==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=19-FEB-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 30-JUL-00 1GG8 . COMPND 2 MOLECULE: PROTEIN (GLYCOGEN PHOSPHORYLASE); . SOURCE 2 ORGANISM_SCIENTIFIC: ORYCTOLAGUS CUNICULUS; . AUTHOR K.A.WATSON,E.P.MITCHELL,L.N.JOHNSON,J.C.SON,C.J.BICHARD,M.G. . 830 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 32251.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 623 75.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 58 7.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 41 4.9 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 . 66 8.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 101 12.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 316 38.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 18 2.2 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 1 2 6 2 2 2 5 1 0 0 2 0 3 0 0 0 1 0 0 1 1 0 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 3 1 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 0 152 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -28.0 -1.9 10.7 30.0 2 14 A S - 0 0 32 3,-0.2 2,-0.8 487,-0.0 484,-0.1 -0.834 360.0 -70.0 152.5 177.4 1.4 9.7 28.4 3 15 A V S S+ 0 0 50 -2,-0.3 3,-0.1 1,-0.2 90,-0.1 -0.314 81.7 127.8 -95.1 54.3 3.9 6.9 29.1 4 16 A R S S- 0 0 35 -2,-0.8 90,-2.5 1,-0.4 91,-0.4 -0.025 84.7 -90.5 -91.1 26.5 5.1 8.5 32.4 5 17 A G - 0 0 12 88,-0.2 -1,-0.4 89,-0.1 2,-0.3 -0.303 61.6 -41.4 93.1-177.6 4.3 5.1 33.8 6 18 A L - 0 0 146 85,-0.3 2,-0.7 -3,-0.1 89,-0.4 -0.614 35.2-145.9 -88.6 145.4 1.2 3.4 35.3 7 19 A A - 0 0 43 -2,-0.3 5,-0.1 87,-0.1 -1,-0.1 -0.584 34.3-167.7-106.5 66.6 -1.1 5.2 37.7 8 20 A G > - 0 0 32 -2,-0.7 4,-1.7 1,-0.1 5,-0.2 -0.125 26.1-126.5 -57.2 151.0 -1.8 2.0 39.6 9 21 A V H > S+ 0 0 115 2,-0.2 4,-1.3 1,-0.2 5,-0.2 0.940 107.3 43.4 -63.1 -52.8 -4.7 1.8 42.2 10 22 A E H > S+ 0 0 160 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.874 116.3 48.4 -63.3 -39.1 -2.6 0.5 45.1 11 23 A N H > S+ 0 0 75 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.777 105.8 53.3 -77.6 -27.5 0.3 2.9 44.5 12 24 A V H X S+ 0 0 6 -4,-1.7 4,-1.9 2,-0.2 -1,-0.2 0.861 113.4 46.6 -73.0 -32.7 -1.6 6.1 44.1 13 25 A T H X S+ 0 0 77 -4,-1.3 4,-1.8 -5,-0.2 -2,-0.2 0.908 112.5 49.4 -71.9 -43.6 -3.3 5.4 47.5 14 26 A E H X S+ 0 0 80 -4,-2.0 4,-1.6 1,-0.2 -2,-0.2 0.889 110.0 51.7 -62.7 -40.2 0.1 4.5 49.0 15 27 A L H X S+ 0 0 6 -4,-2.1 4,-2.2 1,-0.2 -1,-0.2 0.935 107.2 53.2 -63.0 -46.4 1.6 7.7 47.7 16 28 A K H X S+ 0 0 49 -4,-1.9 4,-1.9 1,-0.2 -1,-0.2 0.898 109.0 46.4 -58.2 -45.6 -1.1 9.9 49.1 17 29 A K H X S+ 0 0 106 -4,-1.8 4,-2.3 1,-0.2 -1,-0.2 0.868 113.6 49.5 -68.8 -32.1 -0.9 8.6 52.7 18 30 A N H X S+ 0 0 14 -4,-1.6 4,-2.0 2,-0.2 -1,-0.2 0.832 107.0 55.3 -73.7 -29.1 2.9 8.9 52.6 19 31 A F H X S+ 0 0 4 -4,-2.2 4,-1.6 1,-0.2 -2,-0.2 0.907 112.2 44.4 -66.6 -38.9 2.5 12.5 51.3 20 32 A N H X S+ 0 0 63 -4,-1.9 4,-1.8 2,-0.2 5,-0.3 0.868 107.2 58.2 -73.6 -36.7 0.4 13.1 54.3 21 33 A R H >X>S+ 0 0 99 -4,-2.3 4,-2.8 1,-0.2 3,-0.7 0.987 111.5 42.0 -53.8 -61.1 2.7 11.4 56.7 22 34 A H H 3X>S+ 0 0 12 -4,-2.0 5,-2.7 1,-0.2 4,-1.1 0.819 109.2 56.6 -56.0 -39.7 5.6 13.7 55.7 23 35 A L H 3<5S+ 0 0 5 -4,-1.6 6,-2.1 3,-0.2 -1,-0.2 0.877 121.3 31.1 -61.5 -36.0 3.5 16.9 55.7 24 36 A H H > - 0 0 80 -2,-0.3 3,-2.9 -3,-0.1 4,-1.0 -0.972 35.5-102.3-132.2 147.8 -1.2 20.9 58.9 31 43 A R T 34 S+ 0 0 107 -2,-0.3 3,-0.2 1,-0.3 -1,-0.0 0.716 116.0 65.7 -39.3 -30.1 -3.2 21.4 55.7 32 44 A N T 34 S+ 0 0 146 1,-0.2 -1,-0.3 3,-0.0 -3,-0.0 0.598 113.7 25.5 -75.9 -10.9 -4.4 24.8 57.0 33 45 A V T <4 S+ 0 0 84 -3,-2.9 -1,-0.2 2,-0.1 -2,-0.2 0.355 90.8 122.6-129.9 0.8 -1.1 26.5 57.0 34 46 A A < - 0 0 17 -4,-1.0 -11,-0.0 -3,-0.2 -5,-0.0 -0.457 43.7-160.4 -70.2 134.9 0.8 24.5 54.3 35 47 A T >> - 0 0 64 -2,-0.2 4,-2.3 1,-0.1 3,-1.0 -0.635 37.6 -94.7-109.8 168.0 2.1 26.5 51.4 36 48 A P H 3> S+ 0 0 64 0, 0.0 4,-2.4 0, 0.0 5,-0.2 0.880 126.6 57.2 -51.0 -37.2 3.1 25.3 47.9 37 49 A R H 3> S+ 0 0 74 2,-0.2 4,-1.8 1,-0.2 5,-0.1 0.866 106.7 47.8 -62.8 -35.3 6.7 25.1 49.2 38 50 A D H <> S+ 0 0 19 -3,-1.0 4,-2.4 2,-0.2 -1,-0.2 0.940 110.6 51.4 -69.0 -46.6 5.6 22.7 51.9 39 51 A Y H X S+ 0 0 21 -4,-2.3 4,-2.1 1,-0.2 -2,-0.2 0.871 107.1 54.3 -57.0 -39.8 3.7 20.6 49.4 40 52 A Y H X S+ 0 0 7 -4,-2.4 4,-2.9 -5,-0.2 -1,-0.2 0.949 110.1 46.4 -60.4 -48.8 6.7 20.4 47.3 41 53 A F H X S+ 0 0 26 -4,-1.8 4,-2.6 2,-0.2 -2,-0.2 0.849 108.5 54.1 -64.0 -36.1 8.8 19.1 50.2 42 54 A A H X S+ 0 0 0 -4,-2.4 4,-1.8 2,-0.2 -1,-0.2 0.940 113.1 44.6 -63.2 -44.9 6.2 16.5 51.2 43 55 A L H X S+ 0 0 6 -4,-2.1 4,-2.6 2,-0.2 5,-0.3 0.944 111.5 52.5 -63.0 -48.5 6.2 15.1 47.7 44 56 A A H X S+ 0 0 0 -4,-2.9 4,-2.8 1,-0.2 -2,-0.2 0.913 111.8 45.7 -56.0 -44.4 10.0 15.2 47.5 45 57 A H H X S+ 0 0 35 -4,-2.6 4,-1.3 1,-0.2 -1,-0.2 0.854 111.9 52.7 -67.6 -32.9 10.3 13.2 50.7 46 58 A T H X S+ 0 0 2 -4,-1.8 4,-0.6 -5,-0.2 -2,-0.2 0.857 113.1 43.1 -69.2 -37.3 7.7 10.8 49.5 47 59 A V H >X S+ 0 0 2 -4,-2.6 3,-1.1 1,-0.2 4,-0.5 0.902 109.7 56.7 -74.7 -41.9 9.6 10.3 46.2 48 60 A R H >X S+ 0 0 56 -4,-2.8 3,-1.0 1,-0.3 4,-0.7 0.816 97.1 65.1 -58.1 -32.8 12.9 10.0 48.0 49 61 A D H >X S+ 0 0 48 -4,-1.3 4,-0.7 1,-0.2 3,-0.7 0.852 94.2 60.5 -58.6 -37.6 11.5 7.2 50.1 50 62 A H H << S+ 0 0 45 -3,-1.1 4,-0.4 -4,-0.6 -1,-0.2 0.705 106.8 43.2 -68.5 -20.4 11.2 5.0 47.0 51 63 A L H S+ 0 0 31 -4,-0.4 4,-2.5 2,-0.2 172,-0.4 0.862 111.6 57.3 -71.8 -38.0 17.3 0.5 46.0 55 67 A W H X S+ 0 0 21 -4,-2.4 4,-2.1 1,-0.2 5,-0.2 0.919 108.2 47.5 -57.9 -46.4 20.2 2.8 47.1 56 68 A I H X S+ 0 0 104 -4,-2.6 4,-2.1 1,-0.2 -1,-0.2 0.904 114.6 43.8 -66.0 -43.4 21.0 0.4 50.0 57 69 A R H X S+ 0 0 55 -4,-1.6 4,-2.7 -5,-0.2 -1,-0.2 0.840 110.9 55.3 -73.3 -31.8 20.9 -2.8 48.0 58 70 A T H X S+ 0 0 0 -4,-2.5 4,-2.2 2,-0.2 5,-0.2 0.981 112.9 41.6 -61.4 -55.3 22.8 -1.3 45.1 59 71 A Q H X S+ 0 0 49 -4,-2.1 4,-1.2 1,-0.2 -2,-0.2 0.874 115.4 49.9 -59.3 -41.3 