==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER GLYCOGEN PHOSPHORYLASE 04-JUN-90 6GPB . COMPND 2 MOLECULE: GLYCOGEN PHOSPHORYLASE B; . SOURCE 2 ORGANISM_SCIENTIFIC: ORYCTOLAGUS CUNICULUS; . AUTHOR K.R.ACHARYA,L.N.JOHNSON . 828 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 32245.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 634 76.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 57 6.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 43 5.2 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 . 55 6.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 117 14.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 319 38.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 19 2.3 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 3 1 3 3 3 2 2 5 1 0 1 1 0 3 0 1 0 1 0 0 1 1 0 0 0 0 1 RESIDUES PER ALPHA HELIX . 2 3 1 3 3 1 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 0 3 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 14 A S 0 0 69 0, 0.0 2,-1.5 0, 0.0 484,-0.1 0.000 360.0 360.0 360.0 154.1 1.7 9.9 28.3 2 15 A V + 0 0 82 1,-0.2 3,-0.1 482,-0.2 489,-0.1 -0.820 360.0 129.8-111.9 94.3 3.9 7.1 28.8 3 16 A R S S- 0 0 29 -2,-1.5 90,-1.2 1,-0.3 -1,-0.2 -0.427 84.7 -95.5-114.5 20.5 5.6 8.5 31.6 4 17 A G - 0 0 19 88,-0.1 -1,-0.3 89,-0.1 2,-0.2 -0.439 65.3 -21.2 74.0-149.1 4.7 5.1 33.0 5 18 A L - 0 0 178 85,-0.4 89,-0.3 -2,-0.2 88,-0.1 -0.879 31.7-162.3-122.2 148.2 1.7 3.7 35.1 6 19 A A - 0 0 42 -2,-0.2 2,-0.3 87,-0.2 88,-0.1 -0.808 28.1-178.1 152.2 13.3 -0.8 5.4 37.4 7 20 A G >> - 0 0 33 1,-0.0 4,-1.6 -2,-0.0 3,-0.8 -0.764 34.1-125.1 -77.4 95.5 -2.0 2.5 39.3 8 21 A V H 3> S+ 0 0 122 -2,-0.3 4,-2.1 1,-0.2 5,-0.1 0.647 106.6 46.0 -27.0 -52.2 -4.8 2.6 42.1 9 22 A E H 3> S+ 0 0 140 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.968 116.0 43.3 -62.6 -50.3 -2.7 0.9 44.9 10 23 A N H <> S+ 0 0 82 -3,-0.8 4,-2.6 1,-0.3 -1,-0.2 0.855 110.9 57.0 -65.9 -31.4 0.5 2.9 44.4 11 24 A V H X S+ 0 0 4 -4,-1.6 4,-2.0 1,-0.2 -1,-0.3 0.918 108.1 48.4 -64.7 -40.9 -1.7 6.0 44.1 12 25 A T H X S+ 0 0 63 -4,-2.1 4,-1.9 -5,-0.2 -2,-0.2 0.930 111.1 47.6 -69.9 -37.5 -3.1 5.3 47.5 13 26 A E H X S+ 0 0 53 -4,-2.4 4,-2.3 1,-0.2 5,-0.3 0.971 110.6 53.4 -68.0 -41.6 0.3 4.6 49.1 14 27 A L H X S+ 0 0 5 -4,-2.6 4,-1.6 1,-0.2 -1,-0.2 0.890 107.9 49.0 -57.1 -44.9 1.8 7.8 47.7 15 28 A K H >X S+ 0 0 44 -4,-2.0 4,-2.4 1,-0.2 3,-0.9 0.982 110.2 53.4 -58.8 -49.1 -1.0 10.0 49.0 16 29 A K H 3X S+ 0 0 109 -4,-1.9 4,-2.0 1,-0.3 -1,-0.2 0.855 111.8 41.9 -56.1 -41.1 -0.6 8.4 52.4 17 30 A N H 3X S+ 0 0 12 -4,-2.3 4,-2.1 2,-0.2 -1,-0.3 0.718 106.4 62.0 -87.9 -11.3 3.1 9.1 52.7 18 31 A F H S+ 0 0 104 -4,-2.0 4,-2.2 -5,-0.2 5,-0.7 0.956 112.1 42.9 -60.3 -43.1 2.9 11.4 56.7 21 34 A H H X>S+ 0 0 9 -4,-2.1 5,-2.4 3,-0.2 4,-0.7 0.864 108.2 57.2 -79.0 -24.2 5.7 13.7 55.6 22 35 A L H <>S+ 0 0 12 -4,-2.2 6,-1.3 3,-0.2 5,-0.7 