==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=22-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXYGEN STORAGE/TRANSPORT 17-MAR-99 3VHB . COMPND 2 MOLECULE: PROTEIN (HEMOGLOBIN); . SOURCE 2 ORGANISM_SCIENTIFIC: VITREOSCILLA STERCORARIA; . AUTHOR M.BOLOGNESI,A.BOFFI,M.COLETTA,A.MOZZARELLI,A.PESCE, . 270 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14278.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 229 84.8 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 . 5 1.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 49 18.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 173 64.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 0.7 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 2 0 0 1 2 2 3 0 0 0 0 0 0 0 0 0 0 0 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 L 0 0 66 0, 0.0 2,-0.1 0, 0.0 111,-0.0 0.000 360.0 360.0 360.0 155.4 19.6 9.8 59.6 2 3 A D > - 0 0 78 1,-0.1 4,-2.9 137,-0.1 3,-0.3 -0.470 360.0-116.9 -77.5 145.5 16.6 11.0 61.7 3 4 A Q H > S+ 0 0 111 1,-0.2 4,-5.9 2,-0.2 5,-0.2 0.866 115.2 54.6 -48.3 -46.5 16.2 14.8 61.8 4 5 A Q H > S+ 0 0 134 2,-0.2 4,-4.5 3,-0.2 5,-0.3 0.917 111.2 46.6 -55.4 -42.7 16.7 15.0 65.5 5 6 A T H > S+ 0 0 5 -3,-0.3 4,-3.1 2,-0.3 -2,-0.2 0.989 116.7 42.5 -62.0 -58.7 20.0 13.2 65.0 6 7 A I H X S+ 0 0 15 -4,-2.9 4,-2.7 1,-0.2 -2,-0.2 0.925 116.2 52.3 -51.8 -46.6 20.9 15.5 62.1 7 8 A N H X S+ 0 0 76 -4,-5.9 4,-2.7 1,-0.2 -2,-0.3 0.950 111.7 43.1 -59.4 -49.4 19.5 18.3 64.3 8 9 A I H X S+ 0 0 20 -4,-4.5 4,-2.2 1,-0.2 -1,-0.2 0.872 111.8 56.0 -63.1 -36.3 21.7 17.4 67.3 9 10 A I H X S+ 0 0 0 -4,-3.1 4,-1.3 -5,-0.3 3,-0.3 0.970 110.2 44.1 -59.6 -50.0 24.7 16.9 65.0 10 11 A K H < S+ 0 0 83 -4,-2.7 3,-0.3 1,-0.2 -2,-0.2 0.929 115.0 50.7 -63.3 -38.8 24.3 20.4 63.6 11 12 A A H < S+ 0 0 70 -4,-2.7 4,-0.3 -5,-0.2 -1,-0.2 0.795 114.1 40.5 -63.7 -37.8 23.8 21.8 67.1 12 13 A T H X S+ 0 0 15 -4,-2.2 4,-2.8 -3,-0.3 -1,-0.2 0.586 84.7 89.0 -95.8 -17.1 26.8 20.2 68.8 13 14 A V H X S+ 0 0 11 -4,-1.3 4,-4.6 -3,-0.3 5,-0.2 0.869 89.8 53.0 -45.4 -44.3 29.6 20.5 66.2 