25.7 -0.3 47.4 60 72 A Q H X S+ 0 0 91 -4,-2.1 4,-2.2 -5,-0.2 3,-0.2 0.915 108.3 56.0 -64.2 -40.6 25.5 -3.6 49.3 61 73 A H H X S+ 0 0 68 -4,-2.7 4,-2.7 1,-0.3 5,-0.5 0.940 104.8 49.5 -55.3 -53.7 25.6 -5.4 46.0 62 74 A Y H X S+ 0 0 10 -4,-2.2 4,-1.5 1,-0.2 -1,-0.3 0.795 109.6 54.4 -58.3 -29.0 28.8 -3.8 44.9 63 75 A Y H < S+ 0 0 121 -4,-1.2 -1,-0.2 -3,-0.2 -2,-0.2 0.907 113.1 41.2 -72.8 -40.0 30.2 -4.7 48.3 64 76 A E H < S+ 0 0 115 -4,-2.2 -2,-0.2 -3,-0.2 -3,-0.1 0.977 124.2 34.1 -69.4 -58.9 29.3 -8.4 47.8 65 77 A K H < S- 0 0 152 -4,-2.7 -3,-0.2 -5,-0.1 -2,-0.2 0.822 90.8-154.4 -68.4 -33.7 30.3 -8.8 44.2 66 78 A D < + 0 0 13 -4,-1.5 -3,-0.1 -5,-0.5 -4,-0.1 0.956 21.6 177.5 59.1 59.0 33.2 -6.4 44.4 67 79 A P - 0 0 49 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 -0.240 44.0 -69.1 -83.8 178.9 33.5 -5.2 40.7 68 80 A K - 0 0 48 746,-0.1 2,-0.4 253,-0.1 73,-0.4 -0.504 56.3-135.8 -68.1 135.3 35.9 -2.7 39.3 69 81 A R E -a 321 0A 19 251,-2.7 253,-1.6 -2,-0.2 2,-0.5 -0.820 8.7-148.9-101.1 132.3 34.9 0.8 40.7 70 82 A I E -ab 322 142A 1 71,-2.5 73,-3.2 -2,-0.4 2,-0.6 -0.858 9.0-165.8-101.5 128.5 34.8 3.9 38.6 71 83 A Y E -ab 323 143A 3 251,-3.2 253,-2.6 -2,-0.5 2,-0.9 -0.938 2.8-163.2-117.5 111.8 35.6 7.3 40.3 72 84 A Y E -ab 324 144A 1 71,-2.8 73,-2.1 -2,-0.6 2,-0.5 -0.786 9.2-165.0 -98.2 96.3 34.7 10.4 38.4 73 85 A L E +ab 325 145A 1 251,-1.7 253,-2.3 -2,-0.9 2,-0.3 -0.699 22.6 149.6 -84.9 124.0 36.5 13.3 39.9 74 86 A S - 0 0 1 71,-1.9 73,-0.3 -2,-0.5 253,-0.1 -0.984 46.7-144.4-155.1 139.7 35.2 16.7 38.9 75 87 A L S S+ 0 0 0 251,-0.4 2,-0.4 -2,-0.3 72,-0.1 0.461 90.6 55.1 -82.8 -1.3 35.1 20.1 40.6 76 88 A E + 0 0 8 48,-0.1 2,-0.3 250,-0.1 44,-0.2 -0.995 49.0 169.8-138.5 142.5 31.7 20.7 38.9 77 89 A F E -J 119 0B 3 42,-2.9 2,-1.5 -2,-0.4 42,-0.7 -0.818 15.4-163.7-148.5 97.9 28.4 18.8 38.8 78 90 A Y E +J 118 0B 16 47,-1.6 40,-0.2 -2,-0.3 51,-0.1 -0.631 24.8 159.8 -87.5 81.7 25.7 20.8 37.2 79 91 A M - 0 0 33 -2,-1.5 -1,-0.2 38,-0.9 39,-0.2 0.779 20.4-166.8 -77.5 -31.9 22.7 18.8 38.4 80 92 A G - 0 0 0 37,-1.2 37,-0.5 2,-0.0 -1,-0.1 -0.312 55.1 -18.4 70.4-164.2 19.7 21.1 38.1 81 93 A R - 0 0 29 35,-0.2 4,-0.1 33,-0.1 35,-0.1 -0.340 56.5-165.1 -71.1 158.3 16.4 20.0 39.9 82 94 A T > + 0 0 30 3,-0.1 4,-1.3 2,-0.1 5,-0.1 0.428 63.1 84.7-127.6 4.8 16.0 16.4 40.8 83 95 A L H > S+ 0 0 0 2,-0.2 4,-1.9 28,-0.1 5,-0.1 0.984 97.9 36.9 -71.2 -57.0 12.4 15.7 41.7 84 96 A Q H > S+ 0 0 35 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.932 114.4 55.7 -60.9 -48.0 11.0 15.0 38.2 85 97 A N H > S+ 0 0 18 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.880 108.5 49.4 -52.7 -40.6 14.1 13.2 37.0 86 98 A T H X S+ 0 0 5 -4,-1.3 4,-1.0 2,-0.2 -1,-0.2 0.905 110.0 49.9 -66.6 -42.0 13.8 10.8 39.9 87 99 A M H ><>S+ 0 0 0 -4,-1.9 5,-3.1 1,-0.2 6,-0.7 0.931 111.6 50.2 -60.5 -45.6 10.1 10.2 39.1 88 100 A V H ><5S+ 0 0 2 -4,-2.9 3,-1.3 1,-0.2 -2,-0.2 0.941 110.9 46.3 -58.2 -52.2 11.0 9.5 35.5 89 101 