0.971 120.9 30.2 -62.6 -46.5 3.6 16.9 55.7 23 36 A H H X5S+ 0 0 109 -4,-2.1 4,-1.6 4,-0.2 -2,-0.2 0.995 131.6 29.4 -75.0 -67.1 2.8 16.2 59.3 24 37 A F H <5S+ 0 0 141 -4,-2.2 -3,-0.2 -5,-0.4 -2,-0.1 0.863 129.6 31.9 -73.2 -37.2 5.7 14.4 60.7 25 38 A T T <> - 0 0 101 -2,-0.3 3,-2.0 -3,-0.1 4,-0.9 -0.928 25.9-111.4-138.2 148.5 -0.7 21.4 59.0 30 43 A R T 34 S+ 0 0 162 -2,-0.3 3,-0.4 1,-0.3 -1,-0.1 0.863 117.0 65.3 -61.6 -27.1 -2.9 21.6 55.8 31 44 A N T 34 S+ 0 0 153 1,-0.2 -1,-0.3 -3,-0.0 -3,-0.0 0.801 118.1 20.9 -65.5 -21.8 -4.3 24.7 57.3 32 45 A V T <4 S+ 0 0 90 -3,-2.0 2,-0.4 2,-0.1 -1,-0.2 0.286 87.7 125.6-133.2 17.0 -1.0 26.4 57.0 33 46 A A < - 0 0 16 -4,-0.9 -5,-0.0 -3,-0.4 -11,-0.0 -0.604 42.4-156.7 -82.1 134.4 1.0 24.5 54.3 34 47 A T > - 0 0 61 -2,-0.4 4,-2.1 1,-0.1 5,-0.2 -0.538 37.0 -97.2 -98.1 173.0 2.3 26.7 51.5 35 48 A P H > S+ 0 0 64 0, 0.0 4,-2.2 0, 0.0 5,-0.1 0.808 126.8 58.4 -56.3 -29.7 3.2 25.2 48.1 36 49 A R H > S+ 0 0 88 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.964 104.4 49.8 -66.8 -45.0 6.8 25.1 49.2 37 50 A D H > S+ 0 0 17 1,-0.3 4,-2.5 2,-0.2 -1,-0.2 0.909 111.0 49.9 -61.2 -39.8 5.8 22.9 52.1 38 51 A Y H X S+ 0 0 21 -4,-2.1 4,-2.6 1,-0.2 -1,-0.3 0.866 107.6 53.9 -67.5 -32.9 3.9 20.7 49.6 39 52 A Y H X S+ 0 0 6 -4,-2.2 4,-3.0 2,-0.2 5,-0.3 0.963 110.8 46.0 -63.2 -48.7 7.0 20.5 47.4 40 53 A F H X S+ 0 0 37 -4,-2.7 4,-2.7 1,-0.2 5,-0.3 0.925 111.0 52.8 -60.9 -39.8 9.0 19.3 50.4 41 54 A A H X S+ 0 0 0 -4,-2.5 4,-1.9 1,-0.2 -1,-0.2 0.925 114.2 42.7 -61.7 -40.0 6.4 16.9 51.3 42 55 A L H X S+ 0 0 5 -4,-2.6 4,-2.0 2,-0.2 -1,-0.2 0.899 111.7 52.4 -77.3 -39.9 6.4 15.5 47.8 43 56 A A H X S+ 0 0 0 -4,-3.0 4,-2.8 2,-0.2 3,-0.3 0.965 110.9 49.1 -53.7 -44.7 10.2 15.5 47.4 44 57 A H H X S+ 0 0 32 -4,-2.7 4,-2.1 1,-0.3 -2,-0.2 0.922 108.3 53.0 -75.0 -23.4 10.5 13.6 50.6 45 58 A T H X S+ 0 0 4 -4,-1.9 4,-0.8 -5,-0.3 -1,-0.3 0.882 111.8 45.0 -76.7 -31.0 7.9 11.0 49.5 46 59 A V H >< S+ 0 0 2 -4,-2.0 3,-0.8 -3,-0.3 -1,-0.2 0.927 108.6 58.6 -73.5 -40.1 9.7 10.3 46.2 47 60 A R H >X S+ 0 0 41 -4,-2.8 3,-2.1 1,-0.3 4,-0.8 0.895 97.6 60.8 -54.7 -45.9 13.0 10.1 48.1 48 61 A D H >X S+ 0 0 54 -4,-2.1 3,-0.9 1,-0.3 4,-0.6 0.882 97.9 57.3 -53.2 -38.4 11.6 7.3 50.3 49 62 A H H << S+ 0 0 40 -3,-0.8 -1,-0.3 -4,-0.8 4,-0.2 0.504 106.9 50.1 -77.8 10.2 11.1 5.0 47.2 50 63 A L H <> S+ 0 0 0 -3,-2.1 4,-2.6 -4,-0.2 -1,-0.2 0.569 89.9 77.0-121.0 -11.2 14.7 5.3 46.2 51 64 A V H S+ 0 0 55 -4,-0.2 4,-3.0 2,-0.2 172,-0.4 0.932 111.6 51.7 -63.5 -50.4 17.4 0.7 46.0 54 67 A W H X S+ 0 0 15 -4,-2.6 4,-2.6 1,-0.2 5,-0.3 0.972 112.7 45.3 -54.7 -53.7 20.3 2.9 47.1 55 68 A I H X S+ 0 0 108 -4,-2.9 4,-2.5 1,-0.3 -1,-0.2 0.891 114.9 48.7 -60.1 -38.2 21.1 0.8 50.1 56 69 A R H X S+ 0 0 107 -4,-2.4 4,-2.7 -5,-0.3 -1,-0.3 0.876 107.8 54.0 -73.2 -32.3 20.8 -2.3 48.0 57 70 A T H X S+ 0 0 0 -4,-3.0 4,-2.8 -3,-0.3 5,-0.2 0.959 113.0 42.4 -69.4 -44.1 23.1 -1.1 45.3 58 71 A Q H X S+ 0 0 48 -4,-2.6 4,-2.4 -5,-0.2 -2,-0.2 0.960 114.7 49.3 -69.5 -41.1 25.8 -0.3 47.6 59 72 A Q H X S+ 0 0 105 -4,-2.5 4,-1.9 -5,-0.3 5,-0.3 0.950 112.9 51.5 -55.3 -44.5 25.4 -3.5 49.6 60 73 A H H X S+ 0 0 58 -4,-2.7 4,-2.5 1,-0.2 -1,-0.2 0.898 108.4 47.5 -62.2 -43.1 25.5 -5.2 46.3 61 74 A Y H X S+ 0 0 12 -4,-2.8 4,-1.2 1,-0.2 -1,-0.2 0.891 107.7 60.6 -67.1 -33.5 28.7 -3.6 45.1 62 75 A Y H < S+ 0 0 116 -4,-2.4 3,-0.2 -5,-0.2 -2,-0.2 0.932 115.1 30.2 -57.5 -50.3 30.3 -4.4 48.4 63 76 A E H < S+ 0 0 109 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.852 120.2 51.6 -82.6 -30.4 29.8 -8.1 48.1 64 77 A K H < S- 0 0 130 -4,-2.5 -1,-0.2 -5,-0.3 -2,-0.2 0.520 91.0-155.4 -86.3 -1.6 30.1 -8.3 44.3 65 78 A D < + 0 0 33 -4,-1.2 -3,-0.1 -3,-0.2 -4,-0.1 0.758 19.8 176.4 31.0 63.9 33.4 -6.3 44.3 66 79 A P - 0 0 30 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.354 45.2 -86.5 -82.5 175.1 33.6 -4.7 40.8 67 80 A K - 0 0 44 746,-0.1 73,-0.4 -2,-0.1 2,-0.3 -0.682 53.9-143.8 -74.5 131.0 36.2 -2.3 39.5 68 81 A R E -a 320 0A 14 251,-2.2 253,-0.8 -2,-0.3 2,-0.5 -0.759 4.8-144.5-104.4 155.9 34.7 1.0 40.7 69 82 A I E -ab 321 141A 0 71,-2.6 73,-1.9 -2,-0.3 2,-0.6 -0.959 9.0-162.2-115.2 125.7 35.0 4.1 38.6 70 83 A Y E -ab 322 142A 2 251,-2.3 253,-2.5 -2,-0.5 2,-0.7 -0.957 4.4-158.5-111.0 125.8 35.5 7.4 40.5 71 84 A Y E -ab 323 143A 0 71,-2.9 73,-2.4 -2,-0.6 2,-0.6 -0.898 9.0-159.8 -99.3 116.8 34.7 10.4 38.3 72 85 A L E +ab 324 144A 0 251,-2.6 253,-1.3 -2,-0.7 2,-0.3 -0.827 24.3 152.3 -98.5 122.0 36.4 13.5 39.8 73 86 A S - 0 0 0 71,-2.1 73,-0.1 -2,-0.6 253,-0.1 -0.957 42.4-147.7-140.6 157.3 35.0 16.8 38.7 74 87 A L S S+ 0 0 1 -2,-0.3 2,-0.4 251,-0.3 72,-0.2 0.416 91.3 51.2-101.8 0.6 35.0 20.1 40.5 75 88 A E + 0 0 6 48,-0.1 2,-0.4 70,-0.1 44,-0.2 -0.990 54.3 174.2-128.6 143.0 31.7 20.9 38.9 76 89 A F E -J 118 0B 3 42,-2.6 2,-1.5 -2,-0.4 42,-0.5 -0.897 17.0-159.2-142.0 111.6 28.5 18.8 38.8 77 90 A Y E + 0 0 13 47,-2.4 40,-0.1 -2,-0.4 42,-0.1 -0.621 25.0 163.7-101.3 81.9 25.7 20.7 37.1 78 91 A M E - 0 0 30 -2,-1.5 2,-0.3 38,-0.3 -1,-0.2 0.967 17.1-168.3 -68.2 -56.8 22.8 18.8 38.5 79 92 A G E -J 116 0B 1 37,-2.3 37,-1.8 35,-0.0 2,-0.3 -0.764 54.8 -19.2 94.4-155.4 19.7 20.9 38.0 80 93 A R - 0 0 25 -2,-0.3 4,-0.2 35,-0.2 35,-0.1 -0.667 55.1-161.6 -93.2 150.4 16.5 19.9 39.8 81 94 A T > + 0 0 24 -2,-0.3 4,-3.1 3,-0.1 5,-0.2 0.799 66.6 78.2-102.3 -36.4 16.2 16.3 41.0 82 95 A L H > S+ 0 0 1 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.867 98.3 35.9 -45.8 -63.1 12.5 15.7 41.6 83 96 A Q H > S+ 0 0 30 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.916 118.5 53.7 -63.3 -40.6 11.0 15.1 38.2 84 97 A N H > S+ 0 0 20 2,-0.2 4,-2.7 1,-0.2 5,-0.3 0.933 107.8 49.2 -60.8 -41.6 14.1 13.3 37.1 85 98 A T H X S+ 0 0 1 -4,-3.1 4,-2.1 1,-0.2 6,-0.3 0.965 111.4 49.9 -64.0 -42.6 13.9 11.0 40.0 86 99 A M H X>S+ 