==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=27-MAY-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER METAL TRANSPORT 06-JUN-07 2V2R . COMPND 2 MOLECULE: FERRITIN LIGHT CHAIN; . SOURCE 2 ORGANISM_SCIENTIFIC: EQUUS CABALLUS; . AUTHOR N.DE VAL,J.P.DECLERCQ . 171 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9622.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 130 76.0 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 . 2 1.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 5 2.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 117 68.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 2.9 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 1 1 0 0 0 0 0 0 0 0 0 0 0 0 1 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 2 A S 0 0 96 0, 0.0 72,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 137.7 52.2 18.1 21.2 2 3 A Q + 0 0 197 1,-0.2 70,-0.0 3,-0.0 0, 0.0 0.688 360.0 35.2 -74.6 -15.8 51.4 19.4 17.7 3 4 A I S S+ 0 0 90 69,-0.1 -1,-0.2 2,-0.0 69,-0.1 0.632 81.6 119.3-113.0 -18.0 47.8 20.5 18.8 4 5 A R + 0 0 76 68,-0.2 2,-0.3 2,-0.0 68,-0.1 -0.260 31.7 160.0 -63.5 132.1 48.0 21.6 22.4 5 6 A Q - 0 0 155 66,-0.5 3,-0.1 3,-0.0 -3,-0.0 -0.910 64.0 -7.5-156.2 123.1 47.0 25.3 23.0 6 7 A N S S+ 0 0 94 -2,-0.3 2,-0.6 1,-0.2 -2,-0.0 0.797 91.6 131.2 62.0 28.5 45.9 27.1 26.1 7 8 A Y - 0 0 11 64,-0.1 -1,-0.2 114,-0.0 114,-0.0 -0.894 46.4-150.5-117.1 100.4 45.9 23.8 28.0 8 9 A S > - 0 0 20 -2,-0.6 4,-2.3 1,-0.1 5,-0.1 -0.248 22.0-123.9 -72.4 155.7 47.7 24.1 31.4 9 10 A T H > S+ 0 0 94 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.854 112.3 59.1 -64.2 -32.8 49.5 21.2 33.1 10 11 A E H > S+ 0 0 94 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.916 107.9 43.8 -61.8 -48.1 47.3 21.9 36.2 11 12 A V H > S+ 0 0 0 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.927 110.7 55.1 -62.5 -45.3 44.1 21.3 34.2 12 13 A E H X S+ 0 0 33 -4,-2.3 4,-1.9 1,-0.2 -2,-0.2 0.929 112.2 44.0 -51.3 -50.2 45.6 18.2 32.5 13 14 A A H X S+ 0 0 35 -4,-2.3 4,-2.2 1,-0.2 -1,-0.2 0.904 112.3 51.5 -62.6 -46.0 46.4 16.8 36.0 14 15 A A H X S+ 0 0 15 -4,-2.3 4,-2.3 2,-0.2 -1,-0.2 0.883 107.6 52.9 -61.0 -40.8 43.0 17.8 37.4 15 16 A V H X S+ 0 0 0 -4,-2.7 4,-2.5 2,-0.2 -2,-0.2 