==== 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 29-NOV-06 2O2C . COMPND 2 MOLECULE: GLUCOSE-6-PHOSPHATE ISOMERASE, GLYCOSOMAL; . SOURCE 2 ORGANISM_SCIENTIFIC: TRYPANOSOMA BRUCEI BRUCEI; . AUTHOR D.ARSENIEVA,G.H.MAZOCK,B.L.APPAVU,C.J.JEFFERY . 1689 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 62972.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1250 74.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 124 7.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 72 4.3 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 3 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 6 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 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 . 142 8.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 182 10.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 657 38.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 34 2.0 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 9 0 4 11 0 7 8 0 0 12 3 0 0 0 3 1 8 0 3 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 0 6 3 9 0 3 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 . 14 3 0 2 4 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 . 3 2 0 3 3 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 43 A G 0 0 134 0, 0.0 379,-0.1 0, 0.0 2,-0.0 0.000 360.0 360.0 360.0-133.1 15.1 -20.5 10.3 2 44 A A - 0 0 57 1,-0.2 378,-0.1 377,-0.1 377,-0.1 -0.172 360.0 -68.3 -86.3-179.0 14.2 -19.3 13.8 3 45 A D - 0 0 126 1,-0.1 378,-2.0 376,-0.1 2,-0.3 -0.286 56.1-100.5 -70.1 153.9 11.5 -16.9 15.1 4 46 A A B -a 381 0A 58 376,-0.2 2,-0.3 1,-0.1 378,-0.2 -0.583 35.1-112.4 -80.8 139.2 11.8 -13.1 14.4 5 47 A D + 0 0 11 376,-2.9 4,-0.2 -2,-0.3 -1,-0.1 -0.541 35.6 171.3 -72.7 129.8 13.1 -10.8 17.1 6 48 A T > + 0 0 87 -2,-0.3 4,-1.8 2,-0.1 -1,-0.1 0.524 55.8 91.4-113.8 -12.1 10.5 -8.4 18.5 7 49 A T T 4 S+ 0 0 77 1,-0.2 509,-0.1 2,-0.2 -1,-0.1 0.786 94.6 36.5 -56.5 -35.9 12.4 -6.9 21.4 8 50 A L T >4 S+ 0 0 3 2,-0.1 3,-1.4 507,-0.1 6,-0.3 0.923 118.1 45.9 -83.9 -54.4 13.9 -3.9 19.4 9 51 A T T 34 S+ 0 0 52 1,-0.2 -2,-0.2 -4,-0.2 -1,-0.1 0.664 109.9 58.1 -63.3 -19.4 10.9 -3.0 17.1 10 52 A S T 3< S+ 0 0 90 -4,-1.8 -1,-0.2 4,-0.1 2,-0.2 0.385 79.7 114.2 -89.2 -4.4 8.5 -3.2 20.1 11 53 A C S <> S- 0 0 13 -3,-1.4 4,-1.7 1,-0.1 3,-0.3 -0.494 70.2-136.2 -69.4 136.6 10.5 -0.6 22.0 12 54 A A H > S+ 0 0 74 1,-0.2 4,-1.9 2,-0.2 -1,-0.1 0.864 106.7 55.2 -61.2 -34.5 8.4 2.6 22.5 13 55 A S H > S+ 0 0 1 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.804 105.3 51.1 -69.4 -31.5 11.5 4.6 21.6 14 56 A W H > S+ 0 0 18 -3,-0.3 4,-1.8 -6,-0.3 -1,-0.2 0.896 109.7 49.7 -72.0 -42.0 11.9 2.7 18.2 15 57 A T H X S+ 0 0 87 -4,-1.7 4,-1.7 1,-0.2 -2,-0.2 0.880 111.9 49.5 -63.4 -38.7 8.2 3.4 17.4 16 58 A Q H X S+ 0 0 58 -4,-1.9 4,-2.6 2,-0.2 -2,-0.2 0.880 108.2 52.4 -69.7 -38.7 8.8 7.1 18.2 17 59 A L H X S+ 0 0 0 -4,-1.8 4,-1.6 2,-0.2 -2,-0.2 0.863 108.3 51.0 -66.3 -33.5 12.0 7.3 16.0 18 60 A Q H X S+ 0 0 69 -4,-1.8 4,-1.7 2,-0.2 -1,-0.2 0.898 111.4 48.4 -68.7 -38.0 10.0 5.8 13.1 19 61 A K H X S+ 0 0 103 -4,-1.7 4,-1.6 1,-0.2 -2,-0.2 0.901 111.3 49.8 -67.8 -42.4 7.4 8.5 13.7 20 62 A L H X S+ 0 0 5 -4,-2.6 4,-2.8 1,-0.2 5,-0.3 0.780 108.0 54.2 -68.8 -28.4 10.1 11.2 13.8 21 63 A Y H X S+ 0 0 69 -4,-1.6 4,-2.1 2,-0.2 5,-0.2 0.902 107.7 49.1 -70.0 -44.8 11.6 10.0 10.6 22 64 A E H < S+ 0 0 140 -4,-1.7 -2,-0.2 2,-0.2 4,-0.2 0.860 119.1 41.3 -62.1 -34.3 8.3 10.3 8.7 23 65 A Q H < S+ 0 0 91 -4,-1.6 -2,-0.2 -5,-0.1 -1,-0.2 0.926 132.1 15.6 -79.9 -50.8 8.0 13.8 10.1 24 66 A Y H >< S+ 0 0 46 -4,-2.8 3,-1.3 1,-0.1 -3,-0.2 0.460 94.9 95.6-110.1 -2.5 11.5 15.3 9.8 25 67 A G T 3< S+ 0 0 8 -4,-2.1 -3,-0.1 -5,-0.3 -1,-0.1 0.781 86.9 50.2 -60.0 -31.0 13.4 13.0 7.5 26 68 A D T 3 S+ 0 0 161 -5,-0.2 -1,-0.3 -4,-0.2 -2,-0.1 0.491 84.1 106.9 -86.4 -7.0 12.7 15.2 4.4 27 69 A E S < S- 0 0 46 -3,-1.3 5,-0.1 38,-0.1 -3,-0.0 -0.613 77.0-118.1 -75.1 125.0 13.8 18.4 6.1 28 70 A P >> - 0 0 67 0, 0.0 3,-1.1 0, 0.0 4,-0.7 -0.291 15.7-119.2 -64.2 151.0 17.2 19.4 4.6 29 71 A I H >> S+ 0 0 0 1,-0.2 3,-1.0 417,-0.2 4,-0.8 0.872 112.0 62.3 -57.1 -37.8 20.3 19.6 7.0 30 72 A K H 3> S+ 0 0 63 416,-0.4 4,-1.7 