==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=5-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXYGEN STORAGE/TRANSPORT 16-JUL-01 1JL7 . COMPND 2 MOLECULE: MONOMER HEMOGLOBIN COMPONENT III; . SOURCE 2 ORGANISM_SCIENTIFIC: GLYCERA DIBRANCHIATA; . AUTHOR H.J.PARK,C.YANG,N.TREFF,J.D.SATTERLEE,C.KANG . 147 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 7308.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 114 77.6 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 . 1 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 19 12.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 90 61.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 1.4 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 1 0 0 0 0 0 0 0 0 0 2 1 1 0 0 1 0 0 1 0 0 0 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 G 0 0 68 0, 0.0 2,-0.3 0, 0.0 135,-0.0 0.000 360.0 360.0 360.0 -53.2 -7.7 -12.5 31.4 2 2 A L - 0 0 18 71,-0.2 74,-0.1 131,-0.0 2,-0.1 -0.891 360.0-118.0-112.0 148.3 -9.6 -14.1 34.2 3 3 A S > - 0 0 59 -2,-0.3 4,-2.6 1,-0.1 5,-0.2 -0.345 33.9-106.1 -72.4 164.3 -8.2 -16.0 37.1 4 4 A A H > S+ 0 0 64 1,-0.2 4,-1.9 2,-0.2 5,-0.1 0.879 123.6 53.0 -60.4 -36.0 -9.2 -19.7 37.5 5 5 A A H > S+ 0 0 65 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.934 109.8 47.2 -64.1 -45.2 -11.4 -18.7 40.5 6 6 A Q H > S+ 0 0 39 2,-0.2 4,-2.6 1,-0.2 -2,-0.2 0.924 111.6 50.1 -63.9 -43.7 -13.1 -16.0 38.4 7 7 A R H X S+ 0 0 88 -4,-2.6 4,-2.6 1,-0.2 -1,-0.2 0.866 110.5 50.8 -61.5 -36.9 -13.7 -18.4 35.4 8 8 A Q H X S+ 0 0 123 -4,-1.9 4,-2.1 -5,-0.2 -1,-0.2 0.889 110.7 48.1 -69.8 -38.4 -15.2 -21.0 37.8 9 9 A V H X S+ 0 0 36 -4,-2.1 4,-2.4 2,-0.2 5,-0.2 0.924 113.9 47.4 -66.4 -43.3 -17.6 -18.4 39.3 10 10 A V H X S+ 0 0 0 -4,-2.6 4,-1.7 1,-0.2 -2,-0.2 0.939 113.9 47.0 -63.2 -45.1 -18.6 -17.2 35.8 11 11 A A H X S+ 0 0 52 -4,-2.6 4,-0.8 2,-0.2 -1,-0.2 0.885 114.0 48.3 -62.9 -40.3 -19.1 -20.8 34.6 12 12 A S H >X S+ 0 0 64 -4,-2.1 3,-0.7 1,-0.2 4,-0.6 0.943 115.0 41.5 -66.5 -53.0 -21.1 -21.8 37.7 13 13 A T H 3X S+ 0 0 11 -4,-2.4 4,-2.2 1,-0.2 3,-0.3 0.728 100.8 73.4 -71.5 -20.8 -23.5 -18.8 37.8 14 14 A W H 3X S+ 0 0 29 -4,-1.7 4,-3.2 -5,-0.2 5,-0.3 0.889 90.3 