-2.4 4,-2.1 2,-0.2 -2,-0.2 0.916 112.9 47.3 -64.1 -43.7 8.5 50.5 21.3 98 102 A A H X S+ 0 0 28 -4,-2.9 4,-2.3 2,-0.2 -2,-0.2 0.856 111.6 51.1 -64.7 -37.7 7.3 49.7 24.8 99 103 A A H X S+ 0 0 0 -4,-2.7 4,-2.7 2,-0.2 -2,-0.2 0.921 108.3 51.8 -65.1 -44.7 8.1 46.0 24.3 100 104 A L H X S+ 0 0 40 -4,-2.5 4,-1.9 2,-0.2 -2,-0.2 0.928 111.0 47.9 -56.1 -47.0 11.6 46.9 23.2 101 105 A H H X S+ 0 0 124 -4,-2.1 4,-1.9 1,-0.2 -2,-0.2 0.915 111.7 50.5 -60.6 -45.5 12.0 49.0 26.4 102 106 A L H X S+ 0 0 15 -4,-2.3 4,-2.5 1,-0.2 -2,-0.2 0.919 109.7 49.5 -57.0 -47.9 10.7 46.2 28.5 103 107 A E H X S+ 0 0 1 -4,-2.7 4,-2.3 1,-0.2 -1,-0.2 0.844 109.9 50.7 -65.8 -35.2 13.0 43.5 27.0 104 108 A K H X S+ 0 0 123 -4,-1.9 4,-2.1 2,-0.2 -1,-0.2 0.850 110.6 50.3 -69.4 -35.4 16.1 45.8 27.5 105 109 A N H X S+ 0 0 84 -4,-1.9 4,-2.0 2,-0.2 -2,-0.2 0.915 111.4 47.0 -65.7 -44.8 15.0 46.2 31.1 106 110 A V H X S+ 0 0 0 -4,-2.5 4,-2.0 1,-0.2 -2,-0.2 0.902 111.7 52.5 -62.4 -41.4 14.6 42.5 31.6 107 111 A N H X S+ 0 0 27 -4,-2.3 4,-2.3 2,-0.2 -2,-0.2 0.890 105.9 53.0 -60.9 -42.7 18.0 42.0 29.9 108 112 A Q H X S+ 0 0 103 -4,-2.1 4,-2.1 1,-0.2 -1,-0.2 0.929 109.5 49.4 -59.2 -45.0 19.7 44.5 32.3 109 113 A S H X S+ 0 0 31 -4,-2.0 4,-2.2 1,-0.2 -1,-0.2 0.873 110.4 50.4 -61.0 -40.0 18.3 42.5 35.3 110 114 A L H X S+ 0 0 0 -4,-2.0 4,-2.3 2,-0.2 -1,-0.2 0.869 108.8 51.6 -66.3 -38.1 19.6 39.3 33.8 111 115 A L H X S+ 0 0 78 -4,-2.3 4,-2.1 2,-0.2 -2,-0.2 0.882 110.9 47.8 -65.9 -38.8 23.1 40.8 33.3 112 116 A E H X S+ 0 0 111 -4,-2.1 4,-2.2 2,-0.2 -2,-0.2 0.891 110.6 52.4 -66.6 -40.6 23.1 41.9 36.9 113 117 A L H X S+ 0 0 7 -4,-2.2 4,-2.0 1,-0.2 -2,-0.2 0.894 109.2 50.0 -59.5 -42.0 22.0 38.4 37.9 114 118 A H H X S+ 0 0 37 -4,-2.3 4,-2.3 2,-0.2 -2,-0.2 0.898 108.3 51.8 -65.4 -41.6 24.9 37.0 35.9 115 119 A K H X S+ 0 0 123 -4,-2.1 4,-3.0 1,-0.2 -2,-0.2 0.909 109.0 51.4 -61.1 -41.8 27.4 39.3 37.6 116 120 A L H X S+ 0 0 37 -4,-2.2 4,-2.1 2,-0.2 -1,-0.2 0.904 109.2 50.0 -60.5 -43.7 26.1 38.1 41.0 117 121 A A H <>S+ 0 0 0 -4,-2.0 5,-3.2 2,-0.2 -2,-0.2 0.891 113.1 46.6 -61.1 -42.2 26.6 34.5 39.9 118 122 A T H ><5S+ 0 0 64 -4,-2.3 3,-1.5 3,-0.2 -2,-0.2 0.932 112.6 49.9 -63.9 -46.8 30.1 35.2 38.8 119 123 A D H 3<5S+ 0 0 96 -4,-3.0 -2,-0.2 1,-0.3 -1,-0.2 0.821 112.7 46.7 -62.4 -33.5 30.8 37.2 42.0 120 124 A K T 3<5S- 0 0 