0.910 108.0 51.4 -61.1 -41.7 41.2 16.1 34.5 16 17 A N H X S+ 0 0 19 -4,-1.9 4,-1.7 -5,-0.2 -2,-0.2 0.898 109.9 49.1 -62.8 -41.7 43.1 12.9 35.2 17 18 A R H X S+ 0 0 159 -4,-2.2 4,-1.9 2,-0.2 -2,-0.2 0.906 110.4 51.5 -60.1 -43.8 42.1 13.0 38.9 18 19 A L H X S+ 0 0 5 -4,-2.3 4,-2.6 1,-0.2 5,-0.2 0.894 104.7 55.5 -63.7 -37.2 38.4 13.6 37.8 19 20 A V H X S+ 0 0 3 -4,-2.5 4,-2.8 1,-0.2 -1,-0.2 0.934 107.9 49.8 -57.4 -43.4 38.5 10.6 35.5 20 21 A N H X S+ 0 0 44 -4,-1.7 4,-2.7 1,-0.2 -2,-0.2 0.924 109.7 51.4 -61.7 -39.2 39.6 8.5 38.5 21 22 A L H X S+ 0 0 64 -4,-1.9 4,-2.0 2,-0.2 -1,-0.2 0.901 111.3 46.5 -67.6 -44.0 36.8 9.9 40.6 22 23 A Y H X S+ 0 0 5 -4,-2.6 4,-2.6 2,-0.2 -1,-0.2 0.924 112.9 49.6 -64.2 -42.7 34.2 9.0 37.8 23 24 A L H X S+ 0 0 30 -4,-2.8 4,-2.2 -5,-0.2 -2,-0.2 0.908 111.1 49.5 -62.5 -43.3 35.6 5.5 37.4 24 25 A R H X S+ 0 0 78 -4,-2.7 4,-2.2 -5,-0.2 -1,-0.2 0.888 109.9 51.0 -64.2 -35.4 35.5 5.0 41.2 25 26 A A H X S+ 0 0 0 -4,-2.0 4,-2.5 2,-0.2 5,-0.2 0.915 108.2 52.9 -63.9 -44.2 31.8 6.2 41.3 26 27 A S H X S+ 0 0 13 -4,-2.6 4,-2.1 1,-0.2 -2,-0.2 0.933 109.2 49.1 -54.6 -49.5 31.0 3.8 38.5 27 28 A Y H X S+ 0 0 99 -4,-2.2 4,-1.9 2,-0.2 -2,-0.2 0.883 109.1 52.9 -57.0 -45.4 32.5 1.0 40.6 28 29 A T H X S+ 0 0 10 -4,-2.2 4,-2.3 2,-0.2 -2,-0.2 0.910 110.1 47.2 -53.2 -49.3 30.5 2.1 43.6 29 30 A Y H X S+ 0 0 0 -4,-2.5 4,-2.8 2,-0.2 -2,-0.2 0.815 107.0 57.1 -65.2 -36.0 27.3 2.0 41.7 30 31 A L H X S+ 0 0 76 -4,-2.1 4,-2.4 -5,-0.2 -1,-0.2 0.926 110.3 45.1 -57.9 -45.2 28.1 -1.4 40.3 31 32 A S H X S+ 0 0 35 -4,-1.9 4,-2.0 2,-0.2 -2,-0.2 0.923 112.9 50.0 -63.3 -45.5 28.5 -2.7 43.9 32 33 A L H X S+ 0 0 0 -4,-2.3 4,-1.6 2,-0.2 -2,-0.2 0.916 110.7 51.1 -57.6 -49.2 25.3 -1.0 44.9 33 34 A G H X S+ 0 0 0 -4,-2.8 4,-0.9 1,-0.2 -2,-0.2 0.947 111.5 45.1 -56.1 -52.0 23.4 -2.5 41.9 34 35 A F H < S+ 0 0 91 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.805 106.7 59.4 -69.8 -23.6 24.5 -6.0 42.6 35 36 A Y H >< S+ 0 0 32 -4,-2.0 3,-1.6 1,-0.2 7,-0.3 0.917 105.5 49.9 -63.8 -43.5 23.8 -5.8 46.4 36 37 A F H 3< S+ 0 0 0 -4,-1.6 7,-2.3 1,-0.3 11,-0.2 0.697 104.6 59.4 -73.1 -15.4 20.1 -5.0 45.5 37 38 A D T 3< S+ 0 0 101 -4,-0.9 -1,-0.3 5,-0.2 -2,-0.2 0.422 79.5 116.9 -82.8 -5.5 20.1 -8.1 43.2 38 39 A R S