59.3 -60.5 -36.2 -24.0 -19.0 34.0 15 15 A K H <>S+ 0 0 12 -4,-3.2 5,-2.4 -5,-0.2 3,-1.4 0.836 84.1 166.0 -62.9 -35.3 -29.1 -19.3 31.2 19 19 A G T 3<5 - 0 0 47 -4,-1.2 3,-0.2 -5,-0.3 -1,-0.2 -0.226 66.5 -40.1 55.2-134.5 -32.1 -20.7 33.0 20 20 A A T 3 5S+ 0 0 114 1,-0.1 -1,-0.2 -3,-0.1 -2,-0.1 0.352 139.2 53.3-104.3 6.6 -34.4 -22.6 30.7 21 21 A D T X 5S- 0 0 65 -3,-1.4 3,-1.8 39,-0.0 -2,-0.2 0.110 111.2-104.9-129.7 21.0 -34.2 -20.1 27.7 22 22 A N T 3 5S- 0 0 83 -4,-0.4 -3,-0.2 1,-0.3 45,-0.2 0.848 80.6 -56.8 52.6 40.1 -30.4 -19.8 27.2 23 23 A G T 3> S+ 0 0 31 -3,-1.8 4,-1.9 -6,-0.3 5,-0.1 0.877 72.0 49.0 -51.4 -45.5 -33.1 -15.0 26.3 25 25 A G H > S+ 0 0 30 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.851 109.1 52.6 -63.5 -37.9 -35.0 -13.1 29.1 26 26 A V H > S+ 0 0 2 -3,-0.5 4,-2.4 -9,-0.3 -1,-0.2 0.875 109.0 52.0 -64.3 -38.1 -31.8 -11.6 30.5 27 27 A G H X S+ 0 0 0 -4,-2.0 4,-2.2 2,-0.2 5,-0.2 0.888 108.2 49.5 -65.7 -43.2 -31.0 -10.3 27.0 28 28 A K H X S+ 0 0 114 -4,-1.9 4,-2.6 2,-0.2 5,-0.2 0.951 114.1 45.1 -61.1 -49.1 -34.4 -8.7 26.5 29 29 A E H X S+ 0 0 32 -4,-2.2 4,-2.4 2,-0.2 5,-0.3 0.903 111.3 54.6 -65.2 -38.5 -34.2 -6.9 29.9 30 30 A C H X S+ 0 0 2 -4,-2.4 4,-2.0 1,-0.2 -2,-0.2 0.952 115.8 35.6 -56.7 -55.3 -30.5 -5.8 29.3 31 31 A L H X S+ 0 0 3 -4,-2.2 4,-2.5 2,-0.2 5,-0.2 0.876 115.8 55.8 -71.2 -36.7 -31.2 -4.1 26.0 32 32 A S H X S+ 0 0 26 -4,-2.6 4,-2.1 -5,-0.2 -2,-0.2 0.947 113.3 40.2 -56.7 -54.0 -34.7 -2.8 27.0 33 33 A K H X S+ 0 0 117 -4,-2.4 4,-2.1 -5,-0.2 -1,-0.2 0.858 113.1 56.1 -66.7 -37.0 -33.3 -1.0 30.1 34 34 A F H X S+ 0 0 4 -4,-2.0 4,-1.7 -5,-0.3 -2,-0.2 0.946 111.9 41.4 -59.6 -50.6 -30.2 0.2 28.2 35 35 A I H < S+ 0 0 3 -4,-2.5 7,-0.2 2,-0.2 6,-0.2 0.864 112.8 53.8 -70.5 -33.9 -32.2 1.9 25.5 36 36 A S H < S+ 0 0 78 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.901 114.8 42.0 -63.0 -38.9 -34.8 3.4 28.0 37 37 A A H < S+ 0 0 66 -4,-2.1 -2,-0.2 1,-0.3 -1,-0.2 0.746 126.8 32.7 -77.5 -28.0 -31.9 4.9 29.9 38 38 A H >< + 0 0 60 -4,-1.7 3,-2.3 -5,-0.2 4,-0.3 -0.685 69.9 176.3-131.0 76.8 -30.0 6.0 26.8 39 39 A P G > S+ 0 0 90 0, 0.0 3,-1.3 0, 0.0 4,-0.4 0.768 76.3 65.9 -58.4 -26.2 -32.7 6.9 24.3 40 40 A E G 3 S+ 