==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=13-NOV-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ISOMERASE 04-DEC-00 1HM5 . COMPND 2 MOLECULE: PHOSPHOGLUCOSE ISOMERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ORYCTOLAGUS CUNICULUS; . AUTHOR D.A.ARSENIEVA,C.J.JEFFERY,R.HARDRE,L.SALMON . 1112 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 37043.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 814 73.2 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 . 45 4.0 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 . 72 6.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 134 12.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 437 39.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 25 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 4 6 2 4 3 0 0 8 3 0 0 0 2 2 4 1 1 0 0 0 0 0 0 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 . 10 1 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 . 1 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 44 0, 0.0 4,-0.6 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 135.1 -2.4 27.8 24.5 2 2 A A H >> + 0 0 4 1,-0.2 3,-1.7 2,-0.2 4,-0.9 0.900 360.0 58.5 -57.6 -61.4 -2.9 27.1 20.8 3 3 A L H >4 S+ 0 0 0 1,-0.3 3,-1.5 2,-0.2 6,-0.2 0.859 105.1 50.5 -43.0 -52.3 -5.0 23.9 20.7 4 4 A T H 34 S+ 0 0 39 1,-0.3 -1,-0.3 -3,-0.1 -2,-0.2 0.750 112.5 48.2 -61.1 -25.1 -8.0 25.4 22.6 5 5 A R H << S+ 0 0 170 -3,-1.7 -1,-0.3 -4,-0.6 -2,-0.2 0.495 86.6 113.1 -93.3 -5.4 -8.0 28.4 20.3 6 6 A N S+ 0 0 79 0, 0.0 4,-2.1 0, 0.0 5,-0.2 0.882 100.4 50.9 -55.2 -46.6 -11.0 26.5 15.0 8 8 A Q H > S+ 0 0 63 2,-0.2 4,-2.2 1,-0.2 62,-0.2 0.889 109.4 51.3 -62.4 -39.8 -10.9 22.8 14.0 9 9 A F H > S+ 0 0 3 -6,-0.2 4,-2.8 1,-0.2 -1,-0.2 0.946 109.9 48.9 -62.3 -49.0 -10.5 21.8 17.6 10 10 A Q H X S+ 0 0 104 -4,-2.2 4,-3.0 1,-0.2 -1,-0.2 0.871 109.9 51.7 -59.3 -39.1 -13.5 23.8 18.7 11 11 A K H X S+ 0 0 111 -4,-2.1 4,-2.5 2,-0.2 -1,-0.2 0.919 110.5 49.1 -64.4 -42.1 -15.6 22.4 15.9 12 12 A L H X S+ 0 0 0 -4,-2.2 4,-2.5 2,-0.2 -2,-0.2 0.952 113.4 46.3 -60.2 -51.3 -14.6 18.9 17.0 13 13 A Q H X S+ 0 0 84 -4,-2.8 4,-2.8 1,-0.2 5,-0.2 0.926 111.5 51.4 -56.8 -49.3 -15.6 19.7 20.6 14 14 A Q H X S+ 0 0 117 -4,-3.0 4,-1.4 1,-0.2 -1,-0.2 0.916 111.4 48.0 -56.0 -45.4 -18.9 21.3 19.6 15 15 A W H X S+ 0 0 23 -4,-2.5 4,-2.8 1,-0.2 5,-0.5 0.904 112.9 47.6 -63.3 -42.6 -19.8 18.2 17.5 16 16 A H H X S+ 0 0 35 -4,-2.5 4,-1.9 1,-0.2 5,-0.5 0.875 106.5 57.4 -66.9 -37.5 -18.9 15.8 20.4 17 17 A R H < S+ 0 0 215 -4,-2.8 -1,-0.2 -5,-0.2 -2,-0.2 0.850 118.1 34.5 -60.8 -33.3 -20.8 17.9 22.9 18 18 A E H < S+ 0 0 121 -4,-1.4 -2,-0.2 -5,-0.2 -1,-0.2 0.785 139.1 11.4 -93.6 -32.3 -23.9 17.4 20.6 19 19 A H H >X S+ 0 0 