X> S- 0 0 83 -3,-1.6 4,-2.4 -4,-0.2 3,-1.9 -0.424 76.3-124.3 -64.1 143.8 21.0 -10.4 46.2 39 40 A D T 34 S+ 0 0 158 1,-0.3 -1,-0.1 2,-0.2 -3,-0.0 0.747 112.7 52.1 -61.3 -23.5 18.2 -12.9 46.9 40 41 A D T 34 S+ 0 0 102 1,-0.0 -1,-0.3 0, 0.0 -2,-0.1 0.305 120.0 32.7 -96.0 7.9 18.0 -11.6 50.5 41 42 A V T <4 S+ 0 0 31 -3,-1.9 -2,-0.2 -6,-0.1 -5,-0.1 0.591 80.0 171.6-118.9 -62.7 17.6 -8.0 49.3 42 43 A A < + 0 0 64 -4,-2.4 2,-0.5 -7,-0.3 -5,-0.2 0.873 16.0 143.7 60.2 52.9 15.7 -8.5 46.1 43 44 A L >> - 0 0 17 -7,-2.3 4,-2.1 1,-0.1 3,-0.7 -0.800 22.1-178.3-123.3 91.9 14.7 -5.0 45.0 44 45 A E H 3> S+ 0 0 111 -2,-0.5 4,-2.8 1,-0.3 5,-0.2 0.857 79.3 54.0 -64.2 -39.5 15.0 -5.1 41.2 45 46 A G H 3> S+ 0 0 2 1,-0.2 4,-1.7 2,-0.2 -1,-0.3 0.831 110.8 48.7 -64.9 -30.9 14.0 -1.5 40.5 46 47 A V H <> S+ 0 0 0 -3,-0.7 4,-2.0 2,-0.2 5,-0.2 0.909 110.5 50.0 -73.0 -43.6 16.8 -0.4 43.0 47 48 A C H X S+ 0 0 6 -4,-2.1 4,-2.6 -11,-0.2 5,-0.2 0.941 112.1 48.7 -54.3 -50.6 19.3 -2.7 41.3 48 49 A H H X S+ 0 0 71 -4,-2.8 4,-2.3 1,-0.2 5,-0.2 0.898 107.8 54.7 -62.8 -43.2 18.4 -1.2 37.9 49 50 A F H X S+ 0 0 7 -4,-1.7 4,-1.6 -5,-0.2 -1,-0.2 0.911 113.6 40.9 -51.7 -48.9 18.6 2.4 39.1 50 51 A F H X S+ 0 0 0 -4,-2.0 4,-2.4 2,-0.2 -2,-0.2 0.878 112.0 54.3 -79.0 -32.4 22.2 1.9 40.3 51 52 A R H X S+ 0 0 116 -4,-2.6 4,-1.8 -5,-0.2 -1,-0.2 0.907 108.0 50.9 -65.9 -37.2 23.3 -0.2 37.3 52 53 A Q H X S+ 0 0 65 -4,-2.3 4,-2.1 -5,-0.2 -1,-0.2 0.916 110.1 50.6 -65.1 -42.4 22.1 2.6 35.0 53 54 A L H X S+ 0 0 2 -4,-1.6 4,-2.3 2,-0.2 -2,-0.2 0.860 105.2 55.8 -63.2 -37.3 24.1 5.1 37.1 54 55 A A H X S+ 0 0 8 -4,-2.4 4,-2.0 2,-0.2 -1,-0.2 0.924 109.9 46.8 -55.8 -47.8 27.3 2.9 36.9 55 56 A Q H X S+ 0 0 121 -4,-1.8 4,-2.2 1,-0.2 -2,-0.2 0.905 110.7 52.6 -59.1 -43.8 26.9 3.1 33.1 56 57 A Q H X S+ 0 0 77 -4,-2.1 4,-2.1 2,-0.2 -2,-0.2 0.877 109.5 47.6 -60.5 -42.8 26.4 6.9 33.2 57 58 A K H X S+ 0 0 9 -4,-2.3 4,-2.5 2,-0.2 -1,-0.2 0.892 109.8 52.8 -70.1 -37.7 29.5 7.5 35.3 58 59 A M H X S+ 0 0 74 -4,-2.0 4,-2.3 2,-0.2 -2,-0.2 0.906 108.8 51.4 -62.3 -42.2 31.6 5.3 33.0 59 60 A Q H X S+ 0 0 86 -4,-2.2 4,-2.1 2,-0.2 -2,-0.2 0.913 107.5 52.1 -58.9 -42.4 30.3 7.5 30.1 60 61 A G H X S+ 0 0 7 -4,-2.1 4,-2.2 2,-0.2 -2,-0.2 0.936 109.4 49.8 -59.5 -46.6 31.3 10.6 