1,-0.2 3,-0.3 0.771 92.2 66.0 -60.7 -26.8 20.7 23.4 6.2 31 73 A K H <> S+ 0 0 73 -3,-1.1 4,-1.7 1,-0.2 -1,-0.2 0.873 97.8 53.3 -63.4 -37.2 17.2 24.1 7.7 32 74 A H H < - 0 0 30 -4,-0.9 3,-1.4 -5,-0.2 -1,-0.2 -0.892 60.2-173.9-134.3 102.9 19.5 27.2 15.4 37 79 A S T 3 S+ 0 0 117 -2,-0.4 3,-0.2 1,-0.3 -1,-0.1 0.623 88.7 50.4 -70.3 -15.4 22.4 29.7 15.2 38 80 A E T >> S+ 0 0 116 1,-0.1 4,-2.4 2,-0.1 3,-0.6 0.147 73.7 116.9-108.6 18.3 24.4 27.7 17.8 39 81 A R H <> + 0 0 5 -3,-1.4 4,-2.4 1,-0.2 -1,-0.1 0.854 69.0 59.0 -55.2 -42.0 24.0 24.3 16.2 40 82 A G H 34 S+ 0 0 32 1,-0.2 -1,-0.2 -3,-0.2 22,-0.2 0.886 114.1 36.9 -55.9 -41.2 27.8 23.8 15.6 41 83 A Q H X4 S+ 0 0 162 -3,-0.6 3,-0.9 1,-0.2 -1,-0.2 0.866 116.9 50.6 -80.0 -39.4 28.5 24.1 19.3 42 84 A R H 3< S+ 0 0 96 -4,-2.4 -2,-0.2 1,-0.3 -1,-0.2 0.766 112.6 47.6 -70.7 -28.2 25.4 22.3 20.6 43 85 A Y T 3< S+ 0 0 0 -4,-2.4 18,-1.9 -5,-0.2 19,-0.5 -0.252 104.0 74.2-109.5 44.5 26.0 19.3 18.3 44 86 A S E < -C 60 0B 16 -3,-0.9 2,-0.4 16,-0.2 16,-0.2 -0.987 55.7-162.1-154.2 148.1 29.7 18.9 19.0 45 87 A V E -C 59 0B 8 14,-2.2 14,-2.6 -2,-0.3 2,-0.5 -0.999 6.8-154.1-137.0 134.9 31.8 17.5 21.9 46 88 A K E -C 58 0B 115 -2,-0.4 2,-0.5 12,-0.2 12,-0.2 -0.940 10.1-166.4-110.9 123.0 35.6 18.0 22.7 47 89 A V E -C 57 0B 13 10,-2.7 10,-2.3 -2,-0.5 2,-0.1 -0.958 16.0-137.2-112.9 117.8 37.3 15.2 24.7 48 90 A S E -C 56 0B 70 -2,-0.5 8,-0.3 8,-0.2 7,-0.1 -0.443 1.1-148.1 -71.3 141.3 40.7 16.1 26.2 49 91 A L - 0 0 0 6,-2.5 7,-0.1 -2,-0.1 -1,-0.1 0.491 34.8-123.0 -89.0 -3.6 43.3 13.4 25.9 50 92 A G + 0 0 60 5,-0.4 2,-0.2 1,-0.2 6,-0.1 0.599 65.6 131.3 74.2 13.7 45.0 14.4 29.1 51 93 A S > - 0 0 22 4,-0.3 3,-1.7 1,-0.1 -1,-0.2 -0.635 69.4-114.5 -97.8 159.3 48.5 15.0 27.6 52 94 A K T 3 S+ 0 0 206 1,-0.3 -1,-0.1 -2,-0.2 -2,-0.0 0.740 113.1 64.7 -62.2 -25.9 50.8 18.0 28.1 53 95 A D T 3 S- 0 0 63 1,-0.1 -1,-0.3 2,-0.0 -3,-0.0 0.445 110.1-122.8 -78.0 -0.2 50.5 19.0 24.4 54 96 A E < + 0 0 144 -3,-1.7 -2,-0.1 1,-0.2 -1,-0.1 0.786 48.4 173.9 59.7 36.6 46.8 19.6 25.1 55 97 A N + 0 0 0 -4,-0.1 -6,-2.5 -7,-0.1 -5,-0.4 -0.278 3.3 