14 15 A P H > S+ 0 0 78 0, 0.0 4,-2.7 0, 0.0 -1,-0.2 0.928 110.2 44.6 -61.4 -48.7 30.6 23.9 67.6 15 16 A V H > S+ 0 0 52 -4,-0.3 4,-0.9 2,-0.2 -2,-0.2 0.927 117.9 48.1 -59.3 -45.7 30.9 22.7 71.2 16 17 A L H >< S+ 0 0 2 -4,-2.8 3,-1.8 1,-0.2 7,-0.2 0.976 112.0 46.9 -58.2 -56.1 32.8 19.8 69.8 17 18 A K H >< S+ 0 0 142 -4,-4.6 3,-1.3 1,-0.3 4,-0.2 0.836 104.8 61.3 -56.5 -35.6 35.0 21.9 67.6 18 19 A E H 3< S+ 0 0 153 -4,-2.7 -1,-0.3 1,-0.2 -2,-0.2 0.780 111.0 41.3 -61.3 -24.0 35.6 24.2 70.6 19 20 A H T + 0 0 5 -3,-1.3 4,-4.0 2,-0.2 5,-0.4 0.873 66.3 56.2 -46.1 -57.8 39.1 19.6 69.5 21 22 A V H > S+ 0 0 116 1,-0.2 4,-3.5 -4,-0.2 -1,-0.2 0.921 114.9 39.0 -46.4 -51.8 42.7 19.6 71.0 22 23 A T H > S+ 0 0 70 2,-0.2 4,-4.4 1,-0.2 5,-0.5 0.937 116.7 49.2 -64.7 -54.0 41.6 17.6 74.0 23 24 A I H X S+ 0 0 5 -4,-2.4 4,-3.3 1,-0.2 -1,-0.2 0.934 117.3 43.1 -49.6 -53.0 39.3 15.4 72.1 24 25 A T H X S+ 0 0 9 -4,-4.0 4,-2.4 2,-0.2 -1,-0.2 0.918 116.9 47.6 -59.2 -50.1 42.0 14.8 69.6 25 26 A T H X S+ 0 0 80 -4,-3.5 4,-1.6 -5,-0.4 5,-0.2 0.961 116.9 40.1 -62.6 -47.5 44.6 14.4 72.3 26 27 A T H X S+ 0 0 25 -4,-4.4 4,-2.0 1,-0.2 5,-0.3 0.902 112.0 61.5 -65.8 -39.2 42.6 12.0 74.4 27 28 A F H X S+ 0 0 3 -4,-3.3 4,-1.9 -5,-0.5 -2,-0.2 0.937 106.7 42.3 -54.3 -47.2 41.5 10.4 71.1 28 29 A Y H X S+ 0 0 23 -4,-2.4 4,-2.3 2,-0.2 5,-0.3 0.822 111.0 52.8 -69.9 -34.7 45.1 9.3 70.1 29 30 A K H X S+ 0 0 161 -4,-1.6 4,-2.5 1,-0.2 -1,-0.2 0.919 116.0 42.5 -66.0 -44.4 46.3 8.2 73.5 30 31 A N H X S+ 0 0 25 -4,-2.0 4,-2.2 -5,-0.2 -2,-0.2 0.833 111.5 53.1 -72.9 -36.0 43.3 5.9 73.8 31 32 A L H X S+ 0 0 2 -4,-1.9 4,-1.4 -5,-0.3 -2,-0.2 0.991 118.5 35.7 -64.0 -57.8 43.4 4.7 70.2 32 33 A F H < S+ 0 0 51 -4,-2.3 -2,-0.2 2,-0.2 7,-0.2 0.841 117.8 53.2 -61.5 -40.8 47.1 3.6 70.5 33 34 A A H < S+ 0 0 53 -4,-2.5 -3,-0.2 -5,-0.3 -1,-0.2 0.981 118.9 31.4 -59.4 -63.5 46.8 2.5 74.1 34 35 A K H < S+ 0 0 119 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.549 123.7 44.8 -77.0 -7.8 43.8 0.2 73.6 35 36 A H >X + 0 0 25 -4,-1.4 3,-1.9 -5,-0.2 4,-0.6 -0.419 56.1 164.7-139.7 60.3 44.5 -1.0 