==== 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 ISOMERASE 13-JUL-04 1U0G . COMPND 2 MOLECULE: GLUCOSE-6-PHOSPHATE ISOMERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: MUS MUSCULUS; . AUTHOR J.T.G.SOLOMONS,E.M.ZIMMERLY,S.BURNS,N.KRISHNAMURTHY,M.K.SWAN . 1112 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 37241.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 815 73.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 78 7.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 44 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 . 71 6.4 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 . 439 39.5 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 2 8 2 5 2 0 0 9 2 0 0 0 2 2 3 0 2 1 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 4 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 . 8 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 23 0, 0.0 4,-1.2 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 142.0 11.1 -22.9 -8.4 2 2 A A H > + 0 0 19 1,-0.2 4,-0.6 2,-0.2 503,-0.1 0.835 360.0 54.7 -58.6 -39.7 13.4 -22.1 -11.4 3 3 A L H >4 S+ 0 0 0 501,-0.3 3,-1.3 1,-0.2 6,-0.3 0.946 108.9 44.1 -63.4 -51.6 16.6 -21.8 -9.4 4 4 A T H 34 S+ 0 0 30 1,-0.3 -1,-0.2 500,-0.1 -2,-0.2 0.714 111.2 55.7 -71.3 -19.4 16.6 -25.2 -7.8 5 5 A R H 3< S+ 0 0 180 -4,-1.2 -1,-0.3 -3,-0.1 -2,-0.2 0.584 85.5 107.4 -81.9 -13.7 15.6 -26.9 -11.0 6 6 A N S+ 0 0 78 0, 0.0 4,-2.0 0, 0.0 -1,-0.1 0.784 99.4 54.0 -64.0 -31.9 21.5 -27.8 -13.6 8 8 A Q H > S+ 0 0 63 2,-0.2 4,-1.8 1,-0.2 62,-0.2 0.836 110.6 47.5 -70.9 -34.0 24.2 -25.2 -13.1 9 9 A F H > S+ 0 0 7 -6,-0.3 4,-2.6 -3,-0.2 5,-0.2 0.924 110.7 50.5 -68.8 -46.7 22.7 -24.5 -9.6 10 10 A Q H X S+ 0 0 100 -4,-2.4 4,-2.3 1,-0.2 -2,-0.2 0.889 110.6 50.7 -57.4 -40.6 22.6 -28.2 -8.8 11 11 A K H X S+ 0 0 130 -4,-2.0 4,-2.2 2,-0.2 -1,-0.2 0.910 110.9 48.4 -63.5 -44.4 26.2 -28.5 -9.9 12 12 A L H X S+ 0 0 0 -4,-1.8 4,-2.3 2,-0.2 -2,-0.2 0.897 112.0 48.3 -61.9 -44.8 27.2 -25.6 -7.7 13 13 A L H X S+ 0 0 32 -4,-2.6 4,-2.6 2,-0.2 -2,-0.2 0.899 112.1 49.4 -64.4 -42.9 25.4 -26.9 -4.6 14 14 A E H X S+ 0 0 113 -4,-2.3 4,-1.8 -5,-0.2 -2,-0.2 0.878 110.4 50.5 -65.0 -38.8 26.9 -30.4 -5.1 15 15 A W H X S+ 0 0 36 -4,-2.2 4,-2.3 2,-0.2 5,-0.4 0.919 111.2 49.1 -63.1 -44.8 30.4 -28.9 -5.4 16 16 A H H X S+ 0 0 18 -4,-2.3 4,-2.8 1,-0.2 5,-0.4 0.949 109.8 51.2 -58.8 -51.8 29.9 -26.9 -2.2 17 17 A R H < S+ 0 0 174 -4,-2.6 -1,-0.2 