==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=13-NOV-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 13-OCT-99 1BX3 . COMPND 2 MOLECULE: PROTEIN (GLYCOGEN PHOSPHORYLASE B); . SOURCE 2 ORGANISM_SCIENTIFIC: ORYCTOLAGUS CUNICULUS; . AUTHOR K.E.TSITSANOU,N.G.OIKONOMAKOS,S.E.ZOGRAPHOS,V.T.SKAMNAKI,M.G . 801 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 29925.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 616 76.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 59 7.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 43 5.4 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.1 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 . 2 0.2 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 . 1 0.1 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 . 58 7.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 99 12.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 316 39.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 17 2.1 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 2 2 6 2 2 2 4 2 0 0 2 0 3 0 0 0 1 0 1 0 0 1 0 0 0 1 RESIDUES PER ALPHA HELIX . 2 2 2 3 2 2 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 2 2 1 2 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 3 1 0 0 1 0 0 0 1 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 13 A I > 0 0 97 0, 0.0 3,-1.3 0, 0.0 93,-0.1 0.000 360.0 360.0 360.0 113.4 1.1 10.4 27.7 2 14 A S G > + 0 0 65 1,-0.3 3,-1.1 2,-0.2 92,-0.1 0.674 360.0 64.5 -65.2 -23.6 2.0 6.6 27.7 3 15 A V G 3 S+ 0 0 1 1,-0.2 -1,-0.3 462,-0.2 3,-0.1 0.677 91.2 70.5 -75.0 -12.9 5.7 7.1 28.2 4 16 A R G < S- 0 0 12 -3,-1.3 90,-2.1 1,-0.2 91,-0.3 0.448 104.2-127.7 -81.4 -1.8 4.9 8.6 31.6 5 17 A G < - 0 0 18 -3,-1.1 2,-0.2 88,-0.2 -1,-0.2 -0.275 33.5 -39.4 91.3-174.4 3.8 5.2 32.9 6 18 A L - 0 0 150 85,-0.4 89,-0.6 -3,-0.1 2,-0.6 -0.624 32.7-146.5 -94.7 151.8 0.9 3.6 34.7 7 19 A A - 0 0 47 -2,-0.2 85,-0.1 87,-0.2 -2,-0.0 -0.696 27.7-163.6-114.2 72.1 -1.3 5.2 37.4 8 20 A G > - 0 0 31 -2,-0.6 4,-2.4 1,-0.1 5,-0.2 -0.237 21.9-128.7 -56.6 146.8 -2.1 2.0 39.4 9 