==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=8-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ISOMERASE 21-NOV-02 1N8T . COMPND 2 MOLECULE: GLUCOSE-6-PHOSPHATE ISOMERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ORYCTOLAGUS CUNICULUS; . AUTHOR C.DAVIES,H.MUIRHEAD . 1114 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 36807.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 814 73.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 76 6.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 42 3.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 4 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 0.4 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 . 2 0.2 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 . 74 6.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 134 12.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 440 39.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 24 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 7 0 3 6 2 3 2 1 0 8 4 1 0 0 1 4 1 1 1 0 0 0 0 0 1 0 0 RESIDUES PER ALPHA HELIX . 0 2 2 4 4 0 2 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 . 7 2 0 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 0 ANTIPARALLEL BRIDGES PER LADDER . 2 0 0 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 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 1 A A 0 0 30 0, 0.0 4,-0.4 0, 0.0 504,-0.1 0.000 360.0 360.0 360.0 101.3 -2.3 85.0 24.8 2 2 A A > + 0 0 28 2,-0.2 4,-2.3 1,-0.2 3,-0.2 0.755 360.0 67.3 -84.4 -37.3 -3.1 84.7 21.2 3 3 A L T >4 S+ 0 0 1 1,-0.3 3,-0.9 2,-0.2 6,-0.2 0.975 107.6 47.9 -49.0 -50.5 -4.7 81.3 20.8 4 4 A T T 34 S+ 0 0 45 1,-0.3 -1,-0.3 5,-0.1 -2,-0.2 0.774 112.3 48.5 -60.4 -27.7 -7.5 83.0 22.8 5 5 A R T 34 S+ 0 0 191 -4,-0.4 -1,-0.3 -3,-0.2 -2,-0.2 0.703 88.2 108.1 -83.8 -19.6 -7.3 86.0 20.5 6 6 A N S+ 0 0 77 0, 0.0 4,-2.2 0, 0.0 5,-0.2 0.795 98.5 53.0 -66.0 -32.8 -10.8 84.1 15.5 8 8 A Q H > S+ 0 0 70 2,-0.2 4,-2.1 1,-0.2 62,-0.2 0.928 109.6 50.1 -68.4 -38.9 -10.6 80.5 14.2 9 9 A F H > S+ 0 0 2 -6,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.916 110.3 50.8 -61.0 -43.6 -10.0 79.4 17.8 10 10 A Q H X S+ 0 0 112 -4,-2.2 4,-3.2 2,-0.2 -1,-0.2 0.902 108.7 49.4 -62.0 -44.9 -13.0 81.4 18.8 11 11 A K H X S+ 0 0 98 -4,-2.2 4,-2.8 2,-0.2 -1,-0.2 0.892 110.0 52.7 -63.7 -38.6 -15.4 80.0 16.2 12 12 A L H X S+ 0 0 0 -4,-2.1 4,-2.4 2,-0.2 -1,-0.2 0.938 113.2 43.7 -60.8 -47.3 -14.3 76.5 17.2 13 13 A Q H X S+ 0 0 66 -4,-2.3 4,-2.3 2,-0.2 -2,-0.2 0.940 112.9 50.4 -67.8 -43.1 -15.1 77.2 20.8 14 14 A Q H X S+ 0 0 94 -4,-3.2 4,-1.8 1,-0.2 -2,-0.2 0.932 111.4 49.8 -60.9 -43.8 -18.4 78.9 20.0 15 15 A W H X S+ 0 0 23 -4,-2.8 4,-3.4 1,-0.2 5,-0.5 0.947 110.0 49.6 -57.9 -49.6 -19.4 75.9 17.9 16 16 A H H X S+ 0 0 34 -4,-2.4 