==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=4-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LIGASE 13-APR-01 1IFX . COMPND 2 MOLECULE: NH(3)-DEPENDENT NAD(+) SYNTHETASE; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS SUBTILIS; . AUTHOR Y.DEVEDJIEV,J.SYMERSKY,R.SINGH,W.BROUILLETTE,D.MUCCIO, . 490 6 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 21250.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 346 70.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 39 8.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 14 2.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 41 8.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 222 45.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 16 3.3 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 2 1 0 0 3 3 2 0 0 1 1 2 0 0 1 3 0 0 0 2 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 5 2 0 2 1 1 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 . 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 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 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 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 S > 0 0 104 0, 0.0 4,-2.2 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 139.9 34.9 76.9 34.1 2 2 A M H > + 0 0 64 2,-0.2 4,-2.5 3,-0.2 5,-0.3 0.802 360.0 57.4 -76.1 -29.8 32.6 73.9 34.1 3 3 A Q H > S+ 0 0 32 2,-0.2 4,-2.1 1,-0.2 5,-0.2 0.980 112.8 41.2 -61.9 -51.1 32.3 74.2 37.9 4 4 A E H > S+ 0 0 101 1,-0.2 4,-1.7 2,-0.2 -2,-0.2 0.885 115.0 51.9 -60.0 -46.0 31.0 77.8 37.3 5 5 A K H X S+ 0 0 61 -4,-2.2 4,-1.8 2,-0.2 -1,-0.2 0.890 112.3 42.8 -60.6 -46.9 28.9 76.7 34.3 6 6 A I H X S+ 0 0 0 -4,-2.5 4,-1.9 2,-0.2 -1,-0.2 0.901 110.5 57.6 -66.4 -42.3 27.0 73.9 36.1 7 7 A M H <>S+ 0 0 29 -4,-2.1 5,-2.0 -5,-0.3 -1,-0.2 0.854 111.2 43.4 -55.9 -42.2 26.6 76.0 39.2 8 8 A R H ><5S+ 0 0 141 -4,-1.7 3,-0.6 2,-0.2 -1,-0.2 0.834 111.4 50.7 -74.7 -38.6 24.8 78.6 37.1 9 9 A E H 3<5S+ 0 0 90 -4,-1.8 -2,-0.2 1,-0.2 -1,-0.2 0.748 115.1 46.3 -71.2 -23.5 22.6 76.2 35.1 10 10 A L T 3<5S- 0 0 18 -4,-1.9 -1,-0.2 -5,-0.1 -2,-0.2 0.384 109.3-127.0 -97.8 0.2 21.6 74.6 38.4 11 11 A H T < 5 + 0 0 70 -3,-0.6 2,-0.2 1,-0.2 -3,-0.2 0.698 47.9 161.2 63.1 31.5 20.9 78.0 40.0 12 12 A V < - 0 0 13 -5,-2.0 -1,-0.2 -6,-0.2 168,-0.1 -0.533 29.3-146.9 -85.0 144.9 23.1 77.5 43.1 13 13 A K - 0 0 73 166,-0.5 3,-0.1 -2,-0.2 200,-0.0 -0.868 11.2-142.2-106.9 137.0 24.2 80.5 45.2 14 14 A P S S+ 0 0 89 0, 0.0 2,-0.4 0, 0.0 -1,-0.1 0.908 92.3 27.3 -67.7 -29.3 27.6 80.3 46.9 15 15 A S S S- 