21 A V H > S+ 0 0 119 2,-0.2 4,-1.9 1,-0.2 -1,-0.1 0.937 109.5 40.5 -65.1 -46.3 -5.0 2.3 41.8 10 22 A E H > S+ 0 0 162 2,-0.2 4,-3.0 1,-0.2 5,-0.2 0.926 114.8 53.0 -66.9 -44.5 -3.0 0.9 44.8 11 23 A N H > S+ 0 0 49 1,-0.2 4,-2.3 2,-0.2 -2,-0.2 0.900 111.6 45.7 -56.2 -43.9 0.1 2.9 43.8 12 24 A V H X S+ 0 0 4 -4,-2.4 4,-2.2 2,-0.2 -1,-0.2 0.867 112.4 51.9 -68.6 -35.5 -1.9 6.1 43.7 13 25 A T H X S+ 0 0 93 -4,-1.9 4,-2.0 -5,-0.2 -2,-0.2 0.930 112.5 44.9 -66.0 -45.0 -3.5 5.2 47.0 14 26 A E H X S+ 0 0 89 -4,-3.0 4,-2.7 2,-0.2 5,-0.2 0.876 110.9 54.1 -67.3 -38.9 -0.1 4.6 48.6 15 27 A L H X S+ 0 0 4 -4,-2.3 4,-2.2 -5,-0.2 -2,-0.2 0.945 110.0 45.9 -61.3 -48.8 1.4 7.7 47.1 16 28 A K H X S+ 0 0 54 -4,-2.2 4,-2.5 2,-0.2 5,-0.2 0.899 112.0 53.3 -60.6 -40.8 -1.4 10.0 48.5 17 29 A K H X S+ 0 0 133 -4,-2.0 4,-2.4 1,-0.2 -2,-0.2 0.971 113.3 41.2 -58.3 -56.1 -1.1 8.3 51.9 18 30 A N H X S+ 0 0 21 -4,-2.7 4,-2.1 2,-0.2 -1,-0.2 0.767 110.5 58.3 -65.4 -27.1 2.7 8.9 52.1 19 31 A F H X S+ 0 0 4 -4,-2.2 4,-1.8 -5,-0.2 -1,-0.2 0.952 111.9 41.2 -66.0 -47.6 2.3 12.4 50.7 20 32 A N H X S+ 0 0 66 -4,-2.5 4,-2.0 1,-0.2 -2,-0.2 0.858 111.1 57.4 -67.2 -36.7 -0.1 13.2 53.6 21 33 A R H X S+ 0 0 92 -4,-2.4 4,-2.9 1,-0.2 5,-0.5 0.926 109.9 44.1 -60.3 -44.8 2.2 11.3 56.0 22 34 A H H X>S+ 0 0 10 -4,-2.1 5,-2.6 2,-0.2 4,-1.0 0.837 108.1 57.2 -69.6 -34.9 5.1 13.5 55.1 23 35 A L H <5S+ 0 0 6 -4,-1.8 6,-2.2 3,-0.2 -1,-0.2 0.927 118.9 34.3 -61.0 -41.3 3.1 16.7 55.2 24 36 A H H X5S+ 0 0 115 -4,-2.0 4,-0.8 4,-0.2 -2,-0.2 0.988 131.6 25.4 -75.3 -67.9 2.2 15.8 58.8 25 37 A F H <5S+ 0 0 152 -4,-2.9 -3,-0.2 -5,-0.2 -2,-0.1 0.826 131.1 33.5 -71.7 -37.1 5.3 14.0 60.2 26 38 A T T <5S+ 0 0 62 -4,-1.0 -3,-0.2 -5,-0.5 -1,-0.1 0.878 132.2 26.5 -89.1 -40.9 8.1 15.5 58.1 27 39 A L T 4> - 0 0 85 -2,-0.3 4,-1.9 -3,-0.1 3,-0.7 -0.755 38.5-103.0-121.7 169.5 -1.8 20.8 58.2 31 43 A R T 34 S+ 0 0 114 -2,-0.3 -8,-0.0 1,-0.2 -2,-0.0 0.573 116.9 69.2 -73.5 -5.3 -3.7 21.7 55.0 32 44 A N T 34 S+ 0 0 148 1,-0.1 -1,-0.2 3,-0.0 -3,-0.0 0.853 116.1 19.5 -78.4 -36.7 -4.8 24.9 56.7 33 45 A V T <4 S+ 0 0 