==== 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 2V2O . 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) . 9703.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 131 76.6 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 . 3 1.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 4 2.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 118 69.0 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 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 1 A S 0 0 175 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 132.9 55.8 18.8 22.7 2 2 A S - 0 0 40 71,-0.2 72,-0.0 1,-0.1 0, 0.0 -0.177 360.0-144.6 -63.7 136.0 52.2 18.3 21.3 3 3 A Q S S+ 0 0 197 1,-0.2 -1,-0.1 3,-0.0 70,-0.0 0.645 99.3 31.7 -71.3 -15.7 51.4 19.5 17.8 4 4 A I S S+ 0 0 92 69,-0.1 -1,-0.2 2,-0.0 2,-0.1 0.608 84.3 118.5-116.0 -18.3 47.8 20.5 18.8 5 5 A R + 0 0 76 68,-0.2 2,-0.3 2,-0.0 68,-0.1 -0.316 31.8 159.4 -65.8 127.9 48.0 21.7 22.4 6 6 A Q - 0 0 159 66,-0.5 3,-0.1 -2,-0.1 -3,-0.0 -0.943 63.9 -5.6-151.8 130.1 47.1 25.3 23.0 7 7 A N S S+ 0 0 95 -2,-0.3 2,-0.6 1,-0.2 -2,-0.0 0.770 91.7 132.0 57.8 28.7 45.9 27.2 26.1 8 8 A Y - 0 0 13 64,-0.1 -1,-0.2 114,-0.0 114,-0.0 -0.885 46.7-147.5-117.1 102.2 45.9 23.9 28.1 9 9 A S > - 0 0 17 -2,-0.6 4,-2.2 1,-0.1 5,-0.1 -0.180 19.9-127.9 -69.5 153.4 47.6 24.0 31.4 10 10 A T H > S+ 0 0 93 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.861 112.4 57.7 -66.2 -32.0 49.5 21.2 33.1 11 11 A E H > S+ 0 0 97 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.906 108.3 43.7 -65.0 -42.1 47.3 21.9 36.2 12 12 A V H > S+ 0 0 0 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.905 111.8 54.4 -69.7 -41.2 44.1 21.4 34.3 13 13 A E H X S+ 0 0 32 -4,-2.2 4,-1.8 1,-0.2 -2,-0.2 0.920 111.8 44.1 -58.2 -48.7 45.5 18.3 32.6 14 14 A A H X S+ 0 0 39 -4,-2.3 4,-2.0 2,-0.2 -1,-0.2 0.895 112.9 51.8 -58.2 -48.2 46.4 16.8 36.0 15 15 A A H X S+ 0 0 14 -4,-2.3 4,-2.2 2,-0.2 -2,-0.2 0.872 107.6 52.2 -56.5 -42.3 42.9 17.8 37.4 16 16 A V H X S+ 0 0 0 -4,-2.6 4,-2.3 2,-0.2 -1,-0.2 0.907 108.1 52.1 -62.2 -45.0 41.1 16.1 34.5 17 17 A N H X S+ 0 0 20 -4,-1.8 4,-1.8 2,-0.2 -2,-0.2 0.889 110.1 48.5 -56.9 -44.2 43.1 