==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=6-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXYGEN TRANSPORT 23-APR-82 1LH6 . COMPND 2 MOLECULE: LEGHEMOGLOBIN A (NICOTINATE MET); . SOURCE 2 ORGANISM_SCIENTIFIC: LUPINUS LUTEUS; . AUTHOR B.K.VAINSHTEIN,E.H.HARUTYUNYAN,I.P.KURANOVA,V.V.BORISOV, . 153 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8207.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 120 78.4 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 . 4 2.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 18 11.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 96 62.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 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 0 0 1 0 0 2 1 0 0 0 0 0 0 0 1 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 G 0 0 77 0, 0.0 3,-0.3 0, 0.0 6,-0.2 0.000 360.0 360.0 360.0 -37.8 37.4 49.0 31.3 2 2 A A - 0 0 82 1,-0.2 80,-0.1 5,-0.1 131,-0.0 0.086 360.0 -72.4 82.9 -35.2 35.0 49.4 28.4 3 3 A L - 0 0 11 77,-0.0 -1,-0.2 76,-0.0 79,-0.1 0.940 61.3-171.3 94.6 74.3 36.1 46.9 26.0 4 4 A T > - 0 0 58 -3,-0.3 4,-2.4 1,-0.1 5,-0.2 -0.249 45.8 -99.1 -76.8 168.9 39.5 48.3 24.5 5 5 A E H > S+ 0 0 158 1,-0.2 4,-1.6 2,-0.2 5,-0.1 0.796 130.7 57.4 -59.4 -31.2 40.8 46.5 21.6 6 6 A S H > S+ 0 0 63 2,-0.2 4,-1.1 1,-0.2 -1,-0.2 0.927 103.8 49.1 -71.5 -44.4 43.0 45.0 24.2 7 7 A Q H > S+ 0 0 0 1,-0.2 4,-2.3 2,-0.2 -2,-0.2 0.932 112.2 48.4 -54.8 -39.8 40.0 43.6 26.4 8 8 A A H X S+ 0 0 3 -4,-2.4 4,-2.7 1,-0.3 5,-0.2 0.889 103.1 59.0 -76.1 -30.3 38.2 42.0 23.4 9 9 A A H X S+ 0 0 64 -4,-1.6 4,-1.4 -5,-0.2 -1,-0.3 0.765 105.6 52.7 -61.3 -34.4 41.2 40.4 22.3 10 10 A L H X S+ 0 0 61 -4,-1.1 4,-1.8 2,-0.2 -2,-0.2 0.925 108.4 46.9 -71.4 -41.6 41.1 38.9 25.8 11 11 A V H X S+ 0 0 0 -4,-2.3 4,-3.0 1,-0.2 5,-0.2 0.953 113.4 48.8 -64.0 -39.6 37.4 37.5 25.5 12 12 A K H X S+ 0 0 85 -4,-2.7 4,-1.9 1,-0.3 -1,-0.2 0.840 108.9 51.7 -64.8 -48.5 37.9 35.9 22.1 13 13 A S H X S+ 0 0 55 -4,-1.4 4,-1.7 -5,-0.2 -1,-0.3 0.858 112.0 45.8 -55.9 -46.2 40.9 34.3 23.1 14 14 A S H X S+ 0 0 3 -4,-1.8 4,-2.5 2,-0.2 -2,-0.2 0.924 110.7 53.9 -72.8 -24.9 39.2 32.7 26.2 15 15 A W H X S+ 0 0 38 -4,-3.0 4,-2.0 1,-0.3 -1,-0.2 