74 -4,-2.8 3,-1.6 -5,-0.1 4,-0.8 0.504 94.9 101.0-125.3 -8.8 -23.4 13.9 19.2 20 20 A G G >< S+ 0 0 2 -4,-1.9 3,-1.3 -5,-0.5 -3,-0.1 0.889 86.7 41.9 -43.9 -61.4 -20.6 12.3 21.2 21 21 A S G 34 S+ 0 0 125 -5,-0.5 -1,-0.3 1,-0.2 -4,-0.1 0.513 105.6 68.7 -70.0 -3.8 -22.6 10.1 23.6 22 22 A E G <4 S+ 0 0 104 -3,-1.6 -1,-0.2 2,-0.0 -2,-0.2 0.692 72.3 107.3 -87.6 -20.0 -24.9 9.1 20.7 23 23 A L << - 0 0 7 -3,-1.3 2,-0.4 -4,-0.8 35,-0.1 -0.384 46.1-179.4 -62.4 130.3 -22.3 7.1 18.9 24 24 A N > - 0 0 67 1,-0.1 4,-2.3 -2,-0.1 3,-0.3 -0.939 21.9-154.7-138.8 113.0 -22.9 3.3 19.2 25 25 A L H > S+ 0 0 0 -2,-0.4 4,-2.5 1,-0.2 5,-0.3 0.896 95.6 53.2 -50.4 -51.9 -20.6 0.8 17.6 26 26 A R H > S+ 0 0 69 410,-0.5 4,-2.0 1,-0.2 -1,-0.2 0.902 112.8 45.8 -54.1 -42.3 -23.1 -2.0 17.3 27 27 A H H > S+ 0 0 112 -3,-0.3 4,-1.4 2,-0.2 -1,-0.2 0.879 109.8 54.1 -68.5 -40.1 -25.4 0.4 15.4 28 28 A L H < S+ 0 0 23 -4,-2.3 -2,-0.2 1,-0.2 4,-0.2 0.904 112.9 42.3 -62.3 -43.1 -22.6 1.7 13.2 29 29 A F H >< S+ 0 0 13 -4,-2.5 3,-1.1 1,-0.2 -1,-0.2 0.883 111.0 56.5 -71.3 -37.8 -21.7 -1.8 12.0 30 30 A D H 3< S+ 0 0 124 -4,-2.0 -1,-0.2 -5,-0.3 -2,-0.2 0.756 113.7 40.1 -65.0 -25.1 -25.4 -2.8 11.6 31 31 A T T 3< S+ 0 0 93 -4,-1.4 -1,-0.2 1,-0.2 2,-0.2 0.272 113.6 53.8-109.1 11.1 -26.0 0.1 9.3 32 32 A D X - 0 0 34 -3,-1.1 3,-1.8 -4,-0.2 4,-0.3 -0.717 50.3-177.6-150.5 94.8 -22.8 0.1 7.2 33 33 A K T 3 S+ 0 0 188 1,-0.3 3,-0.3 -2,-0.2 4,-0.3 0.712 89.9 53.9 -62.2 -22.1 -21.7 -3.1 5.5 34 34 A E T 3> S+ 0 0 88 1,-0.2 4,-2.7 2,-0.1 -1,-0.3 0.331 74.0 108.5 -95.7 6.9 -18.5 -1.3 4.3 35 35 A R H <> S+ 0 0 2 -3,-1.8 4,-2.0 1,-0.2 -1,-0.2 0.902 80.3 46.3 -53.0 -48.3 -17.4 -0.1 7.7 36 36 A F H 4 S+ 0 0 26 -3,-0.3 3,-0.3 -4,-0.3 -1,-0.2 0.953 114.7 48.5 -59.0 -48.4 -14.4 -2.4 8.0 37 37 A N H >4 S+ 0 0 92 -4,-0.3 3,-0.5 1,-0.2 -1,-0.2 0.863 116.2 43.1 -59.3 -38.2 -13.4 -1.5 4.4 38 38 A H H 3< S+ 0 0 97 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.699 117.4 44.4 -83.6 -19.9 -13.7 2.2 5.1 39 39 A F T 3< S+ 0 0 3 -4,-2.0 15,-1.3 -3,-0.3 2,-0.3 -0.282 104.0 63.0-121.9 49.3 -12.0 2.3 8.5 40 40 A S E < -A 53 0A 11 -3,-0.5 2,-0.3 13,-0.2 13,-0.2 -0.971 57.2-152.6-158.8 163.1 -9.0 0.1 8.1 41 41 A L E -A 52 0A 14 11,-1.8 11,-2.9 -2,-0.3 2,-0.5 -0.990 5.9-150.3-147.4 137.5 -5.7 -0.0 6.2 42 42 A T E -A 51 0A 91 -2,-0.3 2,-0.5 9,-0.2 9,-0.2 -0.926 13.7-159.6-109.0 130.6 -3.5 -2.9 5.0 43 43 A L E -A 50 0A 18 7,-2.8 7,-2.4 -2,-0.5 2,-0.7 -0.946 6.1-160.9-116.1 122.3 0.2 -2.2 4.7 44 44 A N E +A 49 0A 84 -2,-0.5 5,-0.2 5,-0.2 -2,-0.0 -0.900 12.8 174.5-100.9 113.9 2.4 -4.4 2.5 45 45 A T - 0 0 1 3,-2.1 -1,-0.1 -2,-0.7 4,-0.1 0.436 49.8-116.9 -95.7 -2.6 6.0 -3.8 3.6 46 46 A N S S+ 0 0 129 2,-0.3 3,-0.1 1,-0.0 -2,-0.1 0.291 