176.4 -70.3 154.4 45.7 17.1 22.4 56 98 A F E -C 48 0B 28 -8,-0.3 434,-0.7 -7,-0.1 2,-0.5 -0.946 34.2-125.2-151.0 172.8 42.0 16.3 22.0 57 99 A L E -CD 47 489B 0 -10,-2.3 -10,-2.7 -2,-0.3 2,-0.5 -0.994 30.0-168.8-127.9 111.7 39.4 14.4 20.0 58 100 A F E -CD 46 488B 52 430,-2.7 430,-2.7 -2,-0.5 2,-0.5 -0.949 3.3-164.7-109.3 120.6 36.6 16.7 18.7 59 101 A L E -CD 45 487B 0 -14,-2.6 -14,-2.2 -2,-0.5 2,-0.6 -0.918 5.3-173.7-107.8 124.7 33.5 15.2 17.2 60 102 A D E +CD 44 486B 26 426,-2.8 426,-2.6 -2,-0.5 -16,-0.2 -0.967 14.2 163.7-116.5 108.4 31.2 17.5 15.2 61 103 A Y E + 0 0 3 -18,-1.9 -17,-0.2 -2,-0.6 -1,-0.1 0.090 42.5 109.8-111.2 21.2 28.0 15.6 14.3 62 104 A S E + 0 0 1 -19,-0.5 2,-2.1 1,-0.2 4,-0.2 0.726 55.1 79.7 -69.5 -27.9 26.0 18.7 13.3 63 105 A K E S+ D 0 484B 34 421,-0.5 421,-2.3 -3,-0.2 2,-0.3 -0.511 80.5 100.6 -83.9 71.2 25.9 18.0 9.6 64 106 A S S S- 0 0 0 -2,-2.1 2,-1.7 419,-0.2 -32,-0.1 -0.964 87.7-103.7-150.1 161.6 23.0 15.5 10.0 65 107 A H S S+ 0 0 14 -2,-0.3 2,-0.4 416,-0.1 -38,-0.1 -0.417 81.1 120.3 -86.5 57.0 19.2 15.2 9.6 66 108 A I + 0 0 2 -2,-1.7 -2,-0.2 -4,-0.2 2,-0.2 -0.977 37.6 179.2-131.6 118.3 18.9 15.4 13.4 67 109 A N > - 0 0 19 -2,-0.4 4,-2.5 1,-0.0 3,-0.3 -0.484 51.6 -86.9-102.5-179.9 16.9 18.1 15.4 68 110 A D H > S+ 0 0 72 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.850 127.3 54.0 -58.1 -35.1 16.6 18.2 19.2 69 111 A E H > S+ 0 0 97 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.879 112.0 43.7 -66.8 -40.1 13.5 15.9 19.2 70 112 A I H > S+ 0 0 0 -3,-0.3 4,-2.3 2,-0.2 5,-0.2 0.915 112.6 52.1 -72.0 -42.9 15.4 13.2 17.2 71 113 A K H X S+ 0 0 30 -4,-2.5 4,-1.9 1,-0.2 -2,-0.2 0.929 112.1 46.9 -59.2 -43.7 18.6 13.6 19.4 72 114 A C H X S+ 0 0 66 -4,-2.4 4,-1.9 1,-0.2 -1,-0.2 0.906 112.3 49.7 -64.9 -42.4 16.4 13.2 22.5 73 115 A A H X S+ 0 0 0 -4,-1.9 4,-1.3 2,-0.2 -1,-0.2 0.816 109.1 51.4 -67.7 -33.2 14.7 10.1 21.0 74 116 A L H X S+ 0 0 5 -4,-2.3 4,-1.6 2,-0.2 -1,-0.2 0.889 110.4 49.4 -70.1 -39.0 18.0 8.5 20.0 75 117 A L H X S+ 0 0 26 -4,-1.9 4,-1.6 1,-0.2 -2,-0.2 0.849 108.5 53.2 -68.3 -33.3 19.2 9.0 