==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=22-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXYGEN STORAGE/TRANSPORT 28-AUG-05 2AUR . COMPND 2 MOLECULE: GLOBIN I; . SOURCE 2 ORGANISM_SCIENTIFIC: SCAPHARCA INAEQUIVALVIS; . AUTHOR J.E.KNAPP,M.A.BONHAM,Q.H.GIBSON,J.C.NICHOLS,W.E.ROYER JR. . 290 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13707.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 248 85.5 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 . 10 3.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 66 22.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 165 56.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 1.7 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 2 2 0 0 0 1 1 0 0 0 2 4 0 2 0 2 0 0 0 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 2 A S >> 0 0 86 0, 0.0 4,-2.1 0, 0.0 3,-0.7 0.000 360.0 360.0 360.0 165.8 14.0 -11.7 24.2 2 3 A V H 3> + 0 0 8 141,-0.5 4,-2.1 1,-0.2 5,-0.1 0.827 360.0 56.4 -57.5 -33.7 12.0 -8.5 24.5 3 4 A Y H 3> S+ 0 0 140 2,-0.2 4,-0.8 1,-0.2 -1,-0.2 0.830 108.9 44.9 -70.0 -32.7 9.0 -10.4 25.8 4 5 A D H <4 S+ 0 0 103 -3,-0.7 4,-0.3 2,-0.2 -2,-0.2 0.832 112.6 52.0 -79.0 -32.8 11.0 -11.9 28.7 5 6 A A H >< S+ 0 0 16 -4,-2.1 3,-1.4 1,-0.2 4,-0.2 0.883 105.8 53.9 -69.3 -39.4 12.5 -8.5 29.5 6 7 A A H >< S+ 0 0 10 -4,-2.1 3,-1.4 1,-0.3 -1,-0.2 0.821 101.5 60.6 -64.3 -29.6 9.1 -6.9 29.6 7 8 A A T 3< S+ 0 0 71 -4,-0.8 -1,-0.3 1,-0.3 -2,-0.2 0.649 89.5 71.7 -71.9 -14.1 8.1 -9.5 32.1 8 9 A Q T < S+ 0 0 98 -3,-1.4 2,-1.8 -4,-0.3 -1,-0.3 0.606 70.5 98.5 -76.7 -11.9 10.8 -8.2 34.4 9 10 A L < - 0 0 16 -3,-1.4 -1,-0.1 -4,-0.2 -3,-0.0 -0.579 63.1-176.6 -79.2 84.2 8.7 -5.1 35.0 10 11 A T > - 0 0 71 -2,-1.8 4,-2.2 1,-0.0 5,-0.2 -0.080 40.4 -89.6 -74.4 178.0 7.3 -6.2 38.3 11 12 A A H > S+ 0 0 79 1,-0.2 4,-1.8 2,-0.2 5,-0.1 0.943 125.7 39.9 -55.5 -55.9 4.7 -4.4 40.5 12 13 A D H > S+ 0 0 121 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.812 111.8 57.3 -68.1 -29.8 7.2 -2.3 42.5 13 14 A V H > S+ 0 0 19 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.921 109.1 46.1 -66.0 -41.8 9.4 -1.6 39.5 14 15 A K H X S+ 0 0 52 -4,-2.2 4,-2.0 1,-0.2 -2,-0.2 0.877 111.0 52.9 -67.8 -36.3 6.5 -0.1 37.7 15 16 A K H X S+ 0 0 113 -4,-1.8 4,-2.6 1,-0.2 -2,-0.2 0.915 108.7 49.5 -65.1 -42.8 5.5 1.9 40.7 16 17 A D H X S+ 0 0 18 -4,-2.3 4,-1.8 1,-0.2 -1,-0.2 0.823 109.0 52.7 -66.6 -31.6 9.1 3.3 41.1 17 18 A L H X S+ 0 0 0 -4,-1.6 4,-2.2 2,-0.2 -1,-0.2 0.910 112.0 45.8 -69.9 -41.0 9.1 4.3 37.4 18 19 A R H X S+ 0 0 79 -4,-2.0 4,-1.9 2,-0.2 -2,-0.2 0.910 112.3 49.6 -68.2 -43.8 5.8 6.2 37.8 19 20 A D H X S+ 0 0 57 -4,-2.6 4,-0.6 1,-0.2 -1,-0.2 0.915 116.7 41.0 -62.9 -43.3 6.8 8.0 41.0 20 21 A S H >X S+ 0 0 0 -4,-1.8 4,-2.7 1,-0.2 3,-0.9 0.882 113.1 53.1 -73.4 -38.5 10.2 9.2 39.6 21 22 A W H 3X S+ 0 0 14 -4,-2.2 4,-3.3 1,-0.3 5,-0.2 0.854 95.9 68.8 -65.2 -33.3 8.8 10.1 36.1 22 23 A K H 3< S+ 0 0 162 -4,-1.9 -1,-0.3 1,-0.2 -2,-0.2 0.840 113.2 31.1 -53.5 -32.8 6.1 12.2 37.8 23 24 A V H X< S+ 0 0 66 -3,-0.9 3,-1.1 -4,-0.6 4,-0.5 0.892 124.2 43.8 -91.0 -49.3 9.0 14.5 38.8 24 25 A I H >< S+ 0 0 11 -4,-2.7 3,-1.2 1,-0.3 7,-0.3 0.922 111.3 53.8 -63.0 -46.3 11.4 14.0 35.9 25 26 A G G >< S+ 0 0 9 -4,-3.3 3,-0.5 1,-0.2 -1,-0.3 0.453 90.5 81.2 -70.4 1.0 8.7 14.1 33.2 26 27 A S G < S+ 0 0 102 -3,-1.1 2,-0.4 1,-0.3 -1,-0.2 0.847 101.1 32.2 -73.1 -37.7 7.6 17.5 34.6 27 28 A D G <>> + 0 0 79 -3,-1.2 4,-2.7 -4,-0.5 5,-0.6 -0.650 69.9 166.7-121.8 72.3 10.4 19.4 32.8 28 29 A K H <>5S+ 0 0 32 -3,-0.5 4,-1.6 -2,-0.4 5,-0.2 0.869 78.5 46.8 -54.3 -42.0 10.8 17.5 29.6 29 30 A K H >5S+ 0 0 62 3,-0.2 4,-2.0 2,-0.2 5,-0.2 0.966 116.7 42.4 -66.8 -52.4 12.9 20.2 28.0 30 31 A G H >5S+ 0 0 19 1,-0.2 4,-1.9 2,-0.2 -2,-0.2 0.952 123.0 35.4 -59.4 -56.0 15.2 20.8 31.0 31 32 A N H X5S+ 0 0 11 -4,-2.7 4,-2.4 -7,-0.3 -1,-0.2 0.826 113.5 60.2 -69.6 -32.8 15.8 17.2 32.0 32 33 A G H X< + 0 0 34 -4,-2.4 3,-2.6 -5,-0.3 4,-0.3 -0.486 62.2 168.5-136.0 66.6 30.7 9.2 26.6 44 45 A Q G > S+ 0 0 126 -3,-0.5 3,-1.7 1,-0.3 4,-0.3 0.773 72.9 73.3 -46.7 -31.8 32.3 11.5 24.0 45 46 A E G > S+ 0 0 104 1,-0.3 3,-0.7 2,-0.2 -1,-0.3 0.741 87.2 61.2 -59.1 -25.3 32.5 8.5 21.7 46 47 A T G X S+ 0 0 6 -3,-2.6 3,-1.6 -7,-0.2 4,-0.4 0.634 80.7 85.0 -77.8 -13.7 28.7 8.6 21.1 47 48 A I G X S+ 0 0 50 -3,-1.7 3,-1.4 -4,-0.3 -1,-0.2 0.789 75.0 70.3 -58.6 -29.8 28.9 12.1 19.6 48 49 A G G X S+ 0 0 40 -3,-0.7 3,-0.8 -4,-0.3 -1,-0.3 0.781 92.3 58.7 -59.8 -27.1 29.7 10.7 16.2 49 50 A Y G < S+ 0 0 108 -3,-1.6 3,-0.3 1,-0.2 -1,-0.3 0.711 103.1 53.5 -74.7 -21.2 26.2 9.3 15.9 50 51 A F G X + 0 0 42 -3,-1.4 3,-1.6 -4,-0.4 4,-0.5 -0.071 62.5 131.6-106.4 32.5 24.7 12.8 16.3 51 52 A K G X + 0 0 177 -3,-0.8 3,-1.8 1,-0.3 -1,-0.2 0.871 69.9 61.4 -49.8 -42.3 26.6 14.7 13.5 52 53 A R G 3 S+ 0 0 104 -3,-0.3 -1,-0.3 1,-0.3 -2,-0.1 0.782 92.8 64.7 -57.6 -30.6 23.3 16.2 12.2 53 54 A L G < S- 0 0 7 -3,-1.6 12,-0.4 1,-0.2 -1,-0.3 0.677 94.0-155.0 -69.1 -17.2 22.8 18.0 15.6 54 55 A G < + 0 0 49 -3,-1.8 2,-1.5 -4,-0.5 -1,-0.2 -0.571 60.8 16.1 83.0-141.6 25.9 20.1 15.0 55 56 A D > - 0 0 89 -2,-0.3 3,-1.6 1,-0.2 4,-0.2 -0.568 65.9-173.8 -74.9 92.8 27.8 21.7 17.8 56 57 A V G > S+ 0 0 19 -2,-1.5 3,-1.2 1,-0.3 -1,-0.2 0.656 72.5 73.3 -62.4 -19.5 26.4 19.6 20.7 57 58 A S G 3 S+ 0 