112.4 66.9 80.6 -7.6 7.4 -6.6 1.3 47 47 A H S S- 0 0 82 1,-0.6 438,-0.2 251,-0.0 2,-0.2 -0.097 123.2 -38.6-130.2 31.4 8.5 -8.3 4.5 48 48 A G - 0 0 7 431,-0.1 -3,-2.1 1064,-0.1 -1,-0.6 -0.413 67.7 -93.5 125.6 157.4 5.0 -9.0 5.8 49 49 A H E -A 44 0A 48 -5,-0.2 430,-2.1 -2,-0.2 2,-0.5 -0.790 23.9-157.1-106.5 149.7 1.6 -7.3 6.0 50 50 A I E -AB 43 478A 2 -7,-2.4 -7,-2.8 -2,-0.3 2,-0.6 -0.984 5.1-161.9-127.1 120.0 0.3 -5.1 8.8 51 51 A L E -AB 42 477A 1 426,-3.8 426,-2.3 -2,-0.5 2,-0.8 -0.903 2.1-167.7-103.8 120.4 -3.5 -4.6 9.1 52 52 A L E -AB 41 476A 1 -11,-2.9 -11,-1.8 -2,-0.6 2,-0.8 -0.907 7.1-173.7-108.2 101.8 -4.6 -1.7 11.2 53 53 A D E +AB 40 475A 1 422,-3.0 422,-2.3 -2,-0.8 3,-0.3 -0.860 17.4 161.1 -98.9 103.5 -8.3 -2.1 11.8 54 54 A Y > + 0 0 11 -15,-1.3 3,-0.6 -2,-0.8 -14,-0.2 0.066 41.9 108.5-109.3 24.2 -9.6 1.0 13.5 55 55 A S T 3 + 0 0 0 1,-0.2 4,-0.2 -16,-0.2 -1,-0.2 0.711 63.4 69.4 -73.9 -23.4 -13.3 0.3 12.7 56 56 A K T 3 S+ 0 0 1 417,-0.4 417,-1.6 -3,-0.3 2,-0.3 -0.051 81.9 108.3 -86.4 34.5 -14.3 -0.6 16.2 57 57 A N S < S- 0 0 2 -3,-0.6 2,-2.2 415,-0.2 414,-0.0 -0.752 85.4-105.2-108.5 158.3 -13.8 3.0 17.2 58 58 A L S S+ 0 0 2 -2,-0.3 2,-0.3 264,-0.1 -35,-0.1 -0.430 82.0 109.1 -81.4 66.9 -16.5 5.6 18.1 59 59 A V - 0 0 0 -2,-2.2 2,-0.3 -4,-0.2 -2,-0.1 -0.940 48.0-160.8-140.7 160.0 -16.1 7.5 14.9 60 60 A T > - 0 0 24 -2,-0.3 4,-2.4 1,-0.0 5,-0.2 -0.785 47.4 -93.5-128.9 172.0 -17.9 8.2 11.6 61 61 A E H > S+ 0 0 103 -2,-0.3 4,-2.4 1,-0.2 5,-0.2 0.897 128.8 54.2 -55.7 -38.8 -16.6 9.5 8.3 62 62 A E H > S+ 0 0 102 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.918 107.5 48.5 -61.3 -46.3 -17.5 13.0 9.5 63 63 A V H > S+ 0 0 0 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.909 111.7 49.1 -61.8 -43.9 -15.5 12.6 12.8 64 64 A M H X S+ 0 0 14 -4,-2.4 4,-2.7 2,-0.2 5,-0.2 0.916 109.7 52.4 -63.4 -41.5 -12.4 11.3 10.9 65 65 A H H X S+ 0 0 117 -4,-2.4 4,-2.2 -5,-0.2 -2,-0.2 0.949 110.9 47.3 -58.8 -48.5 -12.7 14.2 8.5 66 66 A M H X S+ 0 0 9 -4,-2.4 4,-1.8 1,-0.2 -1,-0.2 0.872 111.9 50.2 -61.0 -38.9 -12.8 16.7 11.4 67 67 A L H X S+ 0 0 0 -4,-2.4 4,-2.2 2,-0.2 -1,-0.2 0.893 110.8 49.0 -67.1 -39.7 -9.9 14.9 13.2 68 68 A L H X S+ 0 0 10 -4,-2.7 4,-2.1 2,-0.2 -2,-0.2 0.865 108.2 53.9 -68.7 -34.7 -7.8 15.1 10.0 69 69 A D H X S+ 0 0 56 -4,-2.2 4,-2.8 -5,-0.2 -1,-0.2 0.902 108.3 50.7 -64.4 -39.9 -8.6 18.8 9.5 70 70 A L H X S+ 0 0 0 -4,-1.8 4,-1.2 2,-0.2 -2,-0.2 0.934 107.9 51.8 -62.1 -47.4 -7.3 19.4 13.1 71 71 A A H <>S+ 0 0 0 -4,-2.2 5,-1.9 1,-0.2 3,-0.3 0.907 112.7 46.6 -55.9 -43.3 -4.1 17.5 12.3 72 72 A K H ><5S+ 0 0 86 -4,-2.1 3,-2.0 1,-0.2 -2,-0.2 0.949 110.9 49.6 -65.9 -49.5 -3.6 19.7 9.2 73 73 A S H 3<5S+ 0 0 46 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.638 