70.1 36 37 A P G >4 + 0 0 65 0, 0.0 3,-0.9 0, 0.0 -1,-0.1 0.723 69.9 71.3 -42.3 -34.5 48.2 -1.8 69.7 37 38 A E G 34 S+ 0 0 114 1,-0.3 4,-0.2 2,-0.2 -5,-0.1 0.740 100.3 46.1 -63.1 -22.2 47.5 -3.7 66.4 38 39 A V G X> S+ 0 0 4 -3,-1.9 4,-1.3 1,-0.2 3,-1.2 0.566 87.4 86.4 -93.9 -16.4 46.9 -0.5 64.5 39 40 A R G X< S+ 0 0 119 -3,-0.9 3,-0.6 -4,-0.6 -1,-0.2 0.914 86.3 57.1 -53.2 -37.5 49.9 1.3 65.9 40 41 A P G 34 S+ 0 0 93 0, 0.0 -1,-0.3 0, 0.0 -2,-0.2 0.811 96.8 61.4 -63.5 -29.2 51.8 -0.2 63.1 41 42 A L G <4 0 0 62 -3,-1.2 -2,-0.2 -4,-0.2 -3,-0.1 0.894 360.0 360.0 -67.1 -28.9 49.6 1.4 60.5 42 43 A F << 0 0 115 -4,-1.3 0, 0.0 -3,-0.6 0, 0.0 -0.416 360.0 360.0 -86.2 360.0 50.6 4.7 61.9 43 ! 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 44 53 A Q 0 0 169 0, 0.0 -16,-0.1 0, 0.0 -2,-0.0 0.000 360.0 360.0 360.0 -47.1 50.0 11.4 64.8 45 54 A P > - 0 0 68 0, 0.0 3,-1.2 0, 0.0 -3,-0.0 0.132 360.0-166.3 -33.6 98.3 47.5 12.8 62.2 46 55 A K T 3 S+ 0 0 133 1,-0.2 3,-0.4 2,-0.1 4,-0.4 0.676 73.8 65.0 -61.8 -29.6 46.0 15.8 63.9 47 56 A A T 3> + 0 0 53 1,-0.2 4,-3.0 2,-0.1 -1,-0.2 0.341 67.6 102.5 -86.8 11.7 43.0 16.5 61.7 48 57 A L H <> S+ 0 0 44 -3,-1.2 4,-2.4 2,-0.2 -1,-0.2 0.923 87.2 39.4 -55.4 -50.9 41.1 13.3 62.4 49 58 A A H > S+ 0 0 5 -3,-0.4 4,-2.5 2,-0.2 -1,-0.2 0.896 118.0 47.9 -70.4 -40.1 38.5 14.9 64.7 50 59 A M H > S+ 0 0 61 -4,-0.4 4,-3.7 2,-0.2 5,-0.2 0.893 109.1 54.8 -67.4 -44.7 38.2 18.1 62.7 51 60 A T H X S+ 0 0 53 -4,-3.0 4,-2.5 1,-0.2 5,-0.2 0.978 112.1 43.8 -55.1 -50.9 37.8 16.1 59.5 52 61 A V H X S+ 0 0 12 -4,-2.4 4,-2.5 1,-0.2 -2,-0.2 0.921 114.2 48.9 -58.4 -45.2 34.9 14.2 61.1 53 62 A L H X S+ 0 0 15 -4,-2.5 4,-1.6 1,-0.2 -1,-0.2 0.935 111.2 51.5 -60.2 -43.7 33.5 17.4 62.6 54 63 A A H X S+ 0 0 42 -4,-3.7 4,-0.5 1,-0.2 -2,-0.2 0.867 112.4 45.0 -62.0 -35.6 33.8 19.0 59.1 55 64 A A H >< S+ 0 0 3 -4,-2.5 3,-1.2 -5,-0.2 -1,-0.2 0.889 107.9 58.2 -74.9 -36.9 32.0 16.1 57.5 56 65 A A H >< S+ 0 0 0 -4,-2.5 3,-1.1 1,-0.3 -1,-0.2 0.825 101.5 57.0 -58.5 -35.0 29.4 16.1 60.2 57 66 A Q H 3< S+ 0 0 111 -4,-1.6 -1,-0.3 1,-0.3 -2,-0.2 