0.897 104.8 53.1 -72.7 -36.6 36.0 31.6 24.3 16 16 A E H X S+ 0 0 95 -4,-1.9 4,-0.6 -5,-0.2 3,-0.3 0.937 105.0 55.0 -67.4 -39.2 38.0 29.8 21.9 17 17 A E H >< S+ 0 0 62 -4,-1.7 3,-1.2 1,-0.2 -2,-0.2 0.942 106.5 51.8 -56.1 -42.5 39.6 28.1 24.8 18 18 A F H >< S+ 0 0 0 -4,-2.5 3,-1.7 1,-0.3 7,-0.3 0.916 106.9 51.4 -57.4 -39.2 36.0 26.9 26.1 19 19 A N H >< S+ 0 0 78 -4,-2.0 3,-0.6 1,-0.3 -1,-0.3 0.579 87.0 80.8 -81.2 -12.8 34.8 25.3 22.8 20 20 A A T << S+ 0 0 84 -3,-1.2 -1,-0.3 -4,-0.6 -2,-0.1 0.455 107.4 26.2 -64.4 -16.5 37.7 23.4 22.6 21 21 A N T <> + 0 0 54 -3,-1.7 4,-2.9 -4,-0.1 3,-0.3 -0.165 65.0 160.9-146.8 54.9 36.0 21.0 25.2 22 22 A I H <> S+ 0 0 40 -3,-0.6 4,-2.2 2,-0.2 5,-0.3 0.835 74.1 52.0 -46.7 -46.6 32.2 21.0 25.1 23 23 A P H > S+ 0 0 60 0, 0.0 4,-1.0 0, 0.0 -1,-0.2 0.929 121.2 40.1 -68.5 -28.6 31.2 17.6 27.0 24 24 A K H > S+ 0 0 124 -3,-0.3 4,-2.2 2,-0.2 5,-0.2 0.959 116.7 42.8 -79.2 -48.3 33.6 18.9 29.8 25 25 A H H X S+ 0 0 24 -4,-2.9 4,-1.7 -7,-0.3 -3,-0.2 0.852 118.6 48.2 -71.3 -34.5 32.9 22.4 30.1 26 26 A T H X S+ 0 0 0 -4,-2.2 4,-1.7 -5,-0.2 -1,-0.2 0.724 109.6 47.6 -73.3 -32.1 29.2 21.8 29.8 27 27 A H H X S+ 0 0 40 -4,-1.0 4,-2.0 -5,-0.3 -1,-0.2 0.915 115.6 50.0 -75.0 -36.4 28.7 19.0 32.3 28 28 A R H X S+ 0 0 81 -4,-2.2 4,-2.4 1,-0.2 5,-0.2 0.840 103.7 57.5 -68.3 -40.2 30.9 21.3 34.8 29 29 A F H X S+ 0 0 7 -4,-1.7 4,-2.1 -5,-0.2 3,-0.3 0.949 108.2 45.1 -55.9 -53.4 28.8 24.1 34.1 30 30 A F H X S+ 0 0 6 -4,-1.7 4,-2.4 1,-0.2 -2,-0.2 0.822 113.7 50.2 -60.8 -36.2 25.5 21.9 35.3 31 31 A I H X S+ 0 0 46 -4,-2.0 4,-2.0 2,-0.2 -1,-0.2 0.893 110.6 48.8 -63.3 -39.9 27.3 20.7 38.4 32 32 A L H X S+ 0 0 4 -4,-2.4 4,-1.3 -3,-0.3 -2,-0.2 0.868 113.1 51.6 -73.2 -28.8 28.4 24.4 39.3 33 33 A V H X S+ 0 0 4 -4,-2.1 4,-2.4 -5,-0.2 3,-0.3 0.957 110.4 42.0 -67.3 -49.1 24.9 25.2 38.7 34 34 A L H < S+ 0 0 35 -4,-2.4 -2,-0.2 2,-0.2 -1,-0.2 0.703 114.4 58.3 -71.5 -23.4 23.3 22.4 41.1 35 35 A E H < S+ 0 0 122 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.776 112.1 37.3 -68.3 -35.8 26.2 23.4 43.6 36 36 A I H < S+ 0 0 68 -4,-1.3 -2,-0.2 -3,-0.3 -1,-0.2 0.915 142.3 6.8 -82.2 -46.2 25.1 26.8 43.7 37 37 A A >< - 0 0 27 -4,-2.4 3,-1.9 -5,-0.1 -1,-0.2 -0.794 