==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=14-JUN-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LIGASE 01-APR-10 3MF1 . COMPND 2 MOLECULE: BLL0957 PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: BRADYRHIZOBIUM JAPONICUM; . AUTHOR I.WEYGAND-DURASEVIC,M.MOCIBOB,N.IVIC,S.BILOKAPIC,T.MAIER,M.L . 572 5 1 0 1 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 22916.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 430 75.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 12 2.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 126 22.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 3 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 1 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 . 38 6.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 61 10.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 161 28.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 11 1.9 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 4 0 8 0 0 0 0 0 4 1 0 0 2 0 0 0 0 2 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 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 0 0 PARALLEL BRIDGES PER LADDER . 2 2 5 3 1 4 0 2 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 0 1 0 0 2 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 18 A D > 0 0 69 0, 0.0 3,-1.3 0, 0.0 4,-0.4 0.000 360.0 360.0 360.0 143.2 99.4 45.7 -9.5 2 19 A P T 3 + 0 0 65 0, 0.0 3,-0.2 0, 0.0 4,-0.1 0.630 360.0 51.2 -59.8 -16.0 99.1 48.6 -6.9 3 20 A L T > S+ 0 0 0 1,-0.1 3,-2.2 2,-0.1 4,-0.4 0.698 85.1 88.3 -93.0 -19.5 101.1 46.5 -4.3 4 21 A D G X S+ 0 0 78 -3,-1.3 3,-1.3 1,-0.3 4,-0.3 0.736 74.9 67.2 -48.1 -39.3 104.0 45.7 -6.6 5 22 A H G 3 S+ 0 0 131 -4,-0.4 3,-0.4 1,-0.2 4,-0.3 0.717 96.0 58.9 -57.0 -23.4 106.0 48.9 -5.7 6 23 A L G X> S+ 0 0 4 -3,-2.2 4,-1.3 1,-0.2 3,-0.8 0.723 81.7 84.3 -79.0 -25.6 106.4 47.5 -2.2 7 24 A A H <> S+ 0 0 33 -3,-1.3 4,-3.0 -4,-0.4 -1,-0.2 0.784 81.0 61.4 -46.4 -44.2 108.2 44.3 -3.2 8 25 A D H 34 S+ 0 0 130 -3,-0.4 -1,-0.2 -4,-0.3 -2,-0.1 0.862 113.5 33.1 -53.7 -48.6 111.8 45.9 -3.4 9 26 A K H <4 S+ 0 0 115 -3,-0.8 17,-0.4 -4,-0.3 16,-0.3 0.683 128.6 37.3 -83.4 -23.9 111.9 46.9 0.3 10 27 A L H < S+ 0 0 0 -4,-1.3 13,-2.1 1,-0.1 2,-0.3 0.779 112.9 28.3-100.7 -36.6 109.9 43.9 1.7 11 28 A F E < -A 22 0A 12 -4,-3.0 2,-0.4 11,-0.2 11,-0.2 -0.899 47.0-152.3-133.0 163.3 110.7 40.7 -0.3 12 29 A H E -A 21 0A 45 9,-1.8 9,-2.5 -2,-0.3 2,-0.1 -0.965 39.5-104.9-128.5 142.2 113.3 38.8 -2.3 13 30 A S E -A 20 0A 86 -2,-0.4 7,-0.1 7,-0.2 4,-0.1 -0.363 25.1-172.7 -66.1 144.3 112.2 36.2 -4.9 14 31 A M E - 0 0 2 5,-0.7 337,-0.7 2,-0.4 340,-0.2 0.142 57.3 -97.7-122.5 14.0 112.6 32.5 -4.1 15 32 A G E S+ 0 0 45 1,-0.1 2,-0.3 335,-0.1 338,-0.1 0.701 98.6 87.0 76.0 23.5 111.7 31.4 -7.6 16 33 A S E > S-A 19 0A 8 3,-0.5 3,-1.7 335,-0.1 -2,-0.4 -0.940 82.2-109.0-155.4 130.2 108.0 30.7 -6.9 