4,-1.8 1,-0.2 5,-0.5 0.868 106.8 56.5 -59.0 -37.5 -18.5 73.4 20.6 17 17 A R H < S+ 0 0 178 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.926 117.1 34.9 -58.6 -45.6 -20.5 75.4 23.1 18 18 A E H < S+ 0 0 125 -4,-1.8 -2,-0.2 -3,-0.2 -1,-0.2 0.852 138.3 11.4 -80.7 -35.7 -23.5 75.1 20.8 19 19 A H H >X S+ 0 0 62 -4,-3.4 3,-1.4 -5,-0.2 4,-0.8 0.591 93.2 96.4-123.8 -11.2 -23.1 71.6 19.3 20 20 A G G >< S+ 0 0 2 -4,-1.8 3,-1.0 -5,-0.5 -3,-0.1 0.869 87.9 49.5 -51.8 -47.7 -20.4 69.6 21.1 21 21 A S G 34 S+ 0 0 124 -5,-0.5 -1,-0.3 1,-0.2 -2,-0.1 0.720 101.6 67.1 -64.8 -20.5 -22.6 67.7 23.5 22 22 A E G <4 S+ 0 0 122 -3,-1.4 -1,-0.2 2,-0.0 -2,-0.2 0.791 75.0 105.8 -72.6 -26.3 -24.8 66.8 20.5 23 23 A L << - 0 0 8 -3,-1.0 2,-0.5 -4,-0.8 35,-0.1 -0.318 45.7-179.7 -60.8 125.1 -22.2 64.6 18.9 24 24 A N >> - 0 0 66 1,-0.2 4,-2.1 -2,-0.1 3,-1.1 -0.935 20.7-153.6-130.4 108.4 -22.9 60.9 19.3 25 25 A L H 3> S+ 0 0 0 -2,-0.5 4,-2.3 1,-0.3 5,-0.3 0.891 96.2 52.3 -43.4 -51.1 -20.4 58.5 17.8 26 26 A R H 3> S+ 0 0 72 410,-0.5 4,-1.5 1,-0.2 -1,-0.3 0.804 109.8 48.6 -60.6 -32.8 -22.9 55.8 17.3 27 27 A H H <> S+ 0 0 112 -3,-1.1 4,-1.5 2,-0.2 -1,-0.2 0.845 107.8 54.3 -76.8 -37.7 -25.3 58.1 15.4 28 28 A L H < S+ 0 0 22 -4,-2.1 3,-0.4 1,-0.2 4,-0.4 0.954 111.6 43.9 -62.5 -49.1 -22.6 59.4 13.1 29 29 A F H >< S+ 0 0 14 -4,-2.3 3,-1.1 1,-0.2 -1,-0.2 0.907 111.3 54.9 -63.5 -39.5 -21.6 55.9 12.0 30 30 A D H 3< S+ 0 0 122 -4,-1.5 -1,-0.2 -5,-0.3 -2,-0.2 0.807 113.2 42.8 -63.1 -27.9 -25.3 54.9 11.7 31 31 A T T 3< S+ 0 0 89 -4,-1.5 -1,-0.2 -3,-0.4 -2,-0.2 0.305 116.4 43.5-104.9 11.6 -25.9 57.9 9.3 32 32 A D X - 0 0 38 -3,-1.1 3,-2.0 -4,-0.4 4,-0.2 -0.654 50.9-173.9-159.0 98.0 -22.8 57.7 7.1 33 33 A K T 3 S+ 0 0 167 1,-0.3 4,-0.3 -2,-0.2 3,-0.2 0.555 90.1 58.7 -70.7 -2.6 -21.4 54.5 5.7 34 34 A E T 3> S+ 0 0 69 1,-0.2 4,-3.4 2,-0.1 5,-0.3 0.456 71.8 105.5-104.1 -1.0 -18.4 56.4 4.4 35 35 A R H <> S+ 0 0 3 -3,-2.0 4,-2.2 1,-0.3 -1,-0.2 0.864 83.2 45.1 -45.3 -48.8 -17.4 57.7 7.8 36 36 A F H 4 S+ 0 0 29 -4,-0.2 -1,-0.3 1,-0.2 18,-0.2 0.915 114.6 48.0 -64.4 -46.0 -14.5 55.3 7.9 37 37 A N H >4 S+ 0 0 96 -4,-0.3 3,-0.5 1,-0.2 -1,-0.2 0.883 118.1 42.6 -60.8 -38.1 -13.5 56.0 4.4 38 38 A H H 3< S+ 0 0 102 -4,-3.4 -2,-0.2 1,-0.2 -1,-0.2 0.698 118.0 42.9 -82.2 -22.5 -13.7 59.8 5.1 39 39 A F T 3< S+ 0 0 6 -4,-2.2 15,-1.6 -5,-0.3 2,-0.3 -0.162 101.2 76.9-121.4 40.4 -12.1 59.8 8.5 40 40 A S E < -A 53 0A 12 -3,-0.5 2,-0.4 13,-0.2 13,-0.2 -0.940 56.8-150.1-143.3 168.7 -9.1 57.5 8.0 41 41 A L E -A 52 0A 13 11,-2.9 11,-2.7 -2,-0.3 2,-0.5 -0.998 1.6-157.2-145.4 129.9 -5.7 57.6 6.5 42 42 A T E -A 51 0A 82 -2,-0.4 2,-0.5 9,-0.2 9,-0.2 -0.955 10.1-166.1-112.0 130.7 -3.5 54.9 4.9 43 43 A L E -A 50 0A 7 7,-2.3 7,-2.4 -2,-0.5 2,-0.8 -0.942 7.4-161.9-119.3 114.9 0.3 55.4 4.7 44 44 A N E +A 49 0A 83 -2,-0.5 5,-0.2 5,-0.2 -2,-0.0 -0.837 12.0 175.7 -92.6 113.6 2.4 53.2 2.5 45 45 A T - 0 0 1 3,-2.0 -1,-0.1 -2,-0.8 4,-0.1 0.543 47.1-118.5 -92.4 -6.4 6.0 53.5 3.7 46 46 A N S S+ 0 0 127 2,-0.2 1069,-0.2 1,-0.0 3,-0.1 0.319 111.7 63.0 81.2 -5.7 7.5 51.0 1.3 47 47 A H S S- 0 0 60 1,-0.7 438,-0.2 1068,-0.1 2,-0.2 0.022 124.2 -32.5-135.7 23.6 8.4 49.1 4.5 48 48 A G - 0 0 9 431,-0.1 -3,-2.0 1065,-0.1 -1,-0.7 -0.460 69.8 -96.1 133.1 153.1 5.0 48.4 6.0 49 49 A H E -A 44 0A 44 -5,-0.2 430,-2.0 -2,-0.2 2,-0.5 -0.726 24.1-152.8-101.7 150.5 1.7 50.2 5.9 50 50 A I E -AB 43 478A 0 -7,-2.4 -7,-2.3 -2,-0.3 2,-0.7 -0.960 5.1-163.4-124.6 115.5 0.3 52.5 8.6 51 51 A L E -AB 42 477A 1 426,-3.9 426,-2.5 -2,-0.5 2,-0.7 -0.862 3.7-172.3 -97.9 116.3 -3.4 52.9 9.1 52 52 A L E -AB 41 476A 0 -11,-2.7 -11,-2.9 -2,-0.7 2,-0.6 -0.946 6.8-175.6-102.8 114.5 -4.5 55.9 11.1 53 53 A D E +AB 40 475A 1 422,-2.5 422,-2.1 -2,-0.7 3,-0.3 -0.922 17.0 163.2-115.0 109.0 -8.2 55.6 11.7 54 54 A Y > + 0 0 16 -15,-1.6 3,-0.7 -2,-0.6 -14,-0.2 0.035 42.7 110.5-110.7 28.1 -9.6 58.6 13.5 55 55 A S T 3 + 0 0 0 1,-0.3 4,-0.2 -16,-0.1 2,-0.2 0.759 65.1 68.2 -75.0 -25.6 -13.2 57.9 12.6 56 56 A K T 3 S+ 0 0 2 417,-0.4 417,-1.7 -3,-0.3 2,-0.3 -0.084 81.7 108.5 -86.2 35.9 -14.2 57.0 16.2 57 57 A N S < S- 0 0 2 -3,-0.7 2,-2.4 415,-0.2 414,-0.1 -0.816 85.0-107.1-108.1 152.7 -13.7 60.7 17.2 58 58 A L S S+ 0 0 5 -2,-0.3 2,-0.3 412,-0.1 -35,-0.1 -0.503 81.2 115.1 -76.6 81.6 -16.4 63.2 18.1 59 59 A V - 0 0 0 -2,-2.4 2,-0.3 -4,-0.2 -2,-0.1 -1.000 46.8-163.9-157.4 145.0 -16.0 65.0 14.9 60 60 A T > - 0 0 26 -2,-0.3 4,-2.4 1,-0.1 5,-0.2 -0.777 46.6 -97.4-119.9 169.9 -17.7 65.9 11.6 61 61 A E H > S+ 0 0 92 -2,-0.3 4,-2.1 1,-0.2 5,-0.2 0.877 127.0 54.4 -54.9 -35.7 -16.4 67.2 8.4 62 62 A E H > S+ 0 0 106 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.923 107.3 48.6 -65.4 -43.3 -17.4 70.7 9.6 63 63 A V H > S+ 0 0 0 2,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.908 111.1 50.0 -64.3 -43.1 -15.4 70.3 12.9 64 64 A M H X S+ 0 0 11 -4,-2.4 4,-2.9 1,-0.2 5,-0.3 0.930 107.6 53.5 -60.9 -45.6 -12.3 69.1 11.1 65 65 A H H X S+ 0 0 122 -4,-2.1 4,-2.7 1,-0.2 -1,-0.2 0.889 110.6 48.5 -54.4 -42.4 -12.5 72.0 8.6 66 66 A M H X S+ 0 0 6 -4,-1.8 4,-2.0 2,-0.2 -1,-0.2 0.880 110.9 49.9 -65.8 -40.2 -12.6 74.3 11.7 67 67 A L H X S+ 0 0 0 -4,-2.3 4,-2.2 2,-0.2 -2,-0.2 0.879 113.3 45.6 -67.9 -37.9 -9.6 72.5 13.3 68 68 A L H X S+ 0 0 8 -4,-2.9 4,-2.7 2,-0.2 -2,-0.2 0.917 108.0 56.0 -73.8 -40.4 -7.5 72.8 10.1 69 69 A D H X S+ 0 0 63 -4,-2.7 4,-3.0 -5,-0.3 5,-0.2 0.938 109.9 49.3 -51.4 -45.8 -8.5 76.5 9.6 70 70 A L H X S+ 0 0 0 -4,-2.0 4,-1.6 2,-0.2 -2,-0.2 0.945 106.8 51.4 -60.7 -50.4 -7.1 76.9 13.1 71 71 A A H <>S+ 0 0 0 -4,-2.2 5,-2.1 1,-0.2 -1,-0.2 0.906 113.8 49.3 -54.2 -37.2 -3.9 75.1 