0 0 104 -3,-0.1 2,-0.3 2,-0.0 0, 0.0 -0.989 74.0-171.5-135.2 135.3 26.1 82.1 49.9 16 16 A I - 0 0 34 -2,-0.4 0, 0.0 -3,-0.1 0, 0.0 -0.871 26.3-136.8-124.8 158.1 22.5 82.2 51.2 17 17 A D > - 0 0 92 -2,-0.3 4,-2.4 1,-0.2 3,-0.2 -0.940 23.2-152.4-109.6 105.6 20.3 84.0 53.7 18 18 A P H > S+ 0 0 30 0, 0.0 4,-2.0 0, 0.0 -1,-0.2 0.860 91.1 45.7 -45.7 -55.7 18.2 81.2 55.3 19 19 A K H > S+ 0 0 104 1,-0.2 4,-2.1 2,-0.2 5,-0.1 0.875 114.7 47.9 -60.5 -38.9 15.1 83.3 56.3 20 20 A Q H > S+ 0 0 102 -3,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.885 108.9 55.0 -70.1 -36.4 15.1 85.1 52.9 21 21 A E H X S+ 0 0 7 -4,-2.4 4,-1.9 2,-0.2 -2,-0.2 0.906 108.3 49.0 -60.7 -43.7 15.3 81.7 51.2 22 22 A I H X S+ 0 0 2 -4,-2.0 4,-2.5 1,-0.2 5,-0.3 0.963 112.1 47.2 -61.2 -51.8 12.3 80.4 53.1 23 23 A E H X S+ 0 0 90 -4,-2.1 4,-2.0 1,-0.2 -1,-0.2 0.836 111.2 52.1 -60.0 -35.4 10.2 83.5 52.2 24 24 A D H X S+ 0 0 53 -4,-2.3 4,-1.7 2,-0.2 -1,-0.2 0.865 112.5 44.6 -68.9 -40.7 11.3 83.3 48.5 25 25 A R H X S+ 0 0 3 -4,-1.9 4,-1.9 2,-0.2 -2,-0.2 0.890 113.3 48.6 -74.4 -35.4 10.2 79.6 48.3 26 26 A V H X S+ 0 0 6 -4,-2.5 4,-2.3 1,-0.2 -2,-0.2 0.918 113.5 50.4 -67.7 -42.7 6.9 80.1 50.1 27 27 A N H X S+ 0 0 72 -4,-2.0 4,-2.4 -5,-0.3 -2,-0.2 0.828 106.7 53.1 -65.8 -36.2 6.3 83.1 47.8 28 28 A F H X S+ 0 0 6 -4,-1.7 4,-2.7 2,-0.2 5,-0.2 0.958 111.2 47.0 -61.1 -51.8 7.1 81.0 44.6 29 29 A L H X S+ 0 0 0 -4,-1.9 4,-1.6 2,-0.2 -2,-0.2 0.898 114.4 46.9 -55.1 -48.5 4.5 78.4 45.7 30 30 A K H X S+ 0 0 21 -4,-2.3 4,-2.0 1,-0.2 -1,-0.2 0.923 113.8 48.6 -60.9 -43.0 1.9 81.1 46.5 31 31 A Q H X S+ 0 0 99 -4,-2.4 4,-1.8 1,-0.2 -2,-0.2 0.870 109.9 49.5 -68.1 -40.1 2.6 82.9 43.2 32 32 A Y H X S+ 0 0 11 -4,-2.7 4,-1.9 2,-0.2 -1,-0.2 0.891 110.7 51.7 -64.7 -44.7 2.4 79.8 40.9 33 33 A V H X>S+ 0 0 7 -4,-1.6 4,-2.2 -5,-0.2 5,-1.5 0.925 109.1 49.3 -57.4 -48.0 -0.9 78.8 42.5 34 34 A K H <5S+ 0 0 100 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.874 110.7 49.4 -62.2 -41.3 -2.5 82.2 42.0 35 35 A K H <5S+ 0 0 118 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.886 120.9 35.3 -65.7 -42.2 -1.5 82.4 38.3 36 36 A T H <5S- 0 0 66 -4,-1.9 -2,-0.2 -5,-0.2 -1,-0.2 0.677 102.3-128.0 -87.5 -19.0 -2.8 78.9 37.5 37 37 A G T <5 + 0 0 62 -4,-2.2 -3,-0.2 -5,-0.2 -4,-0.1 0.878 47.2 166.7 72.2 37.2 -5.8 79.0 39.8 38 38 A A < - 0 0 22 -5,-1.5 -1,-0.2 -6,-0.2 110,-0.1 -0.423 39.7-135.3 -80.4 162.4 -4.8 75.7 41.5 39 39 A K - 0 0 117 108,-1.1 34,-1.0 1,-0.2 2,-0.3 0.547 62.8 -71.6 -92.6 -18.3 -6.5 74.6 44.7 40 40 A G E -a 73 0A 0 107,-0.3 109,-2.2 32,-0.2 2,-0.3 -0.996 