12.9 35.2 18 18 A R H X S+ 0 0 160 -4,-2.0 4,-2.3 2,-0.2 -2,-0.2 0.915 110.1 52.0 -61.9 -40.9 42.0 13.0 38.8 19 19 A L H X S+ 0 0 6 -4,-2.2 4,-2.6 2,-0.2 5,-0.2 0.890 105.2 54.9 -66.1 -37.1 38.4 13.5 37.8 20 20 A V H X S+ 0 0 2 -4,-2.3 4,-3.2 2,-0.2 5,-0.3 0.961 108.7 49.2 -56.8 -48.5 38.5 10.5 35.5 21 21 A N H X S+ 0 0 40 -4,-1.8 4,-2.6 1,-0.2 -2,-0.2 0.923 110.2 51.0 -55.7 -42.2 39.6 8.5 38.5 22 22 A L H X S+ 0 0 65 -4,-2.3 4,-1.8 2,-0.2 -1,-0.2 0.897 111.8 46.7 -67.4 -38.8 36.8 9.9 40.5 23 23 A Y H X S+ 0 0 5 -4,-2.6 4,-2.5 2,-0.2 -2,-0.2 0.929 112.2 50.0 -67.6 -47.9 34.2 9.0 37.8 24 24 A L H X S+ 0 0 27 -4,-3.2 4,-2.3 -5,-0.2 -2,-0.2 0.908 110.9 49.7 -53.0 -47.6 35.6 5.5 37.4 25 25 A R H X S+ 0 0 81 -4,-2.6 4,-2.3 -5,-0.3 -1,-0.2 0.890 109.6 51.3 -64.3 -34.5 35.5 5.0 41.2 26 26 A A H X S+ 0 0 0 -4,-1.8 4,-2.4 -5,-0.2 -2,-0.2 0.902 108.1 52.4 -66.4 -42.2 31.8 6.2 41.3 27 27 A S H X S+ 0 0 13 -4,-2.5 4,-2.4 2,-0.2 -2,-0.2 0.935 109.4 49.7 -54.0 -49.4 31.0 3.8 38.5 28 28 A Y H X S+ 0 0 97 -4,-2.3 4,-2.1 2,-0.2 -2,-0.2 0.897 108.9 52.2 -55.3 -47.0 32.6 1.0 40.6 29 29 A T H X S+ 0 0 10 -4,-2.3 4,-2.3 2,-0.2 -1,-0.2 0.913 110.4 48.5 -55.6 -45.0 30.5 2.1 43.7 30 30 A Y H X S+ 0 0 0 -4,-2.4 4,-2.9 1,-0.2 -2,-0.2 0.851 106.8 55.0 -71.0 -35.2 27.3 1.9 41.6 31 31 A L H X S+ 0 0 78 -4,-2.4 4,-2.5 2,-0.2 -1,-0.2 0.937 112.0 45.6 -56.3 -46.5 28.2 -1.5 40.2 32 32 A S H X S+ 0 0 34 -4,-2.1 4,-1.8 2,-0.2 -2,-0.2 0.924 112.4 49.3 -63.4 -44.4 28.5 -2.7 43.9 33 33 A L H X S+ 0 0 0 -4,-2.3 4,-1.7 1,-0.2 -2,-0.2 0.930 111.9 50.5 -62.4 -46.2 25.2 -0.9 44.9 34 34 A G H X S+ 0 0 0 -4,-2.9 4,-0.8 1,-0.2 -2,-0.2 0.927 110.8 45.6 -55.1 -56.7 23.4 -2.5 42.0 35 35 A F H < S+ 0 0 89 -4,-2.5 4,-0.2 1,-0.2 -1,-0.2 0.793 107.3 59.5 -64.5 -22.2 24.5 -6.1 42.6 36 36 A Y H >< S+ 0 0 29 -4,-1.8 3,-1.6 1,-0.2 7,-0.3 0.933 105.1 48.6 -67.0 -44.7 23.8 -5.8 46.4 37 37 A F H 3< S+ 0 0 0 -4,-1.7 7,-2.3 1,-0.3 11,-0.2 0.674 105.2 61.8 -71.3 -13.5 20.1 -5.0 45.5 38 38 A D T 3< S+ 0 0 101 -4,-0.8 -1,-0.3 5,-0.2 -2,-0.2 0.460 78.0 116.3 -80.9 -10.2 20.2 -8.1 43.2 39 39 A R S X> S- 0 0 85 -3,-1.6 4,-2.5 -4,-0.2 3,-2.0 -0.366 76.1-124.6 -63.1 141.4 21.0 -10.4 46.2 