==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=19-FEB-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER METAL BINDING PROTEIN 19-JUL-06 2HR5 . COMPND 2 MOLECULE: RUBRERYTHRIN; . SOURCE 2 ORGANISM_SCIENTIFIC: PYROCOCCUS FURIOSUS; . AUTHOR B.D.DILLARD,J.R.RUBLE,L.CHEN,Z.J.LIU,F.E.JENNEY JR.,M.W.W.AD . 340 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16044.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 269 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 . 20 5.9 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 1.2 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 . 10 2.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 18 5.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 207 60.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 12 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 0 0 2 0 0 0 0 2 0 0 0 0 0 0 2 0 0 0 1 1 2 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 . 2 0 4 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 2 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 V 0 0 85 0, 0.0 61,-0.2 0, 0.0 2,-0.2 0.000 360.0 360.0 360.0 128.4 93.5 40.5 31.8 2 3 A V + 0 0 3 59,-1.9 268,-0.0 1,-0.2 3,-0.0 -0.522 360.0 176.8 -63.7 134.9 96.2 39.7 29.2 3 4 A K + 0 0 167 -2,-0.2 -1,-0.2 5,-0.0 2,-0.1 0.670 43.8 96.3-118.3 -22.0 99.5 39.7 31.1 4 5 A R S > S- 0 0 146 1,-0.1 4,-2.8 264,-0.1 5,-0.2 -0.403 70.1-134.0 -70.7 139.9 102.1 38.8 28.5 5 6 A T H > S+ 0 0 112 1,-0.2 4,-4.0 2,-0.2 5,-0.2 0.935 100.6 45.6 -62.5 -54.2 104.0 41.7 26.9 6 7 A M H > S+ 0 0 90 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.907 116.7 45.9 -55.2 -46.4 103.8 40.7 23.2 7 8 A T H > S+ 0 0 2 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.926 113.7 49.3 -66.4 -44.3 100.1 39.7 23.4 8 9 A K H X S+ 0 0 106 -4,-2.8 4,-2.2 1,-0.2 -2,-0.2 0.970 111.4 50.2 -56.6 -51.7 99.4 43.0 25.3 9 10 A K H X S+ 0 0 100 -4,-4.0 4,-2.0 1,-0.2 -2,-0.2 0.917 112.7 46.9 -50.6 -44.6 101.3 44.9 22.6 10 11 A F H X S+ 0 0 36 -4,-2.7 4,-2.7 2,-0.2 -2,-0.2 0.888 108.9 51.5 -67.9 -44.6 99.3 43.1 19.8 11 12 A L H X S+ 0 0 2 -4,-2.7 4,-2.8 2,-0.2 -1,-0.2 0.853 110.5 53.3 -62.0 -30.2 95.9 43.7 21.4 12 13 A E H X S+ 0 0 71 -4,-2.2 4,-2.6 -5,-0.2 -2,-0.2 0.909 109.6 44.9 -69.7 -42.9 97.0 47.4 21.6 13 14 A E H X S+ 0 0 83 -4,-2.0 4,-3.3 2,-0.2 -2,-0.2 0.888 115.8 49.0 -65.0 -35.9 97.8 47.7 18.0 14 15 A A H X S+ 0 0 0 -4,-2.7 4,-3.4 2,-0.2 5,-0.3 0.897 109.0 51.9 -72.4 -39.5 94.6 45.8 17.2 15 16 A F H X S+ 0 0 7 -4,-2.8 4,-2.3 2,-0.2 -2,-0.2 0.954 113.2 44.7 -56.2 -50.6 92.7 48.2 19.5 16 17 A A H X S+ 0 0 17 -4,-2.6 4,-2.4 1,-0.2 5,-0.2 0.964 114.4 50.6 -54.8 -51.3 94.2 51.1 17.6 17 18 A G H X S+ 0 0 17 -4,-3.3 4,-2.5 1,-0.2 -2,-0.2 0.893 110.5 47.9 -58.4 -41.0 93.5 49.3 14.2 18 19 A E H X S+ 0 0 0 -4,-3.4 4,-2.7 1,-0.2 -1,-0.2 0.902 109.8 52.8 -69.7 -35.4 89.8 48.6 15.1 19 20 A S H X S+ 0 0 0 -4,-2.3 4,-2.3 -5,-0.3 -2,-0.2 0.927 112.0 45.8 -64.8 -37.0 89.4 52.3 16.2 20 21 A M H X S+ 0 0 46 -4,-2.4 4,-3.0 2,-0.2 5,-0.2 0.904 111.7 51.8 -73.4 -34.8 90.8 53.5 12.8 21 22 A A H X S+ 0 0 0 -4,-2.5 4,-2.7 -5,-0.2 -2,-0.2 0.968 111.2 46.8 -63.5 -46.3 88.7 51.1 11.0 22 23 A H H X S+ 0 0 10 -4,-2.7 4,-2.3 2,-0.2 -2,-0.2 0.908 115.0 47.0 -57.6 -46.6 85.5 52.3 12.8 23 24 A M H X S+ 0 0 0 -4,-2.3 4,-2.8 2,-0.2 -1,-0.2 0.923 111.3 50.0 -65.8 -48.2 86.4 56.0 12.2 24 25 A R H X S+ 0 0 51 -4,-3.0 4,-3.2 2,-0.2 -1,-0.2 0.916 111.2 50.7 -55.7 -42.1 87.2 55.4 8.5 25 26 A Y H X S+ 0 0 1 -4,-2.7 4,-2.6 -5,-0.2 -2,-0.2 0.871 110.1 48.6 -64.7 -39.1 83.8 53.6 8.1 26 27 A L H X S+ 0 0 40 -4,-2.3 4,-2.2 2,-0.2 -1,-0.2 0.919 112.7 47.7 -62.4 -45.3 82.0 56.5 9.8 27 28 A I H X S+ 0 0 2 -4,-2.8 4,-1.6 1,-0.2 -2,-0.2 0.966 114.6 48.1 -61.6 -44.1 83.8 59.0 7.4 28 29 A F H X S+ 0 0 0 -4,-3.2 4,-2.7 2,-0.2 -2,-0.2 0.874 107.0 55.4 -58.3 -44.4 83.0 56.7 4.5 29 30 A A H X S+ 0 0 4 -4,-2.6 4,-2.5 1,-0.2 5,-0.2 0.958 109.3 47.6 -56.7 -51.5 79.3 56.4 5.5 30 31 A E H X S+ 0 0 57 -4,-2.2 4,-1.8 1,-0.2 -1,-0.2 0.805 113.0 47.4 -59.5 -34.4 78.9 60.1 5.5 31 32 A K H