==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=17-APR-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXYGEN BINDING 25-OCT-10 3AQ7 . COMPND 2 MOLECULE: GROUP 1 TRUNCATED HEMOGLOBIN; . SOURCE 2 ORGANISM_SCIENTIFIC: TETRAHYMENA PYRIFORMIS; . AUTHOR J.IGARASHI,K.KOBAYASHI,A.MATSUOKA . 234 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12907.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 177 75.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 4 1.7 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 3.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 38 16.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 116 49.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 2.6 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 6 0 0 0 0 0 0 1 1 0 0 2 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 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 Q 0 0 168 0, 0.0 2,-0.3 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 132.0 27.0 49.0 21.2 2 6 A T > - 0 0 44 1,-0.1 4,-2.4 53,-0.0 53,-0.2 -0.792 360.0-111.9-103.3 166.4 27.2 45.6 19.5 3 7 A I H > S+ 0 0 20 51,-0.5 4,-2.4 -2,-0.3 6,-0.2 0.908 120.8 58.7 -62.6 -38.4 24.1 43.3 19.2 4 8 A Y H 4>S+ 0 0 27 50,-3.1 5,-2.7 1,-0.2 4,-0.4 0.899 108.9 43.1 -53.2 -46.4 25.8 41.0 21.7 5 9 A E H >45S+ 0 0 100 49,-0.3 3,-1.2 3,-0.2 -1,-0.2 0.872 111.1 54.9 -67.6 -42.3 25.9 43.8 24.2 6 10 A K H 3<5S+ 0 0 84 -4,-2.4 -2,-0.2 1,-0.3 -1,-0.2 0.845 105.8 52.7 -59.5 -32.6 22.3 44.8 23.4 7 11 A L T 3<5S- 0 0 22 -4,-2.4 -1,-0.3 -5,-0.1 -2,-0.2 0.590 132.7 -92.2 -76.6 -16.5 21.2 41.2 24.1 8 12 A G T <>5 - 0 0 49 -3,-1.2 4,-0.7 -4,-0.4 3,-0.4 0.530 55.6-108.9 110.5 15.9 22.9 41.4 27.5 9 13 A G H > S+ 0 0 105 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.892 132.3 48.5 -67.7 -42.6 28.0 36.9 28.1 11 15 A N H > S+ 0 0 131 -3,-0.4 4,-1.1 1,-0.2 -1,-0.2 0.861 112.9 50.6 -68.8 -26.6 25.5 35.8 30.8 12 16 A A H X S+ 0 0 30 -4,-0.7 4,-2.6 -3,-0.2 -1,-0.2 0.911 110.5 48.4 -72.5 -41.6 22.6 36.4 28.5 13 17 A M H X S+ 0 0 12 -4,-2.4 4,-2.5 1,-0.2 -2,-0.2 0.921 108.8 53.1 -65.1 -40.7 24.2 34.3 25.7 14 18 A K H < S+ 0 0 117 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.799 113.9 43.7 -66.9 -27.6 24.9 31.4 28.1 15 19 A A H X S+ 0 0 51 -4,-1.1 4,-1.3 -5,-0.2 -1,-0.2 0.863 113.3 51.9 -77.8 -39.8 21.2 31.5 29.0 16 20 A A H X S+ 0 0 5 -4,-2.6 4,-2.8 2,-0.2 -2,-0.2 0.890 100.6 59.5 -67.5 -42.5 20.0 31.8 25.4 17 21 A V H X S+ 0 0 1 -4,-2.5 4,-2.6 1,-0.2 5,-0.2 0.958 108.6 40.9 -62.3 -44.9 21.8 29.0 23.8 18 22 A P H > S+ 0 0 62 0, 0.0 4,-2.2 0, 0.0 -1,-0.2 0.839 115.2 52.4 -71.9 -25.0 20.5 26.1 25.9 19 23 A L H X S+ 0 0 24 -4,-1.3 4,-2.3 2,-0.2 5,-0.2 0.926 109.4 50.0 -72.6 -39.8 17.0 27.6 25.8 20 24 A F H X S+ 0 0 8 -4,-2.8 4,-3.0 2,-0.2 5,-0.2 0.942 111.6 48.2 -58.2 -42.8 17.3 27.8 22.0 21 25 A F H X S+ 0 0 12 -4,-2.6 4,-3.1 1,-0.2 -1,-0.2 0.898 106.6 57.1 -66.3 -36.6 18.4 24.1 22.0 22 26 A K H < S+ 0 0 145 -4,-2.2 4,-0.3 1,-0.2 -1,-0.2 0.905 113.5 40.4 -60.9 -39.2 15.4 23.3 24.3 23 27 A K H >< S+ 0 0 52 -4,-2.3 3,-1.2 2,-0.2 4,-0.4 0.938 115.2 50.5 -76.8 -43.0 13.0 24.8 21.6 24 28 A V H >< S+ 0 0 4 -4,-3.0 3,-1.7 1,-0.3 6,-0.3 0.915 108.6 52.7 -54.6 -44.2 14.9 23.3 18.6 25 29 A L T 3< S+ 0 0 72 -4,-3.1 -1,-0.3 1,-0.3 -2,-0.2 0.551 111.3 47.7 -77.6 -7.0 14.9 19.8 20.2 26 30 A A T < S+ 0 0 72 -3,-1.2 2,-0.6 -4,-0.3 -1,-0.3 0.374 89.5 98.9-101.5 2.5 11.1 20.1 20.6 27 31 A D X> - 0 0 21 -3,-1.7 4,-2.6 -4,-0.4 3,-1.6 -0.783 64.1-149.8 -99.7 114.4 10.4 21.3 17.0 28 32 A E T 34 S+ 0 0 52 -2,-0.6 4,-0.3 1,-0.2 -1,-0.2 0.751 93.1 63.4 -50.4 -26.0 9.2 18.6 14.6 29 33 A R T 34 S+ 0 0 20 1,-0.1 -1,-0.2 2,-0.1 144,-0.1 0.801 125.4 3.0 -74.4 -23.0 10.9 20.3 11.7 30 34 A V T X4 S+ 0 0 3 -3,-1.6 3,-1.4 -6,-0.3 4,-0.4 0.557 95.2 98.1-138.1 -7.7 14.4 20.0 12.9 31 35 A K G >< S+ 0 0 39 -4,-2.6 3,-1.7 1,-0.3 -3,-0.1 0.856 81.8 62.4 -62.2 -37.0 14.9 18.1 16.2 32 36 A H G > S+ 0 0 26 -4,-0.3 3,-1.8 -5,-0.3 -1,-0.3 0.737 86.1 71.5 -64.1 -24.5 15.8 14.9 14.5 33 37 A F G < S+ 0 0 44 -3,-1.4 3,-0.3 1,-0.3 -1,-0.3 0.715 98.8 53.6 -58.0 -24.6 19.0 16.4 12.9 34 38 A F G X S+ 0 0 47 -3,-1.7 3,-2.1 -4,-0.4 -1,-0.3 0.330 72.1 112.4 -91.8 3.8 20.4 16.4 16.5 35 39 A K T < S+ 0 0 172 -3,-1.8 -1,-0.2 1,-0.3 -2,-0.1 0.816 90.3 26.9 -46.2 -46.1 19.8 12.7 17.3 36 40 A N T 3 S+ 0 0 149 -3,-0.3 -1,-0.3 -4,-0.2 2,-0.3 0.207 95.3 125.1-109.5 20.9 23.5 11.7 17.4 37 41 A T < - 0 0 52 -3,-2.1 2,-1.1 1,-0.1 3,-0.1 -0.569 65.6-127.9 -88.1 136.4 24.9 15.1 18.4 38 42 A D > - 0 0 104 -2,-0.3 4,-2.5 1,-0.2 5,-0.2 -0.735 27.8-164.5 -76.3 103.6 27.1 15.6 21.5 39 43 A M H > S+ 0 0 44 -2,-1.1 4,-2.2 1,-0.2 -1,-0.2 0.816 81.4 56.1 -73.0 -25.3 24.9 18.5 22.9 40 44 A D H > S+ 0 0 139 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.968 112.6 42.2 -63.1 -51.0 27.5 19.8 25.4 41 45 A H H > S+ 0 0 106 1,-0.2 4,-2.6 2,-0.2 -2,-0.2 0.906 114.6 49.8 -57.1 -45.2 30.0 20.2 22.6 42 46 A Q H X S+ 0 0 47 -4,-2.5 4,-2.7 2,-0.2 5,-0.3 0.846 107.1 56.4 -66.9 -33.6 27.4 21.7 20.3 43 47 A T H X S+ 0 0 38 -4,-2.2 4,-2.4 -5,-0.2 5,-0.2 0.938 110.3 45.4 -62.0 -43.4 26.4 24.2 23.2 44 48 A K H X S+ 0 0 110 -4,-2.1 4,-2.9 2,-0.2 5,-0.2 0.956 114.7 46.3 -66.2 -47.9 29.9 25.4 23.4 45 49 A Q H X S+ 0 0 30 -4,-2.6 4,-2.4 1,-0.2 -1,-0.2 0.900 115.1 46.4 -59.2 -44.1 30.4 25.8 19.6 46 50 A Q H X S+ 0 0 40 -4,-2.7 4,-2.8 2,-0.2 5,-0.3 0.889 111.4 50.6 -71.0 -39.3 27.1 27.5 19.1 47 51 A T H X S+ 0 0 21 -4,-2.4 4,-2.6 -5,-0.3 5,-0.2 0.963 114.3 45.8 -58.5 -47.2 27.7 29.9 22.0 48 52 A D H X S+ 0 0 28 -4,-2.9 4,-2.2 -5,-0.2 11,-0.4 0.909 114.4 48.6 -64.1 -37.4 31.2 30.7 20.5 49 53 A F H X S+ 0 0 25 -4,-2.4 4,-3.0 -5,-0.2 5,-0.2 0.961 114.8 42.3 -70.7 -48.4 29.7 31.1 17.0 50 54 A L H X S+ 0 0 8 -4,-2.8 4,-2.3 2,-0.2 6,-0.3 0.897 113.4 53.7 -64.3 -38.3 26.8 33.4 18.0 51 55 A T H <>S+ 0 0 12 -4,-2.6 5,-2.7 -5,-0.3 4,-0.2 0.945 113.3 42.7 -62.2 -42.6 29.0 35.4 20.3 52 56 A M H ><5S+ 0 0 52 -4,-2.2 3,-1.2 -5,-0.2 -2,-0.2 0.925 114.9 49.9 -67.5 -45.6 31.5 36.0 17.5 53 57 A L H 3<5S+ 0 0 47 -4,-3.0 -2,-0.2 1,-0.3 -1,-0.2 0.873 110.4 49.1 -65.2 -35.6 28.8 36.8 14.9 54 58 A L T 3<5S- 0 0 9 -4,-2.3 -50,-3.1 -5,-0.2 -51,-0.5 0.325 126.3 -93.0 -94.7 14.4 26.9 39.3 17.0 55 59 A G T < 5S+ 0 0 40 -3,-1.2 -3,-0.2 -4,-0.2 -2,-0.1 0.565 84.8 121.3 95.7 12.8 30.0 41.3 18.0 56 60 A G S - 0 0 80 1,-0.1 4,-3.0 4,-0.0 5,-0.2 -0.271 42.7 -98.2 -77.2 172.1 32.6 27.2 8.6 65 69 A M H > S+ 0 0 25 1,-0.2 4,-0.9 2,-0.2 -1,-0.1 0.782 122.2 50.3 -77.4 -17.3 28.8 27.0 7.9 66 70 A T H 4 S+ 0 0 51 2,-0.2 3,-0.4 1,-0.1 -1,-0.2 0.959 114.9 42.4 -77.0 -49.9 29.2 24.9 4.7 67 71 A E H >4 S+ 0 0 103 1,-0.2 3,-1.3 2,-0.2 -2,-0.2 0.886 109.7 58.9 -57.5 -44.6 31.4 22.3 6.3 68 72 A A H 3< S+ 0 0 31 -4,-3.0 -1,-0.2 1,-0.3 -2,-0.2 0.874 117.7 31.1 -55.7 -32.4 29.3 22.2 9.5 69 73 A H T >< S+ 0 0 44 -4,-0.9 3,-1.8 -3,-0.4 4,-0.5 0.123 85.8 145.3-117.7 19.0 26.2 21.2 7.5 70 74 A K T < S+ 0 0 162 -3,-1.3 -3,-0.1 1,-0.3 47,-0.0 -0.279 71.6 11.8 -63.3 137.0 27.9 19.2 4.8 71 75 A G T 3 S+ 0 0 33 1,-0.1 -1,-0.3 3,-0.0 -4,-0.1 0.335 100.6 98.3 77.2 1.0 25.9 16.2 3.5 72 76 A M S < S- 0 0 62 -3,-1.8 106,-0.2 42,-0.1 -2,-0.1 0.722 71.7-150.5 -89.1 -20.6 22.7 17.3 5.4 73 77 A N - 0 0 16 44,-2.0 42,-0.1 -4,-0.5 -3,-0.1 0.940 23.0-158.1 45.1 52.8 21.1 18.9 2.2 74 78 A L B -a 115 0A 18 40,-0.6 42,-2.2 -5,-0.4 2,-0.3 -0.278 2.1-143.7 -62.1 144.8 19.3 21.3 4.5 75 79 A Q >> - 0 0 6 40,-0.2 3,-1.6 -3,-0.1 4,-1.5 -0.729 26.2-103.1-110.6 158.4 16.2 22.9 3.0 76 80 A N H 3> S+ 0 0 39 -2,-0.3 4,-2.6 1,-0.3 5,-0.3 0.859 118.6 60.2 -49.2 -37.7 14.8 26.4 3.5 77 81 A L H 3> S+ 0 0 4 1,-0.2 4,-1.7 2,-0.2 -1,-0.3 0.842 102.4 54.1 -65.3 -25.9 12.1 25.2 5.9 78 82 A H H <> S+ 0 0 6 -3,-1.6 4,-2.0 2,-0.2 -1,-0.2 0.936 109.7 46.5 -71.9 -42.1 14.9 23.9 8.3 79 83 A F H X S+ 0 0 9 -4,-1.5 4,-2.5 1,-0.2 5,-0.2 0.934 109.6 53.4 -69.3 -39.7 16.6 27.3 8.3 80 84 A D H X S+ 0 0 24 -4,-2.6 4,-2.8 1,-0.2 -1,-0.2 0.895 108.6 52.1 -54.7 -41.4 13.3 29.2 8.9 81 85 A A H X S+ 0 0 0 -4,-1.7 4,-2.5 -5,-0.3 -1,-0.2 0.927 107.3 50.2 -64.8 -42.6 12.7 26.9 11.9 82 86 A I H X S+ 0 0 47 -4,-2.0 4,-2.4 2,-0.2 5,-0.2 0.941 113.5 45.9 -61.7 -47.9 16.1 27.6 13.4 83 87 A I H X