40 40 A D T 34 S+ 0 0 157 1,-0.3 -1,-0.1 2,-0.2 -3,-0.0 0.776 113.1 51.0 -58.1 -25.3 18.2 -13.0 46.8 41 41 A D T 34 S+ 0 0 99 1,-0.0 -1,-0.3 0, 0.0 -2,-0.1 0.283 119.9 33.7 -98.3 11.0 18.0 -11.7 50.4 42 42 A V T <4 S+ 0 0 31 -3,-2.0 -2,-0.2 -6,-0.1 -5,-0.1 0.554 79.4 170.7-122.2 -59.9 17.6 -8.0 49.3 43 43 A A < + 0 0 63 -4,-2.5 2,-0.4 -7,-0.3 -5,-0.2 0.902 15.8 143.4 56.5 57.3 15.7 -8.5 46.1 44 44 A L >> - 0 0 17 -7,-2.3 4,-2.1 1,-0.1 3,-0.6 -0.824 22.5-178.0-126.8 91.6 14.7 -5.0 45.0 45 45 A E H 3> S+ 0 0 140 -2,-0.4 4,-2.7 1,-0.3 5,-0.2 0.874 78.5 54.3 -66.1 -41.1 15.0 -5.1 41.2 46 46 A G H 3> S+ 0 0 12 2,-0.2 4,-1.9 1,-0.2 -1,-0.3 0.830 110.3 48.7 -57.4 -36.8 14.0 -1.4 40.6 47 47 A V H <> S+ 0 0 0 -3,-0.6 4,-2.1 2,-0.2 5,-0.2 0.900 110.3 50.6 -72.1 -44.1 16.8 -0.3 42.9 48 48 A C H X S+ 0 0 12 -4,-2.1 4,-2.7 -11,-0.2 5,-0.2 0.929 111.8 48.2 -53.0 -49.6 19.3 -2.6 41.3 49 49 A H H X S+ 0 0 111 -4,-2.7 4,-2.3 1,-0.2 5,-0.2 0.910 107.6 56.0 -64.1 -41.9 18.4 -1.2 37.9 50 50 A F H X S+ 0 0 32 -4,-1.9 4,-1.8 1,-0.2 -1,-0.2 0.927 114.1 38.3 -50.3 -52.0 18.6 2.4 39.2 51 51 A F H X S+ 0 0 0 -4,-2.1 4,-2.1 2,-0.2 -2,-0.2 0.868 112.8 54.8 -78.2 -36.8 22.2 2.0 40.3 52 52 A R H X S+ 0 0 106 -4,-2.7 4,-1.4 -5,-0.2 -1,-0.2 0.897 108.4 50.6 -62.7 -38.2 23.4 -0.2 37.4 53 53 A E H X S+ 0 0 73 -4,-2.3 4,-2.1 -5,-0.2 3,-0.2 0.932 109.1 51.9 -63.8 -41.5 22.2 2.5 35.0 54 54 A L H X S+ 0 0 12 -4,-1.8 4,-2.4 1,-0.2 -2,-0.2 0.853 103.2 57.9 -62.7 -35.6 24.1 5.0 37.1 55 55 A A H X S+ 0 0 10 -4,-2.1 4,-1.8 2,-0.2 -1,-0.2 0.905 108.1 47.2 -56.7 -43.7 27.3 2.9 36.8 56 56 A E H X S+ 0 0 90 -4,-1.4 4,-2.3 -3,-0.2 -2,-0.2 0.910 110.8 51.5 -64.9 -43.4 26.9 3.2 33.0 57 57 A E H X S+ 0 0 62 -4,-2.1 4,-2.0 1,-0.2 -2,-0.2 0.880 110.3 47.8 -63.2 -41.9 26.4 7.0 33.2 58 58 A K H X S+ 0 0 6 -4,-2.4 4,-2.1 2,-0.2 -1,-0.2 0.875 110.7 51.7 -65.4 -37.3 29.6 7.5 35.3 59 59 A M H X S+ 0 0 67 -4,-1.8 4,-2.1 -5,-0.2 -2,-0.2 0.922 108.8 51.8 -66.7 -40.0 31.5 5.3 33.0 60 60 A E H X S+ 0 0 79 -4,-2.3 4,-2.3 2,-0.2 -2,-0.2 0.885 106.9 52.9 -57.6 -43.9 30.2 7.5 30.2 61 61 A G H X S+ 0 0 6 -4,-2.0 4,-2.4 2,-0.2 -2,-0.2 0.919 109.1 49.6 -55.3 -45.9 31.4 10.7 32.1 62 62 A