X S+ 0 0 65 -4,-1.6 4,-1.1 -5,-0.2 -1,-0.2 0.885 112.7 50.1 -71.8 -38.3 80.7 60.4 2.1 32 33 A A H <>S+ 0 0 0 -4,-2.7 5,-2.8 2,-0.2 3,-0.3 0.892 109.5 49.7 -65.6 -40.6 78.4 57.7 0.7 33 34 A E H ><5S+ 0 0 94 -4,-2.5 3,-1.6 1,-0.2 -1,-0.2 0.962 112.1 50.1 -61.1 -52.0 75.3 59.4 2.0 34 35 A Q H 3<5S+ 0 0 133 -4,-1.8 -1,-0.2 1,-0.3 -2,-0.2 0.682 108.1 52.1 -55.7 -28.5 76.5 62.6 0.3 35 36 A E T 3<5S- 0 0 70 -4,-1.1 -1,-0.3 -3,-0.3 -2,-0.2 0.335 125.3 -95.6 -98.0 4.0 77.2 61.0 -3.0 36 37 A G T < 5S+ 0 0 55 -3,-1.6 -3,-0.2 -4,-0.3 267,-0.2 0.758 90.2 117.4 88.4 25.3 73.7 59.4 -3.3 37 38 A F >< + 0 0 17 -5,-2.8 4,-2.1 -6,-0.1 5,-0.2 -0.618 26.0 162.6-117.4 72.1 74.4 55.9 -1.9 38 39 A P H > S+ 0 0 60 0, 0.0 4,-2.1 0, 0.0 -1,-0.1 0.834 73.5 51.3 -66.5 -23.5 72.3 55.6 1.2 39 40 A N H > S+ 0 0 43 2,-0.2 4,-3.0 265,-0.2 5,-0.1 0.896 109.1 48.9 -82.5 -36.0 72.5 51.7 1.5 40 41 A I H > S+ 0 0 0 2,-0.2 4,-2.6 1,-0.2 5,-0.3 0.946 110.0 53.9 -58.3 -47.0 76.3 51.6 1.2 41 42 A A H X S+ 0 0 0 -4,-2.1 4,-2.2 1,-0.2 -2,-0.2 0.940 108.6 50.1 -50.0 -44.8 76.2 54.3 3.9 42 43 A K H X S+ 0 0 16 -4,-2.1 4,-2.0 1,-0.2 -2,-0.2 0.917 109.7 49.6 -63.5 -44.6 74.1 51.9 5.9 43 44 A L H X S+ 0 0 4 -4,-3.0 4,-2.7 1,-0.2 5,-0.2 0.906 110.0 50.5 -56.1 -43.3 76.5 49.1 5.3 44 45 A F H X S+ 0 0 0 -4,-2.6 4,-2.2 1,-0.2 -2,-0.2 0.884 111.2 49.3 -68.4 -36.5 79.5 51.2 6.4 45 46 A R H X S+ 0 0 93 -4,-2.2 4,-1.8 -5,-0.3 -1,-0.2 0.904 110.4 48.0 -68.9 -44.8 77.8 52.2 9.6 46 47 A A H X S+ 0 0 0 -4,-2.0 4,-2.2 2,-0.2 3,-0.3 0.963 113.1 48.7 -66.0 -46.8 76.8 48.7 10.6 47 48 A I H X S+ 0 0 0 -4,-2.7 4,-2.1 1,-0.2 -2,-0.2 0.919 106.1 59.3 -57.9 -36.4 80.4 47.5 10.0 48 49 A A H X S+ 0 0 2 -4,-2.2 4,-2.0 -5,-0.2 -1,-0.2 0.929 104.0 50.7 -48.6 -46.4 81.5 50.5 12.1 49 50 A Y H X S+ 0 0 47 -4,-1.8 4,-2.6 -3,-0.3 -2,-0.2 0.956 105.4 54.9 -66.0 -42.6 79.5 49.0 14.8 50 51 A A H X S+ 0 0 0 -4,-2.2 4,-2.3 1,-0.2 -1,-0.3 0.878 108.7 50.5 -52.1 -36.7 81.2 45.6 14.4 51 52 A E H X S+ 0 0 0 -4,-2.1 4,-2.9 1,-0.2 -1,-0.2 0.849 106.1 52.1 -78.0 -34.9 84.5 47.3 14.8 52 53 A F H X S+ 0 0 10 -4,-2.0 4,-3.4 -3,-0.2 -1,-0.2 0.842 109.1 53.8 -57.7 -41.4 83.5 49.1 17.9 53 54 A V H X S+ 0 0 0 -4,-2.6 4,-2.6 2,-0.2 -2,-0.2 0.945 112.3 42.2 -64.5 -44.6 82.5 45.6 19.1 54 55 A H H X S+ 0 0 0 -4,-2.3 4,-2.7 2,-0.2 -2,-0.2 0.929 116.2 48.2 -66.4 -37.9 86.0 44.2 18.4 55 56 A A H X S+ 0 0 0 -4,-2.9 4,-2.7 1,-0.2 -2,-0.2 0.968 111.0 51.2 -67.4 -46.3 87.7 47.2 19.8 56 57 A K H X S+ 0 0 34 -4,-3.4 4,-1.9 1,-0.2 -1,-0.2 0.897 110.2 49.9 -56.3 -45.0 85.5 47.0 22.9 57 58 A N H X S+ 0 0 30 -4,-2.6 4,-2.6 2,-0.2 -1,-0.2 0.915 110.4 48.5 -57.5 -47.1 86.5 43.3 23.2 58 59 A H H X S+ 0 0 0 -4,-2.7 4,-2.2 1,-0.2 -2,-0.2 0.927 110.3 53.7 -57.7 -44.3 90.3 44.0 22.9 59 60 A F H <>S+ 0 0 2 -4,-2.7 5,-2.0 2,-0.2 6,-0.3 0.845 110.9 43.9 -55.3 -46.9 89.9 46.9 25.5 60 61 A I H ><5S+ 0 0 85 -4,-1.9 3,-3.3 2,-0.2 -1,-0.2 0.944 109.8 56.1 -70.1 -44.7 88.3 44.6 28.1 61 62 A A H 3<5S+ 0 0 4 -4,-2.6 -59,-1.9 1,-0.3 -2,-0.2 0.897 106.7 52.9 -50.7 -40.4 90.8 41.8 27.4 62 63 A L T 3<5S- 0 0 17 -4,-2.2 -1,-0.3 -61,-0.2 -2,-0.2 0.528 111.5-126.5 -76.7 -0.9 93.4 44.5 28.2 63 64 A G T < 5S+ 0 0 44 -3,-3.3 -3,-0.2 -5,-0.1 -2,-0.1 0.848 71.7 127.8 66.0 31.8 91.7 45.2 31.5 64 65 A K < + 0 0 73 -5,-2.0 2,-0.6 2,-0.1 -4,-0.2 0.458 41.3 92.2-101.4 -6.3 91.4 49.0 30.6 65 66 A L + 0 0 42 -6,-0.3 2,-0.1 -5,-0.1 3,-0.1 -0.832 51.3 161.1 -94.4 118.1 87.6 49.5 31.3 66 67 A G - 0 0 25 -2,-0.6 2,-0.2 1,-0.2 -2,-0.1 -0.260 45.1 -61.6-115.3-157.9 86.8 50.6 34.7 67 68 A K >> - 0 0 125 -2,-0.1 4,-3.4 1,-0.1 3,-0.6 -0.464 63.0 -91.4 -83.6 166.1 83.9 52.2 36.5 68 69 A T H 3> S+ 0 0 0 1,-0.3 4,-3.2 2,-0.2 5,-0.3 0.874 124.8 52.2 -55.5 -48.4 82.7 55.7 35.4 69 70 A P H 3> S+ 0 0 16 0, 0.0 4,-1.6 0, 0.0 -1,-0.3 0.942 115.2 42.7 -61.5 -32.5 84.8 57.7 37.7 70 71 A E H <> S+ 0 0 102 -3,-0.6 4,-2.5 2,-0.2 -2,-0.2 0.930 113.6 52.2 -74.0 -36.6 87.9 55.8 36.6 71 72 A N H X S+ 0 0 1 -4,-3.4 4,-2.3 1,-0.2 5,-0.2 0.969 108.6 50.5 -53.8 -51.7 86.8 56.1 32.9 72 73 A L H X S+ 0 0 0 -4,-3.2 4,-2.5 