S+ 0 0 32 -4,-2.5 4,-2.9 1,-0.2 -2,-0.2 0.923 111.5 52.2 -60.7 -44.6 15.5 31.4 13.1 84 88 A E H X S+ 0 0 98 -4,-2.8 4,-2.6 1,-0.2 -1,-0.2 0.897 111.4 47.2 -57.7 -41.2 12.0 31.1 14.5 85 89 A N H X S+ 0 0 18 -4,-2.5 4,-1.8 2,-0.2 -1,-0.2 0.845 112.0 48.7 -71.5 -36.9 13.3 29.2 17.5 86 90 A L H X S+ 0 0 20 -4,-2.4 4,-2.6 2,-0.2 5,-0.2 0.920 113.2 49.0 -66.0 -42.7 16.2 31.7 18.2 87 91 A A H X S+ 0 0 32 -4,-2.9 4,-2.6 1,-0.2 -2,-0.2 0.932 111.8 47.8 -62.0 -44.1 13.6 34.6 17.9 88 92 A A H X S+ 0 0 43 -4,-2.6 4,-2.5 1,-0.2 -1,-0.2 0.842 111.2 52.6 -64.9 -34.6 11.2 32.8 20.3 89 93 A T H X S+ 0 0 0 -4,-1.8 4,-1.9 2,-0.2 -2,-0.2 0.949 111.5 44.3 -61.5 -52.4 14.1 32.2 22.7 90 94 A L H <>S+ 0 0 11 -4,-2.6 5,-2.6 1,-0.2 4,-0.3 0.904 113.7 51.1 -67.0 -35.8 15.3 35.8 22.8 91 95 A K H ><5S+ 0 0 145 -4,-2.6 3,-1.9 -5,-0.2 -1,-0.2 0.951 108.7 50.9 -64.4 -43.1 11.6 37.0 23.2 92 96 A E H 3<5S+ 0 0 111 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.854 107.8 54.6 -62.1 -32.2 11.0 34.6 26.1 93 97 A L T 3<5S- 0 0 80 -4,-1.9 -1,-0.3 -5,-0.1 -2,-0.2 0.424 125.9-101.6 -83.9 3.6 14.2 36.0 27.7 94 98 A G T < 5 + 0 0 63 -3,-1.9 -3,-0.2 -4,-0.3 2,-0.2 0.610 68.5 150.4 94.1 13.3 12.9 39.6 27.4 95 99 A V < - 0 0 23 -5,-2.6 -1,-0.3 -6,-0.1 -88,-0.1 -0.528 48.0-114.8 -78.8 142.3 14.8 40.9 24.3 96 100 A T > - 0 0 88 -2,-0.2 4,-2.4 1,-0.1 5,-0.2 -0.349 22.0-111.2 -75.3 159.1 12.8 43.6 22.4 97 101 A D H > S+ 0 0 108 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.901 116.1 58.0 -55.8 -37.4 11.6 42.9 18.8 98 102 A A H > S+ 0 0 68 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.912 109.2 43.2 -61.0 -42.0 14.1 45.5 17.4 99 103 A V H > S+ 0 0 21 2,-0.2 4,-2.6 -3,-0.2 -1,-0.2 0.913 111.6 53.0 -73.1 -39.9 17.1 43.7 18.9 100 104 A I H X S+ 0 0 10 -4,-2.4 4,-2.9 1,-0.2 5,-0.2 0.934 110.1 50.9 -58.8 -39.9 15.9 40.3 17.8 101 105 A N H X S+ 0 0 105 -4,-2.5 4,-2.3 -5,-0.2 -1,-0.2 0.889 107.0 52.0 -66.2 -37.8 15.6 41.6 14.3 102 106 A E H X S+ 0 0 74 -4,-1.7 4,-1.4 2,-0.2 -1,-0.2 0.915 113.0 45.3 -63.6 -44.5 19.1 43.0 14.3 