0.688 108.5 44.0 -69.3 -27.9 28.6 19.7 59.3 58 67 A N T X< S+ 0 0 51 -3,-1.2 3,-1.4 -4,-0.5 -1,-0.3 -0.329 76.3 132.0-105.2 31.2 27.8 18.8 55.7 59 68 A I T < S+ 0 0 16 -3,-1.1 3,-0.3 1,-0.3 -1,-0.1 0.610 71.2 51.8 -67.3 -11.4 25.9 15.8 57.0 60 69 A E T 3 S+ 0 0 101 1,-0.2 -1,-0.3 -3,-0.2 -2,-0.1 0.525 121.8 30.4-100.0 -7.2 23.1 16.8 54.7 61 70 A N X + 0 0 45 -3,-1.4 3,-1.8 -6,-0.2 4,-0.4 -0.394 65.6 162.2-145.0 59.1 25.4 17.0 51.6 62 71 A L G > + 0 0 23 -3,-0.3 3,-2.0 1,-0.3 4,-0.5 0.808 69.1 73.1 -54.8 -27.6 28.1 14.5 52.2 63 72 A P G > S+ 0 0 26 0, 0.0 3,-1.9 0, 0.0 -1,-0.3 0.881 83.8 70.3 -54.4 -35.0 29.0 14.6 48.4 64 73 A A G < S+ 0 0 29 -3,-1.8 4,-0.2 1,-0.3 -2,-0.2 0.844 96.6 50.9 -51.6 -30.0 30.5 18.0 49.1 65 74 A I G X> S+ 0 0 24 -3,-2.0 4,-2.7 -4,-0.4 3,-1.3 0.605 79.5 101.9 -89.9 -5.1 33.4 16.4 51.1 66 75 A L H <> S+ 0 0 5 -3,-1.9 4,-2.8 -4,-0.5 -1,-0.2 0.750 72.3 59.6 -49.4 -37.1 34.3 13.8 48.4 67 76 A P H 3> S+ 0 0 65 0, 0.0 4,-0.5 0, 0.0 -1,-0.3 0.919 116.1 34.6 -62.7 -37.3 37.3 15.6 47.1 68 77 A A H X> S+ 0 0 55 -3,-1.3 4,-2.2 2,-0.2 3,-0.8 0.873 115.0 56.3 -79.3 -43.7 39.0 15.5 50.6 69 78 A V H 3X S+ 0 0 2 -4,-2.7 4,-2.1 1,-0.3 -3,-0.2 0.902 109.9 50.1 -54.1 -43.1 37.5 12.1 51.4 70 79 A K H 3X S+ 0 0 62 -4,-2.8 4,-0.7 -5,-0.3 -1,-0.3 0.705 106.4 50.5 -71.1 -22.9 39.2 11.1 48.2 71 80 A K H X S+ 0 0 46 -4,-2.2 4,-2.3 1,-0.2 3,-1.4 0.946 102.1 64.4 -64.5 -48.5 42.6 10.7 52.3 73 82 A A H 3X S+ 0 0 0 -4,-2.1 4,-3.3 1,-0.3 5,-0.3 0.805 97.6 54.9 -45.8 -41.1 41.4 7.3 50.8 74 83 A V H 3X S+ 0 0 69 -4,-0.7 4,-2.0 2,-0.2 -1,-0.3 0.898 110.3 46.5 -63.1 -40.6 44.6 6.9 48.9 75 84 A K H <>S+ 0 0 53 -4,-2.3 5,-2.9 1,-0.2 3,-0.6 0.910 112.9 46.5 -55.9 -49.0 44.3 4.9 53.9 77 86 A C H ><5S+ 0 0 23 -4,-3.3 3,-1.2 1,-0.3 -1,-0.2 0.894 110.3 54.7 -66.8 -36.5 44.5 2.3 51.2 78 87 A Q H 3<5S+ 0 0 161 -4,-2.0 -1,-0.3 -5,-0.3 -2,-0.2 0.731 110.1 46.4 -65.5 -27.1 48.3 2.8 51.2 79 88 A A T <<5S- 0 0 42 -4,-1.3 -1,-0.3 -3,-0.6 -2,-0.2 0.299 118.6-106.5 -95.7 2.3 48.4 2.1 54.9 80 89 A G T < 5 + 0 0 40 -3,-1.2 -3,-0.2 -4,-0.3 -2,-0.1 0.765 