A N H 3<5S+ 0 0 1 -4,-2.4 133,-2.2 1,-0.3 135,-0.3 0.631 117.7 44.9 -68.2 -14.2 13.8 7.0 36.3 90 102 A L T <<5S- 0 0 19 -4,-1.0 -1,-0.3 -3,-0.5 -2,-0.2 0.316 110.2-119.7-109.7 2.0 11.6 5.2 38.8 91 103 A A T < 5S+ 0 0 33 -3,-1.3 -85,-0.3 -4,-0.4 -3,-0.2 0.852 79.1 122.2 60.2 37.6 8.5 5.2 36.6 92 104 A L >< + 0 0 15 -5,-3.1 4,-2.9 -6,-0.2 5,-0.3 0.509 33.8 98.3-105.7 -10.7 6.6 7.2 39.2 93 105 A E H > S+ 0 0 3 -6,-0.7 4,-2.1 1,-0.2 -88,-0.2 0.846 87.1 39.7 -49.7 -50.0 5.6 10.3 37.2 94 106 A N H > S+ 0 0 6 -90,-2.5 4,-2.9 2,-0.2 -1,-0.2 0.888 116.2 51.7 -70.1 -39.7 2.0 9.4 36.4 95 107 A A H > S+ 0 0 3 -89,-0.4 4,-2.8 -91,-0.4 -2,-0.2 0.933 113.6 44.2 -61.5 -46.3 1.3 7.9 39.8 96 108 A C H X S+ 0 0 2 -4,-2.9 4,-2.6 1,-0.2 5,-0.3 0.886 112.9 52.4 -64.9 -40.2 2.6 11.1 41.5 97 109 A D H X S+ 0 0 41 -4,-2.1 4,-1.4 -5,-0.3 10,-0.2 0.926 113.3 43.8 -61.1 -47.0 0.7 13.2 39.1 98 110 A E H >X S+ 0 0 58 -4,-2.9 4,-2.6 2,-0.2 3,-0.6 0.987 114.5 48.0 -61.0 -61.4 -2.5 11.3 39.8 99 111 A A H 3X S+ 0 0 4 -4,-2.8 4,-1.4 1,-0.3 -2,-0.2 0.862 112.9 47.2 -47.9 -47.7 -2.0 11.2 43.6 100 112 A T H 3<>S+ 0 0 2 -4,-2.6 5,-3.5 1,-0.2 -1,-0.3 0.824 110.9 54.2 -67.2 -30.0 -1.2 14.9 43.9 101 113 A Y H X<5S+ 0 0 163 -4,-1.4 3,-2.2 -3,-0.6 -2,-0.2 0.945 107.4 48.5 -66.4 -49.1 -4.2 15.7 41.7 102 114 A Q H 3<5S+ 0 0 96 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.780 107.3 56.6 -61.6 -27.0 -6.5 13.7 44.0 103 115 A L T 3<5S- 0 0 27 -4,-1.4 -1,-0.3 -5,-0.3 -2,-0.2 0.428 124.8-110.8 -82.3 -0.2 -4.9 15.7 46.9 104 116 A G T < 5S+ 0 0 64 -3,-2.2 2,-0.3 1,-0.2 -3,-0.2 0.744 77.1 121.8 77.9 25.9 -6.1 18.7 44.9 105 117 A L < - 0 0 29 -5,-3.5 2,-0.8 -6,-0.1 -1,-0.2 -0.890 62.3-124.1-124.3 154.3 -2.6 20.0 43.9 106 118 A D >> - 0 0 89 -2,-0.3 4,-1.7 1,-0.2 3,-0.6 -0.829 15.2-160.3 -97.0 106.7 -0.8 20.7 40.6 107 119 A M H 3> S+ 0 0 2 -2,-0.8 4,-2.5 1,-0.3 5,-0.2 0.876 91.5 55.7 -53.0 -42.6 2.4 18.7 40.4 108 120 A E H 3> S+ 0 0 94 1,-0.2 4,-1.0 2,-0.2 -1,-0.3 0.882 105.9 51.8 -59.2 -38.6 3.9 21.0 37.7 109 121 A E H <4 S+ 0 0 114 -3,-0.6 -1,-0.2 1,-0.2 -2,-0.2 0.858 111.8 46.2 -66.5 -36.3 3.3 24.0 40.0 110 122 A L H >X S+ 0 0 0 -4,-1.7 3,-2.0 1,-0.2 4,-0.5 0.869 104.9 60.8 -72.4 -39.0 5.2 22.2 42.9 111 123 A E H >< S+ 0 0 16 -4,-2.5 3,-0.7 1,-0.3 -1,-0.2 0.788 96.1 62.6 -58.5 -30.2 8.0 21.1 40.6 112 124 A E T 3< S+ 0 0 71 -4,-1.0 -1,-0.3 1,-0.2 -2,-0.2 0.572 93.3 65.1 -72.9 -10.5 8.7 24.8 39.9 113 125 A I T <4 S+ 0 0 36 -3,-2.0 -1,-0.2 -4,-0.1 -2,-0.2 0.732 75.8 101.8 -85.6 -24.6 9.5 25.3 43.6 114 126 A E S << S- 0 0 11 -3,-0.7 2,-0.2 -4,-0.5 -33,-0.1 -0.410 73.5-126.5 -65.1 131.1 12.6 23.1 43.7 115 127 A E - 0 0 61 -2,-0.2 2,-0.1 55,-0.2 -1,-0.1 -0.548 25.4-109.3 -79.9 140.8 15.9 25.1 43.6 116 128 A D - 0 0 13 -2,-0.2 2,-1.5 -35,-0.1 -35,-0.2 -0.393 18.2-129.4 -67.4 142.0 18.5 24.1 40.9 117 129 A A - 0 0 11 -37,-0.5 2,-1.5 1,-0.1 -37,-1.2 -0.676 33.7-180.0 -91.5 81.6 21.6 22.4 42.1 118 130 A G E +J 78 0B 3 -2,-1.5 