0 94 1,-0.2 -1,-0.3 -3,-0.1 3,-0.1 0.620 78.2 76.4 -73.8 -11.5 28.3 21.7 23.3 58 59 A Q G X S- 0 0 106 -3,-1.6 3,-1.7 1,-0.2 -1,-0.2 0.658 76.8-179.4 -72.4 -15.2 25.9 24.6 22.8 59 60 A G G X + 0 0 11 -3,-1.2 3,-2.1 1,-0.3 7,-0.2 -0.251 64.6 10.9 55.8-129.2 23.3 22.7 24.8 60 61 A M G 3 S+ 0 0 87 1,-0.3 -1,-0.3 -3,-0.1 6,-0.1 0.775 126.1 62.1 -50.9 -33.1 20.0 24.5 25.2 61 62 A A G < S+ 0 0 73 -3,-1.7 2,-0.8 4,-0.1 -1,-0.3 0.706 83.1 88.5 -69.6 -22.0 21.0 27.1 22.6 62 63 A N <> - 0 0 22 -3,-2.1 4,-2.3 1,-0.2 5,-0.2 -0.713 65.3-160.4 -82.6 110.2 21.3 24.4 19.9 63 64 A D H > S+ 0 0 81 -2,-0.8 4,-2.4 1,-0.2 -1,-0.2 0.873 88.5 50.3 -57.7 -42.9 17.8 24.2 18.3 64 65 A K H > S+ 0 0 101 -11,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.933 111.9 47.1 -63.8 -45.7 18.4 20.7 16.8 65 66 A L H > S+ 0 0 0 -12,-0.4 4,-2.8 1,-0.2 -1,-0.2 0.881 112.9 50.4 -63.2 -37.2 19.7 19.3 20.1 66 67 A R H X S+ 0 0 17 -4,-2.3 4,-2.0 -7,-0.2 -1,-0.2 0.887 109.7 50.1 -68.6 -38.2 16.7 20.8 21.9 67 68 A G H X S+ 0 0 0 -4,-2.4 4,-1.8 -5,-0.2 -2,-0.2 0.904 114.3 45.1 -65.7 -40.5 14.3 19.4 19.4 68 69 A H H X S+ 0 0 27 -4,-2.3 4,-2.3 2,-0.2 -2,-0.2 0.939 110.8 52.1 -67.1 -50.5 15.8 15.9 19.8 69 70 A S H X S+ 0 0 0 -4,-2.8 4,-1.7 2,-0.2 -2,-0.2 0.893 111.0 47.2 -55.2 -45.5 16.0 16.0 23.6 70 71 A I H X S+ 0 0 1 -4,-2.0 4,-1.2 1,-0.2 3,-0.4 0.970 111.5 49.7 -62.0 -53.4 12.3 17.0 24.0 71 72 A T H X S+ 0 0 40 -4,-1.8 4,-1.0 1,-0.2 3,-0.3 0.849 106.6 57.2 -53.7 -38.6 11.1 14.3 21.6 72 73 A L H >X S+ 0 0 42 -4,-2.3 4,-1.7 1,-0.2 3,-1.0 0.927 102.7 54.3 -59.6 -44.7 13.2 11.7 23.4 73 74 A M H 3X S+ 0 0 2 -4,-1.7 4,-1.9 -3,-0.4 -1,-0.2 0.796 103.8 55.4 -60.6 -30.0 11.4 12.5 26.6 74 75 A Y H 3X S+ 0 0 11 -4,-1.2 4,-2.1 -3,-0.3 -1,-0.3 0.738 102.3 56.6 -75.8 -22.0 8.1 11.9 24.9 75 76 A A H < S+ 0 0 10 -4,-2.3 3,-1.1 1,-0.2 4,-0.4 0.932 110.7 50.4 -57.8 -48.9 6.8 3.8 27.6 80 81 A I H >< S+ 0 0 5 -4,-2.6 3,-1.4 1,-0.3 4,-0.2 0.911 108.2 52.7 -56.8 -45.6 5.5 4.9 31.0 81 82 A D H 3< S+ 0 0 64 -4,-2.5 3,-0.3 1,-0.3 -1,-0.3 0.654 108.4 52.0 -66.9 -15.7 1.9 5.2 29.7 82 83 A Q T X< S+ 0 0 21 -3,-1.1 3,-0.8 -4,-0.9 7,-0.5 0.396 75.5 102.3-101.0 2.8 2.1 1.6 28.3 83 84 A L T < S+ 0 0 4 -3,-1.4 -1,-0.2 -4,-0.4 -2,-0.1 0.776 75.5 60.9 -57.7 -26.5 3.3 -0.1 31.6 84 85 A D T 3 S+ 0 0 125 -3,-0.3 -1,-0.2 -4,-0.2 -2,-0.1 0.882 106.6 45.4 -68.7 -38.8 -0.3 -1.4 32.2 85 86 A N <> - 0 0 55 -3,-0.8 4,-2.3 1,-0.2 3,-0.3 -0.889 64.4-166.0-112.1 107.0 -0.4 -3.4 29.0 86 87 A P H > S+ 0 0 78 0, 0.0 4,-2.0 0, 0.0 -1,-0.2 0.863 89.8 58.2 -56.7 -36.8 2.7 -5.5 28.2 87 88 A D H > S+ 0 0 113 1,-0.2 4,-1.9 2,-0.2 5,-0.2 0.918 110.5 41.3 -59.7 -45.3 