==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=5-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXYGEN STORAGE 19-DEC-08 2W6Y . COMPND 2 MOLECULE: MYOGLOBIN; . SOURCE 2 ORGANISM_SCIENTIFIC: PHYSETER CATODON; . AUTHOR A.E.MIELE,F.DRAGHI,F.RENZI,G.SCIARA,K.A.JOHNSON,B.VALLONE, . 153 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8474.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 125 81.7 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 2.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 17 11.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 98 64.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 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 0 0 1 0 0 0 0 0 0 1 1 1 0 0 1 1 0 0 0 0 0 1 0 0 0 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 V 0 0 177 0, 0.0 2,-0.1 0, 0.0 79,-0.1 0.000 360.0 360.0 360.0 121.0 26.9 11.7 -11.3 2 2 A L - 0 0 13 1,-0.1 2,-0.1 131,-0.1 128,-0.0 -0.474 360.0-122.1 -75.4 148.4 28.6 14.9 -10.1 3 3 A S > - 0 0 57 -2,-0.1 4,-2.4 1,-0.1 5,-0.2 -0.452 26.6-110.2 -78.1 162.2 29.8 17.5 -12.6 4 4 A E H > S+ 0 0 96 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.903 121.9 55.2 -58.1 -40.3 33.4 18.6 -12.7 5 5 A G H > S+ 0 0 46 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.901 107.5 48.9 -59.7 -41.9 32.3 22.0 -11.3 6 6 A E H > S+ 0 0 46 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.931 109.6 51.7 -63.3 -45.3 30.6 20.2 -8.4 7 7 A W H X S+ 0 0 15 -4,-2.4 4,-2.9 1,-0.2 -2,-0.2 0.891 107.2 54.0 -57.6 -39.4 33.8 18.1 -7.8 8 8 A Q H X S+ 0 0 66 -4,-2.5 4,-2.5 1,-0.2 -1,-0.2 0.893 105.7 51.7 -66.8 -36.0 35.8 21.3 -7.7 9 9 A L H X S+ 0 0 68 -4,-1.8 4,-1.4 2,-0.2 -1,-0.2 0.911 112.4 47.7 -61.5 -39.6 33.5 22.7 -5.0 10 10 A V H X S+ 0 0 0 -4,-2.1 4,-2.1 1,-0.2 -2,-0.2 0.949 114.6 44.7 -63.9 -47.7 34.1 19.5 -3.0 11 11 A L H X S+ 0 0 35 -4,-2.9 4,-2.1 1,-0.2 -2,-0.2 0.848 107.4 58.5 -70.7 -31.7 37.9 19.6 -3.5 12 12 A H H X S+ 0 0 106 -4,-2.5 4,-0.5 2,-0.2 -1,-0.2 0.861 110.4 42.0 -70.5 -32.3 38.2 23.3 -2.7 13 13 A V H >X S+ 0 0 1 -4,-1.4 4,-1.7 -3,-0.2 3,-1.1 0.884 111.1 57.2 -77.4 -34.6 36.7 22.9 0.7 14 14 A W H 3X S+ 0 0 5 -4,-2.1 4,-2.2 1,-0.3 -2,-0.2 0.869 96.8 63.7 -62.2 -32.8 38.7 19.7 1.3 15 15 A A H 3< S+ 0 0 47 -4,-2.1 -1,-0.3 1,-0.2 -2,-0.2 0.821 104.3 47.2 -57.4 -32.3 41.8 21.8 0.6 16 16 A K H X< S+ 0 0 93 -3,-1.1 3,-1.6 -4,-0.5 4,-0.4 0.883 106.1 55.8 -78.2 -40.8 40.9 23.8 3.8 17 17 A V H >< S+ 0 0 2 -4,-1.7 3,-1.8 1,-0.3 7,-0.3 0.900 101.8 61.1 -50.5 -42.0 40.2 20.6 5.9 18 18 A E T 3< S+ 0 0 97 -4,-2.2 3,-0.4 1,-0.3 -1,-0.3 0.574 82.8 76.6 -71.9 -8.3 43.8 19.6 4.9 19 19 A A T < S- 0 0 90 -3,-1.6 -1,-0.3 1,-0.2 -2,-0.2 0.833 126.1 -1.9 -60.4 -29.7 45.3 22.7 6.6 20 20 A D S <> S+ 0 0 78 -3,-1.8 4,-2.1 -4,-0.4 -1,-0.2 -0.443 70.7 171.5-164.1 71.7 44.6 20.7 9.9 21 21 A V H > S+ 0 0 34 -3,-0.4 4,-2.7 1,-0.2 5,-0.2 0.904 80.2 57.3 -61.5 -38.8 42.9 17.3 9.3 22 22 A A H > S+ 0 0 24 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.922 107.9 46.0 -56.7 -47.1 43.4 16.3 12.9 23 23 A G H > S+ 0 0 5 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.895 112.7 50.2 -65.2 -41.1 41.5 19.3 14.3 24 24 A H H X S+ 0 0 4 -4,-2.1 4,-2.4 -7,-0.3 -1,-0.2 0.920 109.0 52.8 -61.5 -43.3 38.7 18.9 11.7 25 25 A G H X S+ 0 0 2 -4,-2.7 4,-2.8 2,-0.2 5,-0.3 0.893 107.4 51.4 -60.0 -43.0 38.4 15.2 12.7 26 26 A Q H X S+ 0 0 45 -4,-2.1 4,-2.7 2,-0.2 5,-0.2 0.950 111.2 47.1 -59.5 -47.7 38.0 16.0 16.4 27 27 A D H X S+ 0 0 48 -4,-2.1 4,-2.5 1,-0.2 -2,-0.2 0.913 113.2 49.1 -60.9 -42.5 35.2 18.5 15.7 28 28 A I H X S+ 0 0 7 -4,-2.4 4,-2.5 2,-0.2 -2,-0.2 0.927 113.2 45.4 -66.1 -46.8 33.4 16.0 13.4 29 29 A Y H X S+ 0 0 11 -4,-2.8 4,-2.9 2,-0.2 5,-0.3 0.933 112.9 50.9 -61.3 -45.2 33.6 13.1 15.9 30 30 A I H X S+ 0 0 11 -4,-2.7 4,-2.0 -5,-0.3 5,-0.2 0.939 112.1 47.6 -58.4 -44.8 32.5 15.4 18.7 31 31 A R H X S+ 0 0 90 -4,-2.5 4,-2.5 -5,-0.2 5,-0.2 0.915 113.2 48.4 -61.0 -43.5 29.6 16.6 16.7 32 32 A L H X S+ 0 0 8 -4,-2.5 4,-2.5 1,-0.2 7,-0.2 0.942 113.7 45.3 -61.9 -49.3 28.6 13.0 15.7 33 33 A F H < S+ 0 0 6 -4,-2.9 -1,-0.2 1,-0.2 -2,-0.2 0.772 116.2 46.5 -71.4 -27.2 28.8 11.7 19.2 34 34 A K H < S+ 0 0 94 -4,-2.0 -1,-0.2 -5,-0.3 -2,-0.2 0.882 118.0 40.9 -76.6 -43.9 26.9 14.6 20.7 35 35 A S H < S+ 0 0 43 -4,-2.5 -2,-0.2 1,-0.3 -3,-0.2 0.804 134.4 18.8 -74.5 -32.3 24.1 14.6 18.0 36 36 A H >< + 0 0 30 -4,-2.5 3,-2.1 -5,-0.2 4,-0.4 -0.636 67.6 178.5-143.1 73.5 23.8 10.8 17.9 37 37 A P G >> S+ 0 0 78 0, 0.0 3,-1.2 0, 0.0 4,-0.6 0.743 74.8 72.3 -53.8 -27.4 25.3 9.2 21.0 38 38 A E G >4 S+ 0 0 63 1,-0.3 3,-1.0 2,-0.2 4,-0.4 0.809 86.9 65.1 -59.6 -28.9 24.4 5.7 19.9 39 39 A T G X4 S+ 0 0 5 -3,-2.1 3,-1.4 1,-0.3 4,-0.3 0.830 90.5 64.0 -65.2 -30.3 27.1 5.9 17.3 40 40 A L G X4 S+ 0 0 19 -3,-1.2 3,-1.9 -4,-0.4 -1,-0.3 0.821 89.1 69.4 -62.2 -29.9 