106.0 58.6 -66.6 -13.4 -4.4 23.0 11.0 74 74 A R T 3<5S- 0 0 34 -4,-1.2 -1,-0.3 -3,-0.3 -2,-0.2 0.355 115.1-117.0 -95.2 4.6 -1.9 22.1 13.8 75 75 A G T <>5 + 0 0 28 -3,-2.0 4,-2.5 -5,-0.1 5,-0.2 0.816 57.6 156.2 66.7 34.8 0.9 21.8 11.2 76 76 A V H > S+ 0 0 84 -6,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.932 111.6 45.3 -65.6 -46.7 3.0 17.9 8.2 78 78 A A H > S+ 0 0 67 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.908 113.4 52.1 -63.6 -39.3 5.4 20.9 8.5 79 79 A A H X S+ 0 0 25 -4,-2.5 4,-1.8 1,-0.2 -1,-0.2 0.899 107.0 53.0 -62.3 -42.3 6.5 19.6 11.9 80 80 A R H X S+ 0 0 19 -4,-2.2 4,-2.5 -5,-0.2 5,-0.2 0.930 108.3 49.4 -59.1 -48.4 7.3 16.2 10.5 81 81 A E H X S+ 0 0 55 -4,-2.0 4,-2.7 1,-0.2 6,-0.2 0.905 107.1 55.6 -59.2 -42.5 9.5 17.6 7.8 82 82 A S H <>S+ 0 0 26 -4,-2.1 5,-2.2 2,-0.2 4,-0.3 0.887 109.5 46.9 -58.0 -40.7 11.3 19.7 10.4 83 83 A M H ><5S+ 0 0 0 -4,-1.8 3,-1.6 1,-0.2 14,-0.3 0.973 115.1 44.3 -65.5 -53.8 12.2 16.6 12.4 84 84 A F H 3<5S+ 0 0 12 -4,-2.5 -2,-0.2 1,-0.3 -1,-0.2 0.800 110.4 57.2 -60.6 -30.9 13.3 14.6 9.4 85 85 A N T 3<5S- 0 0 77 -4,-2.7 26,-0.3 -5,-0.2 -1,-0.3 0.430 116.4-109.6 -83.1 1.4 15.3 17.6 8.1 86 86 A G T < 5 + 0 0 7 -3,-1.6 -3,-0.2 -4,-0.3 27,-0.2 0.612 62.0 155.3 84.1 10.8 17.4 17.9 11.2 87 87 A E < - 0 0 99 -5,-2.2 2,-1.8 -6,-0.2 10,-0.6 -0.343 56.5-105.6 -68.6 155.6 15.9 21.1 12.5 88 88 A K + 0 0 84 1,-0.2 8,-0.2 8,-0.2 7,-0.1 -0.448 56.3 155.2 -84.6 68.3 16.2 21.7 16.3 89 89 A I + 0 0 21 -2,-1.8 2,-2.4 -7,-0.2 -1,-0.2 0.664 51.9 90.7 -69.3 -17.4 12.5 21.0 17.1 90 90 A N B >> +F 95 0B 6 5,-2.1 5,-1.8 -3,-0.2 4,-1.0 -0.582 64.3 177.9 -77.2 79.7 13.6 20.1 20.7 91 91 A S T 45 + 0 0 41 -2,-2.4 -1,-0.2 1,-0.2 3,-0.1 0.818 65.3 51.2 -60.8 -43.6 13.1 23.7 21.6 92 92 A T T 45S+ 0 0 5 1,-0.2 -1,-0.2 -3,-0.2 -2,-0.1 0.830 123.6 30.5 -68.6 -31.4 13.8 23.8 25.3 93 93 A E T 45S- 0 0 39 -3,-0.4 -1,-0.2 2,-0.1 -2,-0.2 0.432 104.5-129.8-103.7 -1.2 17.2 22.0 24.9 94 94 A D T <5 + 0 0 87 -4,-1.0 2,-0.3 1,-0.2 -3,-0.2 0.958 60.8 132.9 49.6 61.3 17.8 23.5 21.4 95 95 A R B < -F 90 0B 93 -5,-1.8 -5,-2.1 -7,-0.1 -1,-0.2 -0.943 58.6-110.1-137.8 157.7 18.6 20.1 19.8 96 96 A A - 0 0 4 -2,-0.3 2,-0.4 -8,-0.2 -8,-0.2 -0.350 23.7-137.4 -78.4 167.7 17.6 18.2 16.7 97 97 A V + 0 0 7 -10,-0.6 -11,-0.2 -14,-0.3 3,-0.2 -0.884 38.8 153.9-130.3 95.9 15.5 15.0 17.1 98 98 A L >> + 0 0 0 170,-2.2 4,-1.0 -2,-0.4 3,-1.0 -0.244 21.5 128.2-127.3 50.9 16.9 12.4 14.8 99 99 A H H 3> S+ 0 0 3 1,-0.2 4,-0.8 2,-0.2 3,-0.2 0.815 80.3 65.9 -69.5 -22.8 16.2 8.8 15.8 100 100 A V H 34 S+ 0 0 4 1,-0.2 -1,-0.2 -3,-0.2 3,-0.2 0.762 95.3 56.4 -66.9 -22.8 15.0 8.5 12.2 101 101 A A H X4 S+ 0 0 0 -3,-1.0 3,-2.0 1,-0.2 -1,-0.2 0.873 95.4 