0 0 113 1,-0.2 4,-0.5 2,-0.2 3,-0.4 0.664 88.9 70.0 -70.2 -14.7 -30.1 8.1 21.7 41 41 A M G <> S+ 0 0 12 -3,-2.3 4,-1.7 -6,-0.2 3,-0.4 0.695 78.7 76.5 -74.6 -19.6 -28.9 4.5 21.5 42 42 A A H <>>S+ 0 0 10 -3,-1.3 5,-2.4 -4,-0.3 4,-1.6 0.909 94.6 50.2 -57.5 -41.0 -32.0 3.3 19.7 43 43 A A H 45S+ 0 0 71 -3,-0.4 -1,-0.2 -4,-0.4 -2,-0.2 0.792 105.0 57.3 -67.1 -30.0 -30.8 5.0 16.5 44 44 A V H 45S+ 0 0 12 -4,-0.5 51,-2.0 -3,-0.4 52,-0.3 0.908 114.3 38.2 -67.7 -43.1 -27.4 3.2 16.8 45 45 A F H <5S- 0 0 59 -4,-1.7 49,-0.3 49,-0.2 -2,-0.2 0.704 112.4-118.1 -76.3 -24.7 -29.1 -0.2 16.9 46 46 A G T <5 + 0 0 58 -4,-1.6 2,-0.3 1,-0.3 -3,-0.2 0.693 67.7 138.0 88.3 21.4 -31.7 0.7 14.3 47 47 A F < - 0 0 30 -5,-2.4 -1,-0.3 -6,-0.2 3,-0.1 -0.698 60.3-132.8 -98.6 155.5 -34.7 0.2 16.7 48 48 A S S S- 0 0 109 -2,-0.3 2,-0.3 1,-0.3 -1,-0.1 0.765 76.3 -58.5 -73.3 -27.2 -37.7 2.4 17.1 49 49 A G S > S- 0 0 20 -7,-0.1 3,-1.5 -8,-0.1 -1,-0.3 -0.963 75.5 -50.3 169.3-169.3 -37.3 2.4 20.9 50 50 A A T 3 S+ 0 0 22 -2,-0.3 -14,-0.1 1,-0.3 -15,-0.1 0.705 128.8 53.2 -64.1 -23.4 -37.1 0.1 23.9 51 51 A S T 3 S+ 0 0 119 4,-0.1 -1,-0.3 -19,-0.0 5,-0.1 0.396 75.3 127.9 -95.5 0.4 -40.3 -1.8 22.9 52 52 A D X> - 0 0 38 -3,-1.5 3,-1.8 1,-0.1 4,-0.6 -0.339 67.5-126.8 -53.7 134.3 -39.2 -2.6 19.3 53 53 A P H 3> S+ 0 0 112 0, 0.0 4,-1.5 0, 0.0 3,-0.5 0.816 108.0 68.8 -49.7 -31.9 -39.7 -6.5 18.7 54 54 A G H 3> S+ 0 0 13 1,-0.2 4,-2.8 2,-0.2 5,-0.3 0.713 86.4 66.5 -62.0 -25.4 -36.0 -6.4 17.6 55 55 A V H <> S+ 0 0 2 -3,-1.8 4,-2.6 2,-0.2 -1,-0.2 0.940 104.6 42.2 -63.6 -48.5 -34.9 -5.8 21.2 56 56 A A H X S+ 0 0 38 -4,-0.6 4,-1.6 -3,-0.5 -2,-0.2 0.895 116.1 50.4 -65.9 -36.7 -36.0 -9.2 22.4 57 57 A E H X S+ 0 0 126 -4,-1.5 4,-1.4 1,-0.2 -2,-0.2 0.945 115.9 39.5 -67.6 -48.1 -34.7 -10.9 19.2 58 58 A L H X S+ 0 0 57 -4,-2.8 4,-2.3 2,-0.2 -2,-0.2 0.875 109.5 60.9 -71.0 -36.3 -31.2 -9.3 19.5 59 59 A G H X S+ 0 0 0 -4,-2.6 4,-2.0 -5,-0.3 -1,-0.2 0.884 105.0 49.9 -57.3 -39.3 -31.1 -9.7 23.3 60 60 A A H X S+ 0 0 33 -4,-1.6 4,-2.2 2,-0.2 -1,-0.2 0.905 109.7 50.2 -66.4 -40.7 -31.4 -13.5 22.9 61 61 A K H X S+ 0 0 125 -4,-1.4 4,-2.0 2,-0.2 -2,-0.2 0.876 109.9 51.2 -66.2 -37.3 -28.6 -13.5 20.3 62 62 A V H X S+ 