12.4 72 72 A K H ><5S+ 0 0 91 -4,-2.7 3,-1.8 1,-0.2 -2,-0.2 0.946 109.5 47.0 -67.1 -51.5 -3.6 77.4 9.4 73 73 A S H 3<5S+ 0 0 47 -4,-3.0 -1,-0.2 1,-0.3 -2,-0.2 0.663 108.7 58.1 -69.1 -11.3 -4.3 80.7 11.2 74 74 A R T 3<5S- 0 0 38 -4,-1.6 -1,-0.3 -5,-0.2 -2,-0.2 0.365 114.3-115.4 -99.2 5.2 -1.8 79.7 13.9 75 75 A G T <>5 + 0 0 30 -3,-1.8 4,-2.5 -5,-0.2 5,-0.3 0.794 57.6 155.8 70.2 33.0 1.1 79.3 11.4 76 76 A V H > S+ 0 0 79 -6,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.886 112.9 44.4 -56.9 -44.0 3.2 75.3 8.2 78 78 A A H > S+ 0 0 64 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.884 111.8 50.7 -71.3 -40.7 5.7 78.1 8.7 79 79 A A H X S+ 0 0 27 -4,-2.5 4,-2.3 1,-0.2 -1,-0.2 0.933 109.7 55.5 -59.6 -40.8 6.8 77.1 12.2 80 80 A R H X S+ 0 0 17 -4,-2.5 4,-2.3 -5,-0.3 -2,-0.2 0.913 108.5 44.1 -59.3 -45.6 7.3 73.7 10.6 81 81 A E H X S+ 0 0 57 -4,-1.9 4,-2.2 1,-0.2 -1,-0.2 0.887 109.2 59.3 -66.6 -37.5 9.6 75.1 7.9 82 82 A S H <>S+ 0 0 26 -4,-2.6 5,-2.2 2,-0.2 4,-0.4 0.898 107.6 45.1 -58.6 -41.9 11.4 77.2 10.5 83 83 A M H ><5S+ 0 0 0 -4,-2.3 3,-1.6 1,-0.2 14,-0.2 0.970 114.5 48.0 -65.1 -50.8 12.3 74.0 12.4 84 84 A F H 3<5S+ 0 0 18 -4,-2.3 -2,-0.2 1,-0.3 -1,-0.2 0.742 108.3 56.0 -63.7 -23.6 13.3 72.2 9.3 85 85 A N T 3<5S- 0 0 83 -4,-2.2 26,-0.3 -5,-0.1 -1,-0.3 0.495 116.4-109.0 -88.5 -2.7 15.4 75.2 8.1 86 86 A G T < 5 + 0 0 7 -3,-1.6 -3,-0.2 -4,-0.4 -2,-0.1 0.673 61.2 158.7 86.8 17.2 17.5 75.3 11.3 87 87 A E < - 0 0 92 -5,-2.2 2,-2.5 -6,-0.2 10,-0.6 -0.403 55.9-102.7 -73.5 151.2 16.1 78.5 12.7 88 88 A K + 0 0 72 1,-0.2 8,-0.3 8,-0.2 6,-0.1 -0.399 60.4 151.8 -69.2 72.7 16.4 79.3 16.4 89 89 A I + 0 0 20 -2,-2.5 2,-2.0 -7,-0.2 -1,-0.2 0.774 53.5 83.9 -81.2 -21.8 12.8 78.3 17.3 90 90 A N B >> +F 95 0B 6 5,-2.0 5,-2.1 -3,-0.3 4,-0.9 -0.632 69.3 178.2 -71.4 86.9 13.7 77.3 20.8 91 91 A S T 45 + 0 0 41 -2,-2.0 -1,-0.2 3,-0.2 -2,-0.1 0.834 64.5 53.0 -72.8 -36.0 13.4 81.0 21.6 92 92 A T T 45S+ 0 0 3 1,-0.2 -1,-0.2 -3,-0.2 -2,-0.1 0.913 121.6 32.5 -68.0 -39.6 14.1 81.2 25.3 93 93 A E T 45S- 0 0 43 2,-0.1 -1,-0.2 926,-0.0 -2,-0.2 0.571 106.4-128.5 -91.9 -6.1 17.3 79.3 24.9 94 94 A D T <5 + 0 0 98 -4,-0.9 2,-0.3 1,-0.2 -3,-0.2 0.983 62.2 129.6 54.6 62.8 18.1 80.8 21.5 95 95 A R B < -F 90 0B 85 -5,-2.1 -5,-2.0 -7,-0.1 -1,-0.2 -0.948 60.3-108.5-140.9 161.1 18.7 77.5 19.8 96 96 A A - 0 0 4 -2,-0.3 2,-0.5 -8,-0.3 -8,-0.2 -0.476 22.5-139.1 -83.3 162.1 17.7 75.5 16.8 97 97 A V + 0 0 6 -10,-0.6 3,-0.2 -14,-0.2 -11,-0.2 -0.899 38.7 155.6-123.4 94.5 15.5 72.4 17.2 98 98 A L >> + 0 0 0 170,-2.2 3,-1.4 -2,-0.5 4,-1.0 -0.131 20.8 128.5-125.3 42.3 17.0 69.9 14.9 99 99 A H H 3> S+ 0 0 2 1,-0.3 4,-0.8 2,-0.2 -1,-0.2 0.798 79.0 64.0 -66.9 -22.1 16.3 66.3 15.8 100 100 A V H 34 S+ 0 0 4 -3,-0.2 -1,-0.3 1,-0.2 3,-0.2 0.764 94.7 59.9 -69.1 -22.9 15.1 65.9 