==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=21-JUN-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE/TRANSFERASE INHIBITOR 25-JUL-11 3T3D . COMPND 2 MOLECULE: GLYCOGEN PHOSPHORYLASE, MUSCLE FORM; . SOURCE 2 ORGANISM_SCIENTIFIC: ORYCTOLAGUS CUNICULUS; . AUTHOR A.L.KANTSADI,V.T.SKAMNAKI,D.D.LEONIDAS . 810 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 31032.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 618 76.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 58 7.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 45 5.6 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 . 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 . 52 6.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 109 13.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 320 39.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 16 2.0 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 3 5 2 2 2 4 2 0 0 1 0 3 0 1 0 1 0 1 0 0 1 0 0 0 1 RESIDUES PER ALPHA HELIX . 2 3 1 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 0 1 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 2 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 12 A Q 0 0 214 0, 0.0 2,-0.4 0, 0.0 94,-0.0 0.000 360.0 360.0 360.0 -53.5 -2.4 10.9 31.0 2 13 A I > - 0 0 30 1,-0.1 3,-1.5 4,-0.1 93,-0.1 -0.927 360.0-132.2-120.7 136.7 0.6 9.9 28.6 3 14 A S G > S+ 0 0 69 -2,-0.4 3,-1.8 1,-0.3 -1,-0.1 0.816 98.5 61.3 -66.7 -37.7 2.1 6.4 28.3 4 15 A V G 3 S+ 0 0 2 1,-0.3 -1,-0.3 469,-0.1 88,-0.1 0.658 94.3 71.2 -60.7 -17.1 5.9 7.0 28.7 5 16 A R G < S- 0 0 26 -3,-1.5 90,-2.2 1,-0.2 91,-0.3 0.300 104.6-126.0 -79.2 6.2 5.1 8.4 32.2 6 17 A G < - 0 0 19 -3,-1.8 2,-0.3 88,-0.2 -1,-0.2 -0.015 39.3 -32.3 80.0 179.1 4.3 4.9 33.6 7 18 A L - 0 0 150 85,-0.2 2,-0.7 88,-0.1 89,-0.4 -0.520 33.9-155.5 -73.4 131.1 1.3 3.2 35.4 8 19 A A - 0 0 48 -2,-0.3 -1,-0.1 87,-0.2 85,-0.1 -0.623 29.5-173.6 -98.4 71.7 -1.0 5.0 37.8 9 20 A G > - 0 0 32 -2,-0.7 4,-2.8 1,-0.1 5,-0.2 -0.255 33.3-123.0 -55.7 148.5 -2.0 1.8 39.8 10 21 A V H > S+ 0 0 123 2,-0.2 4,-1.7 1,-0.2 5,-0.2 0.909 113.7 48.2 -64.0 -43.6 -4.8 2.0 42.5 11 22 A E H > S+ 0 0 160 2,-0.2 4,-3.2 3,-0.2 5,-0.2 0.964 114.2 45.2 -54.8 -58.0 -2.3 0.6 45.1 12 23 A N H > S+ 0 0 79 1,-0.2 4,-2.8 2,-0.2 -2,-0.2 0.910 112.7 49.4 -57.1 -46.4 0.5 3.0 44.1 13 24 A V H X S+ 0 0 5 -4,-2.8 4,-2.0 2,-0.2 -1,-0.2 0.892 114.2 46.6 -62.4 -36.2 -1.7 6.1 44.0 14 25 A T H X S+ 0 0 64 -4,-1.7 4,-2.2 -5,-0.2 -2,-0.2 0.955 113.0 48.5 -73.5 -50.6 -3.1 5.2 47.4 15 26 A E H X S+ 0 0 97 -4,-3.2 4,-2.1 2,-0.2 5,-0.3 0.926 110.3 52.3 -46.8 -49.2 0.3 4.5 48.9 16 27 A L H X S+ 0 0 8 -4,-2.8 4,-2.3 1,-0.2 -2,-0.2 0.926 109.4 50.2 -60.6 -44.4 1.7 7.8 47.5 17 28 A K H X S+ 0 0 52 -4,-2.0 4,-2.2 2,-0.2 -1,-0.2 0.898 109.4 48.5 -60.2 -44.6 -1.1 9.8 49.1 18 29 A K H X S+ 0 0 110 -4,-2.2 4,-1.9 1,-0.2 -1,-0.2 0.908 114.5 45.9 -67.0 -38.9 -0.8 8.3 52.6 19 30 A N H X S+ 0 0 30 -4,-2.1 4,-2.6 2,-0.2 -1,-0.2 0.821 109.5 54.7 -69.2 -33.8 3.0 8.8 52.6 20 31 A F H X S+ 0 0 3 -4,-2.3 4,-2.1 -5,-0.3 -2,-0.2 0.971 111.5 45.0 -62.4 -52.4 2.6 12.4 51.3 21 32 A N H X S+ 0 0 65 -4,-2.2 4,-1.6 2,-0.2 -2,-0.2 0.839 110.3 55.5 -59.0 -35.3 0.2 13.1 54.2 22 33 A R H X>S+ 0 0 92 -4,-1.9 4,-2.8 -5,-0.2 5,-0.6 0.987 110.0 44.5 -62.4 -55.6 2.6 11.4 56.6 23 34 A H H X>S+ 0 0 11 -4,-2.6 5,-2.7 1,-0.2 4,-0.8 0.836 109.2 55.8 -56.0 -36.5 5.5 13.6 55.6 24 35 A L H <5S+ 0 0 5 -4,-2.1 6,-1.9 3,-0.2 -1,-0.2 0.931 118.9 35.1 -61.9 -39.5 3.4 16.8 55.7 25 36 A H H X5S+ 0 0 112 -4,-1.6 4,-1.0 -3,-0.4 -2,-0.2 0.989 131.2 23.2 -79.9 -65.1 2.5 15.9 59.3 26 37 A F H <5S+ 0 0 143 -4,-2.8 -3,-0.2 -5,-0.2 -2,-0.1 0.836 130.3 36.1 -75.8 -35.9 5.7 14.2 60.8 27 38 A T T <> - 0 0 78 -2,-0.3 3,-1.7 -3,-0.1 4,-1.4 -0.904 41.3 -86.4-136.2 175.4 -1.2 20.5 58.4 32 43 A R T 34 S+ 0 0 106 -2,-0.3 -7,-0.0 1,-0.3 -8,-0.0 0.658 118.9 59.0 -53.0 -27.2 -3.4 21.4 55.5 33 44 A N T 34 S+ 0 0 149 1,-0.2 -1,-0.3 3,-0.0 -3,-0.0 0.739 117.3 28.1 -81.5 -20.7 -4.5 24.8 56.9 34 45 A V T <4 S+ 0 0 96 -3,-1.7 -2,-0.2 2,-0.1 -1,-0.2 0.516 90.2 119.3-113.8 -8.3 -1.1 26.4 57.1 35 46 A A < - 0 0 18 -4,-1.4 -11,-0.0 4,-0.1 -5,-0.0 -0.322 45.7-157.2 -60.5 130.8 0.9 24.5 54.4 36 47 A T >> - 0 0 68 1,-0.1 4,-1.7 -2,-0.1 3,-0.5 -0.640 38.1 -98.5 -95.6 166.9 2.3 26.6 51.5 37 48 A P H 3> S+ 0 0 61 0, 0.0 4,-2.9 0, 0.0 5,-0.2 0.879 126.3 60.7 -48.8 -36.0 3.1 25.2 48.1 38 49 A R H 3> S+ 0 0 75 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.922 102.4 49.7 -60.0 -42.5 6.7 25.0 49.4 39 50 A D H <> S+ 0 0 21 -3,-0.5 4,-2.1 2,-0.2 -1,-0.2 0.834 110.8 51.8 -62.8 -30.6 5.6 22.6 52.1 40 51 A Y H X S+ 0 0 20 -4,-1.7 4,-2.5 2,-0.2 5,-0.2 0.933 105.7 52.4 -75.1 -43.1 3.8 20.6 49.4 41 52 A Y H X S+ 0 0 8 -4,-2.9 4,-3.2 1,-0.2 -2,-0.2 0.918 112.2 47.7 -50.3 -45.4 6.9 20.4 47.2 42 53 A F H X S+ 0 0 23 -4,-2.2 4,-3.1 2,-0.2 5,-0.3 0.900 108.6 52.2 -68.3 -39.9 8.8 19.1 50.3 43 54 A A H X S+ 0 0 0 -4,-2.1 4,-1.9 2,-0.2 -1,-0.2 0.938 114.6 43.2 -63.7 -43.8 6.2 16.5 51.2 44 55 A L H X S+ 0 0 5 -4,-2.5 4,-2.9 2,-0.2 5,-0.3 0.947 112.3 55.1 -62.2 -43.4 6.3 15.2 47.6 45 56 A A H X S+ 0 0 0 -4,-3.2 4,-2.2 -5,-0.2 -2,-0.2 0.930 110.8 43.1 -60.5 -46.4 10.0 15.4 47.6 46 57 A H H X S+ 0 0 36 -4,-3.1 4,-1.4 2,-0.2 -1,-0.2 0.841 112.5 54.9 -63.9 -32.7 10.4 13.2 50.8 47 58 A T H X S+ 0 0 1 -4,-1.9 4,-0.9 -5,-0.3 3,-0.4 0.964 111.3 42.5 -66.9 -46.6 7.7 10.8 49.5 48 59 A V H >X S+ 0 0 0 -4,-2.9 3,-0.8 1,-0.2 4,-0.6 0.903 109.6 58.3 -67.4 -42.6 9.6 10.2 46.2 49 60 A R H >X S+ 0 0 62 -4,-2.2 3,-1.0 -5,-0.3 4,-1.0 0.807 94.5 67.6 -54.5 -31.9 12.9 9.9 48.0 50 61 A D H >X S+ 0 0 52 -4,-1.4 4,-0.7 -3,-0.4 3,-0.6 0.905 95.4 55.0 -57.0 -40.2 11.4 7.1 50.1 51 62 A H H + 0 0 23 -2,-0.2 4,-2.3 3,-0.1 5,-0.2 0.648 67.9 77.6-105.3 -25.1 16.2 16.3 41.0 84 95 A L H > S+ 0 0 0 2,-0.2 4,-2.2 1,-0.2 5,-0.2 0.952 99.4 37.2 -64.6 -56.1 12.4 15.7 41.6 85 96 A Q H > S+ 0 0 32 