A H X S+ 0 0 0 -4,-2.1 4,-2.2 1,-0.2 -2,-0.2 0.904 111.3 48.9 -62.0 -44.9 34.9 9.2 32.4 63 63 A E H X S+ 0 0 107 -4,-2.1 4,-2.4 2,-0.2 -1,-0.2 0.910 109.9 50.9 -63.8 -41.7 35.0 8.4 28.7 64 64 A R H X S+ 0 0 96 -4,-2.3 4,-2.1 2,-0.2 -2,-0.2 0.912 110.8 49.4 -61.5 -42.0 33.9 11.9 27.8 65 65 A L H X S+ 0 0 0 -4,-2.4 4,-2.2 1,-0.2 -2,-0.2 0.894 111.5 49.6 -63.4 -38.4 36.6 13.4 30.0 66 66 A L H X S+ 0 0 34 -4,-2.2 4,-1.8 1,-0.2 -2,-0.2 0.873 108.4 52.0 -69.7 -39.5 39.2 11.1 28.4 67 67 A K H X S+ 0 0 138 -4,-2.4 4,-2.1 2,-0.2 -1,-0.2 0.916 111.5 47.2 -60.2 -43.1 38.1 12.1 24.9 68 68 A M H X S+ 0 0 0 -4,-2.1 4,-2.2 2,-0.2 6,-0.2 0.890 105.8 58.3 -68.0 -42.8 38.4 15.8 25.8 69 69 A Q H X>S+ 0 0 0 -4,-2.2 5,-2.6 1,-0.2 4,-0.7 0.929 112.2 41.6 -48.6 -51.1 41.9 15.3 27.4 70 70 A N H <5S+ 0 0 93 -4,-1.8 3,-0.4 3,-0.2 -2,-0.2 0.852 109.9 57.4 -66.3 -40.7 43.1 13.9 24.0 71 71 A Q H <5S+ 0 0 109 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.863 111.2 44.0 -54.1 -39.8 41.2 16.6 22.0 72 72 A R H <5S- 0 0 27 -4,-2.2 -66,-0.5 -5,-0.1 -1,-0.2 0.577 120.5-107.2 -83.5 -15.1 43.2 19.2 23.9 73 73 A G T <5S+ 0 0 2 -4,-0.7 -3,-0.2 -3,-0.4 -71,-0.2 0.562 73.6 136.4 96.1 13.0 46.6 17.4 23.6 74 74 A G < - 0 0 0 -5,-2.6 2,-0.5 -6,-0.2 -1,-0.3 -0.301 54.2-117.7 -80.0 169.5 46.8 16.3 27.2 75 75 A R - 0 0 139 -2,-0.1 2,-0.2 2,-0.0 -58,-0.1 -0.972 19.7-129.9-121.2 118.5 47.9 12.7 28.2 76 76 A A - 0 0 31 -2,-0.5 2,-0.4 -10,-0.1 -62,-0.1 -0.470 26.8-175.1 -57.3 129.4 45.5 10.4 30.0 77 77 A L - 0 0 116 -2,-0.2 2,-0.3 -63,-0.1 -2,-0.0 -0.999 8.6-153.2-135.3 129.3 47.1 8.8 33.1 78 78 A F - 0 0 127 -2,-0.4 2,-0.3 -58,-0.1 -60,-0.1 -0.770 8.4-169.0-108.2 145.5 45.3 6.2 35.1 79 79 A Q - 0 0 143 -2,-0.3 -2,-0.0 -62,-0.2 0, 0.0 -0.768 40.6 -69.4-123.0 168.6 45.7 5.3 38.8 80 80 A D - 0 0 137 -2,-0.3 2,-0.7 1,-0.1 -1,-0.1 -0.228 45.8-128.1 -55.9 146.6 44.5 2.5 41.0 81 81 A L - 0 0 68 -57,-0.1 2,-0.2 -3,-0.1 -1,-0.1 -0.913 18.4-138.1-103.7 114.4 40.8 2.4 41.6 82 82 A Q - 0 0 124 -2,-0.7 3,-0.1 1,-0.1 -54,-0.1 -0.481 28.0-108.2 -67.0 141.0 39.9 2.1 45.3 83 83 A K - 0 0 131 -2,-0.2 -1,-0.1 1,-0.1 -54,-0.1 -0.163 48.5 -76.3 -65.1 159.3 37.1 -0.3 46.0 84 84 A