60.9-177.1-143.6 82.2 21.2 25.8 43.6 38 38 A P G > S+ 0 0 94 0, 0.0 3,-2.1 0, 0.0 4,-0.3 0.853 79.8 66.0 -48.1 -41.4 20.1 22.0 43.9 39 39 A A G > S+ 0 0 77 1,-0.3 3,-1.1 2,-0.1 4,-0.1 0.704 80.8 82.1 -57.0 -23.5 16.5 22.4 43.4 40 40 A A G X S+ 0 0 9 -3,-1.9 3,-1.5 1,-0.2 4,-0.4 0.506 72.1 83.8 -60.0 -11.2 17.1 23.7 39.8 41 41 A K G X S+ 0 0 42 -3,-2.1 3,-1.8 1,-0.3 6,-0.3 0.942 77.3 60.8 -60.1 -39.7 17.3 20.0 38.9 42 42 A D G < S+ 0 0 108 -3,-1.1 -1,-0.3 -4,-0.3 -2,-0.1 0.639 94.7 70.5 -60.4 -18.4 13.6 19.5 38.5 43 43 A L G < S+ 0 0 45 -3,-1.5 2,-0.5 -4,-0.1 -1,-0.3 0.604 84.6 67.1 -75.1 -25.5 13.7 22.2 35.7 44 44 A F S X> S- 0 0 61 -3,-1.8 3,-2.5 -4,-0.4 4,-1.7 -0.918 71.2-148.2-111.1 114.2 15.5 20.3 33.1 45 45 A S T 34 S+ 0 0 54 -2,-0.5 -1,-0.1 1,-0.3 -4,-0.0 0.766 102.8 51.4 -51.3 -36.9 13.5 17.1 31.4 46 46 A F T 34 S+ 0 0 13 1,-0.2 -1,-0.3 3,-0.1 14,-0.1 0.470 109.5 47.6 -87.3 -3.7 16.7 15.4 30.9 47 47 A L T X4 S+ 0 0 1 -3,-2.5 3,-1.3 -6,-0.3 -2,-0.2 0.711 93.3 96.2 -98.2 -28.6 17.8 15.9 34.5 48 48 A K T 3< S+ 0 0 117 -4,-1.7 3,-0.1 1,-0.3 -6,-0.0 -0.397 90.7 15.9 -66.7 128.2 14.3 14.7 36.0 49 49 A G T 3 S+ 0 0 87 1,-0.4 -1,-0.3 -2,-0.1 2,-0.1 0.014 107.2 108.8 90.8 -16.5 14.0 11.0 37.1 50 50 A T < - 0 0 46 -3,-1.3 -1,-0.4 1,-0.1 3,-0.1 -0.330 59.4-157.6 -78.3 167.7 17.7 11.0 37.0 51 51 A S S S+ 0 0 120 1,-0.3 2,-0.2 -3,-0.1 -1,-0.1 0.770 77.9 26.4-107.9 -38.2 19.8 10.9 40.2 52 52 A E S S- 0 0 139 1,-0.0 -1,-0.3 0, 0.0 3,-0.1 -0.785 97.7 -85.8-111.6 165.8 23.1 12.4 38.8 53 53 A V - 0 0 11 -2,-0.2 -6,-0.1 1,-0.1 2,-0.0 -0.596 47.5-123.4 -72.1 117.3 23.9 14.8 35.8 54 54 A P - 0 0 31 0, 0.0 3,-0.2 0, 0.0 -1,-0.1 -0.271 18.7-156.1 -54.9 139.6 24.2 12.6 32.8 55 55 A Q S S+ 0 0 107 1,-0.1 -28,-0.1 -3,-0.1 -29,-0.1 0.807 83.6 34.2 -96.9 -23.0 27.7 13.2 31.3 56 56 A N S S+ 0 0 127 -29,-0.0 -1,-0.1 4,-0.0 3,-0.1 -0.360 74.0 131.2-130.1 48.5 27.0 12.2 27.6 57 57 A N > - 0 0 42 -3,-0.2 4,-2.1 1,-0.2 5,-0.2 -0.913 45.0-154.0-103.0 124.5 23.5 13.2 27.0 58 58 A P H > S+ 0 0 100 0, 0.0 4,-1.8 0, 0.0 5,-0.2 0.714 95.3 58.8 -74.3 -23.0 23.5 15.1 23.6 59 59 A E H > S+ 0 0 99 2,-0.2 4,-2.2 1,-0.2 -2,-0.0 0.894 106.0 47.8 -70.0 -45.8 20.6 16.9 24.6 60 60 A L H > S+ 0 0 