1.5 -6.1 24.7 88 89 A D H > S+ 0 0 6 -3,-0.3 4,-1.7 1,-0.2 -1,-0.2 0.863 110.9 56.9 -71.6 -36.1 1.3 -2.4 23.9 89 90 A L H X S+ 0 0 3 -4,-2.3 4,-1.7 -7,-0.5 -1,-0.2 0.871 108.7 49.2 -61.8 -36.4 4.6 -1.7 25.7 90 91 A V H X S+ 0 0 11 -4,-2.0 4,-2.9 2,-0.2 5,-0.3 0.949 109.4 46.9 -70.1 -50.9 6.3 -4.2 23.4 91 92 A C H X S+ 0 0 8 -4,-1.9 4,-1.3 1,-0.2 -1,-0.2 0.820 114.6 50.9 -62.5 -27.7 5.0 -3.0 20.1 92 93 A V H X S+ 0 0 0 -4,-1.7 4,-1.7 2,-0.2 -1,-0.2 0.867 111.5 46.2 -76.3 -36.5 6.0 0.5 21.2 93 94 A V H X S+ 0 0 0 -4,-1.7 4,-2.3 2,-0.2 -2,-0.2 0.897 112.6 49.0 -72.4 -41.3 9.5 -0.6 22.2 94 95 A E H X S+ 0 0 61 -4,-2.9 4,-1.8 1,-0.2 -1,-0.2 0.868 108.6 56.4 -65.7 -33.3 10.1 -2.5 19.0 95 96 A K H X S+ 0 0 39 -4,-1.3 4,-0.7 -5,-0.3 -2,-0.2 0.941 109.9 42.8 -61.7 -49.4 8.8 0.6 17.1 96 97 A V H X S+ 0 0 29 -4,-1.7 4,-0.9 1,-0.2 3,-0.3 0.874 109.9 59.1 -65.1 -37.9 11.4 2.8 18.7 97 98 A A H >X S+ 0 0 2 -4,-2.3 4,-2.5 1,-0.2 3,-0.5 0.873 90.3 73.0 -58.9 -40.8 14.1 0.1 18.3 98 99 A V H 3X S+ 0 0 33 -4,-1.8 4,-2.0 1,-0.3 3,-0.3 0.887 99.0 41.9 -41.2 -61.9 13.6 0.1 14.5 99 100 A N H 3X S+ 0 0 50 -4,-0.7 4,-0.9 -3,-0.3 -1,-0.3 0.813 114.4 52.7 -61.2 -30.9 15.3 3.4 13.7 100 101 A H H <<>S+ 0 0 50 -4,-0.9 5,-2.5 -3,-0.5 -1,-0.2 0.850 107.3 51.6 -73.3 -33.2 18.1 2.7 16.2 101 102 A I H ><5S+ 0 0 81 -4,-2.5 3,-1.5 -3,-0.3 -2,-0.2 0.892 106.8 54.8 -67.0 -38.7 18.8 -0.7 14.5 102 103 A T H 3<5S+ 0 0 106 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.761 106.5 51.0 -64.8 -26.7 19.0 1.2 11.2 103 104 A R T 3<5S- 0 0 112 -4,-0.9 -1,-0.3 -5,-0.2 -2,-0.2 0.345 117.5-116.6 -91.9 4.2 21.6 3.5 12.7 104 105 A K T < 5 + 0 0 165 -3,-1.5 2,-0.6 1,-0.2 -3,-0.2 0.882 55.1 164.2 61.3 41.7 23.5 0.4 13.8 105 106 A I < - 0 0 20 -5,-2.5 -1,-0.2 -6,-0.1 -2,-0.1 -0.816 25.2-147.7 -91.2 119.1 23.1 1.2 17.5 106 107 A S > - 0 0 53 -2,-0.6 4,-2.6 39,-0.1 5,-0.2 -0.332 24.4-108.8 -83.6 169.3 23.9 -1.9 19.6 107 108 A A H > S+ 0 0 36 1,-0.2 4,-2.3 2,-0.2 -1,-0.1 0.906 122.6 50.1 -61.7 -42.3 22.4 -3.0 22.9 108 109 A A H 4 S+ 0 0 79 1,-0.2 4,-0.3 2,-0.2 -1,-0.2 0.872 111.2 48.7 -64.0 -38.4 25.7 -2.2 24.6 109 110 A E H >4 S+ 0 0 41 1,-0.2 3,-1.2 2,-0.2 -2,-0.2 0.905 111.5 49.5 -67.7 -42.8 25.8 1.2 22.9 110 111 A F H >< S+ 0 0 43 -4,-2.6 3,-1.8 1,-0.2 -2,-0.2 0.878 99.2 66.8 -63.9 -39.7 22.2 2.0 23.9 111 112 A G G >< S+ 0 0 14 -4,-2.3 3,-1.6 1,-0.3 4,-0.3 0.581 77.4 84.5 -60.3 -9.7 22.8 1.0 27.5 112 113 A K G < S+ 0 0 54 -3,-1.2 3,-0.5 1,-0.3 -1,-0.3 0.586 73.8 74.1 -70.4 -7.9 25.1 4.0 27.9 113 114 A I G <> S+ 0 0 27 -3,-1.8 4,-2.2 1,-0.2 -1,-0.3 0.692 78.3 76.8 -77.3 -18.2 22.0 6.1 28.7 114 115 A N H <> S+ 0 0 47 -3,-1.6 4,-2.2 1,-0.2 -1,-0.2 0.863 89.4 54.3 -60.1 -38.9 21.9 4.4 32.1 115 116 A G H > S+ 0 0 35 -3,-0.5 4,-2.0 -4,-0.3 -1,-0.2 0.970 111.2 43.6 -60.6 -54.9 24.7 6.6 33.5 116 117 A P H > S+ 0 0 0 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.860 113.2 52.7 -58.8 -38.4 23.0 9.9 32.5 117 118 A I H X S+ 0 0 14 -4,-2.2 4,-2.1 1,-0.2 -2,-0.2 0.891 107.3 52.0 -66.2 -38.9 19.7 8.7 33.8 118 119 A K H X S+ 0 0 95 -4,-2.2 4,-2.2 -5,-0.2 -1,-0.2 0.915 112.0 46.5 -63.5 -42.1 21.2 7.8 37.1 119 120 A K H X S+ 0 0 107 -4,-2.0 4,-2.5 2,-0.2 5,-0.2 0.953 111.4 48.6 -65.9 -51.3 22.7 11.2 37.5 120 121 A V H < S+ 0 0 11 -4,-2.5 4,-0.4 1,-0.2 -1,-0.2 0.900 112.6 51.4 -55.3 -41.3 19.6 13.2 36.5 121 122 A L H ><>S+ 0 0 3 -4,-2.1 5,-2.1 -5,-0.2 3,-1.3 0.926 109.5 48.5 -60.8 -47.0 17.6 11.1 39.0 122 123 A A H ><5S+ 0 0 59 -4,-2.2 3,-2.2 1,-0.3 -1,-0.2 0.857 101.8 62.4 -63.2 -37.2 20.1 11.8 41.8 123 124 A S T 3<5S+ 0 0 82 -4,-2.5 -1,-0.3 1,-0.3 -2,-0.2 0.651 108.7 45.5 -64.1 -12.4 20.0 15.5 41.1 124 125 A K T < 5S- 0 0 73 -3,-1.3 -1,-0.3 -4,-0.4 -2,-0.2 0.092 126.6 -97.5-117.0 19.2 16.3 15.2 42.0 125 126 A N T < 5S+ 0 0 159 -3,-2.2 2,-0.6 1,-0.2 -3,-0.2 0.761 81.9 129.9 71.9 28.6 16.7 13.1 45.1 126 127 A F < - 0 0 30 -5,-2.1 -1,-0.2 -8,-0.1 -2,-0.2 -0.961 39.7-166.0-115.0 113.8 16.0 9.7 43.5 127 128 A G >> - 0 0 40 -2,-0.6 4,-1.9 -3,-0.1 3,-1.0 0.189 42.8 -56.6 -84.3-157.7 18.7 7.1 44.4 128 129 A D H 3> S+ 0 0 109 1,-0.3 4,-2.4 2,-0.2 5,-0.2 0.796 123.6 67.9 -52.3 -36.5 19.9 3.7 43.3 129 130 A K H 3> S+ 0 0 129 1,-0.2 4,-0.8 2,-0.2 -1,-0.3 0.901 110.0 34.7 -53.1 -44.7 16.5 2.2 43.9 130 131 A Y H <> S+ 0 0 43 -3,-1.0 4,-2.2 2,-0.2 5,-0.2 0.851 111.3 60.7 -80.7 -36.1 15.1 4.2 41.0 131 132 A A H X S+ 0 0 7 -4,-1.9 4,-1.4 1,-0.2 -2,-0.2 0.881 108.1 47.0 -58.4 -37.6 18.2 4.1 38.8 132 133 A N H X S+ 0 0 92 -4,-2.4 4,-1.6 2,-0.2 -1,-0.2 0.790 106.8 56.9 -74.4 -29.3 17.9 0.3 38.8 133 134 A A H X S+ 0 0 4 -4,-0.8 4,-1.4 -5,-0.2 -2,-0.2 0.886 110.2 45.1 -68.7 -37.9 14.1 0.5 38.0 134 135 A W H X S+ 0 0 7 -4,-2.2 4,-3.0 2,-0.2 -2,-0.2 0.820 106.7 58.6 -74.2 -31.1 15.0 2.6 34.9 135 136 A A H X S+ 0 0 28 -4,-1.4 4,-2.1 -5,-0.2 -1,-0.2 0.883 104.5 52.8 -63.9 -37.2 17.8 0.2 33.9 136 137 A K H X S+ 0 0 80 -4,-1.6 4,-1.1 2,-0.2 -1,-0.2 0.925 110.5 46.4 -62.0 -46.6 15.2 -2.5 33.8 137 138 A L H >X S+ 0 0 3 -4,-1.4 4,-1.0 1,-0.2 3,-1.0 0.940 111.4 51.1 -61.4 -48.8 13.0 -0.5 31.5 138 139 A V H 3X S+ 0 0 11 -4,-3.0 4,-2.1 1,-0.3 3,-0.4 0.856 103.0 61.1 -57.0 -36.3 16.0 0.4 29.3 139 140 A A H 3X S+ 0 0 35 -4,-2.1 4,-2.0 1,-0.2 -1,-0.3 0.830 94.2 63.1 -61.0 -33.1 16.8 -3.4 29.1 140 141 A V H << S+ 0 0 0 -4,-1.1 -1,-0.2 -3,-1.0 -2,-0.2 0.923 108.2 41.7 -58.1 -43.5 13.5 -3.9 27.5 141 142 A V H >< S+ 0 0 2 -4,-1.0 3,-1.9 -3,-0.4 4,-0.4 0.888 109.8 58.0 -70.9 -38.6 14.7 -1.8 24.6 142 143 A Q H >< S+ 0 0 50 -4,-2.1 3,-0.9 1,-0.3 -1,-0.2 0.826 99.9 59.3 -60.5 -31.0 18.1 -3.4 24.7 143 144 A A T 3< S+ 0 0 40 -4,-2.0 -141,-0.5 1,-0.2 -1,-0.3 0.547 104.4 51.2 -75.0 -7.8 16.4 -6.8 24.1 144 145 A A T < 0 0 23 -3,-1.9 -1,-0.2 -4,-0.2 -2,-0.2 0.426 360.0 360.0-108.1 -2.4 14.9 -5.5 20.9 145 146 A L < 0 0 65 -3,-0.9 -39,-0.1 -4,-0.4 -47,-0.1 -0.463 360.0 360.0 -92.7 360.0 18.2 -4.2 19.3 146 !* 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 0.0 147 2 B S > 0 0 102 0, 0.0 4,-1.9 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0 -53.8 9.0 29.4 6.6 148 3 B V H > + 0 0 11 1,-0.2 4,-2.0 2,-0.2 5,-0.1 0.893 360.0 52.9 -66.9 -38.0 8.1 27.1 9.5 149 4 B Y H > S+ 0 0 107 1,-0.2 4,-1.1 2,-0.2 -1,-0.2 0.868 107.5 50.8 -63.7 -38.3 8.1 30.2 11.7 150 5 B D H 4 S+ 0 0 115 2,-0.2 4,-0.4 1,-0.2 3,-0.2 0.886 109.1 50.2 -68.2 -38.8 5.7 31.9 9.4 151 6 B A H >< S+ 0 0 20 -4,-1.9 3,-1.5 1,-0.2 4,-0.3 0.876 106.1 57.0 -66.3 -35.6 3.3 29.0 9.4 152 7 B A H >< S+ 0 0 11 -4,-2.0 3,-2.1 1,-0.3 -1,-0.2 0.824 93.1 69.3 -64.0 -29.3 3.5 29.0 13.2 153 8 B A T 3< S+ 0 0 70 -4,-1.1 -1,-0.3 1,-0.3 -2,-0.2 0.720 88.7 64.7 -61.2 -20.9 2.2 32.6 13.0 154 9 B Q T < S+ 0 0 110 -3,-1.5 2,-1.9 -4,-0.4 -1,-0.3 0.637 76.5 93.8 -77.1 -14.6 -1.1 31.2 11.8 155 10 B L < - 0 0 14 -3,-2.1 -1,-0.2 -4,-0.3 -3,-0.0 -0.557 65.4-179.5 -81.6 80.1 -1.5 29.5 15.2 156 11 B T > - 0 0 68 -2,-1.9 4,-2.8 1,-0.1 5,-0.2 -0.119 44.0 -93.8 -74.1 174.2 -3.5 32.2 16.8 157 12 B A H > S+ 0 0 77 1,-0.2 4,-1.5 2,-0.2 5,-0.1 0.845 127.0 45.5 -59.1 -37.4 -4.9 32.3 20.4 158 13 B D H > S+ 0 0 121 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.874 111.8 51.3 -75.7 -37.0 -8.3 30.9 19.2 159 14 B V H > S+ 0 0 16 1,-0.2 4,-1.9 2,-0.2 -2,-0.2 0.936 111.4 47.8 -63.8 -46.0 -6.7 28.2 17.1 160 15 B K H X S+ 0 0 46 -4,-2.8 4,-2.4 1,-0.2 5,-0.2 0.877 108.8 54.6 -62.7 -37.6 -4.5 27.1 20.0 161 16 B K H X S+ 0 0 115 -4,-1.5 4,-1.8 -5,-0.2 -1,-0.2 0.865 109.4 47.4 -64.1 -37.8 -7.5 27.0 22.3 162 17 B D H X S+ 0 0 15 -4,-1.8 4,-2.5 2,-0.2 5,-0.3 0.838 110.8 51.7 -73.7 -32.7 -9.4 24.7 19.9 163 18 B L H X S+ 0 0 0 -4,-1.9 4,-2.2 2,-0.2 -2,-0.2 0.939 112.6 44.5 -68.1 -46.7 -6.4 22.4 19.5 164 19 B R H X S+ 0 0 72 -4,-2.4 4,-1.1 2,-0.2 -2,-0.2 0.863 115.9 48.6 -65.0 -37.4 -5.9 22.0 23.3 165 20 B D H < S+ 0 0 52 -4,-1.8 4,-0.4 -5,-0.2 3,-0.3 0.940 115.1 41.3 -69.6 -49.3 -9.7 21.5 23.8 166 21 B S H >X S+ 0 0 0 -4,-2.5 4,-2.6 1,-0.2 3,-1.1 0.855 113.5 55.5 -67.8 -33.4 -10.2 