32.0 61 62 A A H X S+ 0 0 0 -4,-2.5 4,-2.1 2,-0.2 -2,-0.2 0.914 110.7 49.8 -52.5 -47.5 34.9 9.1 32.4 62 63 A E H X S+ 0 0 110 -4,-2.3 4,-2.4 1,-0.2 -2,-0.2 0.881 109.8 50.5 -66.2 -35.7 35.1 8.3 28.7 63 64 A R H X S+ 0 0 103 -4,-2.1 4,-2.1 2,-0.2 -1,-0.2 0.893 109.5 50.9 -68.6 -39.0 33.9 11.8 27.7 64 65 A L H X S+ 0 0 0 -4,-2.2 4,-2.0 2,-0.2 -2,-0.2 0.893 111.5 48.4 -65.1 -38.7 36.6 13.3 30.0 65 66 A L H X S+ 0 0 33 -4,-2.1 4,-2.0 2,-0.2 -2,-0.2 0.883 108.2 53.5 -68.5 -40.3 39.2 11.1 28.3 66 67 A K H X S+ 0 0 138 -4,-2.4 4,-2.2 1,-0.2 -2,-0.2 0.936 112.2 46.0 -55.3 -47.4 38.0 12.0 24.8 67 68 A M H X S+ 0 0 0 -4,-2.1 4,-2.2 2,-0.2 6,-0.2 0.857 105.7 58.0 -64.6 -41.5 38.4 15.7 25.7 68 69 A Q H <>S+ 0 0 0 -4,-2.0 5,-2.2 1,-0.2 4,-0.4 0.938 112.1 43.0 -55.5 -47.2 41.9 15.2 27.3 69 70 A N H ><5S+ 0 0 94 -4,-2.0 3,-1.0 1,-0.2 -2,-0.2 0.869 109.3 56.7 -65.3 -40.3 43.0 13.8 23.9 70 71 A Q H 3<5S+ 0 0 110 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.856 110.6 45.9 -57.7 -37.8 41.2 16.6 22.0 71 72 A R T 3<5S- 0 0 26 -4,-2.2 -66,-0.5 -5,-0.1 -1,-0.2 0.498 118.8-109.7 -81.5 -8.0 43.2 19.2 23.9 72 73 A G T < 5S+ 0 0 2 -3,-1.0 -3,-0.2 -4,-0.4 -68,-0.2 0.532 73.9 132.4 87.4 8.2 46.6 17.4 23.6 73 74 A G < - 0 0 0 -5,-2.2 2,-0.5 -6,-0.2 -1,-0.3 -0.292 54.8-115.5 -84.1 178.0 46.9 16.3 27.2 74 75 A R - 0 0 129 -3,-0.1 2,-0.2 -2,-0.1 -58,-0.1 -0.958 17.1-129.1-128.6 124.5 47.8 12.8 28.2 75 76 A A - 0 0 34 -2,-0.5 2,-0.4 -10,-0.1 -62,-0.1 -0.484 24.8-176.3 -70.0 134.2 45.6 10.4 30.1 76 77 A L - 0 0 112 -2,-0.2 2,-0.3 -63,-0.1 -2,-0.0 -0.993 10.1-152.9-133.6 127.3 47.2 8.8 33.2 77 78 A F - 0 0 124 -2,-0.4 2,-0.3 -58,-0.1 -60,-0.1 -0.709 7.7-166.7-101.7 148.5 45.3 6.2 35.2 78 79 A Q - 0 0 137 -2,-0.3 -2,-0.0 -62,-0.2 0, 0.0 -0.781 39.7 -73.5-123.5 168.9 45.7 5.4 38.8 79 80 A D - 0 0 139 -2,-0.3 2,-0.6 1,-0.1 -1,-0.1 -0.280 46.5-126.4 -60.2 150.2 44.5 2.4 40.9 80 81 A L - 0 0 68 -57,-0.1 2,-0.1 -3,-0.0 -1,-0.1 -0.902 17.9-136.2-103.7 118.9 40.8 2.4 41.7 81 82 A Q - 0 0 117 -2,-0.6 3,-0.1 1,-0.1 -54,-0.1 -0.430 28.0-110.4 -69.3 139.6 39.9 2.1 45.3 82 83 A K - 0 0 131 1,-0.1 -1,-0.1 -2,-0.1 -54,-0.1 -0.171 49.4 -74.3 -62.9 159.7 37.2 -0.4 46.0 83 84 A P - 0 0 14 0, 0.0 -1,-0.1 0, 0.0 -58,-0.1 -0.238 