103 107 A A H X S+ 0 0 1 -4,-2.6 4,-2.4 1,-0.2 3,-0.3 0.937 112.4 50.2 -64.2 -42.7 20.4 39.7 15.3 104 108 A A H X S+ 0 0 27 -4,-2.9 4,-2.7 1,-0.2 -1,-0.2 0.864 104.8 58.7 -60.4 -39.3 18.3 37.8 12.8 105 109 A K H X S+ 0 0 155 -4,-2.3 4,-0.6 -5,-0.2 -1,-0.2 0.866 108.9 44.4 -61.5 -39.1 19.5 40.1 10.0 106 110 A V H >< S+ 0 0 46 -4,-1.4 3,-1.2 -3,-0.3 4,-0.3 0.957 115.7 46.5 -67.7 -50.0 23.1 39.1 10.7 107 111 A I H >< S+ 0 0 15 -4,-2.4 3,-2.3 1,-0.3 4,-0.3 0.851 98.8 69.9 -62.5 -33.2 22.4 35.4 11.0 108 112 A E H >< S+ 0 0 77 -4,-2.7 3,-2.1 1,-0.3 4,-0.4 0.813 85.0 70.0 -57.3 -32.4 20.3 35.3 7.9 109 113 A H T << S+ 0 0 134 -3,-1.2 3,-0.3 -4,-0.6 -1,-0.3 0.742 90.4 63.6 -57.9 -19.4 23.4 35.9 5.7 110 114 A T T X> S+ 0 0 15 -3,-2.3 4,-1.1 -4,-0.3 3,-1.0 0.566 76.6 90.6 -80.6 -9.4 24.5 32.4 6.6 111 115 A R H X> S+ 0 0 38 -3,-2.1 4,-2.0 1,-0.3 3,-1.2 0.935 85.7 47.3 -56.8 -46.2 21.5 30.7 4.9 112 116 A K H 34 S+ 0 0 166 -4,-0.4 -1,-0.3 -3,-0.3 -2,-0.1 0.726 106.4 61.3 -70.1 -20.5 23.1 30.3 1.4 113 117 A D H <4 S+ 0 0 62 -3,-1.0 -1,-0.3 -4,-0.2 -2,-0.2 0.783 116.3 27.8 -73.6 -26.8 26.3 28.8 3.1 114 118 A M H X< S+ 0 0 20 -3,-1.2 3,-0.9 -4,-1.1 -40,-0.6 0.638 93.1 98.5-115.1 -17.0 24.4 25.9 4.6 115 119 A L B 3< S+a 74 0A 39 -4,-2.0 -40,-0.2 1,-0.2 -42,-0.1 -0.531 94.9 6.3 -73.5 136.0 21.4 25.0 2.5 116 120 A G T 3 0 0 45 -42,-2.2 -1,-0.2 -2,-0.2 -41,-0.1 0.741 360.0 360.0 74.3 26.5 21.8 22.2 0.0 117 121 A K < 0 0 99 -3,-0.9 -44,-2.0 -48,-0.3 -1,-0.2 -0.340 360.0 360.0-102.0 360.0 25.2 21.1 1.2 118 !* 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 119 5 B Q 0 0 149 0, 0.0 2,-0.3 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0-167.9 9.6 10.1 19.2 120 6 B T > - 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0 0 17 -5,-2.3 -1,-0.3 -6,-0.1 -88,-0.1 -0.770 50.2-108.4 -84.1 138.8 -2.1 5.7 10.6 214 100 B T > - 0 0 90 -2,-0.3 4,-2.4 1,-0.1 5,-0.2 -0.281 18.2-120.5 -58.5 150.9 -4.1 7.8 13.2 215 101 B D H > S+ 0 0 102 1,-0.2 4,-3.0 2,-0.2 5,-0.2 0.957 115.0 58.0 -56.3 -51.4 -5.7 11.2 12.3 216 