77 -3,-0.7 -2,-0.2 2,-0.1 -1,-0.1 0.571 93.6 122.4-109.4 -11.8 -1.3 26.4 56.6 34 46 A A < - 0 0 17 -4,-1.9 -11,-0.0 4,-0.1 -3,-0.0 -0.216 44.4-158.3 -56.7 135.3 0.4 24.3 53.9 35 47 A T >> - 0 0 64 1,-0.1 4,-2.3 0, 0.0 3,-0.5 -0.638 35.9 -99.8-107.6 168.0 1.8 26.3 51.0 36 48 A P H 3> S+ 0 0 55 0, 0.0 4,-2.8 0, 0.0 5,-0.2 0.905 125.9 58.2 -55.0 -36.7 2.6 25.0 47.5 37 49 A R H 3> S+ 0 0 71 1,-0.2 4,-2.2 2,-0.2 5,-0.1 0.887 104.9 48.5 -58.6 -41.4 6.2 24.9 48.6 38 50 A D H <> S+ 0 0 21 -3,-0.5 4,-2.6 1,-0.2 -1,-0.2 0.897 111.3 51.9 -64.8 -40.0 5.2 22.5 51.4 39 51 A Y H X S+ 0 0 20 -4,-2.3 4,-2.0 2,-0.2 -2,-0.2 0.892 106.7 51.9 -64.9 -38.7 3.3 20.5 48.9 40 52 A Y H X S+ 0 0 7 -4,-2.8 4,-2.8 1,-0.2 -1,-0.2 0.957 112.6 46.3 -62.6 -46.3 6.4 20.3 46.6 41 53 A F H X S+ 0 0 24 -4,-2.2 4,-2.6 1,-0.2 5,-0.3 0.873 108.2 54.7 -64.6 -37.2 8.4 19.0 49.6 42 54 A A H X S+ 0 0 0 -4,-2.6 4,-1.7 2,-0.2 -1,-0.2 0.916 113.9 42.6 -62.1 -40.9 5.8 16.5 50.7 43 55 A L H X S+ 0 0 5 -4,-2.0 4,-3.0 2,-0.2 5,-0.2 0.908 111.4 55.0 -70.6 -42.3 5.8 15.0 47.1 44 56 A A H X S+ 0 0 0 -4,-2.8 4,-2.8 1,-0.2 -2,-0.2 0.914 110.3 45.3 -57.7 -45.6 9.6 15.2 46.9 45 57 A H H X S+ 0 0 39 -4,-2.6 4,-1.8 2,-0.2 -1,-0.2 0.901 112.4 52.7 -65.3 -39.8 10.0 13.1 50.1 46 58 A T H X S+ 0 0 3 -4,-1.7 4,-0.7 -5,-0.3 -2,-0.2 0.910 113.1 42.8 -61.6 -43.5 7.4 10.7 48.9 47 59 A V H >< S+ 0 0 0 -4,-3.0 3,-1.1 1,-0.2 4,-0.5 0.915 109.6 58.1 -70.4 -40.7 9.2 10.2 45.6 48 60 A R H >X S+ 0 0 48 -4,-2.8 3,-1.4 1,-0.3 4,-1.0 0.828 96.2 63.4 -57.8 -34.2 12.6 10.0 47.4 49 61 A D H 3X S+ 0 0 57 -4,-1.8 4,-0.7 1,-0.3 3,-0.4 0.851 94.2 61.9 -59.5 -34.4 11.4 7.1 49.5 50 62 A H H S+ 0 0 1 -3,-1.4 4,-2.9 -4,-0.5 -1,-0.2 0.814 91.0 74.4 -83.1 -33.9 14.7 5.3 45.6 52 64 A V H X S+ 0 0 48 -4,-1.0 4,-2.4 -3,-0.4 5,-0.3 0.855 91.5 51.6 -49.0 -53.1 15.9 4.0 49.0 53 65 A G H X S+ 0 0 28 -4,-0.7 4,-2.5 1,-0.2 -1,-0.2 0.966 117.9 38.0 -52.8 -56.2 15.2 0.3 48.4 54 66 A R H X S+ 0 0 53 -4,-0.5 4,-3.2 1,-0.2 172,-0.4 0.864 111.6 60.5 -64.6 -36.1 17.0 0.1 45.1 55 67 A W H X S+ 0 0 28 -4,-2.9 4,-1.6 1,-0.2 -1,-0.2 0.922 