35,-2.6 -39,-0.2 2,-0.9 -0.243 25.5 141.9 -81.6 51.5 23.9 24.9 40.2 119 131 A L E +J 77 0B 4 -2,-1.5 -42,-2.9 -42,-0.7 2,-0.3 -0.162 60.4 55.1 -86.2 45.4 27.2 23.4 41.2 120 132 A G S S- 0 0 0 -2,-0.9 33,-0.3 -44,-0.2 3,-0.1 -0.972 70.0-133.1-162.6 169.7 28.8 24.0 37.8 121 133 A N - 0 0 4 -2,-0.3 2,-0.2 149,-0.1 475,-0.2 0.821 68.7 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5,-2.9 3,-0.2 4,-0.7 0.939 117.9 43.7 -68.7 -46.6 50.3 7.9 49.7 341 353 A L H <5S+ 0 0 0 -4,-2.0 6,-2.6 3,-0.2 -2,-0.2 0.913 126.9 30.3 -65.2 -43.8 51.8 4.9 47.9 342 354 A V H <5S+ 0 0 28 -4,-3.6 4,-0.4 4,-0.3 -3,-0.2 0.961 129.1 33.1 -81.4 -57.0 55.4 6.0 48.4 343 355 A D H <5S+ 0 0 10 -4,-1.5 -3,-0.2 -5,-0.4 -2,-0.1 0.908 134.2 22.9 -68.9 -44.8 55.4 8.0 51.7 344 356 A L T < - 0 0 90 -2,-0.2 4,-2.5 1,-0.1 5,-0.2 -0.488 36.1-107.8 -77.3 155.6 59.2 1.8 45.6 349 361 A W H > S+ 0 0 38 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.928 115.5 47.1 -45.3 -61.2 58.9 4.7 43.2 350 362 A D H > S+ 0 0 98 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.837 112.6 46.7 -54.7 -42.6 58.6 2.6 40.0 351 363 A K H > S+ 0 0 36 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.929 115.0 49.5 -66.4 -42.2 56.0 0.1 41.3 352 364 A A H X S+ 0 0 0 -4,-2.5 4,-2.7 1,-0.2 -2,-0.2 0.895 110.7 48.6 -61.7 -43.9 54.0 3.1 42.6 353 365 A W H X S+ 0 0 55 -4,-2.9 4,-2.7 -5,-0.2 5,-0.3 0.876 108.4 54.0 -65.3 -39.2 54.3 5.0 39.3 354 366 A E H X S+ 0 0 95 -4,-2.0 4,-1.7 -5,-0.2 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-4,-2.7 4,-1.6 -5,-0.3 3,-0.3 -0.533 67.5 167.4-137.8 70.4 51.8 21.5 49.2 385 397 A P H > S+ 0 0 19 0, 0.0 4,-1.3 0, 0.0 -1,-0.1 0.752 78.0 47.9 -53.0 -37.8 55.6 21.2 49.6 386 398 A R H > S+ 0 0 27 2,-0.2 4,-1.7 1,-0.2 5,-0.1 0.857 108.5 54.0 -77.4 -34.1 55.8 17.4 49.2 387 399 A H H > S+ 0 0 0 -3,-0.3 4,-2.3 1,-0.2 -1,-0.2 0.864 106.1 53.7 -66.0 -35.5 53.6 17.4 46.1 388 400 A L H X S+ 0 0 11 -4,-1.6 4,-2.2 -8,-0.3 -1,-0.2 0.920 108.5 49.5 -64.2 -42.8 56.0 19.9 44.5 389 401 A Q H X S+ 0 0 66 -4,-1.3 4,-1.1 1,-0.2 -1,-0.2 0.836 111.7 48.5 -63.2 -36.8 58.9 17.6 45.2 390 402 A I H X S+ 0 0 1 -4,-1.7 4,-1.9 2,-0.2 -1,-0.2 0.879 109.6 52.6 -71.3 -39.2 57.1 14.6 43.7 391 403 A I H X S+ 0 0 0 -4,-2.3 4,-2.4 1,-0.2 -2,-0.2 0.885 107.5 51.1 -64.0 -40.7 56.2 16.7 40.6 392 404 A Y H X S+ 0 0 72 -4,-2.2 4,-2.0 1,-0.2 -1,-0.2 0.827 112.1 48.1 -65.5 -32.5 59.8 17.6 40.1 393 405 A E H X S+ 0 0 47 -4,-1.1 4,-1.9 2,-0.2 -2,-0.2 0.790 109.9 50.6 -78.1 -32.1 60.7 13.9 40.3 394 406 A I H X S+ 0 0 3 -4,-1.9 4,-2.4 2,-0.2 -2,-0.2 0.932 113.4 47.1 -69.2 -43.9 58.0 12.9 37.9 395 407 A N H X S+ 0 0 16 -4,-2.4 4,-2.9 2,-0.2 5,-0.3 0.911 109.4 54.1 -61.7 -45.6 59.3 15.6 35.5 396 408 A Q H X S+ 0 0 117 -4,-2.0 4,-1.1 1,-0.2 -1,-0.2 0.923 113.4 40.9 -56.1 -49.9 62.9 14.4 35.9 397 409 A R H X S+ 0 0 96 -4,-1.9 4,-1.1 2,-0.2 -1,-0.2 0.884 115.6 50.7 -68.1 -40.0 62.1 10.8 35.0 398 410 A F H >X S+ 0 0 10 -4,-2.4 4,-2.2 1,-0.2 