0 0 0 -4,-2.7 5,-1.3 -5,-0.2 6,-1.1 0.876 111.3 50.4 -62.4 -35.0 10.3 10.3 39.2 87 100 A V H ><5S+ 0 0 0 -4,-2.5 3,-1.4 1,-0.2 -2,-0.2 0.979 114.6 40.9 -65.6 -54.8 11.2 9.6 35.5 88 101 A N H 3<5S+ 0 0 1 -4,-2.7 133,-2.3 1,-0.3 135,-0.3 0.720 119.7 45.5 -70.8 -20.8 14.0 7.2 36.3 89 102 A L H 3<5S- 0 0 12 -4,-2.1 -1,-0.3 -5,-0.3 -2,-0.2 0.457 107.0-123.8-101.7 2.7 12.1 5.6 39.1 90 103 A A T <<5S+ 0 0 34 -3,-1.4 -85,-0.4 -4,-0.5 3,-0.2 0.558 78.2 117.9 66.8 14.1 8.8 5.3 37.0 91 104 A L >>< + 0 0 14 -5,-1.3 4,-2.8 -6,-0.3 3,-1.2 0.549 39.0 100.2 -87.4 -4.1 6.8 7.2 39.7 92 105 A E H 3> S+ 0 0 3 -6,-1.1 4,-2.6 1,-0.3 5,-0.2 0.916 87.2 34.8 -54.6 -54.1 5.8 10.2 37.5 93 106 A N H 3> S+ 0 0 36 -90,-1.2 4,-0.7 -3,-0.2 -1,-0.3 0.529 114.2 58.7 -79.7 -8.4 2.3 9.3 36.6 94 107 A A H <> S+ 0 0 3 -3,-1.2 4,-2.6 -89,-0.3 -1,-0.2 0.914 112.5 40.6 -80.7 -47.5 1.6 7.7 40.0 95 108 A C H X S+ 0 0 5 -4,-2.8 4,-3.6 2,-0.2 5,-0.4 0.911 109.3 58.2 -66.9 -39.1 2.4 10.9 41.7 96 109 A D H X S+ 0 0 48 -4,-2.6 4,-1.6 -5,-0.3 -1,-0.2 0.893 111.3 44.4 -57.2 -39.1 0.6 13.1 39.1 97 110 A E H X S+ 0 0 68 -4,-0.7 4,-2.8 2,-0.2 5,-0.3 0.980 115.0 47.4 -66.5 -56.2 -2.5 11.2 39.9 98 111 A A H X S+ 0 0 4 -4,-2.6 4,-1.3 1,-0.3 5,-0.2 0.918 111.6 49.6 -53.9 -49.5 -1.9 11.3 43.7 99 112 A T H X>S+ 0 0 2 -4,-3.6 5,-2.9 1,-0.2 4,-0.8 0.870 111.3 50.8 -62.8 -30.4 -1.1 15.1 43.7 100 113 A Y H ><5S+ 0 0 177 -4,-1.6 3,-0.7 -5,-0.4 -2,-0.2 0.957 108.9 49.9 -74.8 -37.8 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21.1 40.3 111 124 A E T 3< S+ 0 0 76 -4,-1.5 -1,-0.3 1,-0.3 -2,-0.2 0.593 93.4 65.3 -64.3 -3.2 8.9 24.8 39.7 112 125 A I T < S+ 0 0 51 -3,-2.0 2,-0.3 -4,-0.2 -1,-0.3 0.591 77.1 99.1 -95.8 -5.1 9.6 25.4 43.4 113 126 A E S < S- 0 0 14 -3,-2.2 2,-0.4 -4,-0.3 -33,-0.1 -0.613 71.3-137.9 -81.1 138.4 12.7 23.2 43.3 114 127 A E - 0 0 82 -2,-0.3 -2,-0.1 55,-0.2 -35,-0.0 -0.775 26.7-105.6 -95.8 137.9 15.9 25.4 43.1 115 128 A D - 0 0 9 -2,-0.4 2,-1.2 -35,-0.1 -35,-0.2 -0.316 16.3-130.5 -57.7 144.9 18.5 24.1 40.7 116 129 A A E -J 79 0B 10 -37,-1.8 -37,-2.3 1,-0.1 2,-0.9 -0.861 33.7-178.7 -91.6 97.9 21.6 22.6 42.2 117 130 A G E + 0 0 5 -2,-1.2 35,-2.2 -39,-0.2 2,-1.2 -0.429 22.6 149.7 -98.8 60.8 23.8 24.8 39.9 118 131 A L E +J 76 0B 3 -2,-0.9 -42,-2.6 -42,-0.5 2,-0.3 -0.122 58.9 62.6 -83.0 45.7 27.0 23.4 41.2 119 132 A G - 0 0 0 -2,-1.2 33,-0.3 -44,-0.2 3,-0.1 -0.981 68.3-141.0-164.3 164.1 28.5 24.1 37.7 120 133 A N S S- 0 0 12 -2,-0.3 2,-0.2 1,-0.2 475,-0.2 0.849 70.6 -55.8-100.0 -49.6 29.3 26.8 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A H + 0 0 17 -2,-0.5 2,-0.3 77,-0.1 296,-0.3 0.602 55.3 27.8-107.1 -12.2 38.2 20.1 27.3 365 378 A T - 0 0 11 1,-0.1 -1,-0.1 295,-0.1 294,-0.1 -0.991 38.8-160.2-151.6 156.9 39.7 23.1 25.5 366 379 A V + 0 0 29 292,-0.4 -1,-0.1 -2,-0.3 293,-0.1 0.407 64.3 114.7-106.9 -12.5 42.5 24.2 23.2 367 380 A I > - 0 0 7 291,-0.3 