52.5 176.0 79.6 27.7 46.2 -1.1 54.8 81 90 A V < - 0 0 23 -5,-2.9 2,-0.3 -6,-0.1 -1,-0.2 -0.433 10.8-162.7 -68.3 136.5 43.1 0.6 56.4 82 91 A A >> - 0 0 41 -2,-0.1 3,-2.6 1,-0.1 4,-0.7 -0.922 33.3-114.1-127.3 144.4 40.2 -1.9 56.4 83 92 A A G >4 S+ 0 0 60 -2,-0.3 3,-0.7 1,-0.3 42,-0.1 0.784 116.7 63.1 -45.0 -28.5 36.5 -1.4 56.9 84 93 A A G 34 S+ 0 0 80 1,-0.3 4,-0.4 2,-0.2 -1,-0.3 0.741 92.9 60.2 -75.7 -21.2 36.9 -3.3 60.1 85 94 A H G <> S+ 0 0 45 -3,-2.6 4,-1.6 1,-0.2 3,-0.5 0.705 86.4 80.9 -73.4 -24.8 39.2 -0.6 61.6 86 95 A Y H S+ 0 0 84 0, 0.0 4,-2.5 0, 0.0 -1,-0.2 0.832 106.3 49.0 -60.4 -38.5 34.6 0.8 64.4 88 97 A I H > S+ 0 0 25 -3,-0.5 4,-2.2 -4,-0.4 5,-0.2 0.878 111.3 50.0 -73.9 -33.3 37.5 1.1 66.8 89 98 A V H X S+ 0 0 27 -4,-1.6 4,-2.8 2,-0.2 5,-0.2 0.974 113.6 47.6 -64.2 -46.2 38.3 4.6 65.5 90 99 A G H X S+ 0 0 8 -4,-2.7 4,-2.8 1,-0.2 5,-0.2 0.902 110.9 50.7 -59.3 -44.7 34.7 5.4 66.0 91 100 A Q H X S+ 0 0 110 -4,-2.5 4,-1.2 1,-0.2 -1,-0.2 0.877 113.0 44.8 -59.8 -43.8 34.6 3.9 69.5 92 101 A E H X S+ 0 0 3 -4,-2.2 4,-2.2 2,-0.2 -2,-0.2 0.882 114.0 51.6 -69.5 -37.0 37.7 5.9 70.6 93 102 A L H X S+ 0 0 5 -4,-2.8 4,-3.0 1,-0.2 5,-0.3 0.988 110.6 45.5 -63.7 -56.6 36.3 9.1 69.0 94 103 A L H X S+ 0 0 30 -4,-2.8 4,-1.9 1,-0.2 -1,-0.2 0.804 111.2 55.4 -56.3 -28.3 32.9 8.9 70.7 95 104 A G H X S+ 0 0 24 -4,-1.2 4,-2.7 -5,-0.2 -1,-0.2 0.940 109.3 44.8 -71.3 -44.5 34.7 8.1 74.0 96 105 A A H X S+ 0 0 0 -4,-2.2 4,-2.7 2,-0.2 5,-0.3 0.972 112.8 52.9 -61.5 -50.5 36.8 11.3 73.8 97 106 A I H X S+ 0 0 5 -4,-3.0 4,-2.5 1,-0.3 -1,-0.2 0.886 113.6 43.3 -48.3 -45.6 33.7 13.2 72.8 98 107 A K H X S+ 0 0 127 -4,-1.9 4,-1.4 -5,-0.3 -1,-0.3 0.880 111.6 53.1 -68.8 -43.8 31.9 11.8 75.9 99 108 A E H < S+ 0 0 118 -4,-2.7 -2,-0.2 1,-0.2 -1,-0.2 0.839 117.2 38.5 -60.5 -38.6 34.9 12.4 78.1 100 109 A V H < S+ 0 0 23 -4,-2.7 -2,-0.2 -5,-0.2 -1,-0.2 0.782 105.7 60.4 -89.5 -30.4 35.0 16.0 77.0 101 110 A L H >< S- 0 0 23 -4,-2.5 3,-0.6 -5,-0.3 2,-0.6 0.977 81.4-177.1 -55.7 -49.5 31.4 17.0 76.8 102 111 A G T 3< + 0 0 45 -4,-1.4 -1,-0.2 1,-0.2 3,-0.2 -0.855 67.9 0.2 