12.2 101 101 A A H X4 S+ 0 0 0 -3,-1.4 3,-1.5 1,-0.2 -1,-0.2 0.889 96.2 60.9 -68.8 -37.2 18.7 66.7 11.2 102 102 A L H 3< S+ 0 0 3 -4,-1.0 -1,-0.2 1,-0.3 -2,-0.2 0.835 113.7 34.7 -58.9 -31.5 19.9 63.6 13.1 103 103 A R T 3< S+ 0 0 0 -4,-0.8 2,-1.9 -3,-0.2 -1,-0.3 0.200 81.7 134.0-105.9 10.2 17.8 61.3 10.9 104 104 A N X + 0 0 13 -3,-1.5 3,-1.0 1,-0.2 193,-0.1 -0.412 22.6 169.2 -68.0 83.4 18.2 63.3 7.7 105 105 A R T 3 S+ 0 0 74 -2,-1.9 -1,-0.2 1,-0.3 192,-0.1 0.724 72.7 62.7 -70.1 -22.7 19.0 60.5 5.3 106 106 A S T 3 S- 0 0 68 -3,-0.1 -1,-0.3 2,-0.1 -2,-0.1 0.737 96.3-143.4 -73.3 -19.7 18.7 62.7 2.3 107 107 A N < + 0 0 73 -3,-1.0 -2,-0.1 1,-0.2 3,-0.1 0.636 34.7 168.9 62.7 16.1 21.6 64.7 3.7 108 108 A T - 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0 0 84 -2,-1.8 3,-2.7 1,-0.2 4,-0.4 -0.756 64.9-148.2 -87.4 120.4 44.3 49.8 37.6 235 235 A P G > S+ 0 0 83 0, 0.0 3,-1.4 0, 0.0 4,-0.4 0.792 96.3 66.9 -54.8 -28.9 42.7 53.1 36.9 236 236 A S G > S+ 0 0 76 1,-0.3 3,-0.5 2,-0.2 4,-0.2 0.713 88.6 69.6 -67.5 -15.7 44.0 53.0 33.3 237 237 A T G X> S+ 0 0 14 -3,-2.7 3,-2.2 1,-0.2 4,-0.5 0.771 77.1 79.5 -70.0 -28.2 41.7 50.1 32.8 238 238 A V H X> S+ 0 0 2 -3,-1.4 3,-2.4 -4,-0.4 4,-1.3 0.896 81.4 67.2 -45.8 -43.8 38.6 52.4 33.0 239 239 A A H <4 S+ 0 0 29 -3,-0.5 19,-0.3 -4,-0.4 -1,-0.3 0.680 99.2 49.3 -55.6 -22.1 39.2 53.5 29.4 240 240 A K H <4 S+ 0 0 101 -3,-2.2 -1,-0.3 -4,-0.2 -2,-0.2 0.533 118.3 38.4 -93.0 -8.7 38.4 50.0 28.1 241 241 A H H << S+ 0 0 0 -3,-2.4 -36,-3.3 -4,-0.5 2,-0.4 0.382 111.3 56.3-122.9 0.5 35.1 49.7 30.0 242 242 A F E < +j 205 0D 0 -4,-1.3 16,-0.5 -38,-0.2 2,-0.3 -0.997 50.9 168.7-139.4 130.0 33.7 53.2 29.8 243 243 A V E -j 206 0D 0 -38,-2.1 -36,-2.0 -2,-0.4 2,-0.4 -0.838 24.5-132.3-128.7 171.3 32.9 55.3 26.9 244 244 A A E -jk 207 262D 0 17,-2.8 19,-2.9 -2,-0.3 2,-0.9 -0.975 17.2-153.1-139.1 141.0 30.9 58.6 26.9 245 245 A L E +jk 208 263D 0 -38,-2.6 -36,-2.9 -2,-0.4 2,-0.3 -0.843 65.3 97.0-102.1 96.4 28.0 60.4 25.1 246 246 A S - 0 0 0 -2,-0.9 -36,-0.2 17,-0.8 -35,-0.2 -0.919 68.3-133.9-162.8 179.2 29.0 64.0 25.8 247 247 A T S S+ 0 0 39 -37,-2.1 2,-1.9 -38,-0.3 3,-0.2 0.365 78.6 98.3-124.8 -9.2 30.7 67.2 24.6 248 248 A N > + 0 0 50 -38,-0.8 4,-2.3 -39,-0.3 5,-0.2 -0.527 46.9 175.2 -85.8 76.3 32.7 67.9 27.8 249 249 A T H > S+ 0 0 79 -2,-1.9 4,-2.5 1,-0.2 5,-0.2 0.881 75.2 50.8 -49.2 -47.2 36.0 66.4 26.7 250 250 A A H > S+ 0 0 64 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.940 111.1 46.0 -59.0 -50.3 37.8 67.6 29.8 251 251 A K H > S+ 0 0 81 1,-0.2 4,-0.8 2,-0.2 -1,-0.2 0.847 112.8 53.1 -65.0 -29.8 35.3 66.1 32.3 252 252 A V H >X>S+ 0 0 0 -4,-2.3 5,-1.8 2,-0.2 4,-0.6 0.928 110.9 44.0 -68.5 -45.7 35.3 62.9 30.3 253 253 A K H ><5S+ 0 0 153 -4,-2.5 3,-1.2 1,-0.2 -2,-0.2 0.892 108.3 58.8 -67.8 -37.6 39.1 