112.2 37.9 -57.0 -45.1 19.8 2.5 46.4 56 68 A I H X S+ 0 0 115 -4,-2.4 4,-1.9 2,-0.2 -2,-0.2 0.895 117.5 50.1 -74.2 -41.0 20.7 0.0 49.2 57 69 A R H X S+ 0 0 132 -4,-2.5 4,-2.9 -5,-0.3 -2,-0.2 0.907 109.4 52.1 -65.0 -40.2 20.2 -3.1 47.0 58 70 A T H X S+ 0 0 0 -4,-3.2 4,-2.3 2,-0.2 5,-0.2 0.954 112.2 42.9 -60.5 -54.2 22.4 -1.7 44.2 59 71 A Q H X S+ 0 0 47 -4,-1.6 4,-1.3 -5,-0.2 -1,-0.2 0.847 115.2 51.3 -62.5 -34.1 25.4 -0.8 46.4 60 72 A Q H X S+ 0 0 89 -4,-1.9 4,-2.7 2,-0.2 3,-0.3 0.928 108.1 52.4 -66.9 -44.3 24.9 -4.1 48.2 61 73 A H H X S+ 0 0 56 -4,-2.9 4,-3.3 1,-0.2 5,-0.3 0.893 107.3 51.6 -57.9 -42.5 24.9 -5.9 44.8 62 74 A Y H X S+ 0 0 6 -4,-2.3 4,-1.9 2,-0.2 -1,-0.2 0.817 110.3 50.1 -65.8 -30.8 28.1 -4.2 43.8 63 75 A Y H < S+ 0 0 151 -4,-1.3 -2,-0.2 -3,-0.3 -1,-0.2 0.929 115.1 42.1 -72.2 -45.5 29.7 -5.4 47.0 64 76 A E H < S+ 0 0 140 -4,-2.7 -2,-0.2 1,-0.2 -3,-0.2 0.941 122.7 39.1 -64.6 -48.6 28.6 -8.9 46.5 65 77 A K H < S- 0 0 117 -4,-3.3 -2,-0.2 -5,-0.2 -1,-0.2 0.765 89.8-153.8 -73.6 -30.2 29.4 -8.9 42.8 66 78 A D < + 0 0 83 -4,-1.9 -3,-0.1 -5,-0.3 -4,-0.1 0.905 23.1 174.6 54.5 53.2 32.7 -6.9 43.0 67 79 A P - 0 0 29 0, 0.0 -1,-0.1 0, 0.0 2,-0.1 -0.376 46.0 -79.1 -81.6 168.0 32.9 -5.4 39.6 68 80 A K - 0 0 38 726,-0.1 73,-0.4 -2,-0.1 2,-0.4 -0.434 54.3-130.3 -62.9 139.9 35.6 -2.9 38.6 69 81 A R E -a 301 0A 29 231,-2.4 233,-2.2 -3,-0.1 2,-0.6 -0.828 10.6-146.3-103.7 135.5 34.5 0.5 40.0 70 82 A I E -ab 302 142A 1 71,-2.3 73,-3.8 -2,-0.4 2,-0.7 -0.859 9.0-165.3-101.2 119.5 34.4 3.7 38.0 71 83 A Y E -ab 303 143A 2 231,-3.7 233,-2.9 -2,-0.6 2,-1.0 -0.897 2.2-164.2-108.5 110.1 35.3 7.0 39.8 72 84 A Y E -ab 304 144A 0 71,-2.2 73,-2.3 -2,-0.7 2,-0.5 -0.801 8.4-165.6 -96.8 96.5 34.3 10.0 37.9 73 85 A L E +ab 305 145A 0 231,-1.9 233,-2.2 -2,-1.0 2,-0.3 -0.730 20.7 153.9 -86.4 121.6 36.1 13.0 39.5 74 86 A S - 0 0 0 71,-2.1 73,-0.2 -2,-0.5 233,-0.1 -0.995 46.0-142.2-147.6 146.8 34.7 16.4 38.4 75 87 A L S S+ 0 0 0 231,-0.4 2,-0.3 -2,-0.3 71,-0.1 0.447 91.3 45.7 -87.0 -0.4 34.7 19.8 40.0 76 88 A E - 0 0 11 48,-0.1 2,-0.3 230,-0.1 44,-0.2 -1.000 50.6-179.9-145.7 144.1 31.2 20.3 38.6 77 89 A F E -J 119 0B 3 42,-2.7 2,-1.8 -2,-0.3 42,-0.8 -0.796 13.4-163.0-143.9 92.0 28.0 18.4 38.4 78 90 A Y E +J 118 0B 14 47,-1.5 40,-0.2 -2,-0.3 51,-0.1 -0.616 27.6 158.8 -78.0 83.3 25.3 20.5 36.6 79 91 A M E - 0 0 25 -2,-1.8 -1,-0.2 38,-1.3 39,-0.2 0.797 21.2-167.3 -82.2 -32.4 22.4 18.4 37.8 80 92 A G E -J 117 0B 0 37,-1.4 37,-1.1 -3,-0.2 -1,-0.2 -0.421 52.9 -13.3 74.4-156.1 19.4 20.7 37.5 81 93 A R - 0 0 28 35,-0.2 4,-0.1 1,-0.1 35,-0.1 -0.403 52.8-163.5 -79.6 160.9 16.2 19.6 39.2 82 94 A T > + 0 0 23 3,-0.1 4,-2.1 -2,-0.1 5,-0.2 0.630 68.1 77.6-118.4 -21.3 15.6 16.1 40.5 83 95 A L H > S+ 0 0 1 2,-0.2 4,-2.2 1,-0.2 5,-0.2 0.966 101.7 36.7 -59.9 -59.1 11.9 15.5 41.1 84 96 A Q H > S+ 0 0 30 1,-0.2 4,-3.0 2,-0.2 5,-0.2 0.932 116.9 54.0 -61.6 -44.0 10.7 14.9 37.5 85 97 A N H > S+ 0 0 16 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.872 109.2 48.2 -58.1 -37.3 13.9 13.0 36.6 86 98 A T H X S+ 0 0 0 -4,-2.1 4,-1.1 2,-0.2 -1,-0.2 0.920 112.3 48.4 -68.4 -43.9 13.4 10.7 39.6 87 99 A M H X>S+ 0 0 0 -4,-2.2 5,-2.7 -5,-0.2 6,-0.7 0.918 111.8 50.4 -62.4 -43.9 9.7 10.1 38.6 88 100 A V H ><5S+ 0 0 0 -4,-3.0 3,-1.1 1,-0.2 -2,-0.2 0.946 111.6 45.9 -59.6 -51.8 10.6 9.4 35.0 89 101 A N H 3<5S+ 0 0 0 -4,-2.1 133,-2.3 1,-0.3 135,-0.3 0.643 117.4 43.7 -69.4 -16.1 13.4 6.9 35.8 90 102 A L H 3<5S- 0 0 14 -4,-1.1 -1,-0.3 -3,-0.4 -2,-0.2 0.346 111.3-118.9-107.7 1.5 11.2 5.0 38.3 91 103 A A T <<5S+ 0 0 32 -3,-1.1 -85,-0.4 -4,-0.5 4,-0.2 0.785 78.9 120.7 65.6 33.4 8.1 5.1 36.1 92 104 A L >< + 0 0 12 -5,-2.7 4,-2.6 -6,-0.2 5,-0.3 0.370 33.3 101.4-107.7 3.5 6.1 7.1 38.7 93 105 A E H > S+ 0 0 1 -6,-0.7 4,-2.2 1,-0.2 -88,-0.2 0.917 86.9 38.9 -56.4 -53.0 5.2 10.3 36.7 94 106 A N H > S+ 0 0 36 -90,-2.1 4,-2.6 2,-0.2 -1,-0.2 0.891 116.5 52.3 -66.5 -39.8 1.6 9.5 35.8 95 107 A A H > S+ 0 0 0 -89,-0.6 4,-2.9 -91,-0.3 -2,-0.2 0.923 114.2 42.2 -60.7 -46.5 0.9 7.9 39.2 96 108 A C H X S+ 0 0 0 -4,-2.6 4,-2.8 2,-0.2 5,-0.3 0.855 113.0 54.4 -68.6 -36.0 2.2 11.0 41.1 97 109 A D H X S+ 0 0 50 -4,-2.2 4,-1.3 -5,-0.3 