3,-1.3 0.967 108.3 50.9 -62.4 -54.9 59.7 11.8 32.2 399 411 A L H 3X S+ 0 0 31 -4,-2.9 4,-3.0 1,-0.3 -1,-0.2 0.810 106.1 57.0 -55.0 -30.2 62.2 14.1 30.6 400 412 A N H 3X S+ 0 0 110 -4,-1.1 4,-1.7 -5,-0.3 -1,-0.3 0.842 104.6 51.9 -70.2 -30.7 64.8 11.4 30.7 401 413 A R H X S+ 0 0 0 -4,-2.2 4,-3.3 1,-0.2 3,-1.0 0.963 109.4 51.2 -59.2 -55.4 62.1 12.0 26.2 403 415 A A H 3< S+ 0 0 38 -4,-3.0 -1,-0.2 1,-0.3 -2,-0.2 0.868 110.8 50.8 -51.6 -38.9 65.8 12.6 25.9 404 416 A A H 3< S+ 0 0 80 -4,-1.7 -1,-0.3 1,-0.2 -2,-0.2 0.779 115.2 41.2 -72.2 -26.8 66.3 8.8 25.3 405 417 A A H << S+ 0 0 53 -4,-1.4 -2,-0.2 -3,-1.0 -1,-0.2 0.823 126.9 31.8 -89.2 -34.2 63.7 8.7 22.6 406 418 A F S >< S- 0 0 47 -4,-3.3 3,-1.9 -5,-0.2 -1,-0.2 -0.598 85.0-159.6-124.4 70.7 64.7 12.0 20.9 407 419 A P T 3 S+ 0 0 108 0, 0.0 -3,-0.1 0, 0.0 3,-0.1 -0.262 76.1 6.4 -53.5 118.7 68.5 12.2 21.4 408 420 A G T 3 S+ 0 0 75 1,-0.2 2,-2.2 -5,-0.1 3,-0.2 0.242 86.0 130.0 92.3 -15.5 69.7 15.8 21.0 409 421 A D <> + 0 0 58 -3,-1.9 4,-1.3 1,-0.2 -1,-0.2 -0.514 25.7 166.1 -76.0 82.7 66.3 17.4 20.7 410 422 A V H > + 0 0 112 -2,-2.2 4,-1.2 1,-0.2 -1,-0.2 0.742 69.5 52.3 -71.8 -26.8 66.9 20.0 23.3 411 423 A D H > S+ 0 0 68 2,-0.2 4,-2.2 -3,-0.2 -1,-0.2 0.833 104.3 56.8 -79.4 -30.9 63.9 22.2 22.4 412 424 A R H > S+ 0 0 15 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.911 102.9 57.5 -62.6 -40.7 61.6 19.3 22.6 413 425 A L H X S+ 0 0 48 -4,-1.3 4,-1.4 1,-0.2 -1,-0.2 0.934 109.9 41.1 -55.5 -51.7 62.8 18.9 26.2 414 426 A R H < S+ 0 0 162 -4,-1.2 -1,-0.2 1,-0.2 -2,-0.2 0.859 114.6 53.3 -67.2 -34.5 61.9 22.4 27.3 415 427 A R H < S+ 0 0 78 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-48,-2.1 -3,-0.1 -47,-0.4 -0.532 42.3-175.6 -73.9 145.7 58.0 29.3 37.2 426 438 A R E -NO 376 420F 85 -6,-1.6 -6,-2.4 -50,-0.3 2,-0.5 -0.887 26.4-124.3-137.2 165.9 54.8 27.5 36.8 427 439 A I E -NO 375 419F 0 -52,-1.8 -52,-1.5 -2,-0.3 2,-1.1 -0.974 21.1-139.7-115.0 124.0 53.6 23.9 36.7 428 440 A N E >> -N 374 0F 8 -10,-2.9 4,-1.6 -2,-0.5 3,-0.6 -0.736 14.0-165.7 -85.7 101.2 51.7 22.9 33.5 429 441 A M H 3> S+ 0 0 0 -56,-2.1 4,-2.3 -2,-1.1 -1,-0.2 0.832 83.5 58.6 -57.3 -35.5 49.0 20.7 34.9 430 442 A A H 3> S+ 0 0 0 -57,-0.4 4,-2.1 1,-0.2 -1,-0.2 0.871 104.8 50.2 -64.2 -37.8 48.0 19.3 31.5 431 443 A H H <> S+ 0 0 18 -3,-0.6 4,-2.3 2,-0.2 -1,-0.2 0.901 109.1 53.1 -66.2 -38.6 51.5 18.0 31.0 432 444 A L H X S+ 0 0 0 -4,-1.6 4,-2.1 1,-0.2 -2,-0.2 0.926 108.7 49.6 -58.8 -49.8 51.3 16.4 34.4 433 445 A C H X S+ 0 0 0 -4,-2.3 4,-0.7 1,-0.2 -1,-0.2 0.898 109.8 49.9 -59.2 -44.6 48.1 14.7 33.5 434 446 A I H >< S+ 0 0 0 -4,-2.1 3,-0.7 1,-0.2 -1,-0.2 0.928 112.6 47.1 -63.2 -43.5 49.4 13.3 30.2 435 447 A A H 3< S+ 0 0 5 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.856 117.2 42.8 -66.6 -34.3 52.5 11.8 31.9 436 448 A G H 3< S+ 0 0 0 -4,-2.1 -76,-0.3 -5,-0.2 2,-0.3 0.356 104.2 72.3 -97.3 6.8 50.6 10.3 34.8 437 449 A S << - 0 0 0 -3,-0.7 -76,-0.2 -4,-0.7 -79,-0.1 -0.825 65.6-143.1-119.3 158.5 47.6 8.8 32.9 438 450 A H S S+ 0 0 59 -78,-2.4 2,-0.3 -81,-0.6 -77,-0.2 0.367 89.1 32.8 -99.8 4.1 47.2 5.8 30.5 439 451 A A - 0 0 1 -79,-0.4 -77,-2.3 -82,-0.1 2,-0.4 -0.915 57.6-172.7-162.8 132.2 44.7 7.6 28.3 440 452 A V E -hi 362 467A 0 26,-2.7 28,-2.8 -2,-0.3 2,-0.3 -0.993 19.5-174.4-126.0 130.6 44.1 11.1 27.3 441 453 A N E -hi 363 468A 0 -79,-1.8 -77,-2.4 -2,-0.4 28,-0.3 -0.938 20.3-141.7-134.4 155.1 41.0 11.9 25.3 442 454 A G E - i 0 469A 0 26,-1.2 28,-1.7 -2,-0.3 -77,-0.1 -0.500 24.3-125.4 -99.1 174.9 39.3 14.8 23.5 443 455 A V S S+ 0 0 2 1,-0.2 29,-2.6 -2,-0.2 2,-0.3 0.372 88.6 21.2-109.0 6.2 35.5 15.4 23.5 444 456 A A S > S- 0 0 0 27,-0.3 4,-2.8 1,-0.1 5,-0.2 -0.940 85.2-105.0-164.3 152.8 34.8 15.5 19.8 445 457 A R H > S+ 0 0 91 -2,-0.3 4,-2.0 1,-0.2 5,-0.2 0.886 117.5 43.8 -52.8 -50.2 36.7 14.1 16.8 446 458 A I H > S+ 0 0 34 236,-0.4 4,-2.5 2,-0.2 -1,-0.2 0.928 114.1 50.6 -63.9 -44.8 38.1 17.3 15.4 447 459 A H H > S+ 0 0 4 214,-0.5 4,-1.5 1,-0.2 -2,-0.2 0.926 110.5 49.9 -57.2 -47.7 39.1 18.5 18.9 448 460 A S H X S+ 0 0 4 -4,-2.8 4,-1.6 1,-0.2 -1,-0.2 0.882 110.9 48.8 -60.1 -39.8 40.9 15.2 19.6 449 461 A E H X S+ 0 0 66 -4,-2.0 4,-2.5 -5,-0.2 5,-0.3 0.908 107.5 55.7 -67.0 -39.1 42.7 15.5 16.2 450 462 A I H X>S+ 0 0 29 -4,-2.5 4,-2.7 1,-0.2 5,-0.5 0.816 104.2 54.5 -62.0 -31.3 43.7 19.1 17.1 451 463 A L H <>S+ 0 0 4 -4,-1.5 5,-2.4 2,-0.2 -1,-0.2 0.928 112.4 42.5 -67.3 -44.9 45.3 17.8 20.3 452 464 A K H <5S+ 0 0 39 -4,-1.6 -2,-0.2 1,-0.2 -1,-0.2 0.834 121.5 40.4 -68.9 -37.5 47.4 15.3 18.4 453 465 A K H <5S+ 0 0 122 -4,-2.5 -2,-0.2 -5,-0.1 -3,-0.2 0.831 133.1 3.9 -82.9 -35.3 48.3 17.8 15.7 454 466 A T T ><5S+ 0 0 94 -4,-2.7 3,-2.1 -5,-0.3 4,-0.3 0.636 122.6 31.3-113.4 -97.0 48.8 20.9 17.7 455 467 A I T 3 S+ 0 0 101 -3,-2.1 4,-2.1 1,-0.2 5,-0.2 0.903 73.5 49.5 -50.6 -53.6 51.9 17.0 19.4 458 470 A D H > S+ 0 0 21 -4,-0.3 4,-1.3 1,-0.2 -1,-0.2 0.857 112.4 49.1 -56.0 -39.1 55.2 16.2 21.2 459 471 A F H > S+ 0 0 3 -3,-0.3 4,-2.6 2,-0.2 -1,-0.2 0.855 108.5 53.2 -69.9 -36.9 53.4 14.0 23.7 460 472 A Y H < S+ 0 0 83 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.863 107.5 51.5 -65.9 -37.5 51.5 12.2 20.9 461 473 A E H < S+ 0 0 73 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.846 112.9 46.1 -68.1 -34.0 54.8 11.4 19.2 462 474 A L H < S+ 0 0 28 -4,-1.3 -2,-0.2 1,-0.2 -1,-0.2 0.917 134.4 10.0 -74.1 -48.6 56.2 10.0 22.4 463 475 A E >X + 0 0 16 -4,-2.6 3,-1.2 1,-0.1 4,-0.5 -0.672 64.6 168.9-137.1 82.3 53.2 7.8 23.4 464 476 A P T 34 S+ 0 0 64 0, 0.0 3,-0.5 0, 0.0 -1,-0.1 0.756 74.2 68.3 -63.9 -25.4 50.6 7.6 20.5 465 477 A H T 34 S+ 0 0 135 1,-0.2 -5,-0.1 -5,-0.1 -2,-0.0 0.715 90.2 63.4 -68.7 -21.7 48.7 4.9 22.3 466 478 A K T <4 S+ 0 0 6 -3,-1.2 -26,-2.7 -27,-0.1 2,-0.3 0.858 84.8 87.0 -71.7 -36.6 47.6 7.3 25.1 467 479 A F E < +i 440 0A 21 -4,-0.5 2,-0.2 -3,-0.5 -26,-0.2 -0.511 50.8 146.5 -77.8 128.4 45.5 9.5 22.9 468 480 A Q E -i 441 