0 1,-0.2 4,-2.5 2,-0.2 5,-0.3 0.935 113.6 47.4 -59.9 -41.6 22.4 18.3 27.6 61 61 A Q H X S+ 0 0 42 -4,-2.1 4,-2.4 2,-0.2 5,-0.2 0.909 110.9 49.8 -65.0 -38.0 25.6 19.3 25.6 62 62 A A H X S+ 0 0 54 -4,-1.8 4,-1.5 1,-0.2 -2,-0.2 0.974 110.5 52.7 -73.6 -38.1 23.8 21.0 22.9 63 63 A H H X S+ 0 0 92 -4,-2.2 4,-1.2 -5,-0.2 -1,-0.2 0.888 111.4 40.4 -53.8 -61.6 21.9 22.8 25.4 64 64 A A H X S+ 0 0 1 -4,-2.5 4,-1.7 1,-0.2 3,-0.4 0.972 110.8 59.7 -65.7 -36.9 24.9 24.3 27.6 65 65 A G H X S+ 0 0 14 -4,-2.4 4,-2.0 1,-0.3 -1,-0.2 0.844 99.4 55.6 -49.7 -46.0 27.1 25.2 24.4 66 66 A K H X S+ 0 0 144 -4,-1.5 4,-1.5 -5,-0.2 -1,-0.3 0.863 101.7 58.4 -67.2 -36.5 24.6 27.3 23.1 67 67 A V H X S+ 0 0 59 -4,-1.2 4,-1.6 -3,-0.4 -2,-0.2 0.934 107.2 43.9 -52.7 -52.1 24.6 29.3 26.3 68 68 A F H X S+ 0 0 0 -4,-1.7 4,-2.7 1,-0.2 5,-0.2 0.902 109.3 59.3 -67.3 -29.9 28.4 30.3 26.3 69 69 A K H X S+ 0 0 87 -4,-2.0 4,-2.2 1,-0.3 -1,-0.2 0.873 100.6 54.1 -62.7 -44.6 28.2 31.2 22.6 70 70 A L H X S+ 0 0 43 -4,-1.5 4,-1.7 2,-0.2 -1,-0.3 0.881 107.4 50.0 -63.1 -34.4 25.8 33.6 23.2 71 71 A V H X S+ 0 0 4 -4,-1.6 4,-1.6 1,-0.2 -2,-0.2 0.931 112.0 47.3 -69.1 -38.2 28.0 35.4 25.9 72 72 A Y H X S+ 0 0 32 -4,-2.7 4,-1.5 2,-0.2 5,-0.3 0.917 107.7 56.3 -60.6 -47.1 31.2 35.6 23.6 73 73 A E H >X S+ 0 0 89 -4,-2.2 4,-2.1 1,-0.3 3,-0.5 0.939 104.3 52.7 -62.5 -39.3 29.2 36.9 20.8 74 74 A A H 3X S+ 0 0 5 -4,-1.7 4,-2.7 1,-0.2 -1,-0.3 0.832 102.5 57.4 -57.0 -41.8 28.0 39.7 22.9 75 75 A A H 3X S+ 0 0 0 -4,-1.6 4,-2.0 2,-0.2 -1,-0.2 0.854 109.2 45.1 -58.0 -42.8 31.7 40.9 24.1 76 76 A I H S+ 0 0 63 -4,-2.1 4,-2.4 -5,-0.3 6,-0.7 0.961 106.7 48.9 -70.4 -36.9 30.0 43.1 19.6 78 78 A L H X5S+ 0 0 17 -4,-2.7 4,-1.5 4,-0.2 -1,-0.2 0.922 112.5 48.2 -60.8 -37.0 30.5 45.5 22.5 79 79 A E H <5S+ 0 0 59 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.944 118.9 37.4 -68.0 -45.2 34.2 46.3 21.5 80 80 A V H <5S+ 0 0 96 -4,-2.8 -1,-0.2 1,-0.1 -2,-0.2 0.847 136.3 16.9 -76.3 -41.4 33.6 46.9 17.9 81 81 A T H <5S- 0 0 83 -4,-2.4 -3,-0.2 -5,-0.4 -2,-0.2 0.568 95.4-120.5-110.2 -22.3 30.4 48.6 18.0 82 82 A G S < - 0 0 77 -2,-0.6 4,-1.7 1,-0.0 3,-0.3 -0.363 49.9 -75.6-103.0-164.3 17.5 39.6 17.6 88 88 A A H > S+ 0 0 77 1,-0.3 4,-2.4 