0 0 51 -4,-2.3 4,-1.9 2,-0.2 -2,-0.2 0.948 113.2 43.6 -62.3 -50.7 -26.3 -11.5 22.6 63 63 A L H X S+ 0 0 0 -4,-2.0 4,-2.0 2,-0.2 -2,-0.2 0.868 111.1 54.2 -67.9 -33.6 -26.8 -13.8 25.5 64 64 A A H X S+ 0 0 34 -4,-2.2 4,-1.4 1,-0.2 -1,-0.2 0.904 109.7 49.2 -64.2 -39.2 -26.5 -17.0 23.4 65 65 A Q H X S+ 0 0 53 -4,-2.0 4,-2.3 2,-0.2 -2,-0.2 0.857 107.8 52.5 -67.9 -37.1 -23.1 -15.6 22.2 66 66 A I H X S+ 0 0 11 -4,-1.9 4,-2.7 2,-0.2 -1,-0.2 0.893 105.5 56.9 -65.9 -35.5 -22.0 -14.9 25.8 67 67 A G H X S+ 0 0 12 -4,-2.0 4,-1.6 2,-0.2 -2,-0.2 0.877 108.0 46.6 -59.1 -38.9 -22.9 -18.6 26.5 68 68 A V H X S+ 0 0 52 -4,-1.4 4,-0.9 2,-0.2 -2,-0.2 0.923 111.3 51.3 -68.5 -43.8 -20.5 -19.7 23.8 69 69 A A H >< S+ 0 0 0 -4,-2.3 3,-0.8 1,-0.2 4,-0.3 0.901 107.6 53.6 -59.1 -40.8 -17.8 -17.3 25.2 70 70 A V H >< S+ 0 0 15 -4,-2.7 3,-1.2 1,-0.2 4,-0.2 0.899 104.9 54.4 -61.8 -40.2 -18.3 -18.9 28.6 71 71 A S H 3< S+ 0 0 83 -4,-1.6 -1,-0.2 1,-0.2 -2,-0.2 0.711 113.6 42.4 -68.3 -18.8 -17.8 -22.4 27.2 72 72 A H T X< S+ 0 0 35 -4,-0.9 3,-2.1 -3,-0.8 7,-0.6 0.304 79.4 110.4-106.4 7.4 -14.4 -21.2 25.7 73 73 A L T < S+ 0 0 18 -3,-1.2 -71,-0.2 -4,-0.3 -1,-0.1 0.793 71.4 60.3 -55.2 -33.4 -13.2 -19.2 28.7 74 74 A G T 3 S+ 0 0 67 -4,-0.2 2,-0.5 1,-0.2 -1,-0.3 0.590 103.9 54.0 -72.0 -15.2 -10.4 -21.7 29.6 75 75 A D S <> S- 0 0 92 -3,-2.1 4,-2.3 1,-0.2 3,-0.4 -0.855 71.1-174.9-121.3 95.3 -8.8 -21.1 26.2 76 76 A E H > S+ 0 0 104 -2,-0.5 4,-2.9 1,-0.2 5,-0.2 0.882 80.9 52.3 -58.1 -46.9 -8.3 -17.3 25.9 77 77 A G H > S+ 0 0 50 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.832 110.6 49.6 -61.4 -34.6 -7.1 -17.2 22.4 78 78 A K H > S+ 0 0 93 -3,-0.4 4,-2.1 2,-0.2 -1,-0.2 0.944 112.5 46.3 -68.9 -48.8 -10.2 -19.3 21.2 79 79 A M H X S+ 0 0 6 -4,-2.3 4,-2.1 -7,-0.6 5,-0.2 0.925 114.7 47.6 -58.9 -46.1 -12.6 -17.0 23.1 80 80 A V H X S+ 0 0 49 -4,-2.9 4,-2.4 1,-0.2 -1,-0.2 0.905 109.3 53.3 -63.5 -42.7 -10.9 -13.8 21.7 81 81 A A H X S+ 0 0 59 -4,-2.2 4,-1.7 1,-0.2 -1,-0.2 0.910 110.9 46.7 -60.1 -44.2 -10.8 -15.1 18.1 82 82 A E H X S+ 0 0 52 -4,-2.1 4,-1.7 2,-0.2 -1,-0.2 0.917 115.2 44.3 -61.1 -50.3 -14.6 -15.8 18.1 83 83 A M H X S+ 0 0 6 -4,-2.1 4,-2.2 2,-0.2 -1,-0.2 0.801 108.8 57.7 -68.0 -30.9 -15.5 -12.5 19.7 84 84 A K H X S+ 0 0 74 -4,-2.4 4,-2.2 2,-0.2 -1,-0.2 0.914 106.5 50.2 -64.4 -39.4 -13.1 -10.7 17.3 85 85 A A H X S+ 0 0 44 -4,-1.7 4,-1.6 2,-0.2 -2,-0.2 0.887 109.0 50.3 -65.6 -39.4 -15.1 -12.3 14.4 86 86 A V H X S+ 0 0 14 -4,-1.7 4,-1.2 1,-0.2 -1,-0.2 0.919 110.1 53.1 -59.9 -41.5 -18.4 -11.1 16.0 87 87 A G H < S+ 0 0 0 -4,-2.2 4,-0.4 1,-0.2 -2,-0.2 0.864 103.5 54.0 -62.1 -43.1 -16.7 -7.6 16.2 88 88 A V H >< S+ 0 0 61 -4,-2.2 3,-1.3 1,-0.2 4,-0.4 0.897 106.2 54.0 -61.2 -39.0 -15.7 -7.5 12.5 89 89 A R H >< S+ 0 0 125 -4,-1.6 3,-1.3 1,-0.2 -1,-0.2 0.836 96.9 66.3 -65.0 -30.2 -19.4 -8.2 11.6 90 90 A H G >< S+ 0 0 44 -4,-1.2 3,-1.1 1,-0.2 8,-0.3 0.633 80.3 78.7 -68.5 -12.3 -20.4 -5.2 13.8 91 91 A K G < S+ 0 0 85 -3,-1.3 -1,-0.2 -4,-0.4 -2,-0.2 0.886 102.4 38.7 -56.9 -35.4 -18.7 -2.8 11.3 92 92 A G G < S+ 0 0 49 -3,-1.3 -1,-0.2 -4,-0.4 2,-0.2 0.271 99.9 104.6-100.3 10.5 -21.8 -3.3 9.1 93 93 A Y S X S- 0 0 110 -3,-1.1 3,-2.1 -4,-0.1 5,-0.3 -0.629 79.5 -22.6 -99.3 154.9 -24.5 -3.3 11.8 94 94 A G T 3 S- 0 0 44 -49,-0.3 -49,-0.2 1,-0.3 -50,-0.1 -0.259 131.3 -12.7 57.4-128.3 -27.0 -0.6 13.0 95 95 A N T 3 S- 0 0 61 -51,-2.0 -1,-0.3 1,-0.0 -50,-0.1 0.414 93.6-122.2 -81.1 1.1 -26.1 3.0 12.0 96 96 A K S < S+ 0 0 137 -3,-2.1 -2,-0.1 -52,-0.3 -52,-0.1 0.594 93.1 94.4 63.5 20.8 -22.6 1.5 11.2 97 97 A H + 0 0 133 -53,-0.2 2,-0.4 -4,-0.2 -1,-0.1 -0.318 48.5 162.3-130.8 46.9 -21.0 3.9 13.7 98 98 A I - 0 0 34 -8,-0.3 2,-0.3 -5,-0.3 -5,-0.0 -0.572 25.0-153.8 -71.4 123.9 -20.8 1.7 16.8 99 99 A K > - 0 0 101 -2,-0.4 3,-1.5 1,-0.1 4,-0.4 -0.767 24.8-124.0-104.6 149.8 -18.3 3.2 19.1 100 100 A A G > S+ 0 0 27 -2,-0.3 3,-1.4 1,-0.3 4,-0.5 0.839 107.7 68.2 -57.0 -32.7 -16.1 1.7 21.8 101 101 A E G 3 S+ 0 0 129 1,-0.3 3,-0.4 2,-0.2 -1,-0.3 0.704 89.6 64.3 -60.3 -25.4 -17.7 4.1 24.4 102 102 A Y G <> S+ 0 0 51 -3,-1.5 4,-1.1 1,-0.2 -1,-0.3 0.700 88.2 68.3 -75.0 -21.4 -21.0 2.4 24.1 103 103 A F H <> S+ 0 0 18 -3,-1.4 4,-1.8 -4,-0.4 -1,-0.2 0.812 88.7 61.5 -74.2 -30.0 -19.9 -0.9 25.6 104 104 A E H > S+ 0 0 161 -4,-0.5 4,-1.3 -3,-0.4 3,-0.3 0.961 106.8 43.0 -66.9 -50.7 -19.3 0.2 29.1 105 105 A P H > S+ 0 0 42 0, 0.0 4,-1.8 0, 0.0 -1,-0.2 0.825 