10,-0.3 0.902 114.1 40.9 -64.0 -41.6 0.4 13.2 38.6 98 110 A E H X S+ 0 0 75 -4,-2.6 4,-2.8 2,-0.2 -2,-0.2 0.905 114.7 51.3 -72.6 -44.9 -2.8 11.4 39.4 99 111 A A H X S+ 0 0 3 -4,-2.9 4,-1.2 1,-0.2 -2,-0.2 0.953 114.0 43.1 -58.3 -52.1 -2.2 11.2 43.1 100 112 A T H <>S+ 0 0 2 -4,-2.8 5,-3.4 1,-0.2 -1,-0.2 0.828 112.5 54.9 -64.8 -31.5 -1.5 14.9 43.4 101 113 A Y H ><5S+ 0 0 162 -4,-1.3 3,-2.2 -5,-0.3 -1,-0.2 0.935 105.8 50.9 -66.3 -45.0 -4.4 15.6 41.1 102 114 A Q H 3<5S+ 0 0 92 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.784 107.2 54.6 -62.4 -26.1 -6.7 13.7 43.4 103 115 A L T 3<5S- 0 0 26 -4,-1.2 -1,-0.3 -5,-0.2 -2,-0.2 0.346 125.8-107.2 -87.8 6.4 -5.3 15.8 46.3 104 116 A G T < 5S+ 0 0 64 -3,-2.2 2,-0.3 1,-0.2 -3,-0.2 0.782 77.9 129.3 74.9 29.7 -6.3 18.8 44.3 105 117 A L < - 0 0 25 -5,-3.4 2,-0.9 -6,-0.1 -1,-0.2 -0.892 59.1-133.0-121.0 149.1 -2.7 19.8 43.3 106 118 A D >> - 0 0 87 -2,-0.3 4,-1.9 1,-0.2 3,-1.5 -0.832 16.5-159.5 -98.6 100.3 -1.1 20.6 40.0 107 119 A M H 3> S+ 0 0 0 -2,-0.9 4,-2.3 1,-0.3 -1,-0.2 0.803 90.4 55.7 -48.8 -34.5 2.1 18.6 40.0 108 120 A E H 3> S+ 0 0 73 2,-0.2 4,-1.1 1,-0.2 -1,-0.3 0.824 104.2 52.7 -72.5 -27.8 3.7 20.8 37.4 109 121 A E H <4 S+ 0 0 97 -3,-1.5 3,-0.5 1,-0.2 -2,-0.2 0.925 110.9 48.9 -69.2 -41.0 3.1 23.8 39.6 110 122 A L H >X S+ 0 0 1 -4,-1.9 3,-1.9 1,-0.2 4,-0.5 0.876 104.0 58.9 -63.4 -40.9 4.9 21.9 42.4 111 123 A E H >< S+ 0 0 14 -4,-2.3 3,-0.8 1,-0.3 -1,-0.2 0.805 96.4 63.2 -60.3 -30.2 7.8 21.0 40.1 112 124 A E T 3< S+ 0 0 73 -4,-1.1 -1,-0.3 -3,-0.5 -2,-0.2 0.545 91.3 68.1 -72.5 -7.0 8.5 24.7 39.5 113 125 A I T <4 S+ 0 0 37 -3,-1.9 -1,-0.2 -4,-0.2 -2,-0.2 0.817 78.5 100.2 -81.2 -31.4 9.2 25.1 43.2 114 126 A E S << S- 0 0 17 -3,-0.8 2,-0.3 -4,-0.5 -33,-0.1 -0.214 70.8-129.1 -60.9 142.3 12.4 23.1 43.1 115 127 A E - 0 0 78 55,-0.2 -1,-0.1 -35,-0.1 2,-0.1 -0.701 25.5-111.6 -91.1 141.2 15.8 24.8 42.9 116 128 A D - 0 0 13 -2,-0.3 2,-1.6 1,-0.1 -35,-0.2 -0.416 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1,-0.2 -1,-0.2 0.853 68.0 53.2 -69.4 -38.8 66.0 18.9 23.1 391 423 A D H > S+ 0 0 69 