41.9-113.6 -59.7 156.6 33.8 1.0 47.2 84 85 A S S S+ 0 0 91 -3,-0.1 2,-0.3 2,-0.1 -2,-0.1 0.684 96.2 36.5 -71.6 -18.9 33.5 2.2 50.7 85 86 A Q - 0 0 81 1,-0.1 3,-0.1 -57,-0.1 -54,-0.0 -0.952 53.3-158.4-133.1 150.2 31.0 -0.5 51.7 86 87 A D S S+ 0 0 133 -2,-0.3 2,-0.3 1,-0.2 -1,-0.1 0.686 93.7 33.1 -88.9 -28.7 30.5 -4.3 51.0 87 88 A E - 0 0 114 1,-0.0 -1,-0.2 -52,-0.0 -55,-0.1 -0.969 68.8-158.0-133.1 141.3 26.8 -4.2 52.0 88 89 A W - 0 0 4 -2,-0.3 2,-0.2 1,-0.3 9,-0.1 0.317 23.7-143.9-114.3 6.0 24.6 -1.1 51.5 89 90 A G - 0 0 31 4,-0.1 -1,-0.3 5,-0.1 2,-0.1 -0.444 53.6 -11.2 76.8-141.0 21.8 -1.5 54.1 90 91 A T S > S- 0 0 57 -2,-0.2 4,-2.1 1,-0.0 5,-0.2 -0.432 77.9 -93.0 -90.0 168.9 18.2 -0.4 53.3 91 92 A T H > S+ 0 0 1 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.891 126.0 50.4 -50.0 -49.0 17.1 1.7 50.3 92 93 A P H > S+ 0 0 12 0, 0.0 4,-2.5 0, 0.0 -1,-0.2 0.901 108.7 51.8 -60.6 -37.3 17.4 5.0 52.2 93 94 A D H > S+ 0 0 76 2,-0.2 4,-2.1 1,-0.2 -2,-0.2 0.887 112.9 45.9 -57.7 -48.1 20.9 4.1 53.4 94 95 A A H X S+ 0 0 0 -4,-2.1 4,-2.1 2,-0.2 -1,-0.2 0.898 112.2 49.4 -65.6 -42.5 21.9 3.5 49.7 95 96 A M H X S+ 0 0 0 -4,-2.8 4,-2.1 2,-0.2 -2,-0.2 0.903 110.3 51.2 -66.4 -40.8 20.2 6.6 48.4 96 97 A K H X S+ 0 0 96 -4,-2.5 4,-2.6 -5,-0.2 -2,-0.2 0.955 110.0 50.3 -58.0 -48.9 22.0 8.7 51.1 97 98 A A H X S+ 0 0 25 -4,-2.1 4,-2.6 1,-0.2 -2,-0.2 0.897 109.9 50.2 -52.8 -44.9 25.3 7.2 50.1 98 99 A A H X S+ 0 0 0 -4,-2.1 4,-2.7 2,-0.2 -1,-0.2 0.868 109.6 50.7 -66.1 -39.4 24.6 8.0 46.4 99 100 A I H X S+ 0 0 25 -4,-2.1 4,-2.7 2,-0.2 5,-0.2 0.934 110.0 49.6 -64.2 -44.3 23.8 11.6 47.2 100 101 A V H X S+ 0 0 102 -4,-2.6 4,-1.8 1,-0.2 -2,-0.2 0.945 112.9 48.4 -56.1 -49.6 27.0 11.9 49.2 101 102 A L H X S+ 0 0 31 -4,-2.6 4,-2.2 1,-0.2 -2,-0.2 0.929 112.8 46.8 -57.0 -47.6 28.9 10.4 46.2 102 103 A E H X S+ 0 0 0 -4,-2.7 4,-2.7 1,-0.2 -1,-0.2 0.861 109.0 54.0 -68.4 -36.4 27.3 12.8 43.7 103 104 A K H X S+ 0 0 127 -4,-2.7 4,-2.2 2,-0.2 -1,-0.2 0.858 108.3 50.7 -62.0 -34.2 27.9 15.8 45.8 104 105 A S H X S+ 0 0 54 -4,-1.8 4,-2.0 -5,-0.2 -2,-0.2 0.916 111.4 47.4 -71.6 -39.3 31.5 14.9 46.0 105 106 A L H X S+ 0 0 0 -4,-2.2 4,-2.4 2,-0.2 -2,-0.2 0.931 111.7 51.1 -62.4 -44.7 31.6 14.5 42.1 106 107 A N H X S+ 0 0 30 -4,-2.7 