3,-1.3 1,-0.2 4,-0.4 -0.489 62.7-146.1 -67.4 122.2 42.1 27.8 24.3 368 381 A P G > S+ 0 0 71 0, 0.0 3,-2.1 0, 0.0 -1,-0.2 0.859 89.8 65.5 -61.2 -38.8 45.2 28.8 26.2 369 382 A E G 3 S+ 0 0 48 1,-0.3 -96,-2.5 -97,-0.1 -2,-0.1 0.741 98.8 54.7 -62.1 -20.0 43.6 31.1 28.7 370 383 A A G < S+ 0 0 3 -3,-1.3 -1,-0.3 -98,-0.3 -98,-0.3 0.626 85.1 104.9 -87.6 -11.7 41.8 28.3 30.2 371 384 A L < - 0 0 18 -3,-2.1 2,-0.5 -4,-0.4 -98,-0.2 -0.528 67.6-131.8 -82.1 145.3 44.9 26.2 30.9 372 385 A E + 0 0 8 -2,-0.2 56,-2.1 -99,-0.1 57,-0.5 -0.774 31.0 166.4 -96.8 125.5 46.2 26.0 34.4 373 386 A R E -N 427 0F 60 -2,-0.5 54,-0.3 54,-0.2 45,-0.0 -0.990 28.3-150.2-130.0 115.8 49.8 26.5 35.0 374 387 A W 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397 A P H > S+ 0 0 9 0, 0.0 4,-1.9 0, 0.0 5,-0.1 0.831 76.8 51.4 -63.1 -38.0 55.6 21.3 49.4 385 398 A R H > S+ 0 0 26 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.950 107.7 53.1 -64.4 -39.5 55.7 17.6 49.1 386 399 A H H > S+ 0 0 0 -3,-0.4 4,-2.7 1,-0.3 -1,-0.2 0.879 104.9 55.2 -69.0 -32.2 53.6 17.6 46.0 387 400 A L H X S+ 0 0 2 -4,-1.6 4,-2.5 -8,-0.3 -1,-0.3 0.939 108.2 49.7 -61.6 -41.2 56.0 20.1 44.4 388 401 A Q H X S+ 0 0 58 -4,-1.9 4,-2.5 1,-0.2 -2,-0.2 0.941 111.7 47.3 -59.8 -47.3 58.8 17.6 45.1 389 402 A I H X S+ 0 0 5 -4,-2.4 4,-2.7 1,-0.2 -1,-0.2 0.953 110.7 51.6 -62.7 -44.3 56.9 14.7 43.6 390 403 A I H X S+ 0 0 0 -4,-2.7 4,-2.9 1,-0.3 -1,-0.2 0.903 109.7 51.0 -62.3 -36.8 56.0 16.8 40.6 391 404 A Y H X S+ 0 0 87 -4,-2.5 4,-2.6 1,-0.2 -1,-0.3 0.917 111.3 46.7 -64.5 -42.3 59.7 17.7 40.1 392 405 A E H X S+ 0 0 70 -4,-2.5 4,-2.3 2,-0.2 5,-0.2 0.909 111.9 51.4 -67.3 -38.4 60.7 14.1 40.3 393 406 A I H X S+ 0 0 1 -4,-2.7 4,-2.3 2,-0.2 -2,-0.2 0.989 110.2 48.9 -57.2 -58.9 58.0 13.1 37.9 394 407 A N H X S+ 0 0 18 -4,-2.9 4,-3.1 1,-0.2 5,-0.3 0.862 108.8 55.5 -47.1 -50.0 59.1 15.8 35.5 395 408 A Q H X S+ 0 0 102 -4,-2.6 4,-2.5 1,-0.3 -1,-0.2 0.934 112.0 39.7 -45.4 -64.1 62.7 14.6 35.8 396 409 A R H X S+ 0 0 98 -4,-2.3 4,-1.2 1,-0.2 -1,-0.3 0.778 113.5 55.8 -65.9 -24.9 62.0 11.1 34.8 397 410 A F H >X S+ 0 0 6 -4,-2.3 4,-2.0 -5,-0.2 3,-0.7 0.966 109.9 45.1 -72.4 -45.4 59.6 12.1 32.2 398 411 A L H 3X S+ 0 0 28 -4,-3.1 4,-3.1 1,-0.3 -2,-0.2 0.864 108.1 57.1 -71.2 -29.3 62.2 14.2 30.5 399 412 A N H 3X S+ 0 0 99 -4,-2.5 4,-1.8 -5,-0.3 -1,-0.3 0.845 106.1 51.3 -69.2 -25.2 64.8 11.6 30.8 400 413 A R H X S+ 0 0 0 -4,-2.0 4,-3.0 2,-0.2 3,-0.5 0.941 108.6 53.4 -63.7 -46.5 62.1 12.0 26.3 402 415 A A H 3< S+ 0 0 39 -4,-3.1 6,-0.2 1,-0.3 -2,-0.2 0.936 108.9 49.9 -55.3 -49.7 65.9 12.6 26.0 403 416 A A H 3< S+ 0 0 84 -4,-1.8 -1,-0.3 1,-0.2 -2,-0.2 0.812 115.4 43.5 -62.1 -30.7 66.4 9.0 25.4 404 417 A A H << S+ 0 0 53 -4,-1.3 -1,-0.2 -3,-0.5 -2,-0.2 0.811 124.3 31.3 -88.3 -27.9 63.8 8.9 22.7 405 418 A F S >< S- 0 0 48 -4,-3.0 3,-2.6 -5,-0.1 -1,-0.2 -0.482 86.2-156.6-126.6 69.2 64.7 12.1 20.9 406 419 A P T 