1,-0.2 4,-0.2 0.870 119.2 36.4 -53.8 -41.1 28.7 -29.9 -0.3 18 18 A A H < S+ 0 0 65 -4,-1.8 -1,-0.2 -5,-0.2 -2,-0.2 0.784 133.6 19.4 -83.8 -28.0 31.7 -32.0 -1.4 19 19 A N H >< S+ 0 0 61 -4,-2.3 3,-1.8 -5,-0.2 4,-0.3 0.589 92.5 89.3-123.1 -20.1 34.4 -29.3 -1.3 20 20 A S G >< S+ 0 0 21 -4,-2.8 3,-1.9 -5,-0.4 -3,-0.1 0.849 82.6 63.0 -60.6 -37.4 33.5 -26.2 0.8 21 21 A A G 3 S+ 0 0 79 -5,-0.4 -1,-0.3 1,-0.3 -2,-0.1 0.630 100.4 56.4 -59.9 -16.2 34.9 -27.6 4.1 22 22 A N G < S+ 0 0 121 -3,-1.8 2,-0.6 2,-0.0 -1,-0.3 0.490 81.5 102.4 -94.8 -7.7 38.4 -27.6 2.4 23 23 A L < + 0 0 12 -3,-1.9 2,-0.4 -4,-0.3 35,-0.1 -0.703 44.0 170.0 -81.8 119.0 38.3 -23.9 1.5 24 24 A K > - 0 0 94 -2,-0.6 4,-2.3 1,-0.1 3,-0.3 -0.979 29.4-147.6-133.1 117.2 40.5 -21.9 4.0 25 25 A L H > S+ 0 0 0 -2,-0.4 4,-2.1 1,-0.2 5,-0.2 0.873 98.5 54.2 -52.7 -43.9 41.2 -18.3 3.2 26 26 A R H > S+ 0 0 66 410,-0.4 4,-2.2 1,-0.2 -1,-0.2 0.920 112.5 43.7 -57.1 -46.0 44.6 -18.4 4.8 27 27 A E H > S+ 0 0 122 -3,-0.3 4,-2.2 2,-0.2 -1,-0.2 0.830 108.0 58.3 -71.1 -35.2 45.7 -21.4 2.7 28 28 A L H X S+ 0 0 31 -4,-2.3 4,-0.9 2,-0.2 -1,-0.2 0.899 110.5 44.0 -60.5 -41.8 44.2 -19.9 -0.5 29 29 A F H >< S+ 0 0 17 -4,-2.1 3,-0.6 -5,-0.2 6,-0.2 0.928 112.6 51.4 -70.7 -43.1 46.5 -16.9 -0.1 30 30 A E H 3< S+ 0 0 157 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.871 112.7 46.9 -57.2 -38.3 49.5 -19.0 0.8 31 31 A A H 3< S+ 0 0 85 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.655 115.3 44.5 -80.7 -17.5 49.0 -21.2 -2.3 32 32 A D X< - 0 0 48 -4,-0.9 3,-1.7 -3,-0.6 -1,-0.2 -0.842 52.2-176.9-139.2 95.5 48.5 -18.4 -4.8 33 33 A P T 3 S+ 0 0 104 0, 0.0 3,-0.3 0, 0.0 4,-0.2 0.727 90.9 55.9 -59.6 -23.8 50.7 -15.2 -4.8 34 34 A E T 3> S+ 0 0 99 1,-0.2 4,-2.4 2,-0.1 5,-0.2 0.192 73.4 112.9 -93.1 14.4 48.5 -13.8 -7.6 35 35 A R H <> S+ 0 0 4 -3,-1.7 4,-1.2 1,-0.2 -1,-0.2 0.914 77.7 44.3 -58.4 -50.1 45.3 -14.1 -5.6 36 36 A F H >4 S+ 0 0 24 -3,-0.3 3,-0.6 1,-0.2 -1,-0.2 0.932 113.8 51.7 -57.1 -48.4 44.6 -10.4 -5.3 37 37 A N H >4 S+ 0 0 93 1,-0.2 3,-0.5 -4,-0.2 -2,-0.2 0.872 115.8 40.3 -57.9 -40.1 45.4 -9.8 -9.0 38 38 A N H 3< S+ 0 0 104 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.567 117.4 46.9 -89.1 -9.7 43.1 -12.5 -10.2 39 39 A F T << S+ 0 0 16 -4,-1.2 15,-1.5 -3,-0.6 2,-0.3 -0.193 100.0 74.2-128.0 41.4 40.2 -11.8 -7.8 40 40 A S E < -A 53 0A 23 -3,-0.5 2,-0.4 13,-0.2 13,-0.2 -0.976 59.6-145.3-146.2 158.4 39.8 -8.0 -8.0 41 41 