2,-0.2 5,-0.2 0.922 128.4 53.6 -61.2 -39.0 14.7 36.7 17.1 89 89 A T H > S+ 0 0 70 1,-0.2 4,-2.2 2,-0.2 -1,-0.3 0.840 103.1 54.2 -58.0 -46.6 16.6 34.3 18.9 90 90 A L H > S+ 0 0 9 -3,-0.3 4,-1.1 1,-0.2 -1,-0.2 0.833 111.8 45.8 -69.3 -32.7 17.0 36.5 21.9 91 91 A K H X S+ 0 0 99 -4,-1.7 4,-1.6 2,-0.2 -2,-0.2 0.917 107.1 53.4 -76.1 -38.3 13.3 36.9 22.2 92 92 A N H X S+ 0 0 103 -4,-2.4 4,-2.3 1,-0.2 3,-0.3 0.936 107.1 60.8 -58.6 -35.5 12.2 33.2 21.7 93 93 A L H X S+ 0 0 35 -4,-2.2 4,-2.0 1,-0.3 -1,-0.2 0.843 94.8 56.3 -62.0 -32.9 14.7 32.6 24.5 94 94 A G H X S+ 0 0 0 -4,-1.1 4,-1.5 1,-0.2 -1,-0.3 0.945 109.3 48.0 -71.9 -28.3 12.8 34.7 26.7 95 95 A S H X S+ 0 0 55 -4,-1.6 4,-2.1 -3,-0.3 -2,-0.2 0.903 108.5 50.9 -69.3 -43.1 9.5 32.4 26.1 96 96 A V H X S+ 0 0 49 -4,-2.3 4,-1.4 1,-0.2 -1,-0.2 0.939 105.6 58.7 -68.1 -32.2 11.0 29.2 26.6 97 97 A H H <>S+ 0 0 55 -4,-2.0 5,-2.5 1,-0.3 3,-0.3 0.878 106.6 46.4 -65.9 -37.8 12.4 30.5 29.9 98 98 A V H ><5S+ 0 0 44 -4,-1.5 3,-1.8 -5,-0.2 -1,-0.3 0.947 107.7 57.2 -70.1 -36.9 9.1 31.3 31.3 99 99 A S H 3<5S+ 0 0 95 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.716 105.7 54.6 -51.3 -43.9 7.4 27.6 30.2 100 100 A K T 3<5S- 0 0 106 -4,-1.4 -1,-0.3 -3,-0.3 -2,-0.2 0.338 122.4-110.0 -82.5 6.8 10.0 26.0 32.1 101 101 A G T < 5 + 0 0 55 -3,-1.8 -3,-0.2 -5,-0.2 2,-0.2 0.764 60.9 160.4 78.4 12.9 9.2 27.8 35.2 102 102 A V < - 0 0 31 -5,-2.5 2,-0.2 -6,-0.2 -1,-0.2 -0.609 16.5-168.8 -75.2 136.6 12.7 30.1 35.3 103 103 A A > - 0 0 49 -2,-0.2 3,-1.4 1,-0.0 4,-0.3 -0.739 34.1-105.3-120.0 172.3 13.1 33.4 37.3 104 104 A D G > S+ 0 0 64 1,-0.3 3,-1.4 -2,-0.2 42,-0.1 0.783 116.1 63.1 -64.6 -26.2 15.8 36.5 37.6 105 105 A A G 3 S+ 0 0 86 1,-0.3 -1,-0.3 2,-0.2 4,-0.2 0.556 93.6 64.6 -80.0 -6.6 17.2 35.2 40.9 106 106 A H G X> S+ 0 0 62 -3,-1.4 4,-1.3 1,-0.1 3,-1.1 0.697 86.4 73.2 -77.0 -38.5 18.2 32.4 38.8 107 107 A F H <> S+ 0 0 22 -3,-1.4 4,-2.7 -4,-0.3 -2,-0.2 0.831 91.8 51.1 -50.1 -41.9 20.7 34.6 36.6 108 108 A P H 3> S+ 0 0 75 0, 0.0 4,-2.3 0, 0.0 -1,-0.2 0.697 108.2 59.7 -68.8 -23.4 23.6 35.2 39.2 109 109 A V H <> S+ 0 0 22 -3,-1.1 4,-2.0 -4,-0.2 -2,-0.2 0.956 110.6 37.2 -60.3 -64.0 23.4 31.3 39.5 110 110 A V H X S+ 0 0 37 -4,-1.3 