111.3 57.5 -59.2 -29.9 -23.0 1.3 29.9 106 106 A L H X S+ 0 0 32 -4,-1.1 4,-2.2 1,-0.2 -2,-0.2 0.912 102.6 54.7 -64.9 -39.6 -24.2 -1.9 28.1 107 107 A G H X S+ 0 0 6 -4,-1.8 4,-2.2 -3,-0.3 -1,-0.2 0.872 105.3 52.3 -59.7 -41.1 -22.1 -3.9 30.6 108 108 A A H X S+ 0 0 66 -4,-1.3 4,-1.8 1,-0.2 -1,-0.2 0.922 110.1 47.9 -63.4 -43.5 -23.8 -2.2 33.6 109 109 A S H X S+ 0 0 20 -4,-1.8 4,-2.2 1,-0.2 -2,-0.2 0.872 110.5 53.6 -63.8 -37.7 -27.3 -3.1 32.1 110 110 A L H X S+ 0 0 4 -4,-2.2 4,-2.3 2,-0.2 -2,-0.2 0.945 109.2 45.7 -62.8 -49.9 -26.2 -6.7 31.5 111 111 A L H X S+ 0 0 31 -4,-2.2 4,-2.2 1,-0.2 -1,-0.2 0.865 112.6 52.2 -63.7 -34.9 -25.0 -7.3 35.1 112 112 A S H X S+ 0 0 68 -4,-1.8 4,-2.3 2,-0.2 -1,-0.2 0.911 109.9 48.0 -65.6 -43.1 -28.2 -5.7 36.5 113 113 A A H X S+ 0 0 1 -4,-2.2 4,-1.6 2,-0.2 -2,-0.2 0.891 110.9 51.8 -66.3 -37.5 -30.4 -8.0 34.3 114 114 A M H X S+ 0 0 0 -4,-2.3 4,-2.6 2,-0.2 5,-0.2 0.925 110.8 47.9 -62.0 -44.1 -28.4 -11.0 35.5 115 115 A E H X S+ 0 0 74 -4,-2.2 4,-2.4 1,-0.2 -2,-0.2 0.894 106.1 57.7 -62.7 -42.1 -28.9 -10.0 39.1 116 116 A H H < S+ 0 0 137 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.870 113.5 41.1 -56.7 -37.5 -32.6 -9.5 38.5 117 117 A R H < S+ 0 0 85 -4,-1.6 -2,-0.2 1,-0.1 -1,-0.2 0.932 126.3 27.9 -77.5 -50.2 -32.8 -13.1 37.3 118 118 A I H >< S- 0 0 20 -4,-2.6 3,-1.7 1,-0.2 -2,-0.2 0.482 84.5-170.9 -99.7 1.2 -30.6 -15.0 39.9 119 119 A G G >< S+ 0 0 34 -4,-2.4 3,-1.7 1,-0.3 -1,-0.2 -0.247 70.2 13.0 58.9-122.4 -31.0 -12.7 42.9 120 120 A G G 3 S+ 0 0 73 1,-0.3 -1,-0.3 -2,-0.1 -5,-0.1 0.625 116.9 71.8 -63.8 -19.2 -28.6 -13.4 45.8 121 121 A K G < S+ 0 0 113 -3,-1.7 2,-1.7 1,-0.2 -1,-0.3 0.745 82.9 74.0 -69.6 -23.0 -26.5 -15.7 43.7 122 122 A M S < S+ 0 0 3 -3,-1.7 -1,-0.2 -7,-0.2 -3,-0.1 -0.565 77.3 155.7 -87.7 70.0 -25.2 -12.6 41.9 123 123 A N > - 0 0 84 -2,-1.7 4,-2.8 1,-0.0 5,-0.2 -0.136 61.0 -78.7 -84.9-172.6 -23.1 -11.7 45.0 124 124 A A H > S+ 0 0 82 1,-0.2 4,-2.3 2,-0.2 5,-0.1 0.882 131.3 46.3 -57.2 -44.8 -20.0 -9.5 45.2 125 125 A A H > S+ 0 0 56 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.898 113.5 49.7 -64.9 -42.8 -17.6 -12.2 43.9 126 126 A A H > S+ 0 0 1 2,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.909 