65.2 -74.6 -37.0 18.6 9.2 11.1 102 102 A L H 3< S+ 0 0 5 -4,-1.0 -1,-0.2 1,-0.3 -2,-0.2 0.807 114.1 31.3 -54.2 -32.8 19.8 6.2 13.1 103 103 A R T 3< S+ 0 0 0 -4,-0.8 2,-2.3 -3,-0.2 -1,-0.3 0.093 80.1 133.8-114.6 21.6 17.8 3.9 10.8 104 104 A N X + 0 0 12 -3,-2.0 3,-1.7 1,-0.2 193,-0.1 -0.481 22.8 170.0 -74.6 79.1 18.1 5.9 7.6 105 105 A R T 3 S+ 0 0 77 -2,-2.3 -1,-0.2 1,-0.3 192,-0.1 0.743 73.1 64.3 -63.4 -24.4 19.0 3.0 5.4 106 106 A S T 3 S- 0 0 70 -3,-0.2 -1,-0.3 2,-0.1 -2,-0.1 0.665 96.2-145.4 -72.9 -15.5 18.6 5.2 2.3 107 107 A N < + 0 0 76 -3,-1.7 -2,-0.1 1,-0.2 3,-0.1 0.692 33.6 169.0 56.5 21.9 21.5 7.2 3.7 108 108 A T - 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0 0 8 -4,-2.1 4,-1.6 -5,-0.4 -1,-0.2 0.031 32.1 -83.8 90.1 158.7 23.2 -10.8 15.0 289 289 A F H > S+ 0 0 13 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.816 123.2 60.2 -72.5 -30.1 23.8 -7.8 12.9 290 290 A D H > S+ 0 0 116 1,-0.2 4,-1.3 2,-0.2 -1,-0.2 0.940 109.9 43.2 -62.1 -44.0 21.7 -8.9 9.9 291 291 A N H > S+ 0 0 43 -4,-0.5 4,-1.9 2,-0.2 -1,-0.2 0.859 112.5 53.7 -68.3 -35.1 18.7 -9.1 12.2 292 292 A F H X S+ 0 0 0 -4,-1.6 4,-2.1 1,-0.2 -2,-0.2 0.901 108.2 49.2 -65.5 -40.8 19.6 -5.8 13.8 293 293 A E H X S+ 0 0 44 -4,-2.7 4,-2.3 1,-0.2 -1,-0.2 0.800 108.3 54.7 -68.8 -26.4 19.7 -4.2 10.4 294 294 A Q H X S+ 0 0 78 -4,-1.3 4,-2.1 2,-0.2 -1,-0.2 0.888 105.9 52.2 -71.0 -38.5 16.3 -5.8 9.6 295 295 A L H X S+ 0 0 0 -4,-1.9 4,-1.8 1,-0.2 -2,-0.2 0.939 112.3 45.3 -60.5 -47.5 15.0 -4.1 12.8 296 296 A L H X S+ 0 0 0 -4,-2.1 4,-2.5 1,-0.2 -2,-0.2 0.894 110.9 53.4 -63.7 -41.4 16.3 -0.8 11.6 297 297 A S H X S+ 0 0 33 -4,-2.3 4,-2.6 1,-0.2 -1,-0.2 0.849 105.6 54.2 -63.4 -35.9 15.0 -1.3 8.1 298 298 A G H X S+ 0 0 0 -4,-2.1 4,-2.0 2,-0.2 -1,-0.2 0.935 110.5 45.4 -63.7 -46.0 11.5 -2.0 9.5 299 299 A A H X S+ 0 0 0 -4,-1.8 4,-2.2 1,-0.2 -2,-0.2 0.903 112.1 52.9 -62.8 -40.7 11.6 1.3 11.4 300 300 A H H X S+ 0 0 19 -4,-2.5 4,-2.2 2,-0.2 -2,-0.2 0.908 106.4 53.0 -61.3 -42.7 12.9 3.0 8.2 301 301 A W H X S+ 0 0 59 -4,-2.6 4,-2.0 1,-0.2 -1,-0.2 0.926 111.5 45.2 -58.4 -46.2 10.0 1.6 6.2 302 302 A M H X S+ 0 0 0 -4,-2.0 4,-2.7 1,-0.2 -1,-0.2 0.838 108.1 58.0 -67.7 -33.0 7.5 3.0 8.7 303 303 A D H X S+ 0 0 1 -4,-2.2 4,-2.1 1,-0.2 -1,-0.2 0.913 108.7 46.0 -61.8 -42.5 9.4 6.3 8.7 304 304 A Q H X S+ 0 0 72 -4,-2.2 4,-2.6 2,-0.2 5,-0.3 0.887 110.3 53.3 -67.2 -40.0 8.8 6.5 4.9 305 305 A H H X S+ 0 0 14 -4,-2.0 4,-1.9 1,-0.2 -2,-0.2 0.949 111.2 46.8 -58.2 -49.0 5.2 5.5 5.3 306 306 A F H < S+ 0 0 0 -4,-2.7 -2,-0.2 1,-0.2 -1,-0.2 0.885 116.3 44.4 -60.3 -41.4 4.7 8.3 7.8 307 307 A R H < S+ 0 0 71 -4,-2.1 -2,-0.2 -5,-0.2 -1,-0.2 0.848 122.5 31.1 -76.9 -33.8 6.5 10.9 5.6 308 308 A T H < S+ 0 0 104 -4,-2.6 -2,-0.2 -5,-0.1 -3,-0.2 0.584 93.9 95.7-103.7 -11.5 4.9 10.1 2.2 309 309 A T S < S- 0 0 27 -4,-1.9 5,-0.1 -5,-0.3 -4,-0.0 -0.651 79.6-109.0 -87.9 134.1 1.4 8.9 2.9 310 310 A P > - 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s 0 967H 56 -431,-0.2 2,-1.7 -71,-0.2 -1,-0.2 -0.974 63.2-110.5-160.9 146.2 12.2 -6.0 56.0 1038 481 B L + 0 0 3 -71,-0.6 -69,-0.0 -2,-0.3 -2,-0.0 -0.597 57.4 154.3 -84.3 84.9 10.4 -7.8 53.3 1039 482 B T > - 0 0 16 -2,-1.7 4,-2.9 1,-0.1 5,-0.2 -0.530 61.3 -98.2-102.0 171.5 10.1 -11.2 54.9 1040 483 B P H > S+ 0 0 4 0, 0.0 4,-2.4 0, 0.0 5,-0.2 0.931 125.3 48.8 -58.2 -42.6 7.4 -13.9 54.2 1041 484 B F H > S+ 0 0 11 2,-0.2 4,-2.2 1,-0.2 5,-0.1 0.947 113.3 45.0 -61.5 -50.3 5.4 -12.7 57.2 1042 485 B I H > S+ 0 0 0 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.898 111.6 53.3 -63.3 -39.3 5.6 -9.0 56.3 1043 486 B L H X S+ 0 0 0 -4,-2.9 4,-2.6 1,-0.2 5,-0.2 0.948 108.7 50.1 -60.3 -46.6 4.7 -9.8 52.7 1044 487 B G H X S+ 0 0 0 -4,-2.4 4,-2.4 -5,-0.2 -1,-0.2 0.909 110.5 49.9 -57.7 -42.4 1.7 -11.7 53.8 1045 488 B A H X S+ 0 0 0 -4,-2.2 4,-2.1 1,-0.2 -1,-0.2 0.913 111.3 49.2 -62.1 -43.3 0.6 -8.8 56.0 1046 489 B L H X S+ 0 0 0 -4,-2.6 4,-1.7 2,-0.2 -2,-0.2 0.896 111.6 47.5 -64.8 -43.0 1.0 -6.4 53.0 1047 490 B I H X S+ 0 0 0 -4,-2.6 4,-2.2 1,-0.2 -2,-0.2 0.946 113.5 48.1 -64.8 -45.9 -1.0 -8.5 50.6 1048 491 B A H X S+ 0 0 0 -4,-2.4 4,-2.2 -5,-0.2 -1,-0.2 0.864 106.1 59.6 -61.4 -36.3 -3.8 -9.0 53.2 1049 492 B M H X S+ 0 0 2 -4,-2.1 4,-1.3 1,-0.2 -1,-0.2 0.922 109.6 41.1 -59.4 -45.3 -3.7 -5.2 53.8 1050 493 B Y H X S+ 0 0 9 -4,-1.7 4,-2.6 2,-0.2 -1,-0.2 0.847 108.5 60.3 -72.8 -33.2 -4.6 -4.4 50.2 1051 494 B E H X S+ 0 0 2 -4,-2.2 4,-1.9 1,-0.2 -2,-0.2 0.929 110.1 43.5 -58.5 -41.6 -7.1 -7.3 50.0 1052 495 B H H X S+ 0 0 0 -4,-2.2 4,-2.6 2,-0.2 -1,-0.2 0.799 107.3 58.0 -75.8 -26.9 -9.0 -5.6 52.8 1053 496 B K H X S+ 0 0 6 -4,-1.3 4,-2.1 2,-0.2 -1,-0.2 0.955 109.3 47.4 -62.2 -47.3 -8.6 -2.1 51.2 1054 497 B I H X S+ 0 0 2 -4,-2.6 4,-2.1 1,-0.2 -2,-0.2 0.905 110.4 52.4 -58.4 -44.6 -10.3 -3.6 48.2 1055 498 B F H X S+ 0 0 8 -4,-1.9 4,-2.0 1,-0.2 -1,-0.2 0.942 108.6 49.2 -58.2 -51.0 -13.1 -5.1 50.4 1056 499 B V H X S+ 0 0 0 -4,-2.6 4,-2.4 1,-0.2 -1,-0.2 0.896 109.8 50.6 -59.0 -43.1 -13.8 -1.8 52.1 1057 500 B Q H X S+ 0 0 1 -4,-2.1 4,-2.4 1,-0.2 -1,-0.2 0.920 108.6 52.9 -62.8 -41.0 -14.1 0.1 48.9 1058 501 B G H X>S+ 0 0 0 -4,-2.1 5,-2.1 1,-0.2 4,-0.9 0.894 108.8 49.9 -60.5 -40.0 -16.5 -2.5 47.5 1059 502 B V H ><5S+ 0 0 22 -4,-2.0 3,-0.9 2,-0.2 -1,-0.2 0.955 109.8 50.2 -63.9 -48.0 -18.7 -2.2 50.6 1060 503 B V H 3<5S+ 0 0 0 -4,-2.4 -2,-0.2 1,-0.3 -1,-0.2 0.897 115.2 43.2 -56.6 -42.0 -18.8 1.6 50.2 1061 504 B W H 3<5S- 0 0 0 -4,-2.4 -1,-0.3 -5,-0.2 -501,-0.3 0.576 107.9-129.9 -79.7 -10.2 -19.8 1.3 46.6 1062 505 B D T <<5 + 0 0 35 -3,-0.9 -140,-2.8 -4,-0.9 -139,-0.3 0.821 62.3 133.0 62.8 35.2 -22.3 -1.4 47.4 1063 506 B I B < -B 921 0N 4 -5,-2.1 2,-0.9 -142,-0.3 -1,-0.2 -0.633 66.6-104.7-107.8 169.9 -20.9 -3.7 44.7 1064 507 B N > - 0 0 3 -144,-0.5 3,-0.9 -2,-0.2 -144,-0.1 -0.835 29.9-173.4 -98.6 102.2 -19.9 -7.4 44.9 1065 508 B S T 3 S+ 0 0 4 -2,-0.9 -1,-0.1 1,-0.2 -148,-0.1 0.475 75.8 60.9 -72.0 1.0 -16.1 -7.5 45.0 1066 509 B F T 3 S+ 0 0 19 -420,-0.1 -1,-0.2 -150,-0.1 2,-0.2 0.375 87.3 70.4-119.4 8.8 -16.1 -11.3 44.8 1067 510 B D < - 0 0 2 -3,-0.9 3,-0.0 -152,-0.3 -419,-0.0 -0.612 53.5-162.2-110.4 178.2 -17.8 -12.3 41.5 1068 511 B Q > + 0 0 46 -2,-0.2 3,-1.4 1,-0.0 4,-0.2 -0.238 25.6 154.5-160.2 60.4 -16.5 -11.8 37.9 1069 512 B W G > + 0 0 35 1,-0.3 3,-1.2 2,-0.1 4,-0.4 0.664 60.4 86.5 -66.3 -15.7 -19.3 -12.1 35.4 1070 513 B G G 3 S+ 0 0 2 1,-0.2 4,-0.5 -156,-0.1 -1,-0.3 0.661 79.1 65.6 -60.6 -15.2 -17.3 -10.0 33.0 1071 514 B V G <> S+ 0 0 54 -3,-1.4 4,-1.6 1,-0.1 -1,-0.2 0.807 83.5 73.6 -77.4 -32.2 -15.5 -13.1 31.7 1072 515 B E H <> S+ 0 0 66 -3,-1.2 4,-2.4 -4,-0.2 5,-0.2 0.868 89.9 51.5 -52.3 -53.8 -18.5 -14.9 30.1 1073 516 B L H > S+ 0 0 4 -4,-0.4 4,-2.1 1,-0.2 -1,-0.2 0.910 111.2 47.0 -55.3 -48.3 -19.2 -12.9 27.0 1074 517 B G H > S+ 0 0 0 -4,-0.5 4,-1.7 1,-0.2 -1,-0.2 0.894 112.9 49.8 -62.5 -40.2 -15.6 -13.0 25.7 1075 518 B K H X S+ 0 0 101 -4,-1.6 4,-1.7 1,-0.2 -1,-0.2 0.893 110.3 49.5 -66.1 -40.9 -15.3 -16.8 26.4 1076 519 B Q H X S+ 0 0 65 -4,-2.4 4,-1.0 1,-0.2 -1,-0.2 0.881 111.6 48.4 -67.9 -36.9 -18.6 -17.6 24.6 1077 520 B L H X S+ 0 0 2 -4,-2.1 4,-1.4 -5,-0.2 -1,-0.2 0.848 109.0 54.2 -72.3 -31.6 -17.6 -15.6 21.5 1078 521 B A H X S+ 0 0 2 -4,-1.7 4,-2.2 1,-0.2 -2,-0.2 0.891 103.9 54.1 -68.8 -39.4 -14.2 -17.2 21.3 1079 522 B K H < S+ 0 0 118 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.813 108.5 50.8 -65.1 -28.4 -15.6 -20.7 21.3 1080 523 B K H < S+ 0 0 109 -4,-1.0 4,-0.4 1,-0.2 -1,-0.2 0.831 111.8 46.7 -78.3 -30.5 -17.7 -19.8 18.3 1081 524 B I H >X S+ 0 0 0 -4,-1.4 4,-0.9 1,-0.1 3,-0.8 0.850 93.9 76.7 -79.3 -35.4 -14.8 -18.4 16.4 1082 525 B E G >< S+ 0 0 13 -4,-2.2 3,-1.4 1,-0.3 4,-0.5 0.883 98.5 41.7 -43.2 -58.2 -12.3 -21.2 16.9 1083 526 B P G >4 S+ 0 0 76 0, 0.0 3,-0.8 0, 0.0 -1,-0.3 0.786 107.7 63.3 -64.7 -24.9 -13.9 -23.7 14.4 1084 527 B E G <4 S+ 0 0 51 -3,-0.8 -2,-0.2 -4,-0.4 -3,-0.1 0.680 91.5 65.8 -72.4 -17.0 -14.4 -20.9 11.9 1085 528 B L G << S+ 0 0 3 -3,-1.4 -1,-0.2 -4,-0.9 -3,-0.1 0.764 82.0 94.9 -75.2 -25.0 -10.6 -20.4 11.7 1086 529 B D S < S+ 0 0 90 -3,-0.8 3,-0.1 -4,-0.5 20,-0.0 -0.394 80.4 17.8 -66.9 141.8 -10.2 -23.8 10.1 1087 530 B G S S- 0 0 47 1,-0.1 0, 0.0 -2,-0.1 0, 0.0 0.032 85.4 -96.0 83.1 165.8 -10.1 -23.8 6.3 1088 531 B S S S+ 0 0 105 2,-0.1 -1,-0.1 19,-0.0 -2,-0.1 0.448 80.6 117.1-100.8 -2.4 -9.4 -21.0 3.9 1089 532 B S S S- 0 0 79 -3,-0.1 17,-0.0 1,-0.1 0, 0.0 -0.446 72.1-106.0 -68.5 137.6 -13.1 -20.1 3.1 1090 533 B P - 0 0 95 0, 0.0 2,-0.4 0, 0.0 -1,-0.1 -0.226 26.7-130.5 -63.7 151.2 -14.0 -16.6 4.1 1091 534 B V + 0 0 13 8,-0.3 12,-0.2 1,-0.1 11,-0.1 -0.863 32.7 162.5-106.0 138.3 -16.2 -15.9 7.2 1092 535 B T + 0 0 116 -2,-0.4 -1,-0.1 8,-0.0 7,-0.1 0.228 49.1 98.6-136.7 10.6 -19.2 -13.6 6.9 1093 536 B S S S+ 0 0 78 6,-0.1 2,-0.1 5,-0.1 3,-0.1 0.521 79.1 53.1 -81.1 -7.1 -21.2 -14.5 10.1 1094 537 B H S S- 0 0 35 1,-0.2 2,-0.1 2,-0.1 -661,-0.0 -0.375 103.7 -60.9-113.7-166.9 -19.9 -11.6 12.3 1095 538 B D > - 0 0 26 -2,-0.1 4,-2.6 1,-0.1 -1,-0.2 -0.376 61.9-101.3 -69.8 159.6 -19.7 -7.8 12.1 1096 539 B S H > S+ 0 0 24 1,-0.2 4,-2.7 2,-0.2 5,-0.1 0.783 121.0 53.5 -57.4 -30.6 -17.6 -6.7 9.2 1097 540 B S H > S+ 0 0 0 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.970 111.2 43.1 -68.8 -54.8 -14.6 -5.9 11.4 1098 541 B T H > S+ 0 0 0 1,-0.2 4,-2.2 2,-0.2 -2,-0.2 0.921 117.2 49.8 -56.0 -43.9 -14.5 -9.4 13.0 1099 542 B N H X S+ 0 0 20 -4,-2.6 4,-2.4 1,-0.2 -8,-0.3 0.948 111.4 47.6 -58.8 -51.5 -15.1 -10.8 9.5 1100 543 B G H X S+ 0 0 10 -4,-2.7 4,-1.7 1,-0.2 -1,-0.2 0.854 110.7 50.7 -59.8 -39.6 -12.3 -8.8 8.0 1101 544 B L H X S+ 0 0 0 -4,-2.6 4,-2.1 2,-0.2 -1,-0.2 0.921 111.0 48.8 -65.9 -44.3 -9.8 -9.7 10.7 1102 545 B I H X S+ 0 0 0 -4,-2.2 4,-2.4 -5,-0.2 -2,-0.2 0.916 111.5 49.1 -62.1 -43.2 -10.5 -13.4 10.3 1103 546 B N H X S+ 0 0 49 -4,-2.4 4,-2.2 2,-0.2 -1,-0.2 0.835 108.7 52.5 -68.3 -30.7 -10.1 -13.3 6.6 1104 547 B F H X S+ 0 0 15 -4,-1.7 4,-3.0 2,-0.2 -1,-0.2 0.920 109.9 50.3 -67.9 -43.1 -6.8 -11.4 6.8 1105 548 B I H X S+ 0 0 0 -4,-2.1 4,-1.4 1,-0.2 -2,-0.2 0.925 110.4 48.8 -59.9 -45.8 -5.6 -14.1 9.2 1106 549 B K H < S+ 0 0 14 -4,-2.4 4,-0.4 2,-0.2 -1,-0.2 0.903 114.1 46.5 -62.1 -40.9 -6.7 -16.9 6.7 1107 550 B Q H >< S+ 0 0 126 -4,-2.2 3,-0.6 1,-0.2 -2,-0.2 0.937 117.4 41.4 -66.3 -47.7 -5.0 -15.1 3.8 1108 551 B Q H >< S+ 0 0 9 -4,-3.0 3,-1.6 1,-0.2 -1,-0.2 0.583 89.0 94.6 -78.2 -10.3 -1.7 -14.4 5.7 1109 552 B R T 3< S+ 0 0 72 -4,-1.4 -1,-0.2 1,-0.3 -2,-0.1 0.861 100.7 23.2 -48.6 -45.4 -1.7 -17.9 7.4 1110 553 B E T < S+ 0 0 150 -3,-0.6 2,-0.4 -4,-0.4 -1,-0.3 0.032 85.9 133.6-114.7 26.8 0.6 -19.3 4.7 1111 554 B A < - 0 0 27 -3,-1.6 2,-0.7 -632,-0.1 -3,-0.0 -0.652 55.5-132.0 -75.3 128.2 2.2 -16.2 3.4 1112 555 B K 0 0 193 -2,-0.4 -1064,-0.1 1,-0.2 -2,-0.1 -0.767 360.0 360.0 -92.4 114.5 5.9 -17.0 3.2 1113 556 B I 0 0 103 -2,-0.7 -1,-0.2 -1066,-0.1 -1065,-0.1 0.829 360.0 360.0-105.0 360.0 8.2 -14.4 4.7