62.5 30.4 254 254 A E H 3<5S+ 0 0 139 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.768 102.2 55.5 -61.4 -26.9 39.1 63.4 34.0 255 255 A F H <<5S- 0 0 16 -4,-0.8 -1,-0.3 -3,-0.5 -2,-0.2 0.709 124.9-102.5 -78.4 -21.6 36.8 60.4 34.6 256 256 A G T <<5S+ 0 0 29 -3,-1.2 2,-0.3 -4,-0.6 -3,-0.2 0.382 78.4 134.2 109.8 2.7 39.2 58.0 33.0 257 257 A I < - 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r 0 968G 52 -71,-0.2 2,-1.3 -431,-0.2 -1,-0.2 -0.966 63.1-105.6-166.4 154.6 12.2 51.4 56.0 1039 481 B L + 0 0 5 -71,-0.6 -69,-0.0 -2,-0.3 -2,-0.0 -0.625 58.1 152.9 -95.6 79.7 10.4 49.4 53.2 1040 482 B T > - 0 0 18 -2,-1.3 4,-2.9 1,-0.1 5,-0.3 -0.497 62.1 -97.5 -95.9 170.3 10.1 46.0 54.9 1041 483 B P H > S+ 0 0 5 0, 0.0 4,-2.0 0, 0.0 5,-0.1 0.917 124.7 49.8 -55.0 -44.1 7.4 43.4 54.2 1042 484 B F H > S+ 0 0 14 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.971 112.7 44.5 -60.2 -55.8 5.4 44.6 57.2 1043 485 B I H > S+ 0 0 0 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.915 111.6 53.3 -56.7 -45.9 5.5 48.3 56.3 1044 486 B L H X S+ 0 0 0 -4,-2.9 4,-2.5 1,-0.2 -1,-0.2 0.895 108.2 52.9 -54.6 -40.8 4.7 47.6 52.6 1045 487 B G H X S+ 0 0 0 -4,-2.0 4,-2.3 -5,-0.3 -2,-0.2 0.940 109.7 45.9 -60.6 -49.5 1.7 45.6 53.9 1046 488 B A H X S+ 0 0 0 -4,-2.3 4,-2.0 1,-0.2 -1,-0.2 0.860 112.4 52.8 -60.5 -39.1 0.4 48.5 56.0 1047 489 B L H X S+ 0 0 1 -4,-2.5 4,-1.8 2,-0.2 -2,-0.2 0.924 109.1 46.9 -65.8 -47.7 1.0 50.9 53.0 1048 490 B I H X S+ 0 0 0 -4,-2.5 4,-2.2 1,-0.2 -2,-0.2 0.941 113.9 48.3 -60.8 -46.0 -1.0 48.9 50.5 1049 491 B A H X S+ 0 0 0 -4,-2.3 4,-2.7 1,-0.2 -1,-0.2 0.866 105.2 60.1 -62.2 -35.8 -3.8 48.5 53.0 1050 492 B M H X S+ 0 0 1 -4,-2.0 4,-1.2 1,-0.2 -1,-0.2 0.926 109.2 42.0 -58.2 -46.5 -3.8 52.2 53.7 1051 493 B Y H X S+ 0 0 9 -4,-1.8 4,-2.2 2,-0.2 -1,-0.2 0.866 110.3 58.2 -68.7 -35.6 -4.5 53.0 50.1 1052 494 B E H X S+ 0 0 2 -4,-2.2 4,-2.2 1,-0.2 -2,-0.2 0.942 109.5 44.5 -56.9 -46.6 -7.1 50.1 50.0 1053 495 B H H X S+ 0 0 0 -4,-2.7 4,-2.0 1,-0.2 -1,-0.2 0.762 107.9 57.6 -73.2 -22.0 -9.0 51.8 52.8 1054 496 B K H X S+ 0 0 6 -4,-1.2 4,-2.1 -5,-0.2 -1,-0.2 0.909 107.9 48.0 -70.4 -41.7 -8.6 55.2 51.2 1055 497 B I H X S+ 0 0 1 -4,-2.2 4,-2.2 1,-0.2 -2,-0.2 0.922 109.3 54.4 -63.6 -42.6 -10.4 53.8 48.1 1056 498 B F H X S+ 0 0 6 -4,-2.2 4,-2.1 1,-0.2 -2,-0.2 0.926 108.6 47.8 -55.8 -45.9 -13.0 52.3 50.4 1057 499 B V H X S+ 0 0 0 -4,-2.0 4,-3.0 1,-0.2 5,-0.2 0.913 109.3 50.8 -67.5 -41.8 -13.8 55.7 52.0 1058 500 B Q H X S+ 0 0 0 -4,-2.1 4,-2.4 1,-0.2 -1,-0.2 0.923 109.7 53.2 -61.5 -41.3 -14.1 57.6 48.8 1059 501 B G H X>S+ 0 0 1 -4,-2.2 5,-2.0 2,-0.2 4,-0.6 0.921 109.6 47.1 -59.3 -44.4 -16.5 54.9 47.5 1060 502 B V H ><5S+ 0 0 23 -4,-2.1 3,-1.2 2,-0.2 -2,-0.2 0.946 111.3 50.8 -63.9 -45.3 -18.6 55.3 50.6 1061 503 B V H 3<5S+ 0 0 0 -4,-3.0 -1,-0.2 1,-0.3 -2,-0.2 0.882 115.5 43.2 -60.1 -36.2 -18.6 59.1 50.3 1062 504 B W H 3<5S- 0 0 1 -4,-2.4 -1,-0.3 -5,-0.2 -2,-0.2 0.493 106.6-130.2 -85.4 -8.1 -19.7 58.8 46.6 1063 505 B D T <<5 + 0 0 38 -3,-1.2 -140,-2.6 -4,-0.6 -139,-0.3 0.839 63.2 129.2 60.0 32.5 -22.2 56.1 47.4 1064 506 B I < - 0 0 5 -5,-2.0 2,-0.8 -142,-0.2 -1,-0.2 -0.624 67.1-103.5-108.2 177.6 -20.9 53.8 44.7 1065 507 B N > - 0 0 3 -144,-0.5 3,-0.9 -2,-0.2 -144,-0.1 -0.869 28.0-172.6-107.3 104.5 -19.9 50.1 44.9 1066 508 B S T 3 S+ 0 0 4 -2,-0.8 -1,-0.1 1,-0.2 -148,-0.1 0.507 75.8 61.4 -73.6 -0.5 -16.1 49.9 44.9 1067 509 B F T 3 S+ 0 0 19 -420,-0.1 -1,-0.2 -150,-0.1 2,-0.2 0.470 87.0 68.7-117.4 0.9 -16.2 46.1 44.7 1068 510 B D < - 0 0 2 -3,-0.9 -419,-0.0 -152,-0.2 3,-0.0 -0.454 53.5-160.8-102.5-178.1 -17.9 45.2 41.4 1069 511 B Q > + 0 0 54 -2,-0.2 3,-1.3 -677,-0.0 4,-0.2 -0.266 26.2 154.3-162.6 62.4 -16.6 45.7 37.8 1070 512 B W G > + 0 0 35 1,-0.3 3,-1.2 2,-0.1 4,-0.4 0.649 61.4 83.7 -71.6 -12.1 -19.4 45.5 35.3 1071 513 B G G 3 S+ 0 0 0 1,-0.2 4,-0.4 -156,-0.1 -1,-0.3 0.583 80.1 62.3 -69.1 -9.9 -17.5 47.6 32.9 1072 514 B V G <> S+ 0 0 33 -3,-1.3 4,-1.6 1,-0.2 -1,-0.2 0.664 83.3 80.2 -89.2 -14.8 -15.5 44.7 31.5 1073 515 B E H <> S+ 0 0 64 -3,-1.2 4,-2.3 -4,-0.2 5,-0.2 0.871 86.4 52.3 -62.2 -44.5 -18.5 42.8 30.1 1074 516 B L H > S+ 0 0 5 -4,-0.4 4,-2.5 1,-0.2 5,-0.2 0.919 108.5 50.8 -60.7 -48.1 -19.1 44.7 26.9 1075 517 B G H > S+ 0 0 0 -4,-0.4 4,-2.1 1,-0.2 -1,-0.2 0.891 110.8 48.9 -57.6 -44.9 -15.5 44.4 25.7 1076 518 B K H X S+ 0 0 113 -4,-1.6 4,-1.8 2,-0.2 -1,-0.2 0.932 112.2 47.1 -64.3 -43.8 -15.4 40.7 26.3 1077 519 B Q H X S+ 0 0 55 -4,-2.3 4,-1.4 1,-0.2 -2,-0.2 0.936 113.1 48.4 -68.1 -38.6 -18.6 40.0 24.5 1078 520 B L H X S+ 0 0 18 -4,-2.5 4,-1.7 1,-0.2 -1,-0.2 0.879 109.8 53.0 -66.3 -36.9 -17.7 42.1 21.5 1079 521 B A H X S+ 0 0 3 -4,-2.1 4,-2.2 1,-0.2 -1,-0.2 0.800 103.8 56.7 -67.1 -32.8 -14.2 40.4 21.3 1080 522 B K H < S+ 0 0 112 -4,-1.8 -1,-0.2 2,-0.2 -2,-0.2 0.879 107.0 49.6 -66.6 -36.2 -15.9 37.0 21.2 1081 523 B K H X S+ 0 0 111 -4,-1.4 4,-0.6 1,-0.2 -2,-0.2 0.925 112.8 46.6 -68.0 -42.8 -17.9 38.0 18.2 1082 524 B I H >X S+ 0 0 0 -4,-1.7 4,-1.2 1,-0.2 3,-0.9 0.876 93.4 79.1 -66.3 -40.3 -14.8 39.3 16.4 1083 525 B E H >< S+ 0 0 19 -4,-2.2 3,-0.9 1,-0.3 4,-0.4 0.827 99.9 36.0 -39.7 -60.3 -12.5 36.4 17.0 1084 526 B P H >4 S+ 0 0 77 0, 0.0 3,-1.0 0, 0.0 -1,-0.3 0.763 107.8 66.7 -69.9 -25.3 -13.9 34.0 14.4 1085 527 B E H << S+ 0 0 55 -3,-0.9 -2,-0.2 -4,-0.6 -3,-0.1 0.752 92.1 65.4 -65.7 -22.0 -14.5 36.8 11.9 1086 528 B L T << S+ 0 0 2 -4,-1.2 -1,-0.2 -3,-0.9 2,-0.2 0.746 82.4 87.5 -70.9 -27.5 -10.7 37.2 11.8 1087 529 B D S < S+ 0 0 98 -3,-1.0 3,-0.1 -4,-0.4 2,-0.1 -0.546 81.6 29.3 -71.9 140.4 -10.1 33.8 10.2 1088 530 B G S S- 0 0 41 -2,-0.2 0, 0.0 