17 34 A D T 3 S+ 0 0 60 -2,-0.3 130,-0.2 1,-0.3 3,-0.1 -0.375 104.9 11.5 -60.4 127.9 105.0 32.9 -6.9 18 35 A G T 3 S+ 0 0 1 127,-0.1 135,-2.3 134,-0.1 136,-1.4 0.591 105.0 101.3 78.5 13.1 103.7 33.7 -3.5 19 36 A V E < +A 16 0A 1 -3,-1.7 -5,-0.7 134,-0.2 -3,-0.5 -0.941 52.0 167.0-128.6 100.5 106.8 32.3 -1.8 20 37 A Y E -A 13 0A 27 -2,-0.4 2,-0.3 134,-0.3 -7,-0.2 -0.934 40.0-124.2-126.8 148.7 109.1 35.1 -0.7 21 38 A A E -A 12 0A 0 -9,-2.5 -9,-1.8 -2,-0.3 2,-0.4 -0.658 37.7-131.4 -78.1 134.5 112.2 35.8 1.5 22 39 A R E -AB 11 345A 5 323,-2.6 323,-1.9 -2,-0.3 -11,-0.2 -0.813 13.5-133.6 -94.8 134.5 111.3 38.5 4.0 23 40 A T E > - B 0 344A 17 -13,-2.1 4,-2.5 -2,-0.4 5,-0.2 -0.316 28.7-105.1 -75.9 165.9 113.7 41.5 4.6 24 41 A A H > S+ 0 0 61 319,-0.5 4,-2.1 1,-0.2 5,-0.1 0.872 122.5 54.0 -59.2 -37.5 114.7 42.7 8.0 25 42 A L H > S+ 0 0 43 -16,-0.3 4,-1.2 2,-0.2 -1,-0.2 0.953 110.9 43.4 -61.7 -53.6 112.3 45.7 7.5 26 43 A Y H > S+ 0 0 0 -17,-0.4 4,-1.9 1,-0.2 3,-0.4 0.921 115.0 49.5 -58.1 -48.8 109.3 43.5 6.7 27 44 A E H X S+ 0 0 20 -4,-2.5 4,-2.5 1,-0.2 5,-0.2 0.849 103.4 59.1 -61.9 -38.3 110.0 41.0 9.6 28 45 A S H X S+ 0 0 29 -4,-2.1 4,-1.5 1,-0.2 -1,-0.2 0.873 109.5 45.9 -60.4 -33.7 110.4 43.8 12.2 29 46 A I H X S+ 0 0 0 -4,-1.2 4,-2.6 -3,-0.4 -2,-0.2 0.910 109.7 51.5 -76.0 -42.7 106.8 44.8 11.4 30 47 A V H X S+ 0 0 8 -4,-1.9 4,-2.7 1,-0.2 -2,-0.2 0.926 112.6 48.7 -57.7 -45.6 105.3 41.3 11.4 31 48 A E H X S+ 0 0 122 -4,-2.5 4,-2.5 2,-0.2 -1,-0.2 0.865 111.6 48.0 -63.0 -40.2 107.0 40.8 14.9 32 49 A R H X S+ 0 0 91 -4,-1.5 4,-2.3 2,-0.2 -2,-0.2 0.894 112.7 48.3 -71.1 -35.6 105.6 44.1 16.2 33 50 A L H X S+ 0 0 4 -4,-2.6 4,-2.3 2,-0.2 -2,-0.2 0.915 111.9 50.4 -66.8 -42.0 102.2 43.2 14.9 34 51 A A H X S+ 0 0 29 -4,-2.7 4,-2.2 2,-0.2 -2,-0.2 0.911 111.1 48.3 -59.8 -46.4 102.5 39.8 16.6 35 52 A A H X S+ 0 0 61 -4,-2.5 4,-1.9 1,-0.2 -2,-0.2 0.889 110.8 51.7 -62.4 -39.9 103.6 41.5 19.9 36 53 A L H X S+ 0 0 15 -4,-2.3 4,-0.6 2,-0.2 -2,-0.2 0.887 109.4 48.7 -63.2 -42.9 100.5 43.9 19.6 37 54 A I H >< S+ 0 0 4 -4,-2.3 3,-1.3 1,-0.2 -2,-0.2 0.920 110.2 53.0 -61.0 -45.9 98.1 40.9 19.1 38 55 A T H >< S+ 0 0 51 -4,-2.2 3,-1.9 1,-0.3 -2,-0.2 0.860 101.0 59.8 -56.5 -42.0 99.7 39.2 22.2 39 56 A S H 3< S+ 0 0 85 -4,-1.9 -1,-0.3 1,-0.3 -2,-0.2 0.674 103.8 52.4 -61.3 -21.2 99.1 42.4 24.3 40 57 A H T << S+ 0 0 55 -3,-1.3 2,-0.3 -4,-0.6 -1,-0.3 0.283 80.0 131.1 -97.5 6.7 95.3 42.0 23.6 41 58 A R < - 0 0 88 -3,-1.9 3,-0.1 1,-0.1 4,-0.1 -0.478 58.0-125.5 -66.1 125.1 95.3 38.3 24.8 42 59 A E > - 0 0 26 -2,-0.3 3,-0.7 1,-0.1 -1,-0.1 -0.309 35.7 -88.1 -67.1 151.7 92.4 37.6 27.3 43 60 A A T 3 S+ 0 0 87 1,-0.2 -1,-0.1 -2,-0.0 3,-0.1 -0.269 111.2 26.1 -62.2 145.6 93.2 36.1 30.7 44 61 A G T 3 S+ 0 0 71 1,-0.2 2,-0.5 -3,-0.1 89,-0.5 0.771 83.0 143.1 68.0 31.1 93.4 32.3 30.9 45 62 A T E < -i 133 0B 19 -3,-0.7 2,-0.5 87,-0.1 89,-0.2 -0.919 