4,-2.4 1,-0.2 -2,-0.2 0.917 109.0 50.6 -59.8 -41.0 29.8 17.9 41.8 107 108 A Q H X S+ 0 0 98 -4,-2.2 4,-2.5 1,-0.2 -1,-0.2 0.904 109.0 51.6 -65.7 -38.7 32.3 19.6 44.1 108 109 A A H X S+ 0 0 22 -4,-2.0 4,-2.2 2,-0.2 -1,-0.2 0.895 110.3 49.3 -62.5 -42.4 35.2 18.1 42.0 109 110 A L H X S+ 0 0 0 -4,-2.4 4,-2.2 2,-0.2 -2,-0.2 0.893 111.8 48.4 -57.2 -44.3 33.5 19.6 38.8 110 111 A L H X S+ 0 0 75 -4,-2.4 4,-2.4 2,-0.2 -2,-0.2 0.917 111.4 49.9 -67.4 -38.9 33.1 23.0 40.5 111 112 A D H X S+ 0 0 96 -4,-2.5 4,-2.2 2,-0.2 -2,-0.2 0.911 111.0 48.9 -65.0 -42.2 36.7 22.9 41.6 112 113 A L H X S+ 0 0 7 -4,-2.2 4,-2.5 2,-0.2 -2,-0.2 0.883 110.6 51.2 -65.6 -38.5 37.9 22.0 38.1 113 114 A H H X S+ 0 0 44 -4,-2.2 4,-2.2 2,-0.2 -2,-0.2 0.911 109.7 49.5 -66.9 -43.6 35.7 24.9 36.7 114 115 A A H X S+ 0 0 59 -4,-2.4 4,-2.4 2,-0.2 -2,-0.2 0.881 111.5 49.9 -59.3 -42.6 37.3 27.4 39.1 115 116 A L H X S+ 0 0 47 -4,-2.2 4,-1.8 2,-0.2 -2,-0.2 0.934 111.7 47.4 -63.4 -46.7 40.8 26.2 38.1 116 117 A G H <>S+ 0 0 0 -4,-2.5 5,-2.9 2,-0.2 -2,-0.2 0.861 111.5 50.9 -64.1 -36.8 40.0 26.5 34.4 117 118 A S H ><5S+ 0 0 77 -4,-2.2 3,-1.1 3,-0.2 -1,-0.2 0.929 110.3 49.7 -65.3 -41.4 38.5 30.0 35.0 118 119 A A H 3<5S+ 0 0 82 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.782 114.1 45.3 -62.5 -33.4 41.8 30.9 36.9 119 120 A Q T 3<5S- 0 0 67 -4,-1.8 -1,-0.2 -5,-0.1 -2,-0.2 0.324 114.7-119.7 -90.9 4.4 43.9 29.6 34.0 120 121 A A T < 5 + 0 0 67 -3,-1.1 -3,-0.2 1,-0.2 -2,-0.1 0.957 59.1 153.0 50.4 59.5 41.6 31.4 31.5 121 122 A D >< + 0 0 2 -5,-2.9 4,-2.0 1,-0.1 -1,-0.2 -0.807 14.7 172.1-119.7 80.6 40.5 28.1 29.7 122 123 A P H > S+ 0 0 91 0, 0.0 4,-2.6 0, 0.0 5,-0.2 0.801 74.8 59.2 -67.4 -28.1 37.1 28.9 28.3 123 124 A H H > S+ 0 0 82 2,-0.2 4,-2.9 1,-0.2 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-2,-0.2 0.929 111.2 48.7 -51.5 -50.7 13.2 13.6 45.5 146 147 A H H X S+ 0 0 20 -4,-2.2 4,-3.0 2,-0.2 -2,-0.2 0.917 109.8 51.4 -56.5 -45.8 13.7 9.8 45.9 147 148 A L H X S+ 0 0 25 -4,-2.6 4,-3.2 1,-0.2 5,-0.3 0.930 109.0 50.8 -60.0 -47.3 15.1 10.1 49.5 148 149 A T H X S+ 0 0 69 -4,-2.4 4,-2.1 1,-0.2 -1,-0.2 0.899 114.1 44.8 -55.5 -43.4 12.1 12.3 50.5 149 150 A N H X S+ 0 0 56 -4,-2.1 4,-1.8 2,-0.2 -2,-0.2 0.927 114.7 46.8 -70.3 -44.2 9.7 9.7 49.2 