71 -4,-2.1 -1,-0.3 -5,-0.2 -2,-0.2 0.285 114.1-118.3 -92.0 10.2 29.5 34.3 44.2 121 125 A N T < 5 + 0 0 126 -3,-1.5 -3,-0.2 1,-0.2 -2,-0.1 0.932 63.5 147.7 49.5 53.6 31.5 31.8 42.1 122 126 A D >< + 0 0 2 -5,-3.2 4,-2.1 1,-0.1 -1,-0.2 -0.811 16.4 170.2-116.7 84.2 28.4 30.0 41.0 123 127 A P H > S+ 0 0 93 0, 0.0 4,-2.3 0, 0.0 5,-0.2 0.771 75.2 59.4 -70.4 -26.6 29.2 28.7 37.5 124 128 A H H > S+ 0 0 95 2,-0.2 4,-2.1 1,-0.2 5,-0.1 0.935 110.6 41.4 -63.2 -46.9 26.1 26.5 37.2 125 129 A L H > S+ 0 0 0 2,-0.2 4,-2.2 1,-0.2 5,-0.2 0.898 113.1 55.0 -66.8 -40.6 23.9 29.6 37.6 126 130 A A H X S+ 0 0 8 -4,-2.1 4,-2.2 1,-0.2 -2,-0.2 0.925 112.4 41.9 -57.8 -47.4 26.1 31.6 35.4 127 131 A D H X S+ 0 0 85 -4,-2.3 4,-3.4 2,-0.2 5,-0.3 0.844 109.2 58.6 -71.1 -35.0 25.8 29.1 32.6 128 132 A F H X S+ 0 0 20 -4,-2.1 4,-2.1 2,-0.2 5,-0.3 0.921 110.6 43.2 -57.3 -46.3 22.1 28.6 33.2 129 133 A I H X>S+ 0 0 0 -4,-2.2 5,-2.1 2,-0.2 4,-1.9 0.926 116.5 47.6 -65.5 -47.1 21.6 32.4 32.5 130 134 A E H <>S+ 0 0 83 -4,-2.2 5,-0.9 3,-0.2 -2,-0.2 0.938 117.0 42.0 -56.0 -51.7 24.0 32.3 29.5 131 135 A T H <5S+ 0 0 80 -4,-3.4 -2,-0.2 1,-0.2 -1,-0.2 0.892 128.5 23.4 -69.7 -43.6 22.4 29.2 27.9 132 136 A H H <5S+ 0 0 78 -4,-2.1 -1,-0.2 -5,-0.3 -3,-0.2 0.624 132.3 22.7-102.7 -15.3 18.7 29.9 28.4 133 137 A Y T X5S+ 0 0 2 -4,-1.9 4,-2.3 -5,-0.3 -3,-0.2 0.805 103.9 61.0-121.5 -49.2 18.4 33.7 28.8 134 138 A L H > S+ 0 0 58 2,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.900 108.7 46.2 -60.3 -42.6 17.1 34.8 23.9 137 141 A Q H X S+ 0 0 1 -4,-2.3 4,-3.0 2,-0.2 5,-0.2 0.931 111.6 50.6 -63.3 -48.8 17.0 38.5 25.1 138 142 A V H X S+ 0 0 80 -4,-1.9 4,-2.1 1,-0.2 -2,-0.2 0.894 113.2 46.5 -57.7 -43.4 19.5 39.6 22.4 139 143 A K H X S+ 0 0 106 -4,-2.5 4,-2.2 2,-0.2 -1,-0.2 0.904 113.8 48.2 -64.0 -43.5 17.3 37.9 19.7 140 144 A A H X S+ 0 0 15 -4,-2.2 4,-2.3 2,-0.2 -2,-0.2 0.902 111.8 48.8 -65.0 -44.3 14.1 39.4 21.2 141 145 A I H X S+ 0 0 32 -4,-3.0 4,-2.5 1,-0.2 -1,-0.2 0.917 112.1 49.2 -61.4 -45.6 15.5 42.9 21.4 142 146 A K H X S+ 0 0 123 -4,-2.1 4,-2.6 -5,-0.2 -2,-0.2 0.896 110.8 49.9 -61.8 -43.2 16.8 42.7 17.8 143 147 A E H X S+ 0 0 80 -4,-2.2 4,-2.4 2,-0.2 -2,-0.2 0.924 111.9 47.2 -63.2 -45.1 13.4 41.4 16.5 144 148 A L H X S+ 0 0 2 -4,-2.3 4,-3.0 2,-0.2 -2,-0.2 0.908 111.3 52.0 -64.5 -40.4 11.5 44.2 18.2 