1,-0.1 0, 0.0 -0.150 82.2 -94.8 99.8 167.0 -10.3 33.9 6.4 1089 531 B S S S+ 0 0 102 2,-0.1 -1,-0.1 -2,-0.1 -2,-0.0 0.707 82.3 98.9 -96.7 -27.1 -9.7 36.2 3.5 1090 532 B S S S- 0 0 71 1,-0.1 17,-0.0 -3,-0.1 2,-0.0 -0.295 77.1 -98.2 -74.6 154.0 -13.1 37.7 2.8 1091 533 B P - 0 0 88 0, 0.0 2,-0.4 0, 0.0 -1,-0.1 -0.264 25.2-131.2 -74.1 150.8 -14.1 41.1 4.1 1092 534 B V + 0 0 15 8,-0.3 12,-0.2 1,-0.1 11,-0.1 -0.860 31.5 163.1-101.9 133.4 -16.2 41.8 7.2 1093 535 B T + 0 0 115 -2,-0.4 -1,-0.1 11,-0.0 7,-0.1 0.177 48.9 98.2-130.4 10.1 -19.2 44.1 6.8 1094 536 B S S S+ 0 0 77 6,-0.1 2,-0.1 5,-0.1 3,-0.1 0.479 78.3 47.5 -85.8 -3.9 -21.2 43.3 9.9 1095 537 B H S S- 0 0 36 1,-0.3 2,-0.1 2,-0.1 -662,-0.0 -0.366 103.8 -53.1-115.7-160.2 -20.1 46.1 12.2 1096 538 B D > - 0 0 25 -2,-0.1 4,-2.8 1,-0.1 -1,-0.3 -0.393 62.8-102.6 -71.0 157.8 -19.6 49.9 12.1 1097 539 B S H > S+ 0 0 22 2,-0.2 4,-3.0 1,-0.2 5,-0.2 0.828 120.5 51.3 -56.8 -35.3 -17.5 51.1 9.1 1098 540 B S H > S+ 0 0 0 2,-0.2 4,-3.4 1,-0.2 5,-0.3 0.994 111.7 43.4 -64.5 -63.3 -14.5 51.6 11.4 1099 541 B T H > S+ 0 0 0 1,-0.2 4,-2.1 2,-0.2 -2,-0.2 0.906 118.4 49.1 -46.0 -44.8 -14.5 48.2 13.1 1100 542 B N H X S+ 0 0 19 -4,-2.8 4,-2.3 1,-0.2 -8,-0.3 0.936 112.6 45.5 -61.6 -47.8 -15.1 46.8 9.6 1101 543 B G H X S+ 0 0 9 -4,-3.0 4,-2.0 -5,-0.2 -2,-0.2 0.891 111.4 52.0 -66.0 -40.5 -12.3 48.8 8.0 1102 544 B L H X S+ 0 0 0 -4,-3.4 4,-1.7 2,-0.2 -1,-0.2 0.920 110.9 48.2 -61.9 -42.0 -9.8 48.0 10.7 1103 545 B I H X S+ 0 0 0 -4,-2.1 4,-2.1 -5,-0.3 -2,-0.2 0.909 111.7 49.2 -65.9 -43.6 -10.6 44.2 10.3 1104 546 B N H X S+ 0 0 50 -4,-2.3 4,-2.0 1,-0.2 -1,-0.2 0.818 108.3 53.7 -66.4 -30.9 -10.2 44.4 6.6 1105 547 B F H X S+ 0 0 16 -4,-2.0 4,-2.3 2,-0.2 -1,-0.2 0.868 107.6 51.8 -72.0 -33.6 -6.9 46.2 6.9 1106 548 B I H X S+ 0 0 2 -4,-1.7 4,-1.2 2,-0.2 -2,-0.2 0.927 110.6 47.2 -67.4 -41.7 -5.7 43.4 9.2 1107 549 B K H X S+ 0 0 14 -4,-2.1 4,-0.6 2,-0.2 3,-0.2 0.897 113.7 48.2 -65.7 -41.9 -6.7 40.7 6.7 1108 550 B Q H >< S+ 0 0 118 -4,-2.0 3,-0.6 1,-0.2 4,-0.5 0.945 118.3 39.2 -63.6 -46.6 -5.1 42.6 3.8 1109 551 B Q H 3< S+ 0 0 12 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.494 97.7 74.3 -86.8 -5.3 -1.8 43.2 5.6 1110 552 B R H 3< S+ 0 0 77 -4,-1.2 -1,-0.2 -3,-0.2 -2,-0.1 0.773 99.0 50.4 -76.7 -21.5 -1.4 40.0 7.5 1111 553 B E S << S+ 0 0 126 -3,-0.6 -1,-0.2 -4,-0.6 -2,-0.2 0.783 87.1 113.4 -82.1 -31.7 -0.4 38.5 4.1 1112 554 B A - 0 0 30 -4,-0.5 2,-0.6 1,-0.1 -3,-0.0 -0.060 59.2-143.8 -50.2 133.4 2.2 41.1 3.4 1113 555 B K + 0 0 178 -1065,-0.0 2,-0.3 0, 0.0 -1,-0.1 -0.920 31.7 179.5-104.0 119.8 5.9 40.2 3.2 1114 556 B I 0 0 45 -2,-0.6 -1067,-0.1 1,-0.1 -1066,-0.1 -0.751 360.0 360.0-120.0 159.2 7.7 43.1 4.6 1115 557 B Q 0 0 179 -2,-0.3 -1,-0.1 -1069,-0.2 -1068,-0.1 0.506 360.0 360.0-130.0 360.0 11.3 44.0 5.3