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.931 116.9 54.0 -60.8 -41.7 11.1 15.1 38.1 86 97 A N H > S+ 0 0 16 1,-0.3 4,-2.1 2,-0.2 -1,-0.2 0.877 107.9 49.7 -62.4 -38.8 14.2 13.2 37.1 87 98 A T H X S+ 0 0 1 -4,-2.3 4,-1.1 2,-0.2 -1,-0.3 0.926 111.4 48.6 -64.0 -44.3 13.8 10.9 40.0 88 99 A M H >X>S+ 0 0 0 -4,-2.2 5,-2.3 1,-0.2 4,-1.1 0.948 111.5 50.6 -59.4 -46.3 10.1 10.2 39.1 89 100 A V H ><5S+ 0 0 0 -4,-2.9 3,-0.6 1,-0.2 -1,-0.2 0.901 111.1 46.6 -58.7 -44.2 11.0 9.6 35.5 90 101 A N H 3<5S+ 0 0 1 -4,-2.1 133,-2.2 1,-0.2 135,-0.3 0.634 117.0 44.4 -79.4 -12.7 13.8 7.0 36.3 91 102 A L H <<5S- 0 0 17 -4,-1.1 -1,-0.2 -3,-0.7 -2,-0.2 0.439 108.9-121.3-104.9 -7.1 11.6 5.3 38.8 92 103 A A T <<5S+ 0 0 33 -4,-1.1 -85,-0.2 -3,-0.6 -3,-0.2 0.860 78.3 120.3 70.6 36.7 8.5 5.2 36.6 93 104 A L >< + 0 0 9 -5,-2.3 4,-3.1 -6,-0.2 5,-0.3 0.421 34.4 102.2-111.9 -7.0 6.5 7.2 39.2 94 105 A E H > S+ 0 0 1 -6,-0.6 4,-1.7 1,-0.2 -88,-0.2 0.835 84.8 38.6 -55.9 -47.2 5.5 10.2 37.3 95 106 A N H > S+ 0 0 14 -90,-2.2 4,-2.8 2,-0.2 -1,-0.2 0.909 116.0 53.7 -72.2 -41.2 1.9 9.4 36.4 96 107 A A H > S+ 0 0 0 -89,-0.4 4,-3.3 -91,-0.3 -2,-0.2 0.940 111.0 45.2 -55.7 -51.6 1.2 7.9 39.8 97 108 A C H X S+ 0 0 1 -4,-3.1 4,-2.1 2,-0.2 -1,-0.2 0.832 112.6 52.5 -60.0 -37.7 2.5 11.1 41.6 98 109 A D H X S+ 0 0 39 -4,-1.7 4,-2.0 -5,-0.3 10,-0.2 0.900 114.4 42.3 -61.7 -45.5 0.5 13.2 39.1 99 110 A E H X S+ 0 0 69 -4,-2.8 4,-2.6 2,-0.2 5,-0.2 0.981 114.4 50.4 -61.6 -57.3 -2.6 11.2 40.0 100 111 A A H X S+ 0 0 3 -4,-3.3 4,-1.0 1,-0.3 -2,-0.2 0.819 115.0 43.2 -52.7 -37.9 -1.8 11.1 43.7 101 112 A T H <>S+ 0 0 2 -4,-2.1 5,-3.4 2,-0.2 -1,-0.3 0.843 109.8 55.3 -83.4 -35.0 -1.3 14.9 43.9 102 113 A Y H ><5S+ 0 0 171 -4,-2.0 3,-1.3 3,-0.2 -2,-0.2 0.887 107.5 51.9 -56.5 -43.1 -4.3 15.7 41.7 103 114 A Q H 3<5S+ 0 0 94 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.783 105.8 52.6 -68.5 -30.0 -6.5 13.7 44.1 104 115 A L T 3<5S- 0 0 24 -4,-1.0 -1,-0.3 -5,-0.2 -2,-0.2 0.321 126.0-108.5 -80.3 3.3 -5.1 15.7 47.1 105 116 A G T < 5S+ 0 0 64 -3,-1.3 2,-0.3 1,-0.2 -3,-0.2 0.767 78.0 124.2 77.4 25.0 -6.2 18.7 45.0 106 117 A L < - 0 0 26 -5,-3.4 2,-0.7 -8,-0.1 -1,-0.2 -0.777 60.5-126.9-114.5 158.2 -2.7 19.9 44.0 107 118 A D >> - 0 0 77 -2,-0.3 4,-1.6 1,-0.1 3,-0.9 -0.896 15.2-158.9-104.9 107.7 -0.9 20.6 40.7 108 119 A M H 3> S+ 0 0 3 -2,-0.7 4,-1.9 1,-0.3 -1,-0.1 0.783 89.5 56.0 -55.5 -32.6 2.3 18.6 40.5 109 120 A E H 3> S+ 0 0 95 2,-0.2 4,-1.3 1,-0.2 -1,-0.3 0.841 105.0 52.2 -70.1 -34.2 3.9 20.9 37.8 110 121 A E H <4 S+ 0 0 116 -3,-0.9 4,-0.3 1,-0.2 -1,-0.2 0.867 109.6 51.2 -66.3 -37.5 3.3 23.9 40.0 111 122 A L H >< S+ 0 0 2 -4,-1.6 3,-1.2 1,-0.2 4,-0.4 0.847 103.3 57.3 -66.1 -41.1 5.1 22.0 42.8 112 123 A E H >< S+ 0 0 17 -4,-1.9 3,-1.3 1,-0.2 -1,-0.2 0.859 96.0 66.0 -55.9 -39.4 8.2 21.1 40.6 113 124 A E T 3< S+ 0 0 78 -4,-1.3 -1,-0.2 1,-0.2 -2,-0.2 0.646 92.9 62.3 -61.5 -15.5 8.7 24.8 39.9 114 125 A I T < S+ 0 0 37 -3,-1.2 -1,-0.2 -4,-0.3 -2,-0.2 0.713 77.2 102.1 -82.5 -25.9 9.6 25.4 43.6 115 126 A E S < S- 0 0 12 -3,-1.3 2,-0.3 -4,-0.4 -33,-0.1 -0.408 73.3-127.7 -59.7 128.6 12.7 23.1 43.6 116 127 A E - 0 0 67 55,-0.2 2,-0.2 -2,-0.1 -1,-0.1 -0.620 25.3-112.3 -69.8 136.1 16.0 25.1 43.5 117 128 A D - 0 0 14 -2,-0.3 2,-1.5 -35,-0.1 -35,-0.2 -0.459 19.5-126.2 -53.6 133.0 18.5 24.0 40.8 118 129 A A E -J 81 0B 11 -37,-1.6 -37,-1.6 -2,-0.2 2,-1.2 -0.721 32.9-175.0 -77.1 91.9 21.6 22.4 42.1 119 130 A G E +J 79 0B 4 -2,-1.5 35,-2.3 1,-0.2 2,-0.4 -0.291 25.8 146.6 -87.3 54.7 23.9 24.9 40.2 120 131 A L E +J 78 0B 3 -2,-1.2 -42,-2.5 -42,-0.6 2,-0.3 -0.058 60.1 41.1 -85.8 34.4 27.2 23.2 41.2 121 132 A G S S- 0 0 0 -2,-0.4 33,-0.3 -44,-0.2 -44,-0.1 -0.983 72.1-122.0-165.0-179.1 28.8 24.1 37.9 122 133 A N - 0 0 3 -2,-0.3 2,-0.2 144,-0.1 462,-0.2 0.790 67.5 -62.5 -98.4 -32.6 29.4 26.6 35.1 123 134 A G S > S+ 0 0 6 421,-0.1 4,-2.4 422,-0.0 5,-0.2 -0.713 99.0 3.7 172.0-133.1 28.3 25.3 31.8 124 135 A G H > S+ 0 0 22 1,-0.2 4,-1.9 -2,-0.2 5,-0.1 0.820 124.2 46.8 -65.3 -40.1 29.3 22.4 29.5 125 136 A L H > S+ 0 0 26 2,-0.2 4,-1.4 1,-0.2 -1,-0.2 0.921 115.4 47.0 -69.3 -40.1 31.9 20.6 31.5 126 137 A G H > S+ 0 0 0 1,-0.2 -47,-1.9 2,-0.2 4,-1.4 0.918 114.3 47.2 -67.1 -40.8 29.8 20.6 34.7 127 138 A R H X S+ 0 0 6 -4,-2.4 4,-2.2 1,-0.2 -1,-0.2 0.802 105.4 58.3 -73.8 -28.1 26.7 19.5 32.9 128 139 A L H X S+ 0 0 2 -4,-1.9 4,-3.0 2,-0.2 -1,-0.2 0.881 102.8 55.3 -64.7 -38.1 28.6 16.7 31.1 129 140 A A H X S+ 0 0 0 -4,-1.4 4,-2.1 1,-0.2 -2,-0.2 0.935 108.5 48.7 -62.2 -43.2 29.5 15.4 34.5 130 141 A A H X S+ 0 0 4 -4,-1.4 4,-1.8 2,-0.2 -2,-0.2 0.911 112.0 46.6 -61.6 -43.9 25.8 15.3 35.3 131 142 A C H X S+ 0 0 2 -4,-2.2 4,-2.7 1,-0.2 5,-0.2 0.940 110.4 55.3 -63.8 -42.8 24.8 13.5 32.1 132 143 A F H X S+ 0 0 0 -4,-3.0 4,-2.9 1,-0.2 -2,-0.2 0.891 104.8 51.6 -56.7 -44.2 27.7 11.0 32.7 133 144 A L H X S+ 0 0 6 -4,-2.1 4,-2.2 2,-0.2 -1,-0.2 0.921 111.3 47.3 -62.6 -42.3 26.4 10.1 36.2 134 145 A D H X S+ 0 0 10 -4,-1.8 4,-2.8 1,-0.2 88,-0.3 0.957 114.7 46.5 -61.1 -46.7 22.9 9.4 34.8 135 146 A S H X S+ 0 0 0 -4,-2.7 4,-1.7 1,-0.2 -1,-0.2 0.879 110.4 53.0 -62.7 -38.3 24.4 7.3 32.0 136 147 A M H <>S+ 0 0 1 -4,-2.9 5,-2.1 1,-0.2 -1,-0.2 0.907 111.4 45.2 -67.0 -38.3 26.7 5.4 34.4 137 148 A A H ><5S+ 0 0 0 -4,-2.2 3,-1.3 1,-0.2 84,-0.3 0.900 112.0 53.3 -70.2 -41.6 23.8 4.4 36.7 138 149 A T H 3<5S+ 0 0 0 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.798 109.0 48.5 -62.7 -29.0 21.7 3.5 33.6 139 150 A L T 3<5S- 0 0 13 -4,-1.7 667,-1.9 -5,-0.2 -1,-0.3 0.172 114.3-116.3-104.3 16.9 24.5 1.1 32.3 140 151 A G T < 5 + 0 0 25 -3,-1.3 2,-0.3 1,-0.2 -3,-0.2 0.716 57.9 155.7 65.4 29.6 25.0 -0.5 35.6 141 152 A L < - 0 0 7 -5,-2.1 2,-1.9 1,-0.1 -1,-0.2 -0.692 52.8-119.3 -89.5 144.9 28.5 0.5 36.3 142 153 A A + 0 0 6 -73,-0.4 -71,-2.4 -2,-0.3 2,-0.3 -0.583 60.5 158.4 -81.0 84.6 29.8 0.7 39.8 143 154 A A E -b 71 0A 3 -2,-1.9 86,-0.8 -73,-0.2 2,-0.4 -0.830 31.2-163.8-123.3 