P - 0 0 12 0, 0.0 -1,-0.1 0, 0.0 -58,-0.1 -0.194 43.4-111.7 -59.2 158.1 33.8 1.0 47.1 85 85 A S S S+ 0 0 89 -3,-0.1 2,-0.3 2,-0.0 -2,-0.1 0.654 96.1 33.0 -71.9 -21.3 33.4 2.2 50.7 86 86 A Q - 0 0 82 1,-0.1 3,-0.1 -57,-0.1 -54,-0.0 -0.950 54.1-155.8-133.9 155.4 31.1 -0.6 51.8 87 87 A D S S+ 0 0 122 -2,-0.3 2,-0.3 1,-0.3 -1,-0.1 0.657 93.5 34.9 -96.6 -29.4 30.6 -4.2 50.9 88 88 A E - 0 0 113 1,-0.0 -1,-0.3 -52,-0.0 -55,-0.1 -0.975 68.5-157.4-128.5 143.6 26.9 -4.2 52.0 89 89 A W - 0 0 3 -2,-0.3 9,-0.1 1,-0.3 2,-0.1 0.264 22.1-144.6-116.1 11.1 24.6 -1.1 51.6 90 90 A G - 0 0 33 4,-0.1 -1,-0.3 5,-0.1 2,-0.1 -0.405 55.0 -11.2 72.4-130.8 21.8 -1.5 54.2 91 91 A T S > S- 0 0 57 -2,-0.1 4,-2.3 1,-0.0 5,-0.2 -0.458 75.9 -92.6-102.5 168.6 18.3 -0.3 53.2 92 92 A T H > S+ 0 0 2 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.892 126.3 49.4 -48.6 -49.7 17.0 1.7 50.3 93 93 A P H > S+ 0 0 12 0, 0.0 4,-2.4 0, 0.0 -1,-0.2 0.896 109.7 51.6 -58.6 -38.2 17.3 5.0 52.3 94 94 A D H > S+ 0 0 74 -3,-0.2 4,-2.2 2,-0.2 -2,-0.2 0.914 112.8 45.4 -61.0 -46.6 20.9 4.1 53.3 95 95 A A H X S+ 0 0 0 -4,-2.3 4,-2.2 2,-0.2 -1,-0.2 0.908 112.6 49.7 -67.1 -39.7 21.9 3.5 49.7 96 96 A M H X S+ 0 0 0 -4,-2.5 4,-2.1 -5,-0.2 -2,-0.2 0.876 110.9 50.1 -68.2 -38.9 20.2 6.7 48.3 97 97 A K H X S+ 0 0 93 -4,-2.4 4,-2.3 -5,-0.2 -1,-0.2 0.937 110.2 50.1 -60.8 -47.1 21.9 8.7 51.0 98 98 A A H X S+ 0 0 25 -4,-2.2 4,-2.3 1,-0.2 -2,-0.2 0.894 109.6 52.4 -54.2 -45.3 25.3 7.2 50.0 99 99 A A H X S+ 0 0 0 -4,-2.2 4,-2.5 2,-0.2 -1,-0.2 0.888 109.1 48.5 -59.1 -46.5 24.5 8.0 46.3 100 100 A I H X S+ 0 0 24 -4,-2.1 4,-2.6 2,-0.2 -1,-0.2 0.892 110.4 51.7 -62.4 -43.3 23.8 11.7 47.2 101 101 A V H X S+ 0 0 105 -4,-2.3 4,-1.9 2,-0.2 -2,-0.2 0.951 112.5 46.4 -54.9 -48.6 27.1 11.9 49.2 102 102 A L H X S+ 0 0 30 -4,-2.3 4,-2.3 1,-0.2 -2,-0.2 0.903 114.0 47.2 -60.2 -49.6 29.0 10.4 46.2 103 103 A E H X S+ 0 0 0 -4,-2.5 4,-2.6 2,-0.2 -1,-0.2 0.869 109.5 53.2 -63.3 -40.2 27.3 12.8 43.7 104 104 A K H X S+ 0 0 125 -4,-2.6 4,-1.9 2,-0.2 -1,-0.2 0.856 108.8 50.4 -62.6 -36.8 27.9 15.8 45.9 105 105 A S H X S+ 0 0 55 -4,-1.9 4,-1.8 2,-0.2 -2,-0.2 0.913 111.7 48.0 -67.3 -41.9 31.6 14.9 46.0 106 106 A