3 S+ 0 0 113 0, 0.0 -3,-0.1 0, 0.0 3,-0.1 -0.173 74.8 3.9 -60.7 110.3 68.4 12.3 21.4 407 420 A G T 3 S+ 0 0 67 1,-0.2 2,-2.0 -2,-0.1 3,-0.2 0.254 85.3 128.2 107.5 -12.0 69.6 15.9 21.2 408 421 A D <> + 0 0 55 -3,-2.6 4,-1.2 1,-0.2 3,-0.2 -0.579 27.4 171.1 -87.5 92.7 66.3 17.7 20.7 409 422 A V H > S+ 0 0 104 -2,-2.0 4,-1.8 1,-0.2 -1,-0.2 0.877 71.6 57.1 -68.7 -37.9 66.8 20.1 23.4 410 423 A D H > S+ 0 0 90 1,-0.2 4,-3.0 -3,-0.2 -1,-0.2 0.812 97.9 61.1 -70.1 -25.1 63.8 22.2 22.5 411 424 A R H > S+ 0 0 12 2,-0.2 4,-3.2 1,-0.2 5,-0.3 0.962 105.2 48.5 -59.4 -47.2 61.6 19.2 22.9 412 425 A L H X S+ 0 0 59 -4,-1.2 4,-1.1 1,-0.2 -2,-0.2 0.866 111.4 51.4 -60.2 -37.1 62.7 19.1 26.5 413 426 A R H < S+ 0 0 170 -4,-1.8 3,-0.4 2,-0.2 -1,-0.2 0.964 116.0 38.8 -60.8 -56.9 62.0 22.8 26.7 414 427 A R H < S+ 0 0 76 -4,-3.0 -2,-0.2 1,-0.2 -3,-0.2 0.919 118.7 46.1 -60.1 -49.5 58.4 22.4 25.3 415 428 A M H < S+ 0 0 0 -4,-3.2 -1,-0.2 -5,-0.2 -2,-0.2 0.590 79.9 116.5 -78.6 -12.4 57.5 19.2 27.1 416 429 A S < - 0 0 18 -4,-1.1 11,-0.1 -3,-0.4 14,-0.1 -0.191 65.6-136.2 -57.8 149.6 58.6 20.0 30.6 417 430 A L S S+ 0 0 0 -27,-0.1 10,-2.5 13,-0.1 2,-0.6 0.643 91.1 74.8 -77.4 -11.2 55.9 20.1 33.1 418 431 A V E S-O 426 0F 6 8,-0.2 2,-0.8 -27,-0.1 8,-0.2 -0.901 74.3-149.8-110.1 125.4 57.6 23.2 34.5 419 432 A E E -O 425 0F 56 6,-2.7 6,-2.1 -2,-0.6 2,-0.1 -0.819 22.5-155.7 -91.2 109.9 57.2 26.4 32.4 420 433 A E + 0 0 122 -2,-0.8 3,-0.1 4,-0.2 4,-0.0 -0.446 43.2 80.9 -81.5 164.2 60.4 28.3 33.1 421 434 A G S S- 0 0 50 1,-0.2 2,-1.8 -2,-0.1 -2,-0.0 0.516 96.0 -23.3 108.3 117.2 60.8 32.0 32.8 422 435 A A S S+ 0 0 116 2,-0.1 2,-0.8 1,-0.0 -1,-0.2 -0.372 139.3 24.6 56.0 -78.9 60.0 34.9 35.0 423 436 A V S S- 0 0 74 -2,-1.8 2,-0.3 -3,-0.1 -4,-0.0 -0.952 89.1-146.7-119.3 108.1 57.2 33.3 37.1 424 437 A K + 0 0 72 -2,-0.8 -48,-1.6 -49,-0.0 -47,-0.5 -0.557 27.6 175.8 -70.6 134.9 58.1 29.7 36.8 425 438 A R E -NO 375 419F 64 -6,-2.1 -6,-2.7 -50,-0.3 2,-0.5 -0.852 30.5-113.7-142.1 172.0 54.8 27.7 36.8 426 439 A I E -NO 374 418F 0 -52,-2.9 -52,-2.2 -2,-0.3 2,-0.9 -0.955 23.0-134.5-120.3 123.1 53.7 24.1 36.5 427 440 A N E > -N 373 0F 11 -10,-2.5 4,-1.7 -2,-0.5 3,-0.3 -0.633 13.4-163.9 -82.7 109.8 51.6 23.1 33.5 428 441 A M H > S+ 0 0 0 -56,-2.1 4,-2.5 -2,-0.9 5,-0.2 0.858 86.0 58.5 -60.5 -39.0 48.8 21.0 34.8 429 442 A A H > S+ 0 0 4 -57,-0.5 4,-2.2 1,-0.2 -1,-0.2 0.925 105.8 49.6 -60.5 -39.7 48.0 19.5 31.3 430 443 A H H > S+ 0 0 22 -3,-0.3 4,-2.3 2,-0.2 -1,-0.2 0.897 108.0 54.3 -68.7 -36.6 51.5 18.2 31.0 431 444 A L H X S+ 0 0 0 -4,-1.7 4,-2.4 1,-0.2 -1,-0.2 0.971 109.5 48.6 -57.0 -52.5 51.2 16.6 34.5 432 445 A C H X S+ 0 0 0 -4,-2.5 4,-0.6 1,-0.2 -2,-0.2 0.874 111.6 46.4 -58.3 -41.9 48.0 14.8 33.4 433 446 A I H >< S+ 0 0 0 -4,-2.2 3,-0.6 1,-0.2 -1,-0.2 0.901 111.5 53.8 -71.0 -33.8 49.4 13.5 30.2 434 447 A A H 3< S+ 0 0 1 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.921 