143.6 30.5 4.4 39.6 144 155 A Y E -bc 72 229A 8 -73,-2.9 -71,-2.2 -2,-0.3 2,-0.5 -0.987 11.8-147.5-127.7 122.2 30.9 7.2 42.0 145 156 A G E -bc 73 230A 1 84,-1.8 86,-3.0 -2,-0.4 2,-0.4 -0.756 20.9-168.1 -77.5 128.7 30.8 11.0 41.3 146 157 A Y E +bc 74 231A 0 -73,-2.8 -71,-2.2 -2,-0.5 2,-0.2 -0.980 25.4 117.4-120.8 132.1 33.2 12.9 43.7 147 158 A G E - c 0 232A 0 84,-2.0 86,-2.3 -2,-0.4 2,-0.4 -0.727 58.0 -62.9-158.5-153.2 33.2 16.7 44.1 148 159 A I E - c 0 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136.9 44.9 26.1 30.7 361 385 A E + 0 0 5 -2,-0.2 56,-1.8 -92,-0.0 57,-0.5 -0.592 36.8 167.2 -80.4 120.1 45.9 25.7 34.3 362 386 A R E -M 416 0E 77 -2,-0.5 54,-0.2 54,-0.2 -90,-0.0 -0.887 21.3-155.1-132.4 97.2 49.5 26.8 34.9 363 387 A W E -M 415 0E 0 52,-1.8 52,-2.5 -2,-0.4 2,-0.1 -0.598 19.5-116.2 -81.6 129.3 50.1 27.1 38.6 364 388 A P E >> -M 414 0E 14 0, 0.0 4,-1.5 0, 0.0 3,-0.6 -0.423 19.1-134.5 -56.9 133.1 52.9 29.4 40.0 365 389 A V H 3> S+ 0 0 9 48,-2.2 4,-2.6 1,-0.2 5,-0.2 0.835 103.5 63.4 -53.8 -38.4 55.6 27.3 41.7 366 390 A H H 3> S+ 0 0 102 47,-0.4 4,-1.3 1,-0.2 -1,-0.2 0.851 103.4 50.5 -63.1 -30.1 55.6 29.8 44.7 367 391 A L H <> S+ 0 0 25 -3,-0.6 4,-2.4 2,-0.2 5,-0.3 0.933 112.0 44.1 -68.0 -49.6 52.0 28.8 45.4 368 392 A L H X S+ 0 0 0 -4,-1.5 4,-3.1 1,-0.2 8,-0.3 0.908 110.0 56.8 -66.2 -41.7 52.7 25.0 45.3 369 393 A E H < S+ 0 0 111 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.874 114.4 38.1 -47.2 -48.7 55.8 25.4 47.4 370 394 A T H < S+ 0 0 78 -4,-1.3 -2,-0.2 -5,-0.2 -1,-0.2 0.893 128.1 31.8 -72.9 -45.3 53.9 27.1 50.2 371 395 A L H < S+ 0 0 0 -4,-2.4 -179,-2.0 1,-0.2 -3,-0.2 0.854 136.1 16.1 -88.2 -37.8 50.7 25.1 50.1 372 396 A L X + 0 0 0 -4,-3.1 4,-2.0 -5,-0.3 -1,-0.2 -0.477 66.1 165.2-138.8 60.7 51.8 21.7 49.0 373 397 A P H > S+ 0 0 19 0, 0.0 4,-1.4 0, 0.0 -1,-0.1 0.854 78.9 48.2 -61.6 -38.9 55.6 21.4 49.5 374 398 A R H >> S+ 0 0 25 1,-0.2 4,-2.2 2,-0.2 3,-0.7 0.972 107.6 53.9 -63.1 -53.4 55.7 17.7 49.2 375 399 A H H 3> S+ 0 0 0 1,-0.3 4,-2.5 2,-0.2 -1,-0.2 0.832 104.6 56.6 -48.7 -36.4 53.6 17.5 46.0 376 400 A L H 3X S+ 0 0 9 -4,-2.0 4,-2.5 -8,-0.3 -1,-0.3 0.937 107.4 49.0 -61.3 -44.3 56.0 20.0 44.4 377 401 A Q H X S+ 0 0 6 -4,-2.2 4,-1.8 -5,-0.2 3,-0.8 0.940 108.0 51.2 -68.5 -47.7 59.7 11.9 32.2 387 411 A L H 3X S+ 0 0 35 -4,-3.2 4,-3.0 1,-0.3 -2,-0.2 0.781 103.9 60.0 -62.8 -27.4 62.3 14.2 30.5 388 412 A N H 3X S+ 0 0 102 -4,-1.6 4,-1.4 2,-0.2 -1,-0.3 0.799 104.5 49.2 -71.2 -26.5 64.8 11.3 30.6 389 413 A R H X S+ 0 0 1 -4,-1.8 4,-2.2 2,-0.2 3,-1.4 0.990 111.4 48.2 -64.0 -60.0 62.1 12.2 26.1 391 415 A A H 3< S+ 0 0 38 -4,-3.0 6,-0.2 1,-0.3 -1,-0.2 0.866 113.1 50.2 -42.8 -41.8 65.9 12.7 25.8 392 416 A A H 3< S+ 0 0 81 -4,-1.4 -1,-0.3 1,-0.2 -2,-0.2 0.745 114.2 42.4 -80.6 -19.4 66.3 9.0 25.2 393 417 A A H << S+ 0 0 55 -3,-1.4 -1,-0.2 -4,-1.1 -2,-0.2 0.659 129.4 26.9 -93.5 -23.4 63.7 8.8 22.5 394 418 A F S >< S- 0 0 52 -4,-2.2 3,-2.1 -5,-0.1 -1,-0.2 -0.552 85.1-162.7-137.5 65.6 64.7 12.0 20.7 395 419 A P T 3 S+ 0 0 112 0, 0.0 -3,-0.1 0, 0.0 -4,-0.1 -0.261 74.0 13.3 -60.6 135.2 68.4 12.4 21.5 396 420 A G T 3 S+ 0 0 73 1,-0.2 2,-1.9 -5,-0.1 3,-0.2 0.234 85.8 125.1 88.3 -12.7 69.7 16.0 20.9 397 421 A D <> + 0 0 56 -3,-2.1 4,-1.4 1,-0.2 3,-0.2 -0.538 26.6 165.6 -80.0 79.1 66.3 17.6 20.6 398 422 A V H > S+ 0 0 114 -2,-1.9 4,-1.6 1,-0.2 -1,-0.2 0.817 71.2 57.1 -68.5 -29.9 66.8 20.2 23.3 399 423 A D H > S+ 0 0 75 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.886 101.9 55.5 -67.7 -35.7 63.8 22.3 22.1 400 424 A R H > S+ 0 0 20 -3,-0.2 4,-2.7 1,-0.2 5,-0.2 0.923 104.9 55.4 -59.2 -43.6 61.4 19.3 22.6 401 425 A L H X S+ 0 0 51 -4,-1.4 4,-0.9 1,-0.2 -1,-0.2 0.916 109.3 44.0 -58.5 -49.8 62.6 19.0 26.2 402 426 A R H < S+ 0 0 165 -4,-1.6 3,-0.4 1,-0.2 -1,-0.2 0.901 115.8 48.3 -66.8 -37.5 61.7 22.6 27.0 403 427 A R H < S+ 0 0 85 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.855 115.5 44.3 -65.6 -36.0 58.3 22.4 25.3 404 428 A M H < S+ 0 0 0 -4,-2.7 -1,-0.2 -5,-0.2 -2,-0.2 0.575 85.5 119.7 -87.0 -7.8 57.5 19.1 27.0 405 429 A S < - 0 0 14 -4,-0.9 11,-0.2 -3,-0.4 14,-0.1 -0.252 61.3-144.3 -60.5 138.6 58.6 20.1 30.5 406 430 A L S S+ 0 0 0 13,-0.1 10,-2.5 1,-0.1 2,-0.7 0.738 90.7 73.3 -68.5 -17.2 55.9 20.0 33.2 407 431 A V E S-N 415 0E 10 8,-0.2 2,-0.5 -27,-0.1 8,-0.2 -0.864 76.4-151.8-102.0 110.4 57.8 23.1 34.5 408 432 A E E -N 414 0E 54 6,-2.4 6,-1.9 -2,-0.7 2,-0.2 -0.699 10.4-148.9 -79.5 127.6 57.4 26.3 32.5 409 433 A E + 0 0 141 -2,-0.5 2,-0.3 4,-0.2 3,-0.1 -0.518 47.4 71.0 -84.8 154.3 60.4 28.7 32.7 410 434 A G S S- 0 0 51 1,-0.2 3,-0.1 -2,-0.2 -2,-0.0 -0.948 92.5 -2.4 148.5-161.5 60.0 32.5 32.5 411 435 A A S S+ 0 0 120 -2,-0.3 2,-0.4 1,-0.2 -1,-0.2 0.849 138.7 0.1 -15.5 -86.0 58.7 35.6 34.4 412 436 A V S S- 0 0 63 -3,-0.1 -1,-0.2 -47,-0.0 2,-0.2 -0.934 92.1-109.2-107.6 138.9 57.5 33.3 37.3 413 437 A K - 0 0 83 -2,-0.4 -48,-2.2 -3,-0.1 -47,-0.4 -0.481 42.6-169.5 -61.3 139.7 58.1 29.5 37.0 414 438 A R E -MN 364 408E 69 -6,-1.9 -6,-2.4 -50,-0.3 2,-0.6 -0.897 23.2-126.7-127.0 157.7 54.7 27.6 36.5 415 439 A I E -MN 363 407E 0 -52,-2.5 -52,-1.8 -2,-0.3 2,-0.9 -0.929 19.6-142.3-105.1 122.4 53.5 24.0 36.5 416 440 A N E > -M 362 0E 8 -10,-2.5 4,-1.6 -2,-0.6 -54,-0.2 -0.694 13.5-167.1 -79.4 104.8 51.7 23.0 33.4 417 441 A M H > S+ 0 0 0 -56,-1.8 4,-2.2 -2,-0.9 -1,-0.2 0.840 84.2 58.3 -67.9 -34.2 48.9 20.8 34.8 418 442 A A H > S+ 0 0 3 -57,-0.5 4,-2.3 2,-0.2 -1,-0.2 0.924 104.9 51.5 -54.5 -45.6 47.9 19.4 31.3 419 443 A H H > S+ 0 0 15 1,-0.2 4,-2.0 2,-0.2 -2,-0.2 0.901 109.8 50.5 -63.7 -36.5 51.5 18.1 30.9 420 444 A L H X S+ 0 0 0 -4,-1.6 4,-2.0 2,-0.2 -1,-0.2 0.899 108.3 51.5 -63.9 -42.4 51.3 16.4 34.2 421 445 A C H < S+ 0 0 0 -4,-2.2 4,-0.4 1,-0.2 -2,-0.2 0.894 110.6 48.5 -68.4 -36.6 48.0 14.7 33.3 422 446 A I H >< S+ 0 0 0 -4,-2.3 3,-1.0 1,-0.2 -1,-0.2 0.930 112.1 47.9 -65.8 -43.8 49.4 13.4 30.1 423 447 A A H 3< S+ 0 