L H X S+ 0 0 0 -4,-2.3 4,-2.2 2,-0.2 -2,-0.2 0.901 110.5 51.6 -59.1 -45.2 31.6 14.6 42.1 107 107 A N H X S+ 0 0 31 -4,-2.6 4,-2.6 1,-0.2 -2,-0.2 0.890 108.4 51.6 -62.7 -38.1 29.8 17.9 41.8 108 108 A Q H X S+ 0 0 96 -4,-1.9 4,-2.6 2,-0.2 -1,-0.2 0.881 108.5 50.3 -67.5 -39.0 32.4 19.6 44.0 109 109 A A H X S+ 0 0 24 -4,-1.8 4,-2.5 2,-0.2 -2,-0.2 0.901 112.0 49.0 -61.9 -44.1 35.3 18.2 42.0 110 110 A L H X S+ 0 0 0 -4,-2.2 4,-2.4 2,-0.2 -2,-0.2 0.917 112.2 47.8 -57.5 -46.3 33.6 19.6 38.8 111 111 A L H X S+ 0 0 78 -4,-2.6 4,-2.2 2,-0.2 -2,-0.2 0.915 112.1 49.8 -61.9 -44.1 33.1 22.9 40.5 112 112 A D H X S+ 0 0 93 -4,-2.6 4,-2.1 2,-0.2 -2,-0.2 0.917 111.8 48.2 -60.8 -46.5 36.8 23.0 41.6 113 113 A L H X S+ 0 0 7 -4,-2.5 4,-2.6 2,-0.2 -2,-0.2 0.899 109.8 51.8 -61.5 -38.6 37.9 22.1 38.1 114 114 A H H X S+ 0 0 41 -4,-2.4 4,-1.9 2,-0.2 -2,-0.2 0.908 109.9 49.7 -65.9 -42.4 35.7 24.8 36.7 115 115 A A H X S+ 0 0 61 -4,-2.2 4,-2.2 1,-0.2 -2,-0.2 0.867 110.8 51.0 -62.3 -36.4 37.3 27.4 39.2 116 116 A L H X S+ 0 0 47 -4,-2.1 4,-1.9 2,-0.2 -2,-0.2 0.928 110.3 47.5 -66.3 -45.4 40.7 26.2 38.1 117 117 A G H <>S+ 0 0 0 -4,-2.6 5,-3.1 2,-0.2 -2,-0.2 0.872 111.7 51.2 -64.4 -35.0 40.0 26.6 34.3 118 118 A S H ><5S+ 0 0 77 -4,-1.9 3,-1.1 3,-0.2 -2,-0.2 0.924 110.6 47.5 -68.1 -44.4 38.6 30.1 35.0 119 119 A A H 3<5S+ 0 0 84 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.789 115.3 46.8 -62.5 -32.4 41.7 31.0 37.0 120 120 A Q T 3<5S- 0 0 70 -4,-1.9 -1,-0.2 -5,-0.1 -2,-0.2 0.390 113.8-121.0 -87.0 0.7 43.8 29.6 34.0 121 121 A A T < 5 + 0 0 67 -3,-1.1 -3,-0.2 1,-0.2 -2,-0.1 0.942 59.1 152.3 53.1 56.4 41.6 31.5 31.4 122 122 A D >< + 0 0 1 -5,-3.1 4,-1.9 1,-0.2 -1,-0.2 -0.814 16.0 172.1-114.7 83.2 40.6 28.2 29.8 123 123 A P H > S+ 0 0 92 0, 0.0 4,-2.9 0, 0.0 5,-0.2 0.833 75.0 59.8 -66.7 -30.2 37.1 28.9 28.3 124 124 A H H > S+ 0 0 80 2,-0.2 4,-2.9 1,-0.2 5,-0.2 0.943 107.7 46.4 -61.2 -44.5 36.9 25.6 26.3 125 125 A L H > S+ 0 0 0 2,-0.2 4,-2.4 1,-0.2 5,-0.3 0.955 112.2 50.4 -60.1 -51.5 37.2 23.7 29.6 126 126 A C H X S+ 0 0 15 -4,-1.9 4,-1.6 1,-0.2 -2,-0.2 0.934 114.0 44.1 -56.5 -45.3 34.6 25.9 31.3 127 127 A D H X S+ 0 0 91 -4,-2.9 4,-2.6 1,-0.2 -1,-0.2 