29.8 6.0 20.0 41 41 A E G << S+ 0 0 138 -3,-1.0 -1,-0.3 -4,-0.6 -2,-0.2 0.706 87.4 66.0 -63.0 -20.9 28.7 2.5 21.2 42 42 A K G < S+ 0 0 74 -3,-1.4 2,-1.0 -4,-0.4 -1,-0.3 0.650 84.8 83.4 -73.2 -15.7 30.2 1.1 18.0 43 43 A F X> - 0 0 49 -3,-1.9 4,-2.3 -4,-0.3 3,-1.1 -0.768 56.5-173.1 -98.6 97.9 33.7 2.1 19.0 44 44 A D T 34 S+ 0 0 130 -2,-1.0 4,-0.2 1,-0.3 -1,-0.2 0.866 89.7 45.9 -51.1 -41.5 35.2 -0.5 21.4 45 45 A R T 34 S+ 0 0 145 1,-0.2 -1,-0.3 -3,-0.1 16,-0.1 0.652 125.2 29.0 -78.5 -16.8 38.2 1.7 22.0 46 46 A F T X4 S+ 0 0 4 -3,-1.1 3,-2.2 -6,-0.2 -2,-0.2 0.498 83.8 98.5-124.1 -8.5 36.2 4.9 22.6 47 47 A K T 3< S+ 0 0 119 -4,-2.3 -3,-0.1 1,-0.3 -2,-0.1 0.649 79.2 64.9 -66.2 -13.7 32.8 4.1 24.0 48 48 A H T 3 S+ 0 0 120 -4,-0.2 -1,-0.3 -5,-0.2 2,-0.2 0.617 72.5 113.3 -79.8 -14.6 34.0 4.9 27.5 49 49 A L < - 0 0 16 -3,-2.2 3,-0.1 1,-0.1 -3,-0.0 -0.431 43.6-176.8 -66.4 127.3 34.5 8.6 26.7 50 50 A K + 0 0 172 -2,-0.2 2,-0.3 1,-0.1 -1,-0.1 0.720 54.4 24.8 -99.3 -26.9 31.9 10.6 28.7 51 51 A T S > S- 0 0 68 1,-0.1 4,-2.3 0, 0.0 5,-0.1 -0.897 76.7-106.7-139.2 162.1 32.3 14.2 27.8 52 52 A E H > S+ 0 0 87 -2,-0.3 4,-3.2 1,-0.2 5,-0.2 0.889 119.9 58.8 -57.3 -38.9 33.5 16.5 24.9 53 53 A A H > S+ 0 0 72 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.931 107.2 45.2 -57.0 -45.3 36.6 17.3 27.1 54 54 A E H > S+ 0 0 81 2,-0.2 4,-0.7 1,-0.2 -1,-0.2 0.901 113.1 51.5 -65.2 -40.1 37.5 13.6 27.2 55 55 A M H >< S+ 0 0 9 -4,-2.3 3,-1.0 1,-0.2 -2,-0.2 0.937 110.6 47.8 -60.0 -46.8 36.9 13.3 23.5 56 56 A K H 3< S+ 0 0 91 -4,-3.2 -1,-0.2 1,-0.2 -2,-0.2 0.833 112.3 50.3 -61.7 -35.3 39.2 16.3 22.8 57 57 A A H 3< S+ 0 0 77 -4,-1.8 2,-0.8 -5,-0.2 -1,-0.2 0.529 84.2 106.4 -82.8 -10.1 41.9 14.9 25.0 58 58 A S S+ 0 0 136 -2,-0.8 4,-2.4 1,-0.2 -1,-0.2 0.888 88.2 53.3 -66.1 -37.8 45.0 11.0 21.3 60 60 A D H > S+ 0 0 69 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.891 108.1 49.6 -67.8 -37.2 43.6 7.7 19.9 61 61 A L H > S+ 0 0 2 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.916 109.8 52.3 -64.8 -41.0 40.4 9.4 18.8 62 62 A K H X S+ 0 0 83 -4,-2.1 4,-1.9 1,-0.2 -2,-0.2 0.930 110.5 47.7 -58.4 -46.9 42.4 12.2 17.1 63 63 A K H X S+ 0 0 122 -4,-2.4 4,-2.0 1,-0.2 -1,-0.2 0.884 110.3 51.8 -63.2 -38.1 44.3 9.6 15.2 64 64 A Q H X S+ 0 0 45 -4,-2.2 4,-2.7 1,-0.2 -2,-0.2 0.919 107.4 53.0 -65.2 -41.0 41.2 7.7 14.2 65 65 A G H X S+ 0 0 1 -4,-2.6 4,-2.6 1,-0.2 5,-0.2 0.895 