91.0-115.3 31.1 16.1 80.5 103 112 A D T 3 S+ 0 0 165 -2,-0.6 -1,-0.2 1,-0.2 -2,-0.1 0.749 132.2 59.2 -71.5 -37.4 27.5 16.6 81.6 104 113 A A S < S+ 0 0 51 -3,-0.6 2,-5.5 1,-0.2 -1,-0.2 0.767 77.4 98.4 -67.7 -22.3 26.3 17.7 78.1 105 114 A A + 0 0 15 -7,-0.2 -1,-0.2 -3,-0.2 -3,-0.1 -0.177 65.1 172.3 -59.3 58.8 27.6 14.3 77.0 106 115 A T >> - 0 0 57 -2,-5.5 4,-2.2 1,-0.1 3,-0.6 -0.298 44.5-107.1 -73.0 162.5 24.0 13.2 77.2 107 116 A D H 3> S+ 0 0 118 1,-0.3 4,-2.3 2,-0.2 5,-0.1 0.882 118.2 45.8 -50.1 -53.0 22.8 9.8 76.0 108 117 A D H 3> S+ 0 0 113 2,-0.2 4,-1.6 1,-0.2 -1,-0.3 0.703 110.8 55.3 -72.7 -15.8 21.0 10.9 73.0 109 118 A I H <> S+ 0 0 32 -3,-0.6 4,-1.4 2,-0.2 -2,-0.2 0.907 109.6 44.7 -80.9 -40.8 23.9 13.2 72.0 110 119 A L H >X S+ 0 0 22 -4,-2.2 4,-2.3 2,-0.2 3,-0.6 0.956 111.8 54.1 -64.9 -49.6 26.4 10.4 72.0 111 120 A D H 3X S+ 0 0 88 -4,-2.3 4,-2.7 1,-0.3 -2,-0.2 0.918 107.9 49.0 -52.2 -51.0 24.0 8.2 70.1 112 121 A A H 3X S+ 0 0 1 -4,-1.6 4,-2.3 1,-0.3 -1,-0.3 0.790 111.7 48.8 -60.5 -33.8 23.5 10.8 67.4 113 122 A W H X S+ 0 0 4 -4,-2.3 4,-1.3 -5,-0.2 3,-1.3 0.937 108.8 52.1 -63.5 -46.1 30.6 9.3 57.7 121 130 A A H 3X S+ 0 0 5 -4,-5.1 4,-3.7 1,-0.2 -2,-0.2 0.903 100.7 64.1 -57.7 -39.1 32.7 6.1 57.9 122 131 A D H 3X S+ 0 0 72 -4,-2.5 4,-1.2 -5,-0.3 -1,-0.2 0.698 98.0 55.1 -58.0 -23.4 30.6 4.5 55.1 123 132 A V H < S+ 0 0 97 -4,-4.6 3,-1.3 2,-0.2 -2,-0.2 0.973 114.4 52.1 -65.3 -49.7 41.3 -1.5 46.6 133 142 A A H 3< S+ 0 0 75 -4,-4.0 -2,-0.2 -5,-0.3 -1,-0.2 0.888 111.5 47.0 -49.7 -42.2 39.1 -3.0 43.9 134 143 A Q H 3< S+ 0 0 155 -4,-3.1 2,-1.9 -5,-0.3 -1,-0.3 0.660 84.3 93.7 -78.0 -12.6 40.6 -0.8 41.3 135 144 A A << 0 0 80 -3,-1.3 -1,-0.2 -4,-1.0 -2,-0.1 -0.116 360.0 360.0 -71.3 40.2 44.1 -1.5 42.4 136 145 A V 0 0 180 -2,-1.9 -1,-0.2 -3,-0.2 -2,-0.1 0.363 360.0 360.0-155.3 360.0 44.3 -4.3 39.7 137 !* 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 0.0 138 2 B L 0 0 70 0, 0.0 2,-0.5 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 168.2 16.0 11.1 53.7 139 3 B D >> - 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