46.0-137.9-103.5 120.2 94.2 31.8 27.1 46 63 A E E -i 134 0B 60 87,-2.6 89,-2.8 -2,-0.5 2,-0.5 -0.702 14.0-143.2 -83.4 118.9 96.7 28.9 26.5 47 64 A A E +i 135 0B 13 -2,-0.5 273,-0.6 87,-0.2 2,-0.4 -0.731 24.2 173.8 -88.4 122.0 99.4 29.8 23.9 48 65 A L E -iJ 136 319B 1 87,-3.3 89,-0.7 -2,-0.5 2,-0.5 -0.981 17.9-153.4-126.8 139.2 100.4 27.0 21.6 49 66 A R E -iJ 137 318B 43 269,-2.1 269,-2.8 -2,-0.4 89,-0.2 -0.966 13.2-156.9-117.0 122.5 102.8 27.3 18.6 50 67 A F - 0 0 9 87,-2.7 89,-0.3 -2,-0.5 267,-0.1 -0.751 14.6-122.9-100.2 145.6 102.4 24.8 15.8 51 68 A P - 0 0 1 0, 0.0 59,-0.1 0, 0.0 -1,-0.1 -0.175 39.7 -97.1 -71.9 174.6 105.0 23.7 13.2 52 69 A P S S+ 0 0 7 0, 0.0 58,-2.0 0, 0.0 2,-0.3 0.541 105.8 60.3 -73.1 -3.4 104.2 24.2 9.4 53 70 A V E +Q 109 0C 1 56,-0.3 2,-0.3 87,-0.1 56,-0.2 -0.867 60.7 177.5-121.3 158.4 103.0 20.5 9.2 54 71 A M E -Q 108 0C 0 54,-2.3 54,-2.4 -2,-0.3 2,-0.1 -0.921 44.6 -63.9-149.9 169.9 100.3 18.5 10.9 55 72 A S E > -Q 107 0C 10 255,-0.6 4,-1.7 -2,-0.3 52,-0.3 -0.370 34.0-149.7 -60.0 126.6 98.8 15.0 10.8 56 73 A R H > S+ 0 0 47 50,-2.7 4,-2.7 2,-0.2 5,-0.2 0.914 99.0 54.0 -65.2 -41.1 97.2 14.2 7.4 57 74 A A H > S+ 0 0 62 49,-0.4 4,-2.8 1,-0.2 -1,-0.2 0.895 107.3 50.5 -60.3 -42.1 94.6 11.9 9.2 58 75 A Q H > S+ 0 0 26 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.890 113.5 45.8 -62.5 -40.2 93.6 14.7 11.6 59 76 A L H <>S+ 0 0 3 -4,-1.7 5,-1.4 2,-0.2 6,-0.3 0.895 112.2 49.8 -70.9 -40.2 93.1 17.1 8.6 60 77 A E H ><5S+ 0 0 39 -4,-2.7 3,-1.7 1,-0.2 5,-0.2 0.954 112.5 48.4 -58.3 -49.5 91.1 14.4 6.6 61 78 A K H 3<5S+ 0 0 118 -4,-2.8 -2,-0.2 1,-0.3 -1,-0.2 0.792 102.3 63.5 -60.5 -32.1 88.9 13.8 9.8 62 79 A S T 3<5S- 0 0 3 -4,-1.6 -1,-0.3 -5,-0.2 -2,-0.2 0.486 114.0-118.5 -72.2 -5.7 88.4 17.7 10.1 63 80 A G T X>5 + 0 0 20 -3,-1.7 3,-1.2 -4,-0.2 4,-0.7 0.578 68.0 141.9 76.1 17.6 86.7 17.6 6.7 64 81 A Y H >>X + 0 0 16 -4,-2.9 3,-1.3 132,-0.2 4,-0.8 -0.406 62.8 148.9-133.3 59.8 89.1 23.0 -0.1 69 86 A P G >4 S+ 0 0 4 0, 0.0 3,-0.5 0, 0.0 305,-0.4 0.853 77.3 58.9 -61.4 -32.5 90.7 19.9 -1.7 70 87 A N G 34 S+ 0 0 43 1,-0.2 -5,-0.1 -3,-0.1 -2,-0.1 0.624 104.7 50.4 -66.1 -24.2 92.3 22.2 -4.4 71 88 A L G <4 S+ 0 0 8 -3,-1.3 72,-2.6 71,-0.1 -1,-0.2 0.643 83.2 113.9 -91.9 -19.2 94.2 24.2 -1.7 72 89 A L << - 0 0 8 -4,-0.8 2,-0.6 -3,-0.5 302,-0.4 -0.376 50.4-156.8 -66.6 128.3 95.8 21.4 0.2 73 90 A G - 0 0 0 36,-0.5 36,-2.8 68,-0.3 2,-0.3 -0.933 15.8-163.9-101.3 114.4 99.6 20.9 0.2 74 91 A C E -RS 108 372C 0 298,-2.8 298,-2.4 -2,-0.6 2,-0.5 -0.819 19.1-123.2-102.2 139.7 100.4 17.3 1.0 75 92 A V E - S 0 371C 1 32,-2.0 30,-3.3 -2,-0.3 32,-0.3 -0.731 35.3-179.6 -82.8 128.0 103.9 16.1 2.1 76 93 A a E +RS 104 370C 4 294,-2.7 294,-3.1 -2,-0.5 2,-0.3 -0.884 3.7 168.6-121.7 160.0 105.3 13.4 -0.2 77 94 A G E -R 103 0C 3 26,-2.2 26,-2.3 -2,-0.3 2,-1.0 -0.947 47.6 -85.2-157.5 174.7 108.6 11.5 -0.1 78 95 A L + 0 0 12 