118.9 31.5 -70.3 -35.5 52.5 12.3 31.8 435 448 A G H 3< S+ 0 0 0 -4,-2.4 -76,-0.3 -5,-0.2 2,-0.3 0.239 103.2 82.2-109.9 17.6 50.8 10.3 34.5 436 449 A S << - 0 0 0 -3,-0.6 -76,-0.2 -4,-0.6 -80,-0.2 -0.837 63.7-145.6-112.4 156.3 47.6 9.1 32.8 437 450 A H S S+ 0 0 56 -78,-2.4 2,-0.3 -81,-0.7 -77,-0.2 0.603 86.8 29.1 -93.5 -10.3 47.3 6.1 30.6 438 451 A A - 0 0 0 -79,-0.5 -77,-1.7 -82,-0.1 2,-0.4 -0.983 61.3-173.1-144.7 151.0 44.6 7.6 28.3 439 452 A V E -hi 361 466A 0 26,-1.9 28,-3.0 -2,-0.3 2,-0.4 -0.973 15.7-174.4-142.0 129.6 44.0 11.2 27.4 440 453 A N E -hi 362 467A 1 -79,-1.9 -77,-3.0 -2,-0.4 2,-0.3 -0.946 20.4-146.4-134.3 151.1 40.9 12.0 25.3 441 454 A G E - i 0 468A 0 26,-1.2 28,-1.7 -2,-0.4 -77,-0.1 -0.643 28.1-121.5 -96.1 170.8 39.4 15.0 23.7 442 455 A V S S+ 0 0 0 -79,-0.5 29,-1.8 -2,-0.3 2,-0.3 0.176 88.6 30.4-104.7 18.0 35.7 15.2 23.6 443 456 A A S > S- 0 0 0 27,-0.3 4,-1.7 1,-0.1 5,-0.2 -0.905 84.6-113.1-161.5 153.9 34.8 15.5 19.8 444 457 A R H > S+ 0 0 96 -2,-0.3 4,-2.1 1,-0.2 5,-0.1 0.870 116.8 50.3 -68.2 -29.9 36.8 13.8 17.0 445 458 A I H > S+ 0 0 31 236,-0.3 4,-2.6 1,-0.2 -1,-0.2 0.912 108.9 51.5 -73.0 -37.3 37.9 17.2 15.6 446 459 A H H > S+ 0 0 5 214,-0.5 4,-2.0 1,-0.2 -1,-0.2 0.835 110.9 50.1 -71.0 -27.4 39.1 18.4 19.0 447 460 A S H X S+ 0 0 4 -4,-1.7 4,-1.8 2,-0.2 -1,-0.2 0.882 108.8 49.4 -81.3 -29.9 41.1 15.2 19.3 448 461 A E H >X S+ 0 0 79 -4,-2.1 4,-1.3 1,-0.2 3,-0.7 0.992 113.0 48.6 -66.9 -48.8 42.7 15.5 15.9 449 462 A I H >X S+ 0 0 32 -4,-2.6 4,-3.0 1,-0.3 3,-0.7 0.881 107.2 54.8 -55.0 -44.1 43.6 19.1 16.8 450 463 A L H 3<>S+ 0 0 3 -4,-2.0 5,-2.3 1,-0.3 -1,-0.3 0.894 110.5 47.9 -57.6 -36.9 45.0 18.0 20.2 451 464 A K H <<5S+ 0 0 40 -4,-1.8 -1,-0.3 -3,-0.7 -2,-0.2 0.709 119.7 36.3 -75.3 -23.6 47.3 15.6 18.4 452 465 A K H <<5S+ 0 0 122 -4,-1.3 -2,-0.2 -3,-0.7 -3,-0.2 0.833 127.9 22.7 -96.6 -48.8 48.5 18.1 15.8 453 466 A T T ><5S+ 0 0 81 -4,-3.0 3,-1.4 -5,-0.2 4,-0.3 0.844 125.3 14.5 -89.0 -89.2 48.7 21.2 17.7 454 467 A I T 3 5S+ 0 0 56 -5,-0.3 3,-0.4 1,-0.3 4,-0.2 0.869 132.1 28.5 -67.5 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2,-0.2 4,-0.8 0.983 74.4 51.4 -57.6 -58.1 33.8 37.7 13.7 761 774 A F H 34 S+ 0 0 1 1,-0.3 4,-0.4 2,-0.2 -1,-0.2 0.655 99.0 63.8 -60.2 -19.2 33.8 39.8 10.5 762 775 A A H 34 S+ 0 0 18 -3,-0.4 4,-0.3 1,-0.2 -1,-0.3 0.810 108.9 40.5 -79.9 -15.6 35.3 37.0 8.3 763 776 A D H S+ 0 0 92 -4,-0.4 4,-2.3 1,-0.2 5,-0.3 0.944 116.2 43.3 -57.7 -44.4 28.8 37.4 4.8 766 779 A E H > S+ 0 0 86 -4,-0.3 4,-2.6 1,-0.2 -1,-0.2 0.887 111.7 55.5 -67.6 -36.1 28.3 33.7 4.9 767 780 A Y H X S+ 0 0 0 -4,-2.3 4,-2.3 2,-0.2 -2,-0.2 0.971 110.5 43.5 -58.3 -56.0 26.5 33.9 8.1 768 781 A V H X S+ 0 0 3 -4,-2.8 4,-1.4 2,-0.2 -2,-0.2 0.920 115.0 47.5 -60.5 -45.6 24.0 36.4 6.7 769 782 A K H >X S+ 0 0 101 -4,-2.3 4,-1.6 -5,-0.2 3,-0.6 0.928 111.2 51.9 -62.8 -39.0 23.4 34.6 3.4 770 783 A C H 3X