106.9 52.4 -61.8 -37.9 39.7 11.0 12.9 66 66 A V H X S+ 0 0 44 -4,-1.9 4,-2.3 2,-0.2 5,-0.2 0.925 109.7 49.3 -63.2 -43.0 42.8 11.5 10.8 67 67 A R H X S+ 0 0 185 -4,-2.0 4,-2.5 2,-0.2 -2,-0.2 0.935 112.6 47.4 -59.6 -48.4 42.4 8.0 9.3 68 68 A V H X S+ 0 0 41 -4,-2.7 4,-2.8 1,-0.2 5,-0.2 0.949 115.0 43.4 -58.7 -52.8 38.7 8.6 8.5 69 69 A L H X S+ 0 0 4 -4,-2.6 4,-2.7 1,-0.2 -1,-0.2 0.840 114.4 50.3 -69.8 -30.3 39.2 12.0 6.8 70 70 A T H X S+ 0 0 81 -4,-2.3 4,-2.3 -5,-0.2 -1,-0.2 0.909 112.0 47.3 -72.8 -40.7 42.2 10.9 4.9 71 71 A A H X S+ 0 0 35 -4,-2.5 4,-1.7 -5,-0.2 -2,-0.2 0.932 115.5 46.1 -62.6 -44.0 40.4 7.8 3.6 72 72 A L H X S+ 0 0 12 -4,-2.8 4,-2.9 -5,-0.2 -2,-0.2 0.921 110.3 53.8 -64.9 -42.7 37.4 10.0 2.7 73 73 A G H X S+ 0 0 1 -4,-2.7 4,-2.4 1,-0.2 -1,-0.2 0.899 106.9 51.2 -57.3 -42.3 39.7 12.6 1.1 74 74 A A H X S+ 0 0 47 -4,-2.3 4,-0.7 2,-0.2 -1,-0.2 0.892 110.8 49.1 -62.9 -39.4 41.2 9.9 -1.1 75 75 A I H ><>S+ 0 0 4 -4,-1.7 3,-1.2 2,-0.2 5,-0.6 0.952 111.0 49.0 -63.0 -49.0 37.8 8.8 -2.2 76 76 A L H ><5S+ 0 0 3 -4,-2.9 3,-1.9 1,-0.3 -2,-0.2 0.879 104.8 58.9 -59.6 -38.1 36.7 12.4 -3.0 77 77 A K H 3<5S+ 0 0 109 -4,-2.4 -1,-0.3 1,-0.3 -2,-0.2 0.718 95.8 63.3 -66.7 -20.8 39.8 13.0 -5.0 78 78 A K T X<5S- 0 0 92 -3,-1.2 3,-2.1 -4,-0.7 -1,-0.3 0.561 98.8-141.9 -75.7 -10.9 38.8 10.0 -7.3 79 79 A K T < 5S- 0 0 74 -3,-1.9 -3,-0.1 -4,-0.3 -2,-0.1 0.897 74.7 -34.7 49.2 48.2 35.8 12.1 -8.3 80 80 A G T 3 + 0 0 7 -2,-1.4 4,-2.4 1,-0.2 5,-0.2 0.081 16.6 120.3-116.1 21.9 36.4 5.0 -6.2 83 83 A E H > S+ 0 0 132 1,-0.2 4,-1.3 2,-0.2 -1,-0.2 0.909 80.9 46.9 -54.8 -46.9 35.7 1.3 -6.6 84 84 A A H 4 S+ 0 0 71 1,-0.2 3,-0.2 -3,-0.2 -1,-0.2 0.905 113.7 47.8 -63.2 -42.6 39.1 0.2 -5.3 85 85 A E H > S+ 0 0 47 1,-0.2 4,-0.9 2,-0.1 -1,-0.2 0.838 109.9 53.1 -68.4 -36.4 39.0 2.5 -2.3 86 86 A L H X S+ 0 0 8 -4,-2.4 4,-3.1 1,-0.2 5,-0.3 0.786 93.4 72.6 -71.9 -26.9 35.4 1.4 -1.3 87 87 A K H X S+ 0 0 106 -4,-1.3 4,-2.4 -3,-0.2 5,-0.2 0.949 101.8 37.4 -58.2 -56.4 36.1 -2.3 -1.3 88 88 A P H > S+ 0 0 80 0, 0.0 4,-2.4 0, 0.0 5,-0.2 0.880 119.0 50.9 -65.2 -34.7 38.2 -2.6 1.9 89 89 A L H X S+ 0 0 44 -4,-0.9 4,-2.6 2,-0.2 5,-0.2 0.924 111.3 46.7 -66.8 -46.4 36.1 0.1 3.7 90 90 A A H X S+ 0 0 0 -4,-3.1 4,-2.4 1,-0.2 5,-0.3 0.912 113.2 50.0 -60.9 -42.6 32.8 -1.6 2.8 91 91 A Q H X>S+ 0 0 115 -4,-2.4 4,-2.4 -5,-0.3 5,-0.6 0.940 114.5 42.1 -65.2 -45.4 34.1 -5.0 3.9 92 92 A S H X>S+ 0 0 36 -4,-2.4 5,-2.7 1,-0.2 4,-1.7 0.936 117.8 46.1 -66.9 -42.5 35.4 -3.8 7.3 93 93 A H H <5S+ 0 0 58 -4,-2.6 6,-2.7 -5,-0.2 5,-0.4 0.834 118.1 42.6 -74.4 -28.4 32.4 -1.6 8.0 94 94 A A H <5S+ 0 0 2 -4,-2.4 -2,-0.2 -5,-0.2 -1,-0.2 0.936 130.0 21.3 -74.1 -47.4 29.9 -4.3 7.0 95 95 A T H <5S+ 0 0 83 -4,-2.4 -3,-0.2 -5,-0.3 -2,-0.2 0.831 132.3 27.9-102.1 -37.1 31.5 -7.3 8.7 96 96 A K T <> - 0 0 23 0, 0.0 4,-1.4 0, 0.0 3,-1.2 -0.279 23.3-114.1 -66.7 156.5 24.4 0.8 9.3 101 101 A I H 3> S+ 0 0 24 52,-2.4 4,-2.2 1,-0.3 3,-0.2 0.870 116.9 64.9 -55.1 -37.4 23.8 3.2 6.4 102 102 A K H 3> S+ 0 0 113 51,-0.6 4,-2.0 1,-0.2 -1,-0.3 0.850 101.5 49.0 -53.5 -38.5 21.8 5.3 8.9 103 103 A Y H <> S+ 0 0 42 -3,-1.2 4,-2.4 2,-0.2 -1,-0.2 0.830 107.0 54.2 -73.9 -31.5 25.1 5.9 10.8 104 104 A L H X S+ 0 0 18 -4,-1.4 4,-2.0 -3,-0.2 -2,-0.2 0.851 107.2 52.6 -66.7 -33.3 26.9 6.9 7.6 105 105 A E H X S+ 0 0 92 -4,-2.2 4,-2.5 2,-0.2 -2,-0.2 0.944 108.0 51.5 -62.9 -46.2 24.1 9.4 7.2 106 106 A F H X S+ 0 0 31 -4,-2.0 4,-2.1 1,-0.2 -2,-0.2 0.910 110.7 45.9 -57.3 -47.0 24.8 10.7 10.7 107 107 A I H X S+ 0 0 31 -4,-2.4 4,-2.5 1,-0.2 -1,-0.2 0.869 110.5 54.4 -68.9 -32.4 28.6 11.1 10.1 108 108 A S H X S+ 0 0 3 -4,-2.0 4,-2.6 2,-0.2 -2,-0.2 0.921 108.1 50.3 -60.8 -44.6 27.8 12.8 6.7 109 109 A E H X S+ 0 0 96 -4,-2.5 4,-2.6 1,-0.2 -2,-0.2 0.904 110.7 49.2 -57.4 -44.2 25.6 15.3 8.6 110 110 A A H X S+ 0 0 1 -4,-2.1 4,-2.5 2,-0.2 5,-0.2 0.900 110.1 50.9 -65.1 -42.3 28.4 15.9 11.1 111 111 A I H X S+ 0 0 5 -4,-2.5 4,-2.6 2,-0.2 5,-0.3 0.958 112.4 46.3 -59.0 -50.1 30.9 16.5 8.3 112 112 A I H X S+ 0 0 22 -4,-2.6 4,-2.6 1,-0.2 -2,-0.2 0.905 112.0 51.3 -59.9 -43.7 28.5 19.0 6.6 113 113 A H H X S+ 0 0 80 -4,-2.6 4,-2.2 2,-0.2 -1,-0.2 0.928 112.0 45.7 -61.3 -45.2 27.8 20.8 10.0 114 114 A V H X S+ 0 0 7 -4,-2.5 4,-3.0 2,-0.2 5,-0.3 0.919 114.0 47.9 -67.2 -41.4 31.5 21.2 10.8 115 115 A L H X S+ 0 0 0 -4,-2.6 4,-2.5 -5,-0.2 -1,-0.2 0.906 110.8 53.2 -64.3 -40.6 32.4 22.5 7.2 116 116 A H H < S+ 0 0 102 -4,-2.6 -1,-0.2 -5,-0.3 -2,-0.2 0.914 115.1 40.2 -59.8 -41.8 29.4 24.9 7.4 117 117 A S H < S+ 0 0 75 -4,-2.2 -2,-0.2 -5,-0.2 -1,-0.2 0.911 124.0 35.5 -77.5 -40.6 30.7 26.3 10.7 118 118 A R H < S+ 0 0 89 -4,-3.0 3,-0.2 1,-0.2 -2,-0.2 0.778 122.3 39.7 -80.5 -30.4 34.4 26.4 10.0 119 119 A H >X + 0 0 30 -4,-2.5 3,-1.8 -5,-0.3 4,-0.9 -0.346 51.3 145.8-127.2 53.4 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