0A 47 -28,-2.8 -26,-1.2 -2,-0.3 2,-0.3 -0.758 35.9-124.8-140.1-176.0 41.9 8.7 22.1 469 481 A N E -i 442 0A 43 -28,-0.3 2,-0.3 -2,-0.2 -26,-0.2 -0.984 15.7-178.8-139.1 147.2 38.6 10.4 21.5 470 482 A K - 0 0 1 -28,-1.7 334,-0.1 -2,-0.3 -29,-0.0 -0.753 26.0-140.9-147.2 90.8 35.2 10.1 23.2 471 483 A T - 0 0 4 -2,-0.3 -27,-0.3 1,-0.1 -28,-0.1 -0.328 27.4-112.3 -58.0 133.1 32.7 12.4 21.6 472 484 A N - 0 0 10 -29,-2.6 2,-0.3 191,-0.1 -1,-0.1 0.018 37.1-177.7 -59.2 170.1 30.4 13.9 24.2 473 485 A G - 0 0 1 328,-0.1 2,-0.3 330,-0.0 327,-0.3 -0.918 17.2-130.2-158.2 176.8 26.7 13.1 24.5 474 486 A I B -p 800 0G 4 325,-2.4 327,-2.3 -2,-0.3 328,-0.4 -0.892 32.5 -95.7-133.9 163.4 23.7 14.1 26.6 475 487 A T > - 0 0 1 -2,-0.3 4,-2.4 325,-0.2 5,-0.1 -0.724 18.7-154.8 -88.2 124.4 21.1 12.1 28.5 476 488 A P T 4>S+ 0 0 1 0, 0.0 5,-2.0 0, 0.0 4,-0.4 0.663 90.9 65.8 -67.2 -14.7 17.9 11.3 26.6 477 489 A R I >4>S+ 0 0 0 3,-0.2 5,-2.8 2,-0.2 3,-0.6 0.990 115.5 21.2 -71.9 -63.3 16.1 11.0 30.0 478 490 A R I 34>S+ 0 0 13 1,-0.2 5,-1.2 3,-0.2 6,-0.1 0.930 128.9 50.3 -71.5 -40.9 16.4 14.6 31.2 479 491 A W I 3<5S+ 0 0 1 -4,-2.4 -1,-0.2 3,-0.2 -2,-0.2 0.323 130.8 6.2 -84.6 11.9 17.0 16.1 27.7 480 492 A L I <>5S+ 0 0 0 -3,-0.6 4,-2.8 -4,-0.4 8,-0.3 0.243 130.2 39.7-147.1 -74.4 14.0 14.4 26.0 481 493 A V I 4 S+ 0 0 40 0, 0.0 4,-2.4 0, 0.0 -482,-0.2 0.833 75.6 61.0 -62.5 -30.8 7.1 14.5 27.0 486 498 A G H > S+ 0 0 24 2,-0.2 4,-1.6 1,-0.2 5,-0.1 0.921 108.8 39.8 -62.5 -45.5 5.0 15.5 24.1 487 499 A L H > S+ 0 0 4 -3,-0.2 4,-1.8 1,-0.2 5,-0.2 0.929 114.8 53.8 -70.0 -43.8 7.7 14.7 21.5 488 500 A A H X S+ 0 0 6 -4,-2.4 4,-2.3 -8,-0.3 -2,-0.2 0.866 107.1 52.5 -58.2 -37.3 8.7 11.6 23.4 489 501 A E H X S+ 0 0 52 -4,-2.4 4,-2.0 2,-0.2 -1,-0.2 0.942 108.6 46.9 -66.1 -49.1 5.1 10.3 23.4 490 502 A I H X S+ 0 0 9 -4,-1.6 4,-0.7 2,-0.2 -1,-0.2 0.797 113.2 50.4 -65.0 -28.9 4.5 10.6 19.6 491 503 A I H >X S+ 0 0 1 -4,-1.8 4,-2.7 2,-0.2 3,-1.2 0.942 110.7 48.9 -71.2 -47.1 7.8 8.9 19.0 492 504 A A H 3X S+ 0 0 17 -4,-2.3 4,-1.9 1,-0.3 -2,-0.2 0.809 101.6 65.0 -60.1 -32.7 6.9 6.1 21.4 493 505 A E H 3< S+ 0 0 113 -4,-2.0 -1,-0.3 2,-0.2 -2,-0.2 0.811 114.6 30.1 -61.0 -31.3 3.5 5.8 19.6 494 506 A R H << S+ 0 0 58 -3,-1.2 -2,-0.2 -4,-0.7 -1,-0.2 0.879 137.1 17.9 -96.6 -46.2 5.3 4.7 16.5 495 507 A I H < S- 0 0 23 -4,-2.7 3,-0.3 1,-0.3 -3,-0.2 0.395 99.7-121.1-110.9 4.5 8.5 2.9 17.6 496 508 A G < - 0 0 32 -4,-1.9 -1,-0.3 -5,-0.4 3,-0.2 -0.428 35.6 -69.1 91.1-168.4 7.9 2.0 21.3 497 509 A E S > S+ 0 0 88 1,-0.1 3,-1.9 -2,-0.1 4,-0.3 0.547 99.7 94.4-105.1 -14.1 9.8 2.9 24.4 498 510 A E G > S+ 0 0 108 1,-0.3 3,-0.7 -3,-0.3 7,-0.1 0.605 71.9 75.0 -59.8 -9.2 13.1 1.0 24.1 499 511 A Y G > S+ 0 0 3 1,-0.2 3,-1.0 -3,-0.2 -1,-0.3 0.718 75.0 77.1 -77.4 -18.3 14.7 4.1 22.6 500 512 A I G < S+ 0 0 9 -3,-1.9 -1,-0.2 1,-0.3 3,-0.2 0.785 113.0 23.4 -61.0 -28.3 15.0 5.9 25.9 501 513 A S G < S+ 0 0 15 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