23.6 76 118 A R H X S+ 0 0 95 -4,-1.9 4,-2.5 2,-0.2 -1,-0.2 0.816 104.9 55.5 -71.2 -29.6 16.0 7.4 25.0 77 119 A L H X S+ 0 0 0 -4,-1.3 4,-2.2 2,-0.2 -2,-0.2 0.905 105.8 51.8 -67.0 -40.4 16.6 4.4 22.7 78 120 A A H <>S+ 0 0 7 -4,-1.6 5,-2.3 2,-0.2 6,-0.3 0.885 111.8 46.4 -63.3 -38.2 20.0 4.0 24.3 79 121 A E H ><5S+ 0 0 119 -4,-1.6 3,-1.1 3,-0.2 -2,-0.2 0.925 112.6 49.4 -70.2 -44.5 18.4 4.1 27.8 80 122 A E H 3<5S+ 0 0 92 -4,-2.5 -2,-0.2 1,-0.3 -1,-0.2 0.816 110.5 49.4 -64.2 -36.1 15.6 1.6 26.9 81 123 A R T 3<5S- 0 0 53 -4,-2.2 -1,-0.3 -5,-0.1 -2,-0.2 0.403 113.8-119.6 -84.7 0.4 18.0 -0.9 25.4 82 124 A G T <>5 + 0 0 18 -3,-1.1 4,-2.0 -4,-0.2 -3,-0.2 0.859 53.7 158.9 63.5 44.7 20.2 -0.7 28.5 83 125 A I H > S+ 0 0 151 -6,-0.3 4,-1.7 1,-0.2 -1,-0.2 0.918 112.8 42.0 -56.7 -45.8 24.8 1.9 30.3 85 127 A Q H > S+ 0 0 101 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.833 112.9 53.5 -71.6 -34.5 24.4 -1.4 32.0 86 128 A F H X S+ 0 0 34 -4,-2.0 4,-2.0 2,-0.2 -2,-0.2 0.875 107.9 50.8 -68.0 -40.1 25.7 -3.4 29.0 87 129 A V H X S+ 0 0 5 -4,-2.5 4,-2.6 2,-0.2 -2,-0.2 0.900 109.8 49.8 -63.9 -42.7 28.9 -1.2 29.0 88 130 A Q H X S+ 0 0 48 -4,-1.7 4,-1.9 1,-0.2 -2,-0.2 0.913 109.7 52.3 -63.9 -37.4 29.4 -1.9 32.7 89 131 A S H <>S+ 0 0 43 -4,-2.0 5,-2.4 2,-0.2 4,-0.4 0.890 110.9 46.8 -65.0 -39.9 29.0 -5.6 32.0 90 132 A V H ><5S+ 0 0 0 -4,-2.0 3,-1.2 1,-0.2 14,-0.4 0.961 114.4 46.4 -66.3 -51.2 31.6 -5.5 29.2 91 133 A F H 3<5S+ 0 0 10 -4,-2.6 -2,-0.2 1,-0.3 -1,-0.2 0.740 110.7 52.4 -63.7 -29.4 34.2 -3.5 31.3 92 134 A R T 3<5S- 0 0 119 -4,-1.9 26,-0.4 -5,-0.2 -1,-0.3 0.425 119.9-103.5 -89.5 -2.9 33.7 -5.7 34.4 93 135 A G T < 5 + 0 0 10 -3,-1.2 -3,-0.2 -4,-0.4 -2,-0.1 0.597 60.6 160.4 94.1 12.2 34.4 -9.0 32.6 94 136 A E < - 0 0 42 -5,-2.4 2,-2.1 -6,-0.2 10,-0.5 -0.331 54.5-104.4 -65.0 150.0 30.9 -10.4 32.2 95 137 A R + 0 0 52 1,-0.2 -1,-0.1 8,-0.2 6,-0.1 -0.509 59.3 153.3 -79.1 74.0 30.5 -13.1 29.5 96 138 A V + 0 0 11 -2,-2.1 2,-2.0 1,-0.2 -1,-0.2 0.667 55.4 82.5 -75.7 -23.3 28.7 -10.8 27.0 97 139 A N B >>> +H 102 0C 6 5,-1.7 5,-1.9 -3,-0.2 3,-0.9 -0.624 