0 2 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.824 118.1 40.8 -67.6 -32.4 52.6 12.0 31.8 424 448 A G T 3< S+ 0 0 0 -4,-2.0 2,-0.3 -5,-0.2 -76,-0.3 0.297 103.5 77.1-105.2 13.2 50.7 10.3 34.6 425 449 A S < - 0 0 0 -3,-1.0 -76,-0.2 -4,-0.4 -80,-0.2 -0.937 63.0-147.6-119.7 144.0 47.7 8.9 32.7 426 450 A H S S+ 0 0 60 -78,-2.2 2,-0.3 -81,-1.3 -77,-0.2 0.529 89.7 33.1 -82.2 -8.7 47.4 5.8 30.5 427 451 A A - 0 0 0 -79,-0.5 -77,-2.4 -82,-0.1 2,-0.4 -0.987 58.8-174.0-148.0 142.9 44.7 7.6 28.3 428 452 A V E -hi 350 455A 1 26,-2.7 28,-2.4 -2,-0.3 2,-0.3 -0.998 17.7-172.7-131.1 127.9 44.0 11.1 27.2 429 453 A N E -hi 351 456A 1 -79,-2.1 -77,-2.3 -2,-0.4 28,-0.2 -0.953 18.9-147.3-128.5 147.0 40.9 12.0 25.3 430 454 A G E - i 0 457A 0 26,-1.3 28,-1.5 -2,-0.3 -77,-0.1 -0.492 27.4-122.6 -90.5-179.4 39.3 14.9 23.5 431 455 A V S S+ 0 0 2 1,-0.2 29,-2.5 -2,-0.2 2,-0.3 0.310 87.5 25.0-120.0 2.5 35.5 15.3 23.5 432 456 A A S > S- 0 0 0 27,-0.3 4,-3.0 1,-0.1 3,-0.3 -0.926 84.5-107.0-160.0 156.7 34.8 15.3 19.7 433 457 A R H > S+ 0 0 92 -2,-0.3 4,-1.9 1,-0.3 5,-0.1 0.832 117.5 45.2 -55.2 -42.6 36.6 13.9 16.8 434 458 A I H > S+ 0 0 34 236,-0.3 4,-2.7 2,-0.2 -1,-0.3 0.869 112.5 51.7 -73.7 -36.4 37.9 17.2 15.4 435 459 A H H > S+ 0 0 7 214,-0.4 4,-1.9 -3,-0.3 -2,-0.2 0.899 108.2 52.9 -65.3 -42.9 39.0 18.4 18.8 436 460 A S H X S+ 0 0 7 -4,-3.0 4,-1.2 2,-0.2 -2,-0.2 0.901 110.3 46.9 -58.7 -42.4 40.9 15.1 19.3 437 461 A E H >X S+ 0 0 79 -4,-1.9 4,-1.8 1,-0.2 3,-0.7 0.950 108.6 55.1 -63.1 -50.2 42.8 15.6 16.0 438 462 A I H 3X S+ 0 0 25 -4,-2.7 4,-1.8 1,-0.2 5,-0.4 0.862 105.8 52.8 -50.7 -36.6 43.5 19.2 16.9 439 463 A L H 3<>S+ 0 0 4 -4,-1.9 5,-1.8 1,-0.2 -1,-0.2 0.866 111.9 46.5 -64.4 -35.7 45.2 17.9 20.2 440 464 A K H <<5S+ 0 0 43 -4,-1.2 -2,-0.2 -3,-0.7 -1,-0.2 0.766 118.9 38.7 -80.0 -26.1 47.3 15.5 18.2 441 465 A K H <5S+ 0 0 133 -4,-1.8 -2,-0.2 -5,-0.1 -1,-0.2 0.650 129.1 14.1 -97.3 -21.0 48.4 18.0 15.6 442 466 A T T ><5S+ 0 0 80 -4,-1.8 3,-1.8 -5,-0.3 4,-0.3 0.462 122.9 18.7-125.5 -98.7 48.8 21.1 17.8 443 467 A I T 3 5S+ 0 0 64 -5,-0.4 -4,-0.1 1,-0.3 3,-0.1 0.711 133.2 30.9 -61.0 -26.9 49.1 21.5 21.6 444 468 A F T 3> S+ 0 0 93 -3,-1.8 4,-2.0 1,-0.2 5,-0.2 0.904 75.9 50.3 -58.6 -46.8 51.8 17.0 19.3 446 470 A D H > S+ 0 0 20 -4,-0.3 4,-1.6 2,-0.2 -1,-0.2 0.910 113.3 48.2 -56.1 -43.8 55.2 16.3 21.1 447 471 A F H > S+ 0 0 2 1,-0.2 4,-2.7 2,-0.2 -2,-0.2 0.890 109.0 52.5 -65.0 -45.9 53.3 14.0 23.6 448 472 A Y H < S+ 0 0 80 -4,-2.6 -1,-0.2 2,-0.2 -2,-0.2 0.839 106.9 51.8 -57.6 -39.8 51.5 12.2 20.9 449 473 A E H < S+ 0 0 79 -4,-2.0 -2,-0.2 -5,-0.2 -1,-0.2 0.885 113.1 47.6 -68.0 -35.3 54.8 11.4 19.1 450 474 A L H < S+ 0 0 26 -4,-1.6 -2,-0.2 1,-0.2 -1,-0.2 0.941 133.5 10.2 -65.4 -52.7 56.2 10.0 22.3 451 475 A E >< + 0 0 15 -4,-2.7 3,-1.9 1,-0.1 4,-0.4 -0.545 65.2 169.3-135.3 73.9 53.2 7.9 23.2 452 476 A P G > S+ 0 0 65 0, 0.0 3,-1.3 0, 0.0 -1,-0.1 0.804 74.4 67.3 -54.5 -31.4 50.7 7.6 20.3 453 477 A