0.906 111.4 55.0 -65.4 -42.3 32.2 25.4 28.4 128 128 A F H X S+ 0 0 14 -4,-2.9 4,-1.7 -5,-0.2 -2,-0.2 0.896 111.4 43.6 -55.4 -44.8 32.9 21.6 28.3 129 129 A L H X>S+ 0 0 0 -4,-2.4 5,-2.9 2,-0.2 4,-1.3 0.813 114.5 48.9 -71.8 -35.2 32.0 21.2 32.0 130 130 A E H <>S+ 0 0 93 -4,-1.6 5,-0.9 -5,-0.3 -2,-0.2 0.936 113.3 46.9 -71.7 -43.6 28.9 23.3 31.9 131 131 A S H <5S+ 0 0 66 -4,-2.6 -2,-0.2 -5,-0.2 -1,-0.1 0.859 128.3 17.7 -66.5 -41.9 27.5 21.6 28.8 132 132 A H H <5S+ 0 0 75 -4,-1.7 -1,-0.2 -5,-0.2 -2,-0.2 0.533 132.6 21.6-112.9 -11.8 28.0 17.9 29.7 133 133 A F T X5S+ 0 0 5 -4,-1.3 4,-2.5 -5,-0.2 -3,-0.2 0.712 106.5 57.7-128.9 -54.7 28.5 17.7 33.5 134 134 A L H > S+ 0 0 102 2,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.915 110.5 48.1 -54.8 -46.2 23.5 16.6 34.6 137 137 A E H X S+ 0 0 1 -4,-2.5 4,-2.8 2,-0.2 5,-0.3 0.935 110.3 49.5 -60.4 -51.6 24.8 16.7 38.2 138 138 A V H X S+ 0 0 83 -4,-2.1 4,-2.2 1,-0.2 -2,-0.2 0.942 114.4 45.9 -53.8 -46.5 22.2 19.2 39.3 139 139 A K H X S+ 0 0 138 -4,-2.6 4,-1.8 2,-0.2 -1,-0.2 0.858 114.1 47.6 -65.6 -40.8 19.4 17.3 37.7 140 140 A L H X S+ 0 0 32 -4,-2.3 4,-2.4 -5,-0.2 -1,-0.2 0.913 111.1 49.7 -66.9 -45.4 20.5 13.9 39.1 141 141 A I H X S+ 0 0 32 -4,-2.8 4,-2.4 2,-0.2 -2,-0.2 0.892 110.1 51.3 -60.0 -43.3 21.0 15.2 42.6 142 142 A K H X S+ 0 0 127 -4,-2.2 4,-2.7 -5,-0.3 -1,-0.2 0.923 110.3 50.3 -56.2 -46.6 17.5 16.8 42.5 143 143 A K H X S+ 0 0 108 -4,-1.8 4,-2.4 2,-0.2 -2,-0.2 0.907 111.4 48.2 -57.7 -45.2 16.1 13.4 41.4 144 144 A M H X S+ 0 0 0 -4,-2.4 4,-2.9 2,-0.2 -2,-0.2 0.893 110.3 50.6 -63.9 -41.6 17.9 11.6 44.3 145 145 A G H X S+ 0 0 28 -4,-2.4 4,-2.2 2,-0.2 -2,-0.2 0.904 109.8 50.8 -61.9 -44.5 16.7 14.1 46.8 146 146 A D H X S+ 0 0 63 -4,-2.7 4,-2.0 2,-0.2 -2,-0.2 0.932 111.9 48.1 -55.5 -50.9 13.1 13.6 45.5 147 147 A H H X S+ 0 0 13 -4,-2.4 4,-3.0 2,-0.2 5,-0.2 0.930 110.3 50.9 -54.4 -49.5 13.7 9.8 45.9 148 148 A L H X S+ 0 0 23 -4,-2.9 4,-3.2 1,-0.2 5,-0.3 0.929 109.4 50.5 -57.6 -45.6 15.1 10.1 49.5 149 149 A T H X S+ 0 0 74 -4,-2.2 4,-2.1 1,-0.2 -1,-0.2 0.908 114.0 45.3 -60.3 -43.7 12.1 12.3 50.6 150 150 A N H X S+ 0 0 59 -4,-2.0 4,-1.6 -5,-0.2 -2,-0.2 0.935 114.8 46.7 -67.0 -43.6 9.7 9.7 49.2 151 151 A I H X S+ 0 0 1 -4,-3.0 4,-2.4 2,-0.2 5,-0.3 0.939 112.6 50.2 -63.2 -45.8 11.5 6.7 50.7 152 152 A Q H X S+ 0 0 84 -4,-3.2 4,-1.3 1,-0.2 -1,-0.2 0.910 110.1 50.1 -61.8 -43.0 11.8 8.4 54.1 153 153 A R H X S+ 0 0 149 -4,-2.1 4,-1.0 -5,-0.3 -1,-0.2 0.844 115.0 45.3 -59.7 -36.5 8.1 9.2 54.1 154 154 A L H X S+ 0 0 47 -4,-1.6 4,-1.6 -3,-0.2 8,-0.3 0.851 114.0 45.0 -77.1 -42.6 7.3 5.6 53.2 155 155 A V H < S+ 0 0 37 -4,-2.4 4,-0.2 2,-0.2 -2,-0.2 0.570 102.4 66.1 -86.1 -10.9 9.6 3.9 55.7 156 156 A G H < S+ 0 0 64 -4,-1.3 3,-0.2 -5,-0.3 -1,-0.2 0.956 107.9 43.4 -64.1 -52.4 8.6 6.2 58.5 157 157 A S H < S- 0 0 103 -4,-1.0 2,-0.3 1,-0.2 -2,-0.2 0.971 142.4 -20.3 -52.0 -70.7 5.1 4.5 58.2 158 158 A Q X - 0 0 133 -4,-1.6 4,-2.8 1,-0.1 5,-0.2 -0.936 65.1-147.7-152.3 114.0 6.0 0.8 57.8 159 159 A A H > S+ 0 0 59 -2,-0.3 4,-2.3 -4,-0.2 5,-0.2 0.904 90.4 37.0 -69.0 -50.1 9.6 0.0 56.7 160 160 A G H > S+ 0 0 56 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.948 120.2 47.4 -65.1 -50.1 9.3 -3.2 54.6 161 161 A L H > S+ 0 0 89 1,-0.2 4,-2.6 2,-0.2 -2,-0.2 0.936 113.7 49.5 -52.7 -49.7 6.0 -2.3 53.1 162 162 A G H X S+ 0 0 2 -4,-2.8 4,-2.3 -8,-0.3 -2,-0.2 0.891 109.4 50.3 -60.0 -44.8 7.3 1.2 52.3 163 163 A E H X S+ 0 0 32 -4,-2.3 4,-2.1 -5,-0.2 -1,-0.2 0.907 112.2 47.7 -60.8 -40.5 10.5 -0.1 50.6 164 164 A Y H X S+ 0 0 133 -4,-2.2 4,-2.5 2,-0.2 -2,-0.2 0.947 111.6 50.0 -65.3 -49.1 8.5 -2.5 48.5 165 165 A L H X S+ 0 0 63 -4,-2.6 4,-2.6 1,-0.2 5,-0.4 0.890 109.9 50.3 -59.4 -41.0 6.0 0.2 47.4 166 166 A F H X>S+ 0 0 2 -4,-2.3 4,-2.4 1,-0.2 5,-1.7 0.955 112.0 46.7 -64.6 -47.7 8.8 2.6 46.4 167 167 A E H <5S+ 0 0 8 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.896 118.5 43.0 -60.1 -40.7 10.6 0.0 44.3 168 168 A R H <5S+ 0 0 122 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.870 124.8 29.3 -69.9 -42.8 7.4 -1.0 42.6 169 169 A L H <5S+ 0 0 141 -4,-2.6 -3,-0.2 -5,-0.2 -2,-0.2 0.662 131.0 25.8-104.4 -19.7 5.7 2.3 42.0 170 170 A T T <5 0 0 70 -4,-2.4 -3,-0.2 -5,-0.4 -4,-0.1 0.754 360.0 360.0-104.9 -47.7 8.6 4.8 41.6 171 171 A L < 0 0 57 -5,-1.7 -125,-0.1 0, 0.0 -124,-0.1 -0.488 360.0 360.0 -81.5 360.0 11.5 2.9 40.3