65.9 174.1 -83.4 78.2 30.0 -12.9 24.0 98 140 A T T 345 + 0 0 66 -2,-2.0 -1,-0.2 1,-0.2 -2,-0.1 0.746 64.8 59.4 -62.0 -33.9 27.1 -15.3 24.7 99 141 A T T 345S+ 0 0 59 1,-0.2 -1,-0.2 -3,-0.2 -2,-0.1 0.721 121.8 27.1 -72.7 -19.7 27.6 -17.6 21.7 100 142 A E T <45S- 0 0 47 -3,-0.9 -2,-0.2 2,-0.1 -1,-0.2 0.329 103.4-129.1-119.3 -0.8 31.1 -18.5 22.9 101 143 A N T <5 + 0 0 66 -4,-0.7 -3,-0.2 1,-0.2 -5,-0.1 0.906 62.9 132.6 48.4 52.7 30.5 -17.8 26.6 102 144 A R B < -H 97 0C 63 -5,-1.9 -5,-1.7 -8,-0.1 -1,-0.2 -0.933 58.4-111.0-133.4 150.6 33.5 -15.6 26.9 103 145 A P - 0 0 4 0, 0.0 2,-0.5 0, 0.0 -8,-0.2 -0.278 21.3-137.7 -72.9 168.4 34.4 -12.1 28.3 104 146 A V + 0 0 6 -10,-0.5 -11,-0.2 -14,-0.4 3,-0.2 -0.874 38.6 155.0-130.0 93.2 35.2 -9.2 26.0 105 147 A L >> + 0 0 0 175,-1.8 3,-1.1 -2,-0.5 4,-0.6 -0.215 20.5 128.7-123.5 49.0 38.1 -7.5 27.6 106 148 A H H >> S+ 0 0 2 1,-0.2 3,-0.7 2,-0.2 4,-0.5 0.800 77.0 66.4 -68.8 -21.3 40.2 -5.5 25.1 107 149 A I H 34 S+ 0 0 3 1,-0.2 3,-0.4 -3,-0.2 -1,-0.2 0.733 91.5 62.2 -68.8 -23.5 39.8 -2.6 27.5 108 150 A A H X4 S+ 0 0 0 -3,-1.1 3,-1.2 1,-0.2 -1,-0.2 0.819 92.0 65.0 -71.4 -29.2 41.9 -4.6 30.1 109 151 A L H << S+ 0 0 4 -3,-0.7 -1,-0.2 -4,-0.6 -2,-0.2 0.778 113.3 32.0 -64.8 -26.9 44.9 -4.5 27.7 110 152 A R T 3< S+ 0 0 0 -4,-0.5 2,-1.9 -3,-0.4 -1,-0.3 0.091 79.6 133.6-117.9 18.7 45.1 -0.7 28.0 111 153 A N X + 0 0 3 -3,-1.2 3,-1.2 1,-0.2 198,-0.1 -0.512 23.9 171.8 -75.4 83.1 43.9 -0.4 31.6 112 154 A R T 3 S+ 0 0 76 -2,-1.9 -1,-0.2 1,-0.3 197,-0.1 0.713 72.1 64.2 -66.3 -22.8 46.6 2.0 32.8 113 155 A S T 3 S- 0 0 68 -3,-0.1 -1,-0.3 2,-0.1 -2,-0.1 0.682 98.3-138.8 -73.5 -19.3 44.8 2.6 36.2 114 156 A N < + 0 0 76 -3,-1.2 -2,-0.1 1,-0.2 11,-0.1 0.717 36.9 171.4 61.6 27.9 45.4 -1.1 37.0 115 157 A R - 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0 0 5 -4,-2.4 4,-1.9 -5,-0.3 5,-0.2 0.103 30.5 -76.5 90.6 156.3 33.6 -20.9 43.7 866 343 B Y H > S+ 0 0 39 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.875 125.4 53.9 -53.0 -51.9 32.0 -21.9 40.4 867 344 B E H > S+ 0 0 118 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.893 