111.5 49.0 -62.1 -43.1 -20.1 -13.0 41.0 127 127 A K H X S+ 0 0 74 -4,-2.8 4,-1.9 2,-0.2 -2,-0.2 0.908 112.1 48.1 -65.5 -41.1 -20.3 -9.3 40.1 128 128 A D H X S+ 0 0 100 -4,-2.3 4,-2.1 2,-0.2 -2,-0.2 0.921 113.4 47.0 -63.0 -46.3 -16.5 -8.9 40.1 129 129 A A H X S+ 0 0 0 -4,-2.4 4,-2.7 1,-0.2 -2,-0.2 0.890 114.4 46.6 -66.1 -39.9 -15.9 -12.0 37.9 130 130 A W H X S+ 0 0 2 -4,-2.3 4,-2.9 2,-0.2 -1,-0.2 0.820 109.7 53.7 -72.9 -28.7 -18.7 -11.1 35.5 131 131 A A H X S+ 0 0 50 -4,-1.9 4,-1.9 2,-0.2 -2,-0.2 0.896 112.9 45.1 -69.1 -37.8 -17.4 -7.5 35.2 132 132 A A H X S+ 0 0 27 -4,-2.1 4,-1.8 2,-0.2 -2,-0.2 0.938 114.8 47.1 -68.4 -46.1 -13.9 -9.0 34.4 133 133 A A H X S+ 0 0 0 -4,-2.7 4,-2.5 1,-0.2 -2,-0.2 0.935 112.3 49.5 -62.8 -44.8 -15.5 -11.5 31.9 134 134 A Y H X S+ 0 0 29 -4,-2.9 4,-2.7 1,-0.2 5,-0.4 0.886 107.1 56.7 -62.5 -39.5 -17.6 -8.7 30.2 135 135 A G H X S+ 0 0 37 -4,-1.9 4,-1.6 1,-0.2 -1,-0.2 0.916 113.5 39.5 -56.2 -44.3 -14.4 -6.6 30.0 136 136 A D H X S+ 0 0 49 -4,-1.8 4,-2.0 2,-0.2 -2,-0.2 0.871 116.4 48.9 -74.5 -37.9 -12.6 -9.3 28.0 137 137 A I H X S+ 0 0 9 -4,-2.5 4,-1.8 2,-0.2 -2,-0.2 0.949 119.6 37.3 -68.2 -50.5 -15.6 -10.4 25.9 138 138 A S H X S+ 0 0 13 -4,-2.7 4,-2.8 2,-0.2 -2,-0.2 0.830 113.8 58.3 -72.0 -30.6 -16.5 -6.9 24.8 139 139 A G H X S+ 0 0 34 -4,-1.6 4,-1.9 -5,-0.4 -2,-0.2 0.920 108.1 46.2 -62.1 -42.1 -12.8 -5.9 24.6 140 140 A A H X S+ 0 0 6 -4,-2.0 4,-1.6 2,-0.2 -2,-0.2 0.883 112.5 50.0 -68.4 -39.2 -12.2 -8.7 22.0 141 141 A L H X S+ 0 0 16 -4,-1.8 4,-2.5 2,-0.2 3,-0.2 0.946 109.8 51.3 -63.0 -46.9 -15.4 -7.6 20.1 142 142 A I H X S+ 0 0 28 -4,-2.8 4,-2.3 1,-0.2 -2,-0.2 0.875 105.8 55.1 -57.6 -39.2 -14.1 -4.0 20.1 143 143 A S H < S+ 0 0 48 -4,-1.9 4,-0.5 2,-0.2 -1,-0.2 0.901 110.2 46.1 -65.5 -34.8 -10.7 -5.1 18.7 144 144 A G H >< S+ 0 0 0 -4,-1.6 3,-1.0 -3,-0.2 -2,-0.2 0.929 111.3 52.8 -66.3 -44.7 -12.6 -6.8 15.8 145 145 A L H 3< S+ 0 0 19 -4,-2.5 -2,-0.2 1,-0.3 -1,-0.2 0.842 116.2 39.4 -55.7 -40.6 -14.7 -3.7 15.3 146 146 A Q T 3< 0 0 135 -4,-2.3 -1,-0.3 -5,-0.2 -2,-0.2 0.420 360.0 360.0 -94.3 1.7 -11.6 -1.5 15.1 147 147 A S < 0 0 104 -3,-1.0 -3,-0.1 -4,-0.5 -4,-0.0 -0.172 360.0 360.0 -70.1 360.0 -9.4 -3.9 13.1