S+ 0 0 4 -4,-2.6 4,-1.2 -5,-0.3 -1,-0.2 0.906 106.4 55.8 -65.9 -35.1 23.0 31.3 5.3 771 784 A Q H 3X S+ 0 0 1 -4,-2.3 4,-1.7 1,-0.2 -1,-0.3 0.801 100.8 56.6 -69.8 -25.4 20.4 33.0 7.5 772 785 A E H < S+ 0 0 48 -4,-1.9 3,-0.7 1,-0.2 4,-0.3 0.982 110.6 41.1 -61.9 -50.2 13.4 30.5 3.0 777 790 A L H >< S+ 0 0 53 -4,-1.8 3,-1.6 1,-0.2 7,-0.3 0.783 105.0 63.5 -72.0 -27.7 12.8 27.1 4.4 778 791 A Y H 3< S+ 0 0 38 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.890 93.1 65.5 -69.7 -21.6 10.7 28.3 7.3 779 792 A K T << S+ 0 0 126 -4,-1.4 -1,-0.3 -3,-0.7 -2,-0.2 0.670 95.1 62.2 -71.6 -12.6 8.1 29.6 4.9 780 793 A N S X> S- 0 0 76 -3,-1.6 4,-1.8 -4,-0.3 3,-0.7 -0.763 71.4-171.0-114.8 89.5 7.5 26.0 3.8 781 794 A P H 3> S+ 0 0 93 0, 0.0 4,-2.3 0, 0.0 5,-0.2 0.836 77.2 56.3 -40.3 -43.9 6.2 24.3 7.0 782 795 A R H 3> S+ 0 0 97 1,-0.3 4,-1.6 2,-0.2 5,-0.1 0.870 108.4 41.6 -74.0 -37.5 6.3 20.8 5.6 783 796 A E H <> S+ 0 0 56 -3,-0.7 4,-2.0 2,-0.2 -1,-0.3 0.820 110.2 57.8 -85.5 -18.5 9.8 20.6 4.5 784 797 A W H X S+ 0 0 9 -4,-1.8 4,-2.7 -7,-0.3 3,-0.3 0.979 110.0 46.1 -65.7 -49.4 11.2 22.3 7.6 785 798 A T H X S+ 0 0 17 -4,-2.3 4,-2.7 1,-0.2 -2,-0.2 0.860 109.3 53.9 -63.2 -29.8 9.5 19.6 9.7 786 799 A R H X S+ 0 0 34 -4,-1.6 4,-2.0 2,-0.2 -1,-0.2 0.924 109.7 47.8 -69.1 -32.1 10.9 16.9 7.4 787 800 A M H X S+ 0 0 14 -4,-2.0 4,-1.2 -3,-0.3 -2,-0.2 0.917 110.5 53.5 -67.9 -40.2 14.4 18.3 7.9 788 801 A V H >X S+ 0 0 9 -4,-2.7 4,-2.7 1,-0.2 3,-1.0 0.938 105.7 52.5 -58.0 -46.6 13.6 18.3 11.5 789 802 A I H 3X S+ 0 0 0 -4,-2.7 4,-3.0 1,-0.3 5,-0.3 0.905 108.2 50.9 -63.6 -36.7 12.6 14.6 11.4 790 803 A R H 3X S+ 0 0 72 -4,-2.0 4,-0.5 2,-0.2 -1,-0.3 0.759 111.4 49.0 -71.7 -20.2 15.8 13.7 9.8 791 804 A N H XX S+ 0 0 0 -4,-1.2 3,-0.7 -3,-1.0 4,-0.7 0.962 114.0 43.8 -80.4 -49.9 17.7 15.5 12.5 792 805 A I H >< S+ 0 0 4 -4,-2.7 3,-1.4 1,-0.3 -2,-0.2 0.904 110.9 54.8 -58.6 -45.6 15.8 13.9 15.3 793 806 A A H 3< S+ 0 0 1 -4,-3.0 3,-0.4 1,-0.3 -1,-0.3 0.818 110.9 48.7 -62.7 -24.1 16.0 10.5 13.8 794 807 A T H X< S+ 0 0 6 -3,-0.7 3,-0.7 -4,-0.5 -1,-0.3 0.595 82.5 87.7 -96.5 -1.0 19.7 10.9 13.6 795 808 A S G X< + 0 0 3 -3,-1.4 3,-2.0 -4,-0.7 -1,-0.2 0.489 54.5 105.6 -82.1 6.8 20.7 12.1 17.2 796 809 A G G > S+ 0 0 2 -3,-0.4 3,-1.6 1,-0.3 -293,-0.3 0.885 72.3 60.3 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-77.9 -39.9 33.0 3.8 25.2 807 820 A Y H X>S+ 0 0 0 -4,-2.6 5,-2.7 1,-0.2 4,-1.6 0.956 113.2 52.2 -59.1 -44.0 34.8 5.2 28.2 808 821 A A H <>S+ 0 0 0 -4,-3.1 5,-2.6 -5,-0.2 6,-1.7 0.953 118.6 31.8 -55.1 -58.2 33.9 2.0 29.9 809 822 A R H <5S+ 0 0 135 -4,-2.1 -2,-0.2 4,-0.2 -3,-0.2 0.966 125.8 36.8 -75.7 -52.6 35.3 -0.3 27.3 810 823 A E H <5S+ 0 0 87 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.534 135.2 13.1 -84.3 0.0 38.2 1.5 25.8 811 824 A I T <5S+ 0 0 11 -4,-1.6 -3,-0.2 -5,-0.4 -2,-0.1 0.557 131.1 35.8-138.6 -43.7 39.6 3.2 29.0 812 825 A W T