112.5 44.2 -54.3 -43.4 34.8 -24.3 39.3 868 345 B N H > S+ 0 0 45 -4,-0.4 4,-1.9 2,-0.2 -1,-0.2 0.813 110.9 54.0 -73.6 -30.7 34.6 -26.2 42.5 869 346 B F H X S+ 0 0 0 -4,-1.9 4,-2.3 2,-0.2 -2,-0.2 0.868 107.2 51.7 -70.3 -36.0 30.8 -26.3 42.4 870 347 B V H X S+ 0 0 24 -4,-2.3 4,-2.7 2,-0.2 -2,-0.2 0.888 108.0 52.2 -66.2 -36.7 31.0 -27.8 38.9 871 348 B E H X S+ 0 0 59 -4,-1.6 4,-2.1 2,-0.2 -2,-0.2 0.905 108.2 51.3 -65.0 -39.0 33.4 -30.4 40.4 872 349 B L H X S+ 0 0 0 -4,-1.9 4,-1.4 2,-0.2 -2,-0.2 0.931 112.7 45.1 -62.5 -45.4 30.7 -31.2 43.0 873 350 B L H X S+ 0 0 0 -4,-2.3 4,-2.3 1,-0.2 -2,-0.2 0.890 111.2 53.9 -65.2 -39.8 28.0 -31.6 40.3 874 351 B T H X S+ 0 0 22 -4,-2.7 4,-2.4 1,-0.2 -1,-0.2 0.855 103.6 55.4 -65.1 -36.6 30.4 -33.7 38.2 875 352 B G H X S+ 0 0 0 -4,-2.1 4,-1.5 2,-0.2 -1,-0.2 0.899 110.3 46.0 -63.4 -39.3 31.0 -36.1 41.1 876 353 B A H X S+ 0 0 0 -4,-1.4 4,-2.2 2,-0.2 -2,-0.2 0.923 111.0 52.9 -68.3 -40.7 27.3 -36.7 41.4 877 354 B H H X S+ 0 0 22 -4,-2.3 4,-2.4 1,-0.2 -2,-0.2 0.876 105.3 54.1 -62.3 -42.2 27.0 -37.1 37.6 878 355 B V H X S+ 0 0 33 -4,-2.4 4,-2.0 1,-0.2 -1,-0.2 0.903 112.5 43.9 -61.0 -39.9 29.7 -39.8 37.5 879 356 B I H X S+ 0 0 1 -4,-1.5 4,-3.0 2,-0.2 -2,-0.2 0.837 109.5 56.4 -75.8 -29.5 27.8 -41.8 40.2 880 357 B D H X S+ 0 0 2 -4,-2.2 4,-2.1 2,-0.2 -2,-0.2 0.925 111.5 44.0 -64.9 -42.6 24.4 -41.2 38.4 881 358 B E H X S+ 0 0 56 -4,-2.4 4,-1.7 2,-0.2 5,-0.3 0.883 113.8 50.0 -68.9 -39.6 26.0 -42.7 35.3 882 359 B H H X S+ 0 0 28 -4,-2.0 4,-2.6 -5,-0.2 -2,-0.2 0.935 112.1 48.7 -63.4 -47.1 27.5 -45.6 37.3 883 360 B F H < S+ 0 0 9 -4,-3.0 -2,-0.2 1,-0.2 -1,-0.2 0.879 115.2 42.9 -61.5 -43.2 24.2 -46.3 39.0 884 361 B A H < S+ 0 0 22 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.755 128.5 25.1 -76.6 -25.5 22.1 -46.3 35.8 885 362 B N H < S+ 0 0 114 -4,-1.7 -2,-0.2 -5,-0.1 -3,-0.2 0.633 89.9 103.4-117.7 -18.5 24.6 -48.4 33.7 886 363 B A S < S- 0 0 23 -4,-2.6 5,-0.1 -5,-0.3 -4,-0.0 -0.431 79.2-100.9 -71.3 143.0 26.8 -50.6 35.9 887 364 B P > - 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