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.839 104.4 56.9 -69.0 -30.6 63.2 21.2 22.1 392 424 A R H > S+ 0 0 19 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.885 106.3 51.4 -64.1 -37.1 60.8 18.3 22.3 393 425 A L H X S+ 0 0 44 -4,-1.1 4,-1.8 1,-0.2 -2,-0.2 0.927 110.5 47.7 -63.4 -45.7 61.9 17.9 25.9 394 426 A R H < S+ 0 0 161 -4,-1.9 -2,-0.2 1,-0.2 -1,-0.2 0.867 115.1 46.0 -63.7 -36.9 61.3 21.6 26.6 395 427 A R H < S+ 0 0 84 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.839 115.7 44.6 -75.6 -35.1 57.8 21.4 24.9 396 428 A M H < S+ 0 0 0 -4,-2.5 -2,-0.2 -5,-0.2 -1,-0.2 0.705 86.2 119.2 -83.1 -21.5 56.8 18.1 26.7 397 429 A S < - 0 0 15 -4,-1.8 14,-0.1 -5,-0.2 11,-0.1 -0.060 62.9-141.4 -48.8 141.4 58.0 19.1 30.1 398 430 A L S S+ 0 0 0 -27,-0.1 10,-3.3 13,-0.1 2,-0.5 0.717 89.2 74.4 -74.9 -21.9 55.5 19.3 33.0 399 431 A V E S-O 407 0F 14 8,-0.2 2,-0.5 -27,-0.1 8,-0.2 -0.824 72.1-155.1 -98.3 127.0 57.4 22.4 34.1 400 432 A E E -O 406 0F 45 6,-2.8 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0 0 1 -57,-0.4 4,-2.3 2,-0.2 -1,-0.2 0.930 107.7 48.5 -66.6 -42.0 47.4 18.9 31.1 411 443 A H H > S+ 0 0 17 1,-0.2 4,-2.2 2,-0.2 -2,-0.2 0.873 110.1 51.9 -63.8 -38.0 51.0 17.6 30.6 412 444 A L H X S+ 0 0 0 -4,-1.7 4,-2.0 1,-0.2 -1,-0.2 0.919 110.0 49.4 -64.5 -42.7 50.8 16.0 34.1 413 445 A C H < S+ 0 0 0 -4,-2.4 4,-0.5 2,-0.2 -2,-0.2 0.876 111.1 47.7 -64.7 -40.5 47.5 14.3 33.1 414 446 A I H >< S+ 0 0 0 -4,-2.3 3,-1.0 1,-0.2 -1,-0.2 0.946 114.0 47.4 -67.0 -46.1 48.8 12.9 29.8 415 447 A A H 3< S+ 0 0 2 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.830 117.0 44.1 -63.2 -33.0 51.9 11.6 31.5 416 448 A G T 3< S+ 0 0 0 -4,-2.0 -76,-0.4 -5,-0.2 2,-0.3 0.326 104.0 71.1 -98.9 9.6 49.9 10.0 34.3 417 449 A S < - 0 0 0 -3,-1.0 -76,-0.2 -4,-0.5 -79,-0.2 -0.916 63.4-145.3-125.7 152.3 47.0 8.4 32.4 418 450 A H S S+ 0 0 56 -78,-2.3 2,-0.4 -81,-1.2 -77,-0.2 0.604 91.1 37.8 -87.5 -13.1 46.7 5.4 30.1 419 451 A A E -h 341 0A 0 -79,-0.6 -77,-2.8 -82,-0.2 2,-0.4 -1.000 59.4-176.0-142.0 140.6 44.1 7.1 28.0 420 452 A V E -hi 342 447A 