1,-0.2 -1,-0.2 0.898 108.6 53.7 -53.3 -39.3 86.4 59.9 33.4 73 74 A Q H X S+ 0 0 53 -4,-1.6 4,-2.3 -5,-0.3 -1,-0.2 0.887 105.4 52.1 -69.6 -38.5 89.9 59.9 34.8 74 75 A M H X S+ 0 0 61 -4,-2.5 4,-2.9 2,-0.2 -1,-0.2 0.904 110.9 48.2 -57.9 -40.7 91.3 58.2 31.8 75 76 A G H X S+ 0 0 0 -4,-2.3 4,-2.9 2,-0.2 5,-0.2 0.896 109.0 53.2 -69.3 -40.1 89.6 60.8 29.5 76 77 A I H X S+ 0 0 18 -4,-2.5 4,-2.8 -5,-0.2 5,-0.2 0.910 112.6 45.2 -55.6 -46.3 91.0 63.6 31.7 77 78 A E H X S+ 0 0 120 -4,-2.3 4,-2.1 1,-0.2 -2,-0.2 0.957 113.1 48.8 -66.6 -53.4 94.5 62.1 31.2 78 79 A G H X S+ 0 0 19 -4,-2.9 4,-1.7 1,-0.2 -1,-0.2 0.899 117.3 41.7 -45.6 -52.5 94.1 61.6 27.5 79 80 A E H X S+ 0 0 0 -4,-2.9 4,-2.4 1,-0.2 -2,-0.2 0.900 111.6 52.9 -71.8 -40.8 92.8 65.2 27.0 80 81 A T H X S+ 0 0 32 -4,-2.8 4,-2.0 -5,-0.2 5,-0.4 0.856 110.7 50.5 -61.4 -35.6 95.3 66.9 29.3 81 82 A F H X>S+ 0 0 106 -4,-2.1 4,-2.1 2,-0.2 5,-2.1 0.874 109.4 47.8 -73.6 -37.1 98.0 65.2 27.4 82 83 A E H <>S+ 0 0 9 -4,-1.7 5,-1.9 3,-0.2 -2,-0.2 0.869 116.0 48.6 -69.4 -33.2 96.8 66.2 24.0 83 84 A V H <5S+ 0 0 31 -4,-2.4 -2,-0.2 4,-0.2 -1,-0.2 0.807 124.0 25.1 -71.7 -38.3 96.4 69.7 25.4 84 85 A E H <5S+ 0 0 138 -4,-2.0 -3,-0.2 -5,-0.1 -2,-0.2 0.727 137.9 14.6-100.9 -30.0 99.9 70.1 27.0 85 86 A E T X5S+ 0 0 117 -4,-2.1 4,-1.4 -5,-0.4 -3,-0.2 0.817 120.5 37.4-116.2 -69.8 101.9 67.7 25.1 86 87 A M H > S+ 0 0 45 0, 0.0 4,-2.9 0, 0.0 -1,-0.2 0.951 115.5 40.5 -55.7 -40.3 100.9 72.1 20.9 89 90 A V H X S+ 0 0 84 -4,-1.4 4,-1.8 -3,-0.4 -2,-0.2 0.862 116.1 47.9 -73.0 -41.4 103.9 70.3 19.4 90 91 A Y H X S+ 0 0 23 -4,-2.7 4,-2.5 -5,-0.2 5,-0.2 0.921 115.1 48.7 -62.1 -37.6 102.1 68.9 16.3 91 92 A N H X S+ 0 0 28 -4,-3.8 4,-2.4 -5,-0.3 -2,-0.2 0.977 111.0 46.8 -69.9 -49.9 100.7 72.3 15.8 92 93 A K H X S+ 0 0 123 -4,-2.9 4,-2.6 -5,-0.4 -1,-0.2 0.820 113.1 52.6 -57.3 -30.6 104.1 74.1 16.1 93 94 A A H X S+ 0 0 19 -4,-1.8 4,-1.6 2,-0.2 -1,-0.2 0.872 107.3 49.4 -76.7 -36.7 105.6 71.5 13.8 94 95 A A H X>S+ 0 0 0 -4,-2.5 5,-2.0 2,-0.2 4,-0.6 0.968 114.4 45.8 -63.5 -46.4 103.0 72.0 11.1 95 96 A E H ><5S+ 0 0 90 -4,-2.4 3,-1.8 1,-0.3 -2,-0.2 0.952 110.6 52.7 -61.6 -48.3 103.5 75.7 11.2 96 97 A F H 3<5S+ 0 0 177 -4,-2.6 -1,-0.3 1,-0.3 -2,-0.2 0.841 113.4 45.7 -50.9 -38.3 107.3 75.3 11.2 97 98 A Q H 3<5S- 0 0 46 -4,-1.6 -1,-0.3 -3,-0.3 -2,-0.2 0.451 113.8-115.2 -89.7 2.6 106.9 73.1 8.1 98 99 A G T <<5 + 0 0 40 -3,-1.8 2,-1.6 -4,-0.6 -3,-0.2 0.598 65.8 143.8 74.7 10.9 104.5 75.5 6.2 99 100 A E >>< + 0 0 22 -5,-2.0 4,-2.3 -6,-0.2 3,-0.7 -0.576 22.8 178.9 -89.1 79.6 101.5 73.0 6.3 100 101 A K H 3> S+ 0 0 143 -2,-1.6 4,-2.6 1,-0.2 -1,-0.2 0.811 77.7 53.4 -46.6 -42.2 98.6 75.5 6.8 101 102 A E H 3> S+ 0 0 64 2,-0.2 4,-3.1 1,-0.2 -1,-0.2 0.894 109.1 48.8 -63.9 -38.7 95.9 72.7 6.7 102 103 A A H <> S+ 0 0 0 -3,-0.7 4,-1.9 1,-0.2 5,-0.3 0.895 109.8 52.6 -73.8 -38.5 97.7 70.8 9.5 103 104 A V H X S+ 0 0 37 -4,-2.3 4,-2.2 2,-0.2 -2,-0.2 0.935 111.7 48.0 -47.3 -51.8 98.0 74.1 11.4 104 105 A R H X S+ 0 0 127 -4,-2.6 4,-3.1 1,-0.2 -2,-0.2 0.971 114.3 42.4 -62.0 -53.2 94.2 74.4 11.0 105 106 A T H X S+ 0 0 10 -4,-3.1 4,-2.2 1,-0.2 -1,-0.2 0.813 116.4 46.3 -70.8 -26.5 93.2 70.9 12.0 106 107 A T H X S+ 0 0 1 -4,-1.9 4,-2.8 2,-0.2 -1,-0.2 0.838 113.4 50.1 -84.5 -35.0 95.5 70.6 15.0 107 108 A H H X S+ 0 0 75 -4,-2.2 4,-2.2 -5,-0.3 5,-0.3 0.945 109.2 52.7 -61.5 -48.9 94.5 74.1 16.2 108 109 A Y H X S+ 0 0 39 -4,-3.1 4,-1.5 -5,-0.2 -2,-0.2 0.970 115.2 40.0 -49.3 -62.1 90.8 73.0 15.8 109 110 A A H X S+ 0 0 0 -4,-2.2 4,-2.7 1,-0.2 5,-0.2 0.901 111.0 57.5 -54.4 -47.8 91.4 69.9 18.0 110 111 A L H X S+ 0 0 20 -4,-2.8 4,-2.0 1,-0.2 -1,-0.2 0.931 106.9 48.2 -50.6 -49.6 93.7 71.6 20.6 111 112 A E H X S+ 0 0 53 -4,-2.2 4,-1.0 1,-0.2 -1,-0.2 0.889 113.8 48.2 -64.8 -34.7 91.0 74.2 21.4 112 113 A A H X S+ 0 0 1 -4,-1.5 4,-3.0 -5,-0.3 -1,-0.2 0.870 106.6 55.3 -70.5 -35.9 88.4 71.5 21.8 113 114 A E H X S+ 0 0 0 -4,-2.7 4,-2.7 1,-0.2 5,-0.2 0.929 100.5 59.4 -66.3 -39.9 90.6 69.3 24.0 114 115 A K H X S+ 0 0 85 -4,-2.0 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