H G 3 S+ 0 0 139 1,-0.3 -5,-0.1 -5,-0.1 -2,-0.0 0.688 89.0 64.1 -71.8 -18.2 48.8 4.9 22.1 454 478 A K G < S+ 0 0 4 -3,-1.9 -26,-2.7 -27,-0.1 2,-0.5 0.724 82.6 92.7 -71.9 -24.0 47.5 7.2 24.9 455 479 A F E < +i 428 0A 24 -3,-1.3 2,-0.2 -4,-0.4 -26,-0.2 -0.661 48.8 153.2 -91.9 124.9 45.4 9.4 22.7 456 480 A Q E -i 429 0A 46 -28,-2.4 -26,-1.3 -2,-0.5 2,-0.3 -0.778 34.3-128.6-133.7 171.4 41.7 8.7 22.1 457 481 A N E +i 430 0A 48 -2,-0.2 2,-0.3 -28,-0.2 -26,-0.2 -0.964 17.9 177.2-121.4 145.7 38.5 10.4 21.2 458 482 A K - 0 0 1 -28,-1.5 2,-0.1 -2,-0.3 334,-0.1 -0.777 25.7-144.1-145.5 92.6 35.2 10.1 23.1 459 483 A T - 0 0 3 -2,-0.3 -27,-0.3 1,-0.1 -28,-0.1 -0.436 26.5-110.9 -60.3 133.6 32.7 12.3 21.5 460 484 A N - 0 0 10 -29,-2.5 2,-0.3 -2,-0.1 -1,-0.1 0.014 36.8-176.6 -59.0 166.8 30.4 13.9 24.1 461 485 A G - 0 0 1 328,-0.1 2,-0.3 330,-0.1 327,-0.3 -0.905 18.3-128.5-155.7 177.9 26.7 13.1 24.5 462 486 A I B -o 788 0F 5 325,-2.3 327,-2.7 -2,-0.3 328,-0.4 -0.899 33.5-101.3-130.5 155.7 23.6 14.1 26.6 463 487 A T > - 0 0 1 -2,-0.3 4,-2.3 325,-0.2 5,-0.2 -0.715 19.4-152.2 -83.7 125.6 21.2 12.0 28.5 464 488 A P H >>S+ 0 0 1 0, 0.0 5,-1.8 0, 0.0 4,-0.7 0.674 90.2 70.4 -71.7 -10.5 18.0 11.4 26.7 465 489 A R H >4>S+ 0 0 0 3,-0.2 5,-2.8 2,-0.2 3,-0.6 0.999 114.2 21.4 -63.5 -70.1 16.2 11.0 30.0 466 490 A R H 34>S+ 0 0 12 1,-0.2 5,-1.1 3,-0.2 -1,-0.1 0.885 127.0 52.5 -54.7 -45.5 16.5 14.7 31.1 467 491 A W H 3<5S+ 0 0 0 -4,-2.3 -1,-0.2 3,-0.2 -2,-0.2 0.492 130.7 3.7 -86.9 0.0 16.9 16.0 27.5 468 492 A L T S+ 0 0 32 0, 0.0 4,-2.8 0, 0.0 5,-0.2 0.858 75.6 63.3 -58.6 -40.7 7.0 14.6 27.1 474 498 A G H > S+ 0 0 24 1,-0.2 4,-1.7 2,-0.2 5,-0.2 0.925 109.6 36.7 -45.0 -57.4 5.0 15.7 24.0 475 499 A L H > S+ 0 0 6 -3,-0.3 4,-1.9 1,-0.2 5,-0.2 0.911 114.5 56.1 -70.2 -42.2 7.7 14.6 21.6 476 500 A A H X S+ 0 0 0 -4,-2.5 4,-2.4 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0.641 70.0 72.5 -53.4 -19.8 12.9 1.0 24.1 487 511 A Y G > S+ 0 0 1 -3,-0.3 3,-1.4 1,-0.2 -1,-0.3 0.785 76.5 80.0 -71.5 -23.3 14.6 4.0 22.5 488 512 A I G < S+ 0 0 0 -3,-2.1 -1,-0.2 1,-0.3 3,-0.2 0.810 111.3 22.0 -54.4 -29.3 14.8 5.8 25.9 489 513 A S G < S+ 0 0 16 -3,-1.0 -1,-0.3 -4,-0.2 -2,-0.2 0.159 130.8 46.0-125.0 21.0 17.8 3.7 26.8 490 514 A D X + 0 0 66 -3,-1.4 3,-1.3 -4,-0.2 -1,-0.2 -0.614 66.5 178.8-153.2 81.9 18.9 2.8 23.3 491 515 A L G > + 0 0 6 1,-0.3 3,-2.0 294,-0.2 294,-0.3 0.714 68.9 78.1 -70.5 -18.5 18.8 6.0 21.4 492 516 A D G > S+ 0 0 84 1,-0.3 3,-2.4 293,-0.3 -1,-0.3 0.856 77.2 76.1 -51.9 -36.6 20.0 4.5 18.1 493 517 A Q G X S+ 0 0 30 -3,-1.3 3,-1.6 1,-0.3 -1,-0.3 0.649 70.3 83.3 -53.8 -15.0 16.5 3.1 17.7 494 518 A L G X S+ 0 0 0 -3,-2.0 3,-2.3 1,-0.3 -1,-0.3 0.750 72.6 78.6 -62.1 -21.7 15.4 6.7 16.6 495 519 A R G X S+ 0 0 112 -3,-2.4 3,-2.8 1,-0.3 4,-0.3 0.867 78.2 69.7 -48.7 -39.1 16.7 5.7 13.1 496 520 A K G X S+ 0 0 108 -3,-1.6 3,-1.0 1,-0.3 -1,-0.3 0.725 84.1 73.4 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