0 26,-2.9 28,-3.1 -2,-0.4 2,-0.3 -0.999 17.0-174.3-133.8 129.2 43.6 10.7 26.9 421 453 A N E -hi 343 448A 0 -79,-2.1 -77,-2.6 -2,-0.4 28,-0.2 -0.950 20.9-144.4-134.5 152.2 40.5 11.7 24.9 422 454 A G E - i 0 449A 0 26,-1.3 28,-1.8 -2,-0.3 -77,-0.1 -0.559 28.4-121.7 -98.0 171.6 39.0 14.7 23.1 423 455 A V S S+ 0 0 2 -79,-0.3 29,-2.6 -2,-0.2 2,-0.3 0.230 89.1 21.4-105.7 15.7 35.2 15.3 23.2 424 456 A A S > S- 0 0 0 27,-0.3 4,-3.1 1,-0.1 5,-0.3 -0.889 85.6-104.4-172.3 147.6 34.4 15.2 19.5 425 457 A R H > S+ 0 0 91 -2,-0.3 4,-1.9 1,-0.2 5,-0.2 0.859 119.5 47.9 -48.6 -47.2 36.2 13.7 16.5 426 458 A I H > S+ 0 0 52 236,-0.4 4,-1.9 2,-0.2 -1,-0.2 0.916 115.4 46.2 -63.2 -41.5 37.5 17.0 15.1 427 459 A H H > S+ 0 0 6 214,-0.5 4,-1.4 1,-0.2 -2,-0.2 0.919 111.9 50.3 -66.1 -46.1 38.8 18.0 18.6 428 460 A S H X S+ 0 0 1 -4,-3.1 4,-1.1 1,-0.2 -1,-0.2 0.835 110.1 51.6 -62.6 -33.1 40.3 14.6 19.3 429 461 A E H X S+ 0 0 76 -4,-1.9 4,-1.9 -5,-0.3 3,-0.3 0.920 107.5 50.5 -71.6 -42.9 42.1 14.7 15.9 430 462 A I H X>S+ 0 0 58 -4,-1.9 4,-3.1 1,-0.2 5,-0.8 0.767 103.1 61.4 -66.6 -24.8 43.6 18.2 16.5 431 463 A L H <>S+ 0 0 2 -4,-1.4 5,-2.5 1,-0.2 9,-0.2 0.910 111.8 38.5 -65.8 -40.5 44.9 17.0 19.9 432 464 A K H <5S+ 0 0 35 -4,-1.1 -2,-0.2 -3,-0.3 -1,-0.2 0.771 121.9 45.8 -77.3 -29.7 47.0 14.4 18.1 433 465 A K H <5S- 0 0 95 -4,-1.9 -2,-0.2 -5,-0.1 -3,-0.2 0.906 134.2 -12.3 -81.1 -47.2 47.8 16.8 15.3 434 466 A T T ><5S+ 0 0 87 -4,-3.1 3,-1.9 -5,-0.1 4,-0.4 0.696 122.6 49.9-119.3 -79.1 48.8 19.9 17.1 435 467 A I T 3 S+ 0 0 95 -3,-1.9 4,-2.0 1,-0.3 5,-0.1 0.848 76.2 49.8 -45.5 -43.4 51.4 16.2 18.8 438 470 A D H > S+ 0 0 20 -4,-0.4 4,-1.6 2,-0.2 -1,-0.3 0.896 111.2 46.8 -67.8 -40.9 54.5 15.4 20.8 439 471 A F H > S+ 0 0 7 -3,-0.4 4,-2.4 1,-0.2 -2,-0.2 0.890 111.5 53.4 -68.4 -36.1 52.7 13.4 23.4 440 472 A Y H < S+ 0 0 74 -4,-3.0 -2,-0.2 -9,-0.2 -1,-0.2 0.889 106.8 50.8 -64.7 -40.1 50.9 11.6 20.6 441 473 A E H < S+ 0 0 70 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.865 112.6 47.1 -67.6 -33.9 54.2 10.7 18.9 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