A L E -A 52 0A 16 11,-2.0 11,-3.3 -2,-0.3 2,-0.8 -0.989 5.6-162.3-128.4 120.7 38.4 -5.4 -10.4 42 42 A N E -A 51 0A 84 -2,-0.4 2,-0.6 9,-0.2 9,-0.2 -0.889 16.6-163.3-102.5 102.3 40.1 -2.0 -10.7 43 43 A L E -A 50 0A 17 7,-3.0 7,-2.5 -2,-0.8 2,-0.7 -0.782 8.8-158.8 -93.8 122.4 37.5 0.2 -12.4 44 44 A N E +A 49 0A 77 -2,-0.6 5,-0.2 5,-0.2 -2,-0.0 -0.879 14.0 175.4 -98.6 109.1 38.6 3.5 -14.0 45 45 A T - 0 0 2 3,-2.3 4,-0.1 -2,-0.7 -1,-0.1 0.507 48.0-119.7 -85.9 -6.0 35.6 5.8 -14.3 46 46 A N S S+ 0 0 126 2,-0.3 3,-0.1 1,-0.0 -2,-0.1 0.374 111.5 65.1 70.8 -0.4 37.8 8.7 -15.5 47 47 A H S S- 0 0 112 1,-0.7 2,-0.2 251,-0.0 438,-0.2 -0.142 125.2 -37.7-133.8 36.0 36.6 10.6 -12.5 48 48 A G - 0 0 5 431,-0.1 -3,-2.3 1064,-0.1 -1,-0.7 -0.412 68.5 -94.0 123.9 158.6 38.2 8.3 -9.9 49 49 A H E -A 44 0A 38 -5,-0.2 430,-1.8 -2,-0.2 2,-0.5 -0.794 21.3-158.2-104.0 150.3 38.9 4.6 -9.5 50 50 A I E -AB 43 478A 0 -7,-2.5 -7,-3.0 -2,-0.3 2,-0.6 -0.974 9.1-160.8-125.4 115.0 36.8 2.0 -7.8 51 51 A L E -AB 42 477A 2 426,-3.4 426,-2.2 -2,-0.5 2,-0.8 -0.868 2.2-165.1 -96.1 121.1 38.6 -1.2 -6.7 52 52 A V E -AB 41 476A 1 -11,-3.3 -11,-2.0 -2,-0.6 2,-0.9 -0.878 8.9-172.3-105.4 97.4 36.4 -4.1 -6.0 53 53 A D E +AB 40 475A 2 422,-2.8 422,-2.3 -2,-0.8 3,-0.3 -0.813 19.3 160.2 -96.3 104.2 38.6 -6.6 -4.1 54 54 A Y > + 0 0 16 -15,-1.5 3,-0.7 -2,-0.9 -14,-0.2 0.122 41.6 108.8-108.3 21.0 36.7 -9.8 -3.7 55 55 A S T 3 + 0 0 0 -16,-0.3 4,-0.2 1,-0.3 -1,-0.2 0.727 63.7 70.3 -73.2 -21.8 39.8 -11.9 -3.1 56 56 A K T 3 S+ 0 0 2 417,-0.5 417,-1.5 -3,-0.3 2,-0.3 -0.022 82.4 109.2 -86.2 34.9 39.1 -12.5 0.6 57 57 A N S < S- 0 0 1 -3,-0.7 2,-2.4 415,-0.2 414,-0.0 -0.760 84.4-107.2-112.3 156.6 36.2 -14.7 -0.3 58 58 A L S S+ 0 0 4 -2,-0.3 2,-0.3 264,-0.1 -35,-0.1 -0.435 84.5 102.9 -81.5 66.0 35.7 -18.5 0.0 59 59 A V - 0 0 0 -2,-2.4 2,-0.2 -4,-0.2 -2,-0.1 -0.944 45.1-173.1-142.9 158.8 36.1 -19.0 -3.7 60 60 A N > - 0 0 32 -2,-0.3 4,-2.3 -37,-0.0 5,-0.2 -0.744 52.0 -73.2-136.7-169.6 38.6 -20.2 -6.3 61 61 A K H > S+ 0 0 149 -2,-0.2 4,-2.1 1,-0.2 5,-0.1 0.913 129.1 46.2 -55.0 -50.2 38.7 -20.4 -10.1 62 62 A E H > S+ 0 0 98 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.863 110.6 52.8 -66.0 -37.5 36.2 -23.2 -10.5 63 63 A V H > S+ 0 0 0 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.945 111.1 46.0 -62.2 -48.7 33.7 -21.7 -8.1 64 64 A M H X S+ 0 0 17 -4,-2.3 4,-2.7 2,-0.2 5,-0.2 0.898 112.2 52.1 -61.1 -41.0 33.7 -18.3 -9.9 65 65 A Q H X S+ 0 0 103 -4,-2.1 4,-2.6 -5,-0.2 -1,-0.2 0.932 111.1 46.7 -57.9 -48.6 33.4 -20.2 -13.2 66 66 A M H X S+ 0 0 18 -4,-2.5 4,-2.0 2,-0.2 -2,-0.2 0.869 112.7 50.7 -62.9 -38.8 30.4 -22.2 -11.9 67 67 A L H X S+ 0 0 0 -4,-2.4 4,-2.1 2,-0.2 -2,-0.2 0.915 110.9 47.3 -65.8 -44.8 28.8 -19.0 -10.6 68 68 A V H X S+ 0 0 14 -4,-2.7 4,-2.1 1,-0.2 -2,-0.2 0.914 110.8 52.6 -63.8 -41.2 29.2 -17.1 -13.9 69 69 A E H X S+ 0 0 109 -4,-2.6 4,-2.8 1,-0.2 -1,-0.2 0.902 107.4 52.6 -60.5 -40.4 27.8 -20.1 -15.7 70 70 A L H X S+ 0 0 0 -4,-2.0 4,-2.2 2,-0.2 -2,-0.2 0.922 106.5 52.1 -60.2 -48.3 24.8 -20.0 -13.4 71 71 A A H <>S+ 0 0 0 -4,-2.1 5,-2.1 2,-0.2 6,-0.2 0.900 112.2 46.7 -53.9 -43.8 24.2 -16.3 -14.2 72 72 A K H ><5S+ 0 0 103 -4,-2.1 3,-1.7 1,-0.2 -2,-0.2 0.951 112.1 50.2 -61.0 -49.3 24.2 -17.2 -17.9 73 73 A S H 3<5S+ 0 0 53 -4,-2.8 -2,-0.2 1,-0.3 -1,-0.2 0.780 108.3 53.3 -62.4 -29.9 21.9 -20.1 -17.4 74 74 A R T 3<5S- 0 0 36 -4,-2.2 -1,-0.3 -5,-0.2 -2,-0.2 0.421 114.6-117.1 -88.1 1.5 19.5 -18.0 -15.5 75 75 A G T <>5 + 0 0 29 -3,-1.7 4,-2.1 -4,-0.2 -3,-0.2 0.844 57.6 154.8 71.0 37.3 19.3 -15.4 -18.2 76 76 A V H > S+ 0 0 70 -6,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.912 111.3 45.3 -60.6 -47.3 22.0 -10.7 -19.5 78 78 A A H > S+ 0 0 60 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.902 114.0 49.7 -61.6 -43.8 18.6 -10.9 -21.4 79 79 A A H X S+ 0 0 17 -4,-2.1 4,-2.3 2,-0.2 -2,-0.2 0.910 110.7 50.2 -63.2 -43.5 16.8 -9.7 -18.3 80 80 A R H X S+ 0 0 12 -4,-2.8 4,-2.3 2,-0.2 -2,-0.2 0.947 110.0 49.8 -57.0 -51.6 19.2 -6.8 -17.8 81 81 A D H X S+ 0 0 77 -4,-2.4 4,-1.4 1,-0.2 -1,-0.2 0.887 109.2 53.1 -56.4 -40.3 18.7 -5.8 -21.5 82 82 A N H <>S+ 0 0 74 -4,-2.2 5,-2.1 2,-0.2 4,-0.4 0.910 107.8 50.1 -63.6 -44.0 15.0 -5.9 -21.0 83 83 A M H ><5S+ 0 0 0 -4,-2.3 3,-1.5 1,-0.2 14,-0.3 0.963 111.5 48.4 -54.4 -53.6 15.1 -3.6 -18.0 84 84 A F H 3<5S+ 0 0 27 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.733 108.7 53.9 -62.3 -26.4 17.2 -1.1 -19.9 85 85 A S T 3<5S- 0 0 65 -4,-1.4 26,-0.5 -3,-0.2 -1,-0.3 0.412 119.3-102.7 -93.8 1.1 15.0 -1.1 -23.0 86 86 A G T < 5 + 0 0 7 -3,-1.5 27,-0.3 -4,-0.4 -3,-0.2 0.618 61.8 161.4 88.6 15.1 11.8 -0.3 -21.1 87 87 A S < - 0 0 40 -5,-2.1 2,-2.3 -6,-0.2 10,-0.5 -0.370 53.0-109.6 -62.8 145.7 10.2 -3.8 -21.0 88 88 A K + 0 0 73 1,-0.2 8,-0.3 8,-0.2 7,-0.2 -0.397 57.0 156.1 -79.5 65.9 7.5 -4.2 -18.4 89 89 A I + 0 0 33 -2,-2.3 2,-1.5 1,-0.2 -1,-0.2 