18.9 21.1 167 22 B W H 3X S+ 0 0 15 -4,-2.2 4,-2.4 -5,-0.3 -1,-0.2 0.787 91.6 70.8 -69.4 -27.1 -6.9 17.2 22.1 168 23 B K H 3< S+ 0 0 157 -4,-1.1 -1,-0.3 -3,-0.3 -2,-0.2 0.730 114.6 28.3 -61.7 -19.4 -8.2 16.8 25.6 169 24 B V H X4 S+ 0 0 57 -3,-1.1 3,-1.5 -4,-0.4 4,-0.4 0.815 122.6 46.5-104.8 -54.8 -10.5 14.3 24.2 170 25 B I H >< S+ 0 0 10 -4,-2.6 3,-1.0 1,-0.3 7,-0.3 0.897 115.0 49.3 -57.3 -42.0 -8.8 12.9 21.1 171 26 B G T 3< S+ 0 0 5 -4,-2.4 3,-0.5 1,-0.2 -1,-0.3 0.491 91.5 78.2 -78.5 -2.4 -5.6 12.4 23.1 172 27 B S T < S+ 0 0 95 -3,-1.5 -1,-0.2 1,-0.3 2,-0.2 0.633 103.7 36.1 -79.8 -14.0 -7.3 10.7 26.0 173 28 B D <> + 0 0 78 -3,-1.0 4,-2.7 -4,-0.4 5,-0.4 -0.681 69.6 164.8-138.5 78.3 -7.3 7.5 23.9 174 29 B K H > S+ 0 0 32 -3,-0.5 4,-1.3 -2,-0.2 5,-0.2 0.834 76.8 47.6 -65.8 -37.0 -4.1 7.4 21.9 175 30 B K H > S+ 0 0 63 3,-0.2 4,-2.2 2,-0.2 5,-0.2 0.961 118.2 40.1 -70.4 -51.5 -4.3 3.8 20.9 176 31 B G H > S+ 0 0 19 1,-0.2 4,-1.9 2,-0.2 -2,-0.2 0.948 123.5 37.0 -63.3 -52.8 -8.0 3.9 19.8 177 32 B N H X S+ 0 0 5 -4,-2.7 4,-1.6 -7,-0.3 -1,-0.2 0.813 115.0 56.6 -72.2 -29.1 -7.9 7.3 18.1 178 33 B G H X S+ 0 0 1 -4,-1.3 4,-2.0 -5,-0.4 -2,-0.2 0.947 111.0 41.6 -66.6 -48.3 -4.4 6.7 16.7 179 34 B V H X S+ 0 0 9 -4,-2.2 4,-2.8 1,-0.2 5,-0.3 0.882 110.2 58.4 -66.1 -37.8 -5.4 3.5 15.0 180 35 B A H X S+ 0 0 32 -4,-1.9 4,-1.5 -5,-0.2 -1,-0.2 0.879 106.9 50.4 -58.8 -36.6 -8.6 5.0 13.8 181 36 B L H X S+ 0 0 8 -4,-1.6 4,-1.9 2,-0.2 -2,-0.2 0.953 112.2 43.9 -65.5 -52.3 -6.5 7.7 12.1 182 37 B M H X S+ 0 0 3 -4,-2.0 4,-2.3 1,-0.2 -2,-0.2 0.880 113.8 49.5 -62.4 -41.8 -4.2 5.3 10.3 183 38 B T H X S+ 0 0 52 -4,-2.8 4,-1.5 1,-0.2 -1,-0.2 0.853 111.4 50.1 -67.6 -33.8 -7.0 2.9 9.2 184 39 B T H X S+ 0 0 28 -4,-1.5 4,-2.6 -5,-0.3 5,-0.3 0.851 109.1 52.4 -71.5 -34.4 -9.0 5.9 7.9 185 40 B L H X S+ 0 0 15 -4,-1.9 4,-2.8 1,-0.2 7,-0.2 0.954 111.6 45.3 -64.3 -50.1 -5.9 7.1 6.0 186 41 B F H < S+ 0 0 15 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.790 114.9 49.7 -64.5 -29.4 -5.4 3.8 4.3 187 42 B A H < S+ 0 0 75 -4,-1.5 3,-0.5 -5,-0.2 -2,-0.2 0.942 119.1 34.2 -75.4 -49.4 -9.2 3.5 3.5 188 43 B D H < S+ 0 0 77 -4,-2.6 2,-0.2 1,-0.3 -2,-0.2 0.779 133.2 29.5 -77.6 -29.3 -9.6 7.0 2.0 189 44 B N >< + 0 0 39 -4,-2.8 3,-1.8 -5,-0.3 4,-0.3 -0.641 66.3 174.5-131.8 75.9 -6.1 7.1 0.4 190 45 B Q G > S+ 0 0 155 -3,-0.5 3,-1.5 1,-0.3 4,-0.2 0.770 74.6 68.2 -51.8 -30.4 -5.1 3.5 -0.4 191 46 B E G > S+ 0 0 94 1,-0.3 3,-1.9 2,-0.2 -1,-0.3 0.800 83.5 69.9 -63.2 -30.5 -1.9 4.7 -2.1 192 47 B T G X S+ 0 0 5 -3,-1.8 3,-1.4 1,-0.3 -1,-0.3 0.653 81.3 78.2 -63.1 -12.8 -0.3 5.9 1.1 193 48 B I G X S+ 0 0 59 -3,-1.5 3,-2.3 -4,-0.3 -1,-0.3 0.798 74.3 76.1 -65.9 -27.6 -0.0 2.2 2.1 194 49 B G G < S+ 0 0 70 -3,-1.9 3,-0.4 1,-0.3 -1,-0.3 0.650 91.5 55.7 -58.9 -13.9 3.0 2.0 -0.2 195 50 B Y G < S+ 0 0 105 -3,-1.4 -1,-0.3 1,-0.2 3,-0.3 0.580 102.9 56.1 -93.3 -12.2 5.0 3.8 2.5 196 51 B F X + 0 0 44 -3,-2.3 3,-1.8 -4,-0.2 4,-0.4 -0.055 57.1 127.4-113.6 33.7 4.1 1.3 5.2 197 52 B K G > S+ 0 0 188 -3,-0.4 3,-1.3 1,-0.3 -1,-0.2 0.807 71.1 65.4 -57.9 -29.1 5.3 -2.1 3.8 198 53 B R G 3 S+ 0 0 104 -3,-0.3 -1,-0.3 1,-0.2 -2,-0.1 0.752 92.4 62.9 -65.6 -23.1 7.2 -2.6 7.0 199 54 B L G < S- 0 0 4 -3,-1.8 12,-0.4 1,-0.2 -1,-0.2 0.634 92.0-157.0 -78.5 -13.7 4.0 -2.8 8.9 200 55 B G < + 0 0 49 -3,-1.3 2,-1.6 -4,-0.4 -1,-0.2 -0.495 62.1 18.4 77.6-141.8 2.8 -5.9 7.1 201 56 B D > + 0 0 87 -2,-0.2 3,-1.4 1,-0.2 4,-0.1 -0.498 63.8 176.9 -71.2 89.3 -0.9 -6.7 6.9 202 57 B V G > + 0 0 23 -2,-1.6 3,-1.1 1,-0.3 -1,-0.2 0.565 68.7 77.1 -70.7 -9.5 -2.4 -3.4 7.7 203 58 B S G 3 S+ 0 0 99 1,-0.2 -1,-0.3 2,-0.1 3,-0.1 0.627 80.7 70.2 -76.2 -11.5 -6.0 -4.7 7.2 204 59 B Q G X S+ 0 0 106 -3,-1.4 3,-1.6 1,-0.2 -1,-0.2 0.649 82.3 179.8 -76.5 -15.8 -5.7 -6.4 10.6 205 60 B G G X + 0 0 11 -3,-1.1 3,-2.9 1,-0.3 7,-0.3 -0.218 63.0 12.1 55.1-132.6 -5.9 -2.9 12.1 206 61 B M G 3 S+ 0 0 82 1,-0.3 -1,-0.3 -3,-0.1 6,-0.1 0.768 125.9 61.6 -45.0 -35.0 -5.7 -2.8 15.9 207 62 B A G < S+ 0 0 73 -3,-1.6 2,-0.9 4,-0.1 -1,-0.3 0.641 82.0 93.1 -71.4 -15.1 -4.7 -6.5 16.0 208 63 B N <> - 0 0 12 -3,-2.9 4,-3.5 1,-0.2 5,-0.3 -0.720 64.9-158.2 -85.1 105.8 -1.5 -5.7 14.0 209 64 B D H > S+ 0 0 89 -2,-0.9 4,-3.0 1,-0.2 5,-0.2 0.866 91.3 48.1 -50.0 -46.6 1.2 -5.1 16.6 210 65 B K H > S+ 0 0 88 -11,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.926 115.6 44.4 -63.4 -45.0 3.4 -3.1 14.2 211 66 B L H > S+ 0 0 0 -12,-0.4 4,-2.7 2,-0.2 -2,-0.2 0.929 115.3 47.8 -65.3 -45.1 0.5 -0.9 13.1 212 67 B R H X S+ 0 0 18 -4,-3.5 4,-2.0 -7,-0.3 5,-0.2 0.920 111.9 50.9 -61.8 -42.8 -0.7 -0.5 16.7 213 68 B G H X S+ 0 0 0 -4,-3.0 4,-1.4 -5,-0.3 -1,-0.2 0.871 112.2 46.9 -62.3 -37.9 2.8 0.4 17.8 214 69 B H H X S+ 0 0 27 -4,-2.1 4,-1.9 2,-0.2 -2,-0.2 0.911 110.3 51.5 -70.1 -44.6 3.1 3.0 15.0 215 70 B S H X S+ 0 0 0 -4,-2.7 4,-1.5 1,-0.2 -2,-0.2 0.881 109.8 48.6 -61.7 -41.4 -0.3 4.6 15.7 216 71 B I H X S+ 0 0 1 -4,-2.0 4,-1.0 1,-0.2 -1,-0.2 0.902 111.1 50.7 -66.4 -40.6 0.4 5.1 19.4 217 72 B T H X S+ 0 0 40 -4,-1.4 4,-0.5 -5,-0.2 -1,-0.2 0.843 105.9 56.3 -66.3 -32.8 3.8 6.6 18.7 218 73 B L H >X S+ 0 0 44 -4,-1.9 4,-1.5 1,-0.2 3,-1.2 0.896 101.7 56.6 -65.9 -39.5 2.2 9.0 16.2 219 74 B M H 3X S+ 0 0 0 -4,-1.5 4,-2.1 1,-0.3 -1,-0.2 0.810 101.2 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