150 151 A I H X S+ 0 0 0 -4,-3.0 4,-2.6 2,-0.2 5,-0.3 0.949 113.3 49.5 -59.8 -49.6 11.6 6.7 50.7 151 152 A Q H X S+ 0 0 88 -4,-3.2 4,-1.2 1,-0.2 -2,-0.2 0.917 109.7 50.8 -56.9 -47.2 11.8 8.5 54.0 152 153 A R H X S+ 0 0 150 -4,-2.1 4,-0.9 -5,-0.3 -1,-0.2 0.869 115.5 44.5 -58.0 -36.0 8.1 9.3 54.0 153 154 A L H X S+ 0 0 44 -4,-1.8 4,-1.4 -3,-0.2 8,-0.3 0.813 112.5 47.3 -77.6 -36.6 7.4 5.6 53.2 154 155 A V H < S+ 0 0 35 -4,-2.6 4,-0.3 2,-0.2 -1,-0.2 0.588 102.0 65.2 -88.1 -8.3 9.7 3.9 55.7 155 156 A G H < S+ 0 0 64 -4,-1.2 3,-0.2 -5,-0.3 -2,-0.2 0.965 106.5 45.8 -66.6 -52.5 8.5 6.2 58.5 156 157 A S H < S- 0 0 103 -4,-0.9 2,-0.2 1,-0.2 -2,-0.2 0.922 142.0 -25.6 -53.0 -61.6 5.1 4.5 58.1 157 158 A Q X - 0 0 131 -4,-1.4 4,-2.4 1,-0.1 -1,-0.2 -0.802 64.1-144.6-164.8 109.6 6.1 0.7 58.0 158 159 A A H > S+ 0 0 59 -4,-0.3 4,-2.2 -2,-0.2 5,-0.2 0.856 90.4 41.5 -63.3 -49.3 9.6 0.0 56.7 159 160 A G H > S+ 0 0 57 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.952 118.7 45.7 -64.7 -49.1 9.3 -3.3 54.7 160 161 A L H > S+ 0 0 92 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.909 112.6 51.4 -60.3 -42.5 6.1 -2.3 53.0 161 162 A G H X S+ 0 0 2 -4,-2.4 4,-2.2 -8,-0.3 -1,-0.2 0.903 108.1 51.5 -62.9 -42.1 7.3 1.2 52.2 162 163 A E H X S+ 0 0 30 -4,-2.2 4,-1.9 -5,-0.2 -1,-0.2 0.906 111.9 47.4 -60.0 -41.6 10.5 -0.1 50.6 163 164 A Y H X S+ 0 0 129 -4,-1.9 4,-2.4 2,-0.2 -2,-0.2 0.937 112.0 49.1 -64.7 -49.7 8.5 -2.5 48.4 164 165 A L H X S+ 0 0 61 -4,-2.5 4,-2.6 1,-0.2 5,-0.4 0.881 110.0 51.4 -62.0 -36.9 6.0 0.1 47.3 165 166 A F H X>S+ 0 0 2 -4,-2.2 4,-2.1 -5,-0.2 5,-1.7 0.950 111.6 46.1 -67.7 -42.2 8.8 2.6 46.4 166 167 A E H <5S+ 0 0 8 -4,-1.9 -2,-0.2 1,-0.2 -1,-0.2 0.905 119.4 42.2 -65.2 -38.2 10.6 0.0 44.3 167 168 A R H <5S+ 0 0 123 -4,-2.4 -2,-0.2 -5,-0.1 -1,-0.2 0.849 124.7 30.3 -74.3 -40.2 7.3 -1.0 42.6 168 169 A L H <5S+ 0 0 142 -4,-2.6 -3,-0.2 -5,-0.2 -2,-0.2 0.651 131.1 26.8-105.6 -20.2 5.7 2.3 42.0 169 170 A T T <5S+ 0 0 66 -4,-2.1 2,-0.2 -5,-0.4 -3,-0.2 0.757 106.6 70.6-104.1 -44.6 8.5 4.8 41.6 170 171 A L < 0 0 16 -5,-1.7 -125,-0.1 1,-0.1 -124,-0.1 -0.503 360.0 360.0 -86.7 143.5 11.5 2.7 40.2 171 172 A K 0 0 180 -126,-0.2 -123,-0.1 -2,-0.2 -122,-0.1 -0.486 360.0 360.0 -68.8 360.0 11.6 1.3 36.6