0.574 53.6 83.3 -75.5 -12.5 9.7 -6.5 -16.2 90 90 A N B >> +F 95 0B 6 5,-2.2 5,-2.2 -3,-0.2 4,-0.8 -0.749 65.0 174.4 -84.5 85.4 7.7 -5.6 -13.1 91 91 A Y T 45 + 0 0 64 -2,-1.5 -1,-0.2 1,-0.2 -2,-0.1 0.718 64.3 58.1 -78.4 -23.0 5.1 -8.2 -14.1 92 92 A T T 45S+ 0 0 13 1,-0.2 -1,-0.2 -3,-0.1 -2,-0.1 0.834 121.7 27.9 -75.6 -30.5 2.8 -8.1 -11.0 93 93 A E T 45S- 0 0 40 -3,-0.3 -2,-0.2 2,-0.1 -1,-0.2 0.439 106.1-126.3-104.2 -2.4 2.1 -4.4 -11.5 94 94 A D T <5 + 0 0 102 -4,-0.8 2,-0.3 1,-0.2 -3,-0.2 0.947 62.5 136.2 51.3 58.0 2.7 -4.5 -15.3 95 95 A R B < -F 90 0B 69 -5,-2.2 -5,-2.2 -7,-0.2 -1,-0.2 -0.928 57.0-116.6-129.7 152.8 5.2 -1.7 -15.2 96 96 A A - 0 0 3 -2,-0.3 2,-0.4 -8,-0.3 -8,-0.2 -0.290 24.5-134.4 -72.5 170.5 8.6 -0.9 -16.7 97 97 A V + 0 0 5 -10,-0.5 3,-0.2 -14,-0.3 -11,-0.2 -0.883 39.8 156.4-132.7 96.5 11.6 -0.5 -14.3 98 98 A L >> + 0 0 0 170,-2.6 4,-1.0 -2,-0.4 3,-0.9 -0.130 23.8 125.9-131.8 41.4 13.4 2.6 -15.4 99 99 A H H 3> S+ 0 0 3 1,-0.2 4,-0.8 169,-0.2 3,-0.4 0.837 81.1 64.5 -60.7 -27.3 15.5 4.2 -12.7 100 100 A V H 34 S+ 0 0 5 -3,-0.2 3,-0.3 1,-0.2 -1,-0.2 0.799 96.0 56.9 -65.9 -25.7 18.3 3.9 -15.4 101 101 A A H X4 S+ 0 0 0 -3,-0.9 3,-1.6 1,-0.2 -1,-0.2 0.847 95.6 64.8 -70.5 -34.7 16.3 6.3 -17.6 102 102 A L H 3< S+ 0 0 4 -4,-1.0 -1,-0.2 -3,-0.4 -2,-0.2 0.831 113.6 31.3 -57.4 -35.4 16.4 8.9 -14.8 103 103 A R T 3< S+ 0 0 0 -4,-0.8 2,-2.1 -3,-0.3 -1,-0.3 0.062 79.7 136.3-111.9 22.2 20.2 9.2 -15.1 104 104 A N X + 0 0 10 -3,-1.6 3,-1.7 1,-0.2 193,-0.1 -0.468 22.6 172.0 -75.9 79.7 20.5 8.4 -18.8 105 105 A R T 3 S+ 0 0 77 -2,-2.1 -1,-0.2 1,-0.3 192,-0.1 0.698 72.2 64.0 -65.0 -21.7 23.0 11.2 -19.6 106 106 A S T 3 S- 0 0 60 -3,-0.1 -1,-0.3 2,-0.1 -2,-0.1 0.681 94.8-144.4 -74.0 -21.0 23.5 9.9 -23.1 107 107 A N < + 0 0 81 -3,-1.7 -2,-0.1 1,-0.2 3,-0.1 0.619 38.0 160.8 60.5 19.0 19.8 10.7 -23.9 108 108 A T - 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s 0 967H 47 -71,-0.2 2,-1.8 -431,-0.2 -1,-0.2 -0.965 63.1-106.0-164.3 146.2 5.4 6.8 28.9 1038 481 B L + 0 0 4 -71,-0.6 -69,-0.0 -2,-0.3 -2,-0.0 -0.589 59.0 156.0 -84.2 80.0 9.1 6.9 28.0 1039 482 B T > - 0 0 16 -2,-1.8 4,-3.0 1,-0.1 5,-0.2 -0.518 61.1 -99.6 -90.4 166.7 10.2 8.8 31.1 1040 483 B P H > S+ 0 0 1 0, 0.0 4,-2.6 0, 0.0 5,-0.2 0.928 125.8 50.0 -52.3 -45.2 13.8 8.6 32.4 1041 484 B F H > S+ 0 0 17 2,-0.2 4,-2.2 1,-0.2 5,-0.2 0.948 112.7 44.4 -59.0 -52.9 12.7 6.0 35.0 1042 485 B I H > S+ 0 0 0 