4,-2.2 2,-0.2 -1,-0.1 0.879 118.6 53.6 -63.9 -28.1 24.1 30.9 35.9 111 111 A K H X S+ 0 0 44 -4,-2.7 4,-2.9 2,-0.2 -2,-0.2 0.935 112.1 41.8 -69.0 -45.4 26.8 34.1 35.9 112 112 A E H X S+ 0 0 85 -4,-2.3 4,-2.8 2,-0.2 -1,-0.2 0.903 113.5 54.3 -71.0 -32.1 28.9 32.9 38.7 113 113 A A H X S+ 0 0 0 -4,-2.0 4,-1.6 1,-0.2 -2,-0.2 0.813 113.6 42.6 -68.0 -38.7 28.6 29.4 37.2 114 114 A I H X S+ 0 0 2 -4,-2.2 4,-2.5 2,-0.2 -2,-0.2 0.885 115.9 47.0 -79.5 -27.4 30.0 30.9 33.8 115 115 A L H X S+ 0 0 18 -4,-2.9 4,-2.5 2,-0.2 -2,-0.2 0.914 116.8 45.8 -79.5 -36.0 32.9 33.2 35.5 116 116 A K H X S+ 0 0 99 -4,-2.8 4,-1.6 2,-0.2 -1,-0.2 0.858 110.9 51.1 -70.1 -37.5 33.9 30.3 37.5 117 117 A T H X S+ 0 0 1 -4,-1.6 4,-3.1 2,-0.2 -2,-0.2 0.916 115.4 42.9 -60.2 -51.2 33.7 28.1 34.4 118 118 A I H X S+ 0 0 3 -4,-2.5 4,-3.2 2,-0.3 5,-0.3 0.911 110.7 54.6 -73.2 -26.9 36.0 30.7 32.3 119 119 A K H X S+ 0 0 110 -4,-2.5 4,-2.0 2,-0.2 -1,-0.2 0.907 114.0 43.3 -67.7 -36.6 38.4 31.2 35.3 120 120 A E H < S+ 0 0 104 -4,-1.6 -2,-0.3 1,-0.2 -1,-0.2 0.908 112.8 51.7 -73.7 -41.5 38.6 27.4 35.1 121 121 A V H < S+ 0 0 17 -4,-3.1 -2,-0.2 1,-0.2 -1,-0.2 0.878 119.6 31.9 -56.6 -48.2 38.9 27.5 31.4 122 122 A V H >< S+ 0 0 8 -4,-3.2 3,-1.2 1,-0.2 2,-0.3 0.741 79.0 178.2 -99.7 -11.1 42.0 30.3 31.2 123 123 A G G >< + 0 0 41 -4,-2.0 3,-1.6 -5,-0.3 -1,-0.2 -0.381 64.0 7.0 45.9-127.2 43.8 29.5 34.3 124 124 A A G 3 S+ 0 0 112 1,-0.3 -1,-0.2 -2,-0.3 -5,-0.0 0.483 121.1 68.8 -65.6 -13.7 47.2 31.8 34.9 125 125 A K G < S+ 0 0 126 -3,-1.2 -1,-0.3 2,-0.1 -2,-0.1 0.380 74.6 121.8 -80.8 -2.7 46.4 33.9 32.0 126 126 A W < + 0 0 84 -3,-1.6 2,-0.4 -7,-0.1 3,-0.1 -0.335 41.6 178.1 -68.5 139.4 43.7 35.1 34.0 127 127 A S > - 0 0 37 1,-0.1 4,-2.3 -2,-0.1 5,-0.1 -0.932 44.2-120.1-132.8 162.6 43.9 38.9 34.6 128 128 A E H > S+ 0 0 165 -2,-0.4 4,-2.0 1,-0.2 5,-0.2 0.844 118.8 57.4 -67.1 -45.5 41.9 41.3 36.2 129 129 A E H > S+ 0 0 84 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.829 109.4 47.2 -50.3 -42.5 41.5 43.0 32.9 130 130 A L H > S+ 0 0 6 2,-0.2 4,-2.6 1,-0.2 5,-0.3 0.930 110.8 49.0 -67.9 -41.8 39.9 39.5 31.5 131 131 A N H X S+ 0 0 51 -4,-2.3 4,-1.5 1,-0.3 -2,-0.2 0.892 112.1 51.1 -70.5 -27.2 37.5 38.9 34.3 132 132 