102 B A H > S+ 0 0 58 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.896 110.5 41.8 -43.2 -51.3 -3.5 12.8 15.0 217 103 B V H > S+ 0 0 22 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.897 111.1 54.9 -67.4 -42.9 -0.3 11.5 13.4 218 104 B I H X S+ 0 0 10 -4,-2.4 4,-2.8 1,-0.2 5,-0.2 0.940 107.4 52.5 -52.4 -45.5 -1.4 12.3 9.8 219 105 B N H X S+ 0 0 97 -4,-3.0 4,-1.9 1,-0.2 -1,-0.2 0.848 106.3 51.6 -67.7 -32.9 -2.0 15.9 11.0 220 106 B E H X S+ 0 0 57 -4,-1.4 4,-1.6 -5,-0.2 -1,-0.2 0.923 111.9 47.6 -65.0 -43.2 1.6 16.2 12.4 221 107 B A H X S+ 0 0 2 -4,-2.3 4,-2.5 1,-0.2 3,-0.3 0.923 111.9 48.9 -60.7 -49.7 3.0 15.0 9.2 222 108 B A H X S+ 0 0 26 -4,-2.8 4,-2.7 1,-0.2 -1,-0.2 0.866 107.7 56.5 -59.9 -33.9 0.8 17.4 7.2 223 109 B K H < S+ 0 0 130 -4,-1.9 4,-0.4 -5,-0.2 -1,-0.2 0.877 109.6 44.2 -68.6 -36.3 1.9 20.2 9.5 224 110 B V H >< S+ 0 0 4 -4,-1.6 3,-1.6 -3,-0.3 4,-0.3 0.940 115.1 49.1 -67.0 -49.7 5.6 19.6 8.7 225 111 B I H >< S+ 0 0 12 -4,-2.5 3,-2.5 1,-0.3 4,-0.2 0.862 97.0 69.4 -63.7 -31.8 4.9 19.3 5.1 226 112 B E G >< S+ 0 0 78 -4,-2.7 3,-1.9 1,-0.3 4,-0.4 0.742 85.1 71.1 -57.4 -27.9 2.8 22.4 4.9 227 113 B H G < S+ 0 0 73 -3,-1.6 3,-0.3 -4,-0.4 -1,-0.3 0.787 91.2 60.0 -68.8 -16.0 6.0 24.5 5.5 228 114 B T G X> S+ 0 0 3 -3,-2.5 4,-1.0 -4,-0.3 3,-1.0 0.558 79.8 89.4 -80.5 -9.6 7.2 23.6 2.0 229 115 B R H X> S+ 0 0 38 -3,-1.9 4,-2.3 1,-0.3 3,-1.4 0.933 86.2 48.4 -56.2 -48.9 4.1 25.2 0.3 230 116 B K H 34 S+ 0 0 123 -4,-0.4 -1,-0.3 -3,-0.3 -2,-0.1 0.731 107.9 58.0 -68.7 -22.0 5.6 28.7 -0.1 231 117 B D H <4 S+ 0 0 19 -3,-1.0 -1,-0.3 -4,-0.2 -2,-0.2 0.733 116.9 29.7 -78.6 -21.7 8.9 27.2 -1.6 232 118 B M H X< S+ 0 0 21 -3,-1.4 3,-0.8 -4,-1.0 -40,-0.6 0.618 94.7 95.9-118.9 -18.6 7.2 25.4 -4.5 233 119 B L B 3< S+b 192 0B 35 -4,-2.3 -40,-0.2 1,-0.2 -42,-0.1 -0.543 94.5 7.6 -74.9 138.5 4.1 27.5 -5.5 234 120 B G T 3 0 0 45 -42,-1.9 -1,-0.2 -2,-0.2 -41,-0.1 0.757 360.0 360.0 77.4 22.5 4.3 29.9 -8.2 235 121 B K < 0 0 103 -3,-0.8 -44,-1.9 -48,-0.3 -1,-0.2 -0.320 360.0 360.0 -98.7 360.0 7.8 28.9 -9.4