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.905 112.4 52.2 -63.5 -41.3 10.9 3.8 32.4 1043 486 B L H X S+ 0 0 0 -4,-3.0 4,-2.5 1,-0.2 -1,-0.2 0.937 108.7 51.7 -57.2 -47.0 13.8 4.0 30.0 1044 487 B G H X S+ 0 0 0 -4,-2.6 4,-2.2 -5,-0.2 -2,-0.2 0.901 109.9 48.9 -55.2 -44.4 16.1 2.9 32.8 1045 488 B A H X S+ 0 0 0 -4,-2.2 4,-2.1 1,-0.2 -1,-0.2 0.911 110.9 50.6 -62.9 -42.7 13.9 -0.1 33.5 1046 489 B L H X S+ 0 0 0 -4,-2.5 4,-1.7 2,-0.2 -2,-0.2 0.896 110.8 47.6 -63.6 -43.9 13.8 -1.0 29.8 1047 490 B I H X S+ 0 0 0 -4,-2.5 4,-2.3 1,-0.2 -1,-0.2 0.937 112.7 48.8 -62.5 -47.8 17.6 -0.9 29.4 1048 491 B A H X S+ 0 0 0 -4,-2.2 4,-2.6 1,-0.2 -2,-0.2 0.859 106.2 59.0 -60.0 -37.5 18.2 -2.9 32.5 1049 492 B M H X S+ 0 0 0 -4,-2.1 4,-1.9 1,-0.2 -1,-0.2 0.914 109.7 41.5 -57.9 -46.8 15.6 -5.5 31.3 1050 493 B Y H X S+ 0 0 4 -4,-1.7 4,-2.5 2,-0.2 -1,-0.2 0.862 109.9 58.7 -71.6 -34.8 17.5 -6.2 28.2 1051 494 B E H X S+ 0 0 2 -4,-2.3 4,-2.0 1,-0.2 -2,-0.2 0.948 110.9 42.9 -55.3 -46.7 20.8 -6.1 30.1 1052 495 B H H X S+ 0 0 0 -4,-2.6 4,-2.4 2,-0.2 -2,-0.2 0.833 108.7 57.2 -74.4 -30.1 19.4 -9.0 32.2 1053 496 B K H X S+ 0 0 3 -4,-1.9 4,-2.3 2,-0.2 -1,-0.2 0.958 109.1 47.3 -56.9 -51.1 18.0 -10.8 29.2 1054 497 B I H X S+ 0 0 1 -4,-2.5 4,-2.3 1,-0.2 -2,-0.2 0.890 110.1 53.3 -57.3 -44.1 21.5 -10.8 27.8 1055 498 B F H X S+ 0 0 2 -4,-2.0 4,-2.3 2,-0.2 -1,-0.2 0.936 108.8 48.5 -55.9 -51.0 22.9 -12.1 31.1 1056 499 B V H X S+ 0 0 0 -4,-2.4 4,-2.4 1,-0.2 -2,-0.2 0.922 111.5 48.5 -60.3 -46.5 20.5 -15.0 31.3 1057 500 B Q H X S+ 0 0 0 -4,-2.3 4,-2.2 1,-0.2 -1,-0.2 0.907 110.0 53.2 -61.0 -41.3 21.2 -16.1 27.7 1058 501 B G H X>S+ 0 0 0 -4,-2.3 5,-2.2 1,-0.2 4,-0.7 0.914 109.8 47.4 -58.5 -46.6 25.0 -15.9 28.4 1059 502 B I H ><5S+ 0 0 34 -4,-2.3 3,-0.9 1,-0.2 -1,-0.2 0.908 111.0 51.4 -61.1 -44.3 24.7 -18.2 31.5 1060 503 B M H 3<5S+ 0 0 0 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.866 111.0 47.5 -64.6 -35.8 22.5 -20.7 29.5 1061 504 B W H 3<5S- 0 0 0 -4,-2.2 -501,-0.3 -5,-0.2 -1,-0.3 0.568 110.3-125.3 -78.1 -10.9 25.1 -20.8 26.7 1062 505 B D T <<5 + 0 0 22 -3,-0.9 -140,-1.9 -4,-0.7 -139,-0.2 0.756 67.3 129.1 69.8 28.4 27.9 -21.2 29.4 1063 506 B I < - 0 0 6 -5,-2.2 2,-0.8 -142,-0.2 -1,-0.2 -0.574 68.3-103.2-107.2 171.2 29.8 -18.3 27.9 1064 507 B N > - 0 0 4 -144,-0.5 3,-0.7 -2,-0.2 -144,-0.1 -0.859 28.3-174.6 -95.8 106.1 31.3 -15.1 29.4 1065 508 B S T 3 S+ 0 0 3 -2,-0.8 -1,-0.1 1,-0.2 -148,-0.1 0.552 77.7 