287,-0.5 24,-0.1 290,-0.4 7,-0.1 -0.832 51.3 162.6 -89.6 95.8 110.6 8.6 -1.5 79 96 A H + 0 0 82 -2,-1.0 -1,-0.1 22,-0.5 23,-0.1 0.243 38.0 104.6-100.2 4.6 109.2 5.9 0.9 80 97 A G S S- 0 0 35 21,-0.3 2,-0.1 1,-0.2 -2,-0.0 0.140 79.4 -65.7 -75.7-166.5 110.4 2.9 -1.2 81 98 A T > - 0 0 82 1,-0.1 4,-2.5 4,-0.0 5,-0.2 -0.309 51.2-101.4 -76.8 165.2 113.2 0.4 -0.9 82 99 A E H > S+ 0 0 155 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.866 125.9 51.5 -55.0 -39.4 116.9 1.4 -1.2 83 100 A R H > S+ 0 0 209 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.905 110.8 46.9 -64.5 -45.7 116.9 0.0 -4.8 84 101 A E H > S+ 0 0 108 2,-0.2 4,-2.1 1,-0.2 -2,-0.2 0.873 114.3 47.6 -64.8 -40.7 113.8 2.1 -5.7 85 102 A I H X S+ 0 0 22 -4,-2.5 4,-2.3 2,-0.2 -2,-0.2 0.935 112.6 48.1 -66.9 -48.1 115.2 5.3 -4.1 86 103 A N H X S+ 0 0 90 -4,-2.7 4,-2.2 1,-0.2 -2,-0.2 0.878 112.4 50.0 -58.3 -42.0 118.6 4.8 -5.9 87 104 A A H X S+ 0 0 44 -4,-2.2 4,-2.2 2,-0.2 -1,-0.2 0.896 109.1 51.9 -63.9 -42.2 116.8 4.2 -9.2 88 105 A A H X S+ 0 0 0 -4,-2.1 4,-1.8 2,-0.2 -2,-0.2 0.942 112.3 45.2 -57.9 -50.0 114.7 7.4 -8.7 89 106 A V H X S+ 0 0 8 -4,-2.3 4,-2.0 1,-0.2 -1,-0.2 0.853 110.8 54.4 -62.2 -40.6 117.9 9.5 -8.1 90 107 A S H X S+ 0 0 69 -4,-2.2 4,-1.7 2,-0.2 -1,-0.2 0.884 106.1 51.9 -63.5 -38.9 119.6 7.8 -11.1 91 108 A R H <>S+ 0 0 86 -4,-2.2 5,-3.1 1,-0.2 -2,-0.2 0.915 109.0 50.6 -62.7 -42.3 116.6 8.9 -13.3 92 109 A F H ><5S+ 0 0 50 -4,-1.8 3,-1.2 1,-0.2 -2,-0.2 0.882 109.3 51.1 -61.0 -42.2 117.1 12.5 -12.1 93 110 A D H 3<5S+ 0 0 84 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.817 107.9 53.5 -63.4 -34.6 120.8 12.3 -12.9 94 111 A A T 3<5S- 0 0 87 -4,-1.7 -1,-0.3 -3,-0.1 -2,-0.2 0.052 127.3 -98.2 -91.2 25.1 120.0 11.1 -16.5 95 112 A G T < 5S+ 0 0 76 -3,-1.2 -3,-0.2 1,-0.2 -2,-0.1 0.531 87.9 121.1 70.9 11.1 117.6 14.1 -17.1 96 113 A G S + 0 0 81 1,-0.1 3,-0.7 -3,-0.1 4,-0.1 -0.860 32.9 176.7-104.2 106.1 111.7 12.4 -13.6 98 115 A W G > S+ 0 0 3 -2,-0.7 3,-1.7 1,-0.2 -1,-0.1 0.710 71.9 80.4 -73.6 -24.4 112.5 11.2 -10.0 99 116 A T G > S+ 0 0 9 1,-0.3 3,-1.9 2,-0.2 -1,-0.2 0.637 71.2 77.8 -62.0 -17.8 109.0 12.4 -8.8 100 117 A T G < S+ 0 0 100 -3,-0.7 -1,-0.3 1,-0.3 -2,-0.1 0.744 90.3 57.8 -63.0 -23.5 107.2 9.3 -10.1 101 118 A S G < S+ 0 0 39 -3,-1.7 -22,-0.5 -4,-0.1 -21,-0.3 0.406 82.8 114.2 -87.6 1.4 108.6 7.5 -7.0 102 119 A L < - 0 0 27 -3,-1.9 -24,-0.2 -24,-0.1 -26,-0.0 -0.448 40.6-179.6 -73.4 145.5 106.9 9.9 -4.6 103 120 A S E - R 0 77C 44 -26,-2.3 -26,-2.2 -2,-0.1 -2,-0.0 -0.969 36.8 -88.8-139.2 150.5 104.2 8.6 -2.3 104 121 A P E - R 0 76C 36 0, 0.0 -28,-0.3 0, 0.0 2,-0.1 -0.312 36.4-142.2 -64.9 145.5 102.2 10.6 0.3 105 122 A A E - 0 0 2 -30,-3.3 -30,-0.1 2,-0.4 -26,-0.0 -0.282 32.9-100.6 -87.1-178.1 103.5 10.9 3.9 106 123 A D E S+ 0 0 65 -2,-0.1 -50,-2.7 -50,-0.1 -49,-0.4 0.160 100.9 81.1 -87.3 14.2 101.3 10.8 7.0 107 124 A L E -Q 