145 149 A G H X S+ 0 0 20 -4,-2.5 4,-2.6 2,-0.2 -2,-0.2 0.926 109.0 50.6 -57.5 -47.6 14.1 46.8 16.9 146 150 A D H X S+ 0 0 67 -4,-2.6 4,-2.3 2,-0.2 -2,-0.2 0.917 112.3 47.3 -53.4 -47.5 13.5 45.4 13.4 147 151 A H H X S+ 0 0 18 -4,-2.4 4,-2.5 2,-0.2 -2,-0.2 0.925 111.3 49.5 -64.3 -47.0 9.7 45.7 13.9 148 152 A V H X S+ 0 0 3 -4,-3.0 4,-2.6 1,-0.2 -2,-0.2 0.931 111.3 51.6 -55.5 -47.6 10.0 49.3 15.2 149 153 A T H X S+ 0 0 61 -4,-2.6 4,-2.7 2,-0.2 5,-0.2 0.928 110.9 45.5 -56.3 -54.1 12.2 50.2 12.3 150 154 A N H X S+ 0 0 79 -4,-2.3 4,-2.1 2,-0.2 -1,-0.2 0.926 113.1 50.0 -57.5 -46.8 9.8 48.9 9.6 151 155 A L H X>S+ 0 0 0 -4,-2.5 5,-2.9 2,-0.2 4,-0.7 0.915 113.2 46.7 -59.4 -45.4 6.7 50.5 11.2 152 156 A R H ><5S+ 0 0 141 -4,-2.6 3,-1.1 1,-0.2 -2,-0.2 0.942 113.4 47.6 -59.1 -52.4 8.5 53.9 11.4 153 157 A K H 3<5S+ 0 0 179 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.787 108.8 55.4 -62.7 -28.6 9.8 53.7 7.8 154 158 A M H 3<5S- 0 0 76 -4,-2.1 -1,-0.3 -5,-0.2 -2,-0.2 0.638 127.2 -97.6 -78.4 -17.0 6.3 52.7 6.6 155 159 A G T S+ 0 0 53 -2,-0.8 4,-2.2 2,-0.2 -1,-0.2 0.774 87.3 61.7 -68.6 -29.0 -3.1 53.4 10.0 161 165 A L H > S+ 0 0 118 2,-0.2 4,-2.8 1,-0.2 5,-0.2 0.877 100.0 54.2 -62.0 -41.1 -2.5 51.8 6.5 162 166 A A H > S+ 0 0 4 2,-0.2 4,-2.4 1,-0.2 -2,-0.2 0.936 110.5 44.4 -58.1 -49.9 1.1 51.2 7.6 163 167 A E H X S+ 0 0 15 -4,-1.3 4,-2.1 2,-0.2 -2,-0.2 0.875 113.9 51.2 -65.1 -38.0 0.1 49.3 10.8 164 168 A Y H X S+ 0 0 119 -4,-2.2 4,-1.7 2,-0.2 -2,-0.2 0.940 112.8 44.6 -62.2 -48.9 -2.6 47.4 8.9 165 169 A L H X S+ 0 0 62 -4,-2.8 4,-2.7 1,-0.2 5,-0.3 0.860 113.1 50.8 -66.5 -36.5 -0.1 46.3 6.2 166 170 A F H X>S+ 0 0 2 -4,-2.4 4,-2.2 2,-0.2 5,-1.8 0.896 107.7 53.5 -65.3 -41.9 2.6 45.4 8.7 167 171 A D H <5S+ 0 0 5 -4,-2.1 5,-0.3 -5,-0.2 -2,-0.2 0.897 116.3 40.1 -56.8 -41.6 0.1 43.3 10.7 168 172 A K H <5S+ 0 0 104 -4,-1.7 -2,-0.2 3,-0.2 -1,-0.2 0.902 124.1 32.7 -76.2 -43.2 -0.7 41.4 7.4 169 173 A H H <5S+ 0 0 143 -4,-2.7 -3,-0.2 -5,-0.1 -2,-0.2 0.727 130.4 23.4 -96.2 -28.0 2.8 41.0 5.9 170 174 A T T <5S+ 0 0 71 -4,-2.2 -3,-0.2 -5,-0.3 -4,-0.1 0.815 131.6 32.8-101.5 -48.6 5.2 40.7 8.8 171 175 A L < 0 0 29 -5,-1.8 -3,-0.2 0, 0.0 -4,-0.1 0.664 360.0 360.0 -86.4 -17.8 3.1 39.4 11.7 172 176 A G 0 0 70 -6,-0.4 -4,-0.1 -5,-0.3 -3,-0.0 -0.243 360.0 360.0-107.1 360.0 0.6 37.3 9.7