58.2 -72.3 -5.5 29.0 -12.2 28.6 1066 509 B F T 3 S+ 0 0 16 -420,-0.2 -1,-0.2 -150,-0.1 2,-0.2 0.454 89.0 68.4-118.5 -2.0 31.4 -9.7 30.1 1067 510 B D < - 0 0 3 -3,-0.7 3,-0.0 -152,-0.2 -419,-0.0 -0.528 53.9-160.0-103.4 177.3 34.8 -10.0 28.3 1068 511 B Q > + 0 0 49 -2,-0.2 3,-1.0 1,-0.0 4,-0.1 -0.321 28.9 151.0-157.4 65.9 35.6 -9.0 24.7 1069 512 B W G > + 0 0 30 1,-0.2 3,-1.6 2,-0.1 4,-0.4 0.710 62.7 80.9 -71.1 -18.4 38.8 -10.7 23.5 1070 513 B G G 3 S+ 0 0 0 1,-0.3 4,-0.3 2,-0.1 -1,-0.2 0.517 84.0 58.6 -70.8 -7.5 37.5 -10.7 20.0 1071 514 B V G <> S+ 0 0 20 -3,-1.0 4,-1.3 2,-0.1 -1,-0.3 0.536 85.8 81.1 -94.7 -9.7 38.5 -7.0 19.4 1072 515 B E H <> S+ 0 0 61 -3,-1.6 4,-2.1 1,-0.2 3,-0.3 0.934 84.7 53.7 -67.4 -48.3 42.2 -7.6 20.1 1073 516 B L H > S+ 0 0 8 -4,-0.4 4,-2.5 1,-0.2 5,-0.2 0.883 106.9 52.0 -58.2 -44.4 43.4 -9.0 16.8 1074 517 B G H > S+ 0 0 0 -4,-0.3 4,-1.7 1,-0.2 -1,-0.2 0.892 110.5 48.8 -57.1 -42.5 42.0 -6.1 14.7 1075 518 B K H X S+ 0 0 100 -4,-1.3 4,-1.5 -3,-0.3 -1,-0.2 0.876 111.3 50.3 -66.2 -39.4 43.8 -3.6 17.0 1076 519 B Q H X S+ 0 0 67 -4,-2.1 4,-1.1 1,-0.2 -2,-0.2 0.925 111.7 46.3 -63.6 -47.9 47.1 -5.5 16.7 1077 520 B L H X S+ 0 0 6 -4,-2.5 4,-1.6 1,-0.2 -1,-0.2 0.812 109.5 55.5 -68.9 -31.1 47.1 -5.7 12.9 1078 521 B A H X S+ 0 0 3 -4,-1.7 4,-2.5 -5,-0.2 -1,-0.2 0.857 102.4 55.8 -68.9 -37.8 46.1 -2.0 12.6 1079 522 B K H < S+ 0 0 125 -4,-1.5 -1,-0.2 1,-0.2 -2,-0.2 0.847 108.9 47.8 -63.8 -33.3 49.2 -0.9 14.7 1080 523 B K H X S+ 0 0 123 -4,-1.1 4,-0.7 1,-0.2 -1,-0.2 0.876 114.6 45.7 -73.3 -37.8 51.5 -2.7 12.2 1081 524 B I H X S+ 0 0 0 -4,-1.6 4,-1.3 1,-0.2 3,-0.4 0.856 95.3 76.4 -74.9 -36.8 49.8 -1.3 9.1 1082 525 B E H >< S+ 0 0 27 -4,-2.5 3,-0.8 1,-0.3 4,-0.4 0.878 101.5 37.1 -43.3 -58.5 49.6 2.4 10.4 1083 526 B P H >4 S+ 0 0 68 0, 0.0 3,-1.1 0, 0.0 -1,-0.3 0.801 108.2 66.2 -68.9 -26.4 53.3 3.2 9.8 1084 527 B E H 3< S+ 0 0 50 -4,-0.7 -2,-0.2 -3,-0.4 -3,-0.1 0.765 91.5 63.7 -63.9 -25.4 53.4 1.1 6.6 1085 528 B L T << S+ 0 0 2 -4,-1.3 -1,-0.2 -3,-0.8 2,-0.2 0.752 84.4 93.7 -71.4 -24.0 51.0 3.6 5.0 1086 529 B E S < S+ 0 0 108 -3,-1.1 3,-0.1 -4,-0.4 20,-0.0 -0.458 81.2 13.5 -69.4 137.7 53.6 6.4 5.2 1087 530 B G S S- 0 0 47 -2,-0.2 0, 0.0 1,-0.1 0, 0.0 -0.041 88.3 -85.4 85.6 173.1 55.8 6.9 2.2 1088 531 B S S S+ 0 0 117 2,-0.1 -1,-0.1 19,-0.0 -2,-0.0 0.591 82.1 117.8 -94.6 -14.9 55.6 5.7 -1.4 1089 532 B S S S- 0 0 82 -3,-0.1 2,-0.1 1,-0.1 17,-0.0 -0.203 71.0-104.7 -64.6 144.4 57.3 2.3 -1.0 1090 533 B A - 0 0 75 1,-0.1 2,-0.5 2,-0.0 -1,-0.1 -0.357 28.1-136.6 -66.3 144.9 55.4 -0.9 -1.8 1091 534 B V + 0 0 12 8,-0.3 12,-0.2 1,-0.1 11,-0.1 -0.931 33.8 159.7-106.8 127.5 54.2 -2.9 1.2 1092 535 B T + 0 0 115 -2,-0.5 -1,-0.1 1,-0.1 7,-0.1 0.312 43.8 102.5-126.5 5.6 54.7 -6.7 0.9 1093 536 B S S S+ 0 0 77 5,-0.1 2,-0.1 6,-0.1 3,-0.1 0.529 80.0 48.1 -73.7 -8.1 54.6 -7.9 4.5 1094 537 B H S S- 0 0 31 1,-0.2 2,-0.1 2,-0.0 -661,-0.0 -0.346 102.0 -59.7-115.2-168.4 51.0 -9.2 4.3 1095 538 B D > - 0 0 23 -2,-0.1 4,-2.6 1,-0.1 -1,-0.2 -0.343 61.1-100.4 -65.5 162.8 48.7 -11.4 2.2 1096 539 B S H > S+ 0 0 25 1,-0.2 4,-2.3 2,-0.2 5,-0.1 0.764 120.3 54.4 -66.6 -27.9 48.3 -10.2 -1.4 1097 540 B S H > S+ 0 0 0 2,-0.2 4,-2.9 3,-0.2 5,-0.2 0.968 111.8 43.1 -67.1 -54.0 44.9 -8.6 -0.8 1098 541 B T H > S+ 0 0 0 1,-0.2 4,-2.1 2,-0.2 -2,-0.2 0.914 117.4 47.8 -57.0 -45.7 46.1 -6.4 2.1 1099 542 B N H X S+ 0 0 25 -4,-2.6 4,-2.1 1,-0.2 -8,-0.3 0.907 113.4 48.0 -59.1 -44.2 49.3 -5.6 0.1 1100 543 B G H X S+ 0 0 9 -4,-2.3 4,-2.0 2,-0.2 -2,-0.2 0.851 109.5 51.2 -69.9 -38.5 47.2 -4.8 -3.0 1101 544 B L H X S+ 0 0 0 -4,-2.9 4,-2.6 2,-0.2 -1,-0.2 0.919 110.0 50.6 -63.2 -43.6 44.8 -2.6 -1.2 1102 545 B I H X S+ 0 0 0 -4,-2.1 4,-2.6 -5,-0.2 -2,-0.2 0.903 109.2 52.0 -60.5 -41.8 47.7 -0.6 0.3 1103 546 B S H X S+ 0 0 57 -4,-2.1 4,-2.5 2,-0.2 -1,-0.2 0.905 109.5 48.6 -60.4 -42.9 49.2 -0.2 -3.2 1104 547 B F H X S+ 0 0 8 -4,-2.0 4,-2.4 2,-0.2 -2,-0.2 0.915 111.4 50.7 -64.4 -43.0 45.9 1.1 -4.5 1105 548 B I H X S+ 0 0 0 -4,-2.6 4,-1.5 2,-0.2 -2,-0.2 0.919 111.9 46.8 -59.2 -45.6 45.7 3.6 -1.5 1106 549 B K H < S+ 0 0 27 -4,-2.6 4,-0.3 1,-0.2 -2,-0.2 0.896 115.6 45.9 -66.4 -38.2 49.3 4.8 -2.2 1107 550 B Q H < S+ 0 0 120 -4,-2.5 3,-0.4 1,-0.2 -1,-0.2 0.862 118.3 41.6 -68.9 -37.4 48.6 5.2 -5.9 1108 551 B Q H >< S+ 0 0 6 -4,-2.4 3,-1.1 1,-0.2 -2,-0.2 0.622 90.6 83.0 -92.0 -14.0 45.3 7.0 -5.5 1109 552 B R T 3< S+ 0 0 82 -4,-1.5 -1,-0.2 1,-0.3 -2,-0.1 0.652 97.4 39.8 -73.7 -14.3 45.9 9.4 -2.6 1110 553 B D T 3 S+ 0 0 153 -3,-0.4 2,-0.3 -4,-0.3 -1,-0.3 0.324 82.7 121.8-114.4 7.2 47.5 12.1 -4.7 1111 554 B T < - 0 0 50 -3,-1.1 2,-0.6 -4,-0.1 -3,-0.0 -0.539 58.1-139.1 -64.9 125.8 45.1 11.9 -7.7 1112 555 B K 0 0 168 -2,-0.3 -1064,-0.1 1,-0.0 -2,-0.1 -0.832 360.0 360.0 -94.8 121.6 43.5 15.3 -8.2 1113 556 B L 0 0 82 -2,-0.6 -1065,-0.1 -1066,-0.1 -1,-0.0 0.023 360.0 360.0 -95.1 360.0 39.8 15.2 -9.1