55 0C 0 -32,-0.3 -32,-2.0 -52,-0.3 -2,-0.4 -0.921 55.2-170.8-127.5 151.1 101.7 14.7 7.0 108 125 A V E -QR 54 74C 0 -54,-2.4 -54,-2.3 -2,-0.3 2,-0.4 -0.892 38.0-102.8-127.6 160.2 100.2 17.8 5.3 109 126 A L E -Q 53 0C 4 -36,-2.8 -36,-0.5 -2,-0.3 -56,-0.3 -0.741 54.0-103.6 -80.5 129.3 101.3 21.4 5.3 110 127 A S - 0 0 0 -58,-2.0 31,-2.5 -2,-0.4 3,-0.1 -0.392 30.3-165.8 -60.2 122.5 98.8 23.1 7.7 111 128 A P S S+ 0 0 0 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.657 78.3 17.3 -85.2 -14.1 96.1 25.1 5.7 112 129 A A S S- 0 0 3 27,-0.1 3,-0.4 1,-0.1 27,-0.1 -0.965 75.3-126.6-154.4 141.1 94.9 27.0 8.9 113 130 A A S S+ 0 0 0 -2,-0.3 24,-0.2 1,-0.2 4,-0.2 0.797 101.3 57.0 -61.6 -34.9 96.6 27.5 12.3 114 131 A C S >> S+ 0 0 3 1,-0.2 3,-2.5 2,-0.1 4,-0.5 0.756 77.3 91.0 -74.7 -28.7 93.7 26.2 14.5 115 132 A Y T >4 S+ 0 0 30 -3,-0.4 3,-0.9 1,-0.3 -1,-0.2 0.794 86.8 49.2 -36.7 -52.1 93.2 22.7 13.0 116 133 A P T 3> S+ 0 0 1 0, 0.0 4,-0.9 0, 0.0 -1,-0.3 0.662 98.7 70.8 -67.3 -15.4 95.6 20.8 15.4 117 134 A V H <> S+ 0 0 0 -3,-2.5 4,-2.4 -4,-0.2 -2,-0.2 0.799 86.9 62.6 -70.3 -33.3 94.1 22.5 18.5 118 135 A Y H S+ 0 0 19 0, 0.0 4,-1.3 0, 0.0 -1,-0.2 0.819 113.7 54.8 -63.3 -30.3 92.2 17.0 19.0 120 137 A I H < S+ 0 0 10 -4,-0.9 4,-0.3 2,-0.2 3,-0.2 0.937 110.8 43.2 -64.7 -48.4 94.5 18.6 21.7 121 138 A A H >< S+ 0 0 0 -4,-2.4 3,-1.2 1,-0.2 -1,-0.2 0.865 111.5 55.7 -64.9 -37.7 91.5 20.0 23.6 122 139 A A H >< S+ 0 0 24 -4,-2.2 3,-1.4 1,-0.2 -1,-0.2 0.797 96.9 63.3 -64.8 -33.4 89.4 16.8 23.2 123 140 A S T 3< S+ 0 0 99 -4,-1.3 -1,-0.2 1,-0.3 -2,-0.2 0.563 94.2 64.5 -67.9 -13.3 92.2 14.6 24.8 124 141 A R T < S- 0 0 99 -3,-1.2 -1,-0.3 1,-0.3 -2,-0.2 0.387 104.8-128.4 -91.6 -3.1 91.7 16.6 28.1 125 142 A G < + 0 0 33 -3,-1.4 -1,-0.3 -4,-0.1 126,-0.2 -0.468 62.1 6.0 86.7-160.0 88.1 15.3 28.6 126 143 A P S S- 0 0 93 0, 0.0 126,-0.2 0, 0.0 127,-0.1 -0.274 80.3-109.8 -62.0 143.6 85.0 17.5 29.2 127 144 A L - 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N 0 232B 1 9,-2.5 9,-3.3 -2,-0.4 2,-0.5 -0.984 27.8-120.2-120.8 126.5 91.2 46.7 4.0 224 241 A P + 0 0 29 0, 0.0 -34,-0.2 0, 0.0 4,-0.2 -0.548 43.4 157.4 -67.7 115.9 91.4 48.4 0.5 225 242 A L S S+ 0 0 1 -2,-0.5 3,-0.1 5,-0.4 0, 0.0 0.653 87.4 8.0-109.1 -21.4 94.8 47.5 -0.9 226 243 A R S S- 0 0 68 1,-0.5 2,-0.3 4,-0.5 3,-0.0 0.658 136.1 -25.0-120.9 -44.5 93.8 48.2 -4.5 227 244 A S - 0 0 28 3,-0.5 -1,-0.5 -4,-0.1 -2,-0.4 -0.954 52.3-110.5-165.0 166.2 90.3 49.7 -4.3 228 245 A E S S+ 0 0 120 -2,-0.3 -1,-0.0 1,-0.2 -6,-0.0 0.737 118.2 65.0 -75.9 -24.4 87.2 49.9 -2.0 229 246 A E S S+ 0 0 159 1,-0.3 -1,-0.2 -3,-0.0 0, 0.0 0.894 117.1 21.6 -61.2 -47.4 85.6 47.8 -4.8 230 247 A Q S S+ 0 0 144 2,-0.0 -3,-0.5 -8,-0.0 -4,-0.5 -0.719 84.9 176.8-126.0 74.9 87.9 44.8 -4.1 231 248 A P - 0 0 26 0, 0.0 2,-0.5 0, 0.0 -3,-0.1 -0.316 30.2-110.8 -78.2 167.4 89.4 45.0 -0.5 232 249 A T E -N 223 0B 7 -9,-3.3 -9,-2.5 37,-0.1 2,-0.7 -0.878 19.6-129.2-102.5 127.8 91.7 42.4 1.1 233 250 A A E +N 222 0B 9 -2,-0.5 -11,-0.2 -11,-0.2 3,-0.1 -0.645 34.1 168.6 -75.5 108.8 90.4 40.3 4.0 234 251 A C E + 0 0 0 -13,-2.7 32,-2.5 -2,-0.7 2,-0.3 0.524 65.3 21.8-102.1 -11.7 93.2 40.7 6.7 235 252 A M E -NO 221 265B 1 -14,-0.8 -14,-1.8 30,-0.2 2,-0.3 -0.966 67.1-154.6-148.8 156.0 91.3 39.1 9.6 236 253 A S E -NO 220 264B 0 28,-2.1 28,-2.5 -2,-0.3 2,-0.5 -0.966 8.1-156.1-136.2 150.1 88.4 36.6 9.9 237 254 A F E -NO 219 263B 0 -18,-2.8 -18,-2.2 -2,-0.3 2,-0.4 -0.965 26.0-173.6-127.2 101.0 85.8 35.9 12.6 238 255 A N E -NO 218 262B 9 24,-2.9 24,-2.3 -2,-0.5 2,-0.5 -0.885 20.3-165.4-110.0 132.3 84.6 32.3 12.2 239 256 A Y E - 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0 0 2 -5,-2.7 8,-3.2 -6,-0.3 2,-0.5 -0.770 14.3-159.8 -83.9 117.8 84.5 17.5 22.6 251 268 A Q B -V 257 0D 97 -2,-0.7 -124,-2.8 6,-0.2 5,-0.0 -0.863 6.1-142.0 -99.2 129.1 81.9 17.6 25.4 252 269 A D > - 0 0 8 4,-3.3 3,-1.8 -2,-0.5 -123,-0.1 -0.138 40.4 -86.0 -76.5-178.7 81.0 21.0 26.9 253 270 A A T 3 S+ 0 0 48 -125,-0.4 -124,-0.1 1,-0.3 -1,-0.1 0.720 131.3 55.3 -61.7 -22.5 80.3 21.4 30.7 254 271 A N T 3 S- 0 0 126 2,-0.1 -1,-0.3 3,-0.0 -2,-0.0 0.149 120.6-108.9 -92.6 10.5 76.6 20.4 30.0 255 272 A G S < S+ 0 0 34 -3,-1.8 -2,-0.1 1,-0.2 3,-0.0 0.551 80.3 129.6 68.4 10.8 77.7 17.1 28.4 256 273 A E S S- 0 0 124 1,-0.1 -4,-3.3 -5,-0.0 -1,-0.2 -0.578 73.9 -84.3 -91.7 154.9 76.7 18.5 24.9 257 274 A P B -V 251 0D 56 0, 0.0 -6,-0.2 0, 0.0 -11,-0.2 -0.431 58.8-110.8 -61.0 126.1 78.9 18.6 21.7 258 275 A A - 0 0 0 -8,-3.2 -13,-0.6 -13,-0.3 2,-0.3 -0.229 21.1-137.4 -62.9 143.0 81.1 21.7 22.0 259 276 A H E -L 164 0B 29 -95,-3.5 -95,-2.5 -14,-0.1 2,-0.3 -0.745 22.8-159.8 -93.9 148.3 80.7 24.7 19.8 260 277 A T E +LO 163 241B 0 -19,-2.1 -20,-2.8 -2,-0.3 -19,-0.6 -0.962 15.5 171.2-134.9 154.2 83.9 26.4 18.4 261 278 A G E -LO 162 239B 0 -99,-2.0 -99,-2.8 -2,-0.3 2,-0.3 -0.967 10.4-159.5-152.1 158.0 84.9 29.7 17.0 262 279 A C E -LO 161 238B 0 -24,-2.3 -24,-2.9 -2,-0.3 2,-0.5 -0.999 15.1-150.0-147.5 145.8 88.2 31.4 16.0 263 280 A V E -LO 160 237B 0 -103,-2.9 -103,-2.2 -2,-0.3 2,-0.4 -0.983 29.0-164.2-111.8 113.1 89.5 35.0 15.3 264 281 A A E -LO 159 236B 0 -28,-2.5 -28,-2.1 -2,-0.5 2,-0.5 -0.899 11.2-158.8-110.2 132.3 92.3 34.8 12.7 265 282 A F E -LO 158 235B 1 -107,-3.6 -107,-2.1 -2,-0.4 2,-1.2 -0.933 15.0-141.9-110.4 122.6 94.9 37.4 11.9 266 283 A G E > -L 157 0B 0 -32,-2.5 4,-2.8 -2,-0.5 5,-0.2 -0.759 18.6-168.6 -82.5 93.6 96.6 37.2 8.5 267 284 A M H > S+ 0 0 8 -111,-1.4 4,-1.9 -2,-1.2 -1,-0.2 0.872 83.9 43.7 -53.7 -44.5 100.1 38.3 9.7 268 285 A D H > S+ 0 0 3 -112,-0.7 4,-2.5 2,-0.2 -1,-0.2 0.870 114.8 49.1 -72.4 -37.3 101.5 38.8 6.2 269 286 A R H > S+ 0 0 31 2,-0.2 4,-2.6 1,-0.2 -2,-0.2 0.892 112.0 48.8 -69.7 -38.2 98.3 40.6 4.9 270 287 A L H X S+ 0 0 4 -4,-2.8 4,-2.2 -36,-0.2 -2,-0.2 0.891 112.5 48.3 -66.3 -41.3 98.3 42.9 8.0 271 288 A A H X S+ 0 0 0 -4,-1.9 4,-2.0 -5,-0.2 -2,-0.2 0.931 113.5 46.5 -65.0 -46.7 102.1 43.7 7.4 272 289 A V H X S+ 0 0 0 -4,-2.5 4,-2.5 1,-0.2 -2,-0.2 0.900 111.3 53.0 -62.0 -40.8 101.5 44.4 3.7 273 290 A A H X S+ 0 0 0 -4,-2.6 4,-2.3 1,-0.2 -2,-0.2 0.909 108.3 51.2 -60.5 -42.4 98.5 46.6 4.6 274 291 A M H X S+ 0 0 0 -4,-2.2 4,-2.8 1,-0.2 5,-0.2 0.893 113.5 43.0 -60.3 -47.1 100.7 48.6 7.1 275 292 A F H X S+ 0 0 0 -4,-2.0 4,-1.9 2,-0.2 -1,-0.2 0.857 114.2 50.2 -69.8 -37.8 103.4 49.2 4.4 276 293 A H H < S+ 0 0 63 -4,-2.5 -2,-0.2 -5,-0.2 -1,-0.2 0.899 118.5 39.9 -65.1 -41.6 100.8 50.1 1.7 277 294 A T H < S+ 0 0 55 -4,-2.3 -2,-0.2 -5,-0.2 -3,-0.2 0.904 132.7 20.4 -72.2 -48.7 99.1 52.5 4.1 278 295 A H H < S- 0 0 33 -4,-2.8 3,-0.3 1,-0.2 -3,-0.2 0.439 103.7-122.8-108.8 -3.2 102.1 54.1 5.8 279 296 A G < - 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0 0 2 5,-0.7 -255,-0.6 2,-0.4 -252,-0.2 0.144 57.2 -97.4-122.8 13.9 100.1 16.3 17.2 311 32 B G S S+ 0 0 47 1,-0.1 2,-0.3 -257,-0.1 -254,-0.1 0.726 99.1 86.6 75.9 25.9 99.6 12.6 16.3 312 33 B S S > S- 0 0 8 3,-0.5 3,-1.8 -257,-0.1 -2,-0.4 -0.923 82.2-110.0-157.4 127.7 103.0 12.3 14.5 313 34 B D T 3 S+ 0 0 60 -2,-0.3 130,-0.2 1,-0.3 127,-0.1 -0.374 104.6 12.2 -60.1 128.7 106.4 11.4 15.9 314 35 B G T 3 S+ 0 0 1 128,-0.2 135,-2.3 127,-0.1 136,-1.4 0.564 105.2 100.4 78.7 11.2 108.8 14.4 15.8 315 36 B V < + 0 0 0 -3,-1.8 -5,-0.7 134,-0.2 -3,-0.5 -0.941 52.7 167.0-127.1 99.9 105.9 16.9 15.1 316 37 B Y E - P 0 309B 32 -2,-0.5 2,-0.3 134,-0.3 -7,-0.2 -0.935 39.7-122.9-125.6 149.0 104.9 18.7 18.3 317 38 B A E - P 0 308B 0 -9,-2.5 -9,-1.7 -2,-0.3 2,-0.4 -0.640 38.4-130.6 -76.7 138.8 102.8 21.6 19.5 318 39 B R E -JP 49 307B 9 -269,-2.8 -269,-2.1 -2,-0.3 -11,-0.2 -0.817 12.4-134.9-104.0 130.1 105.0 24.0 21.5 319 40 B T E > -J 48 0B 19 -13,-2.2 4,-2.5 -2,-0.4 5,-0.2 -0.321 28.5-107.2 -73.9 165.3 104.1 25.3 24.9 320 41 B A H > S+ 0 0 54 -273,-0.6 4,-2.1 1,-0.2 5,-0.1 0.869 121.4 54.6 -59.7 -37.0 104.5 29.0 26.0 321 42 B L H > S+ 0 0 43 -16,-0.3 4,-1.3 2,-0.2 -1,-0.2 0.953 110.9 42.7 -61.1 -53.7 107.4 27.9 28.2 322 43 B Y H > S+ 0 0 0 -17,-0.4 4,-1.8 1,-0.2 3,-0.4 0.924 115.5 49.3 -59.2 -48.4 109.3 26.2 25.4 323 44 B E H X S+ 0 0 18 -4,-2.5 4,-2.5 1,-0.2 5,-0.2 0.849 103.8 58.9 -62.2 -37.7 108.7 29.0 22.8 324 45 B S H X S+ 0 0 29 -4,-2.1 4,-1.6 -5,-0.2 -1,-0.2 0.875 109.3 46.2 -61.0 -34.6 109.8 31.7 25.3 325 46 B I H X S+ 0 0 0 -4,-1.3 4,-2.5 -3,-0.4 -2,-0.2 0.905 109.6 51.4 -74.9 -42.4 113.2 30.0 25.4 326 47 B V H X S+ 0 0 9 -4,-1.8 4,-2.6 1,-0.2 -2,-0.2 0.926 112.5 48.7 -58.2 -46.5 113.5 29.4 21.6 327 48 B E H X S+ 0 0 122 -4,-2.5 4,-2.5 2,-0.2 -1,-0.2 0.872 111.7 48.0 -61.7 -40.3 112.8 33.2 21.2 328 49 B R H X S+ 0 0 94 -4,-1.6 4,-2.2 2,-0.2 -2,-0.2 0.893 112.4 48.4 -71.1 -35.8 115.4 34.2 23.8 329 50 B L H X S+ 0 0 0 -4,-2.5 4,-2.3 2,-0.2 -2,-0.2 0.917 111.7 50.8 -66.8 -41.3 118.0 31.9 22.2 330 51 B A H X S+ 0 0 30 -4,-2.6 4,-2.2 2,-0.2 -2,-0.2 0.913 110.7 48.4 -60.4 -46.7 117.1 33.5 18.8 331 52 B A H X S+ 0 0 63 -4,-2.5 4,-1.9 1,-0.2 -2,-0.2 0.889 110.9 51.6 -62.5 -39.8 117.5 37.0 20.3 332 53 B L H X S+ 0 0 13 -4,-2.2 4,-0.6 2,-0.2 -2,-0.2 0.891 109.2 48.9 -63.5 -42.7 120.9 35.9 21.8 333 54 B I H >< S+ 0 0 1 -4,-2.3 3,-1.3 1,-0.2 -2,-0.2 0.921 110.0 53.4 -61.4 -44.9 122.2 34.6 18.4 334 55 B T H >< S+ 0 0 50 -4,-2.2 3,-1.9 1,-0.3 -2,-0.2 0.860 100.4 60.2 -55.9 -42.8 121.0 38.0 16.8 335 56 B S H 3< S+ 0 0 87 -4,-1.9 -1,-0.3 1,-0.3 -2,-0.2 0.688 103.6 52.5 -61.3 -21.1 123.1 39.9 19.4 336 57 B H T << S+ 0 0 54 -3,-1.3 2,-0.3 -4,-0.6 -1,-0.3 0.283 79.6 130.3 -97.2 7.2 126.3 38.1 18.1 337 58 B R < - 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0 0 29 -4,-1.8 -1,-0.2 -5,-0.3 -2,-0.1 -0.092 32.8 -72.7 88.4 171.8 115.4 22.1 34.1 557 297 B T S S+ 0 0 39 -4,-0.1 2,-0.8 1,-0.1 -1,-0.2 0.478 105.2 89.3 -84.5 -4.9 111.9 23.4 33.3 558 298 B D > - 0 0 98 -3,-0.2 3,-1.1 1,-0.2 4,-0.1 -0.852 57.5-168.7 -97.8 103.9 111.8 26.0 36.2 559 299 B L G > S+ 0 0 29 -2,-0.8 3,-1.6 1,-0.2 -1,-0.2 0.795 82.7 64.7 -61.3 -33.1 113.2 29.3 34.7 560 300 B S G 3 S+ 0 0 95 1,-0.3 -1,-0.2 12,-0.0 7,-0.0 0.755 102.8 49.7 -63.1 -25.1 113.5 30.9 38.2 561 301 B A G < S+ 0 0 70 -3,-1.1 -1,-0.3 -6,-0.1 -2,-0.2 0.312 84.3 112.7 -96.4 4.6 116.0 28.2 39.2 562 302 B W S < S- 0 0 7 -3,-1.6 5,-0.1 1,-0.1 -6,-0.0 -0.473 86.1 -81.6 -71.6 151.5 118.3 28.7 36.1 563 303 B P > - 0 0 56 0, 0.0 4,-3.0 0, 0.0 5,-0.2 -0.236 36.5-122.2 -57.3 143.2 121.8 30.2 36.9 564 304 B A H > S+ 0 0 82 2,-0.2 4,-2.4 1,-0.2 8,-0.1 0.838 112.4 50.8 -52.6 -41.2 121.8 34.0 37.3 565 305 B K H > S+ 0 0 159 2,-0.2 4,-3.1 1,-0.2 -1,-0.2 0.924 112.8 46.0 -64.7 -45.1 124.4 34.5 34.5 566 306 B V H > S+ 0 0 4 2,-0.2 4,-1.8 1,-0.2 -2,-0.2 0.934 114.6 47.5 -62.5 -48.5 122.3 32.3 32.1 567 307 B R H <>S+ 0 0 81 -4,-3.0 5,-3.5 1,-0.2 4,-0.2 0.866 113.8 49.8 -60.8 -38.3 119.1 34.2 33.1 568 308 B D H ><5S+ 0 0 125 -4,-2.4 3,-1.5 3,-0.2 -2,-0.2 0.944 109.1 48.7 -66.6 -51.7 121.0 37.5 32.6 569 309 B I H 3<5S+ 0 0 54 -4,-3.1 -2,-0.2 1,-0.3 -1,-0.2 0.812 115.4 46.0 -60.8 -30.5 122.4 36.7 29.1 570 310 B L T 3<5S- 0 0 11 -4,-1.8 -1,-0.3 -5,-0.2 -2,-0.2 0.425 114.6-118.6 -88.6 -3.3 118.9 35.6 28.0 571 311 B G T < 5 0 0 52 -3,-1.5 -3,-0.2 -4,-0.2 -2,-0.1 0.869 360.0 360.0 65.6 41.6 117.3 38.7 29.5 572 312 B L < 0 0 60 -5,-3.5 -1,-0.1 -8,-0.1 -12,-0.0 -0.014 360.0 360.0 -96.0 360.0 115.1 36.7 32.0 573 !* 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 574 1001 A X 0 0 38 0, 0.0 -459,-0.1 0, 0.0 -461,-0.1 0.000 360.0 360.0 360.0 360.0 90.6 30.7 10.3 575 !* 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 576 1001 B X 0 0 39 0, 0.0 -165,-0.1 0, 0.0 -167,-0.1 0.000 360.0 360.0 360.0 360.0 123.6 23.6 7.7