A S H X S+ 0 0 36 -4,-2.0 4,-2.0 2,-0.2 -1,-0.3 0.809 106.6 52.2 -79.3 -35.9 36.5 42.4 33.9 133 133 A A H X S+ 0 0 0 -4,-1.7 4,-2.6 2,-0.2 -2,-0.2 0.962 114.3 40.8 -62.3 -46.6 36.0 41.9 30.2 134 134 A W H X S+ 0 0 1 -4,-2.6 4,-2.6 2,-0.2 -2,-0.2 0.840 114.6 54.9 -69.1 -25.7 33.5 38.5 30.6 135 135 A T H X S+ 0 0 30 -4,-1.5 4,-2.5 -5,-0.3 -1,-0.2 0.958 108.3 46.1 -73.5 -43.8 31.8 40.2 33.5 136 136 A I H X S+ 0 0 40 -4,-2.0 4,-2.5 1,-0.2 -2,-0.2 0.931 114.5 47.2 -60.3 -55.3 31.1 43.1 31.4 137 137 A A H X S+ 0 0 0 -4,-2.6 4,-2.6 2,-0.2 5,-0.2 0.919 114.3 46.3 -55.0 -40.7 29.8 40.9 28.4 138 138 A Y H X S+ 0 0 18 -4,-2.6 4,-2.8 2,-0.2 -1,-0.2 0.951 114.2 47.7 -70.1 -44.7 27.4 38.5 30.7 139 139 A D H X S+ 0 0 54 -4,-2.5 4,-2.1 2,-0.2 -1,-0.2 0.901 111.8 49.2 -66.2 -43.1 26.0 41.4 32.5 140 140 A E H X S+ 0 0 81 -4,-2.5 4,-1.3 -5,-0.2 -2,-0.2 0.926 116.3 43.1 -62.8 -38.8 25.3 43.2 29.2 141 141 A L H X S+ 0 0 8 -4,-2.6 4,-2.6 -5,-0.2 -2,-0.2 0.897 113.9 49.9 -71.7 -35.7 23.6 39.9 27.6 142 142 A A H X S+ 0 0 6 -4,-2.8 4,-2.8 1,-0.3 5,-0.3 0.874 102.0 61.9 -78.8 -26.8 21.5 39.0 30.7 143 143 A I H X S+ 0 0 91 -4,-2.1 4,-1.1 1,-0.2 -1,-0.3 0.937 108.2 44.2 -59.6 -40.6 20.4 42.4 30.9 144 144 A V H X S+ 0 0 10 -4,-1.3 4,-2.5 2,-0.2 -2,-0.2 0.933 114.2 45.2 -66.7 -51.4 18.9 41.7 27.4 145 145 A I H X S+ 0 0 18 -4,-2.6 4,-1.9 1,-0.3 5,-0.3 0.958 112.6 51.8 -62.9 -36.3 17.3 38.1 28.1 146 146 A K H X S+ 0 0 66 -4,-2.8 4,-1.6 1,-0.3 -1,-0.3 0.782 106.0 55.7 -63.4 -40.2 15.8 39.1 31.4 147 147 A K H X S+ 0 0 100 -4,-1.1 4,-1.6 -5,-0.3 -1,-0.3 0.905 109.8 42.7 -59.7 -51.9 14.4 41.9 29.5 148 148 A E H X S+ 0 0 28 -4,-2.5 4,-0.6 2,-0.2 -2,-0.2 0.716 111.3 56.3 -66.7 -26.8 12.6 39.4 26.9 149 149 A M H X S+ 0 0 5 -4,-1.9 4,-1.2 2,-0.3 3,-0.3 0.883 103.0 54.6 -69.5 -38.2 11.4 36.9 29.8 150 150 A D H >< S+ 0 0 98 -4,-1.6 3,-0.8 1,-0.3 -2,-0.2 0.970 111.1 44.4 -66.7 -30.2 9.7 39.6 31.4 151 151 A D H 3< S+ 0 0 131 -4,-1.6 -1,-0.3 1,-0.2 -2,-0.3 0.642 110.8 53.4 -73.1 -21.5 8.2 40.0 28.1 152 152 A A H 3< 0 0 32 -4,-0.6 -1,-0.2 -3,-0.3 -2,-0.2 0.553 360.0 360.0 -89.8 -7.3 7.4 36.1 27.5 153 153 A A << 0 0 124 -4,-1.2 -1,-0.1 -3,-0.8 -58,-0.0 -0.855 360.0 360.0 -92.1 360.0 5.6 35.8 30.9