55.6 -66.9 161.9-150.9 -3.3 73.4 46.5 41 41 A F E -ab 74 149A 0 32,-1.8 34,-2.0 -2,-0.3 2,-0.3 -0.843 18.8-156.7-137.5 165.2 -0.6 70.7 46.5 42 42 A V E +ab 75 150A 0 107,-1.6 109,-2.5 -2,-0.3 2,-0.3 -0.988 17.8 172.8-139.8 141.2 0.1 67.1 47.3 43 43 A L E -a 76 0A 4 32,-1.8 34,-2.4 -2,-0.3 2,-0.3 -0.970 32.5-120.6-152.2 136.2 3.5 65.5 48.2 44 44 A G E -a 77 0A 13 -2,-0.3 2,-0.4 107,-0.3 34,-0.2 -0.610 28.2-151.0 -74.3 132.8 4.6 62.0 49.3 45 45 A I E +a 78 0A 0 32,-2.7 34,-0.6 -2,-0.3 41,-0.1 -0.928 22.8 168.3-108.5 133.4 6.3 62.2 52.8 46 46 A S - 0 0 78 -2,-0.4 40,-0.3 2,-0.2 39,-0.1 0.499 54.9-101.2-120.6 -13.7 9.0 59.6 53.6 47 47 A G S S+ 0 0 10 1,-0.4 2,-0.1 38,-0.2 -2,-0.0 0.160 84.1 115.7 108.0 -19.2 10.8 60.7 56.8 48 48 A G S > S- 0 0 33 1,-0.1 4,-1.5 151,-0.0 -1,-0.4 -0.295 78.1-101.1 -82.4 169.6 13.9 62.1 55.0 49 49 A Q H > S+ 0 0 17 1,-0.2 4,-2.0 2,-0.2 5,-0.2 0.898 112.0 50.1 -51.4 -56.5 15.2 65.7 54.8 50 50 A D H > S+ 0 0 23 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.883 112.5 42.5 -56.3 -51.5 14.0 66.8 51.4 51 51 A S H > S+ 0 0 8 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.834 113.7 56.2 -68.8 -28.7 10.3 65.8 51.6 52 52 A T H X S+ 0 0 0 -4,-1.5 4,-1.6 2,-0.2 -2,-0.2 0.868 111.8 40.8 -70.3 -37.3 10.3 67.2 55.1 53 53 A L H X S+ 0 0 3 -4,-2.0 4,-2.1 2,-0.2 -2,-0.2 0.945 116.6 47.5 -74.4 -50.7 11.5 70.6 53.9 54 54 A A H X S+ 0 0 0 -4,-2.6 4,-1.9 1,-0.2 -2,-0.2 0.854 114.8 49.1 -54.7 -42.1 9.3 70.7 50.8 55 55 A G H X S+ 0 0 0 -4,-2.1 4,-1.9 -5,-0.2 -1,-0.2 0.859 109.6 48.5 -69.4 -40.9 6.3 69.7 52.9 56 56 A R H X S+ 0 0 45 -4,-1.6 4,-1.4 1,-0.2 -2,-0.2 0.851 113.1 49.9 -69.5 -32.4 6.8 72.2 55.7 57 57 A L H X S+ 0 0 0 -4,-2.1 4,-1.8 2,-0.2 -2,-0.2 0.870 108.3 52.0 -70.6 -40.8 7.2 74.9 53.0 58 58 A A H X S+ 0 0 0 -4,-1.9 4,-2.5 1,-0.2 5,-0.2 0.939 109.3 51.2 -60.0 -44.8 3.9 73.8 51.2 59 59 A Q H X S+ 0 0 2 -4,-1.9 4,-2.2 1,-0.2 -1,-0.2 0.848 110.0 47.7 -61.1 -40.6 2.0 74.0 54.6 60 60 A L H X S+ 0 0 47 -4,-1.4 4,-1.6 2,-0.2 -1,-0.2 0.859 112.4 50.5 -68.2 -36.6 3.2 77.5 55.3 61 61 A A H X S+ 0 0 0 -4,-1.8 4,-1.7 2,-0.2 -2,-0.2 0.900 112.7 45.9 -66.0 -46.1 2.3 78.6 51.7 62 62 A V H X S+ 0 0 0 -4,-2.5 4,-1.8 2,-0.2 -2,-0.2 0.903 113.0 48.9 -66.0 -41.6 -1.1 77.2 52.0 63 63 A E H X S+ 0 0 62 -4,-2.2 4,-1.3 1,-0.2 -2,-0.2 0.826 112.7 49.9 -68.3 -30.6 -1.7 78.7 55.6 64 64 A S H < S+ 0 0 38 -4,-1.6 4,-0.5 2,-0.2 -1,-0.2 0.813 105.8 55.1 -77.0 -34.4 -0.6 82.1 54.2 65 65 A I H ><>S+ 0 0 7 -4,-1.7 5,-1.5 1,-0.2 3,-1.0 0.936 109.4 47.4 -62.7 -48.4 -2.9 82.0 51.2 66 66 A R H ><5S+ 0 0 92 -4,-1.8 3,-2.0 1,-0.2 -2,-0.2 0.826 103.5 60.2 -62.6 -39.1 -5.9 81.4 53.4 67 67 A E T 3<5S+ 0 0 170 -4,-1.3 -1,-0.2 1,-0.3 -2,-0.2 0.656 102.9 54.0 -65.6 -14.1 -5.0 84.2 55.8 68 68 A E T < 5S- 0 0 109 -3,-1.0 -1,-0.3 -4,-0.5 -2,-0.2 0.313 134.4 -92.5 -96.9 2.1 -5.2 86.6 52.9 69 69 A G T < 5S+ 0 0 73 -3,-2.0 -3,-0.2 1,-0.2 2,-0.2 0.728 83.7 136.7 93.6 26.5 -8.7 85.3 52.1 70 70 A G < - 0 0 30 -5,-1.5 2,-0.5 -6,-0.1 -1,-0.2 -0.537 55.0-120.2-103.5 175.1 -7.7 82.6 49.7 71 71 A D + 0 0 143 -2,-0.2 2,-0.3 -6,-0.0 -6,-0.0 -0.953 51.1 130.6-115.3 117.6 -8.6 78.9 49.1 72 72 A A - 0 0 7 -2,-0.5 2,-0.3 -10,-0.1 -32,-0.2 -0.972 23.9-179.2-165.5 152.0 -5.8 76.4 49.4 73 73 A Q E -a 40 0A 39 -34,-1.0 -32,-1.8 -2,-0.3 2,-0.4 -0.984 15.5-143.5-153.7 157.4 -4.9 73.0 51.0 74 74 A F E -a 41 0A 0 -2,-0.3 23,-1.9 -34,-0.2 2,-0.5 -0.992 7.4-161.0-128.5 128.4 -2.0 70.6 51.2 75 75 A I E -ac 42 97A 0 -34,-2.0 -32,-1.8 -2,-0.4 2,-0.5 -0.967 6.2-160.0-111.2 120.9 -2.3 66.8 51.4 76 76 A A E -ac 43 98A 0 21,-2.6 23,-2.8 -2,-0.5 2,-0.4 -0.912 13.2-159.8 -99.2 126.1 0.8 64.9 52.7 77 77 A V E -ac 44 99A 0 -34,-2.4 -32,-2.7 -2,-0.5 2,-0.4 -0.936 14.3-145.6-116.0 127.7 0.8 61.2 51.6 78 78 A R E -ac 45 100A 54 21,-2.0 23,-2.2 -2,-0.4 -32,-0.1 -0.741 16.8-168.8 -83.6 129.6 2.7 58.3 53.2 79 79 A L + 0 0 7 -34,-0.6 23,-0.1 -2,-0.4 -1,-0.1 -0.431 13.6 174.0-121.0 57.3 3.7 55.9 50.3 80 80 A P - 0 0 28 0, 0.0 23,-2.6 0, 0.0 2,-0.4 -0.145 32.4-143.4 -64.9 156.8 5.0 52.7 51.9 81 81 A H 0 0 50 21,-0.2 21,-0.1 22,-0.2 -2,-0.0 -0.704 360.0 360.0-116.2 73.8 5.9 49.5 50.0 82 82 A G 0 0 66 -2,-0.4 23,-0.0 0, 0.0 22,-0.0 -0.867 360.0 360.0 106.7 360.0 4.6 47.2 52.7 83 ! 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 84 88 A D > 0 0 171 0, 0.0 4,-1.7 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 -47.1 8.8 56.1 62.8 85 89 A D H > + 0 0 59 2,-0.2 4,-2.6 1,-0.2 -38,-0.2 0.816 360.0 55.5 -73.3 -35.3 10.5 59.0 61.0 86 90 A A H > S+ 0 0 10 -40,-0.3 4,-2.5 2,-0.2 -39,-0.2 0.926 111.0 47.8 -63.6 -38.2 7.6 59.6 58.5 87 91 A Q H > S+ 0 0 128 2,-0.2 4,-2.0 1,-0.2 -2,-0.2 0.893 110.7 49.1 -67.0 -44.0 5.4 59.9 61.6 88 92 A L H X S+ 0 0 36 -4,-1.7 4,-1.4 2,-0.2 -1,-0.2 0.913 112.3 51.1 -59.9 -42.8 7.9 62.3 63.3 89 93 A A H X S+ 0 0 0 -4,-2.6 4,-3.4 2,-0.2 3,-0.3 0.910 108.2 48.9 -60.5 -50.6 7.9 64.3 60.0 90 94 A L H X S+ 0 0 17 -4,-2.5 4,-2.5 1,-0.2 -1,-0.2 0.895 108.1 57.0 -59.0 -36.1 4.2 64.6 59.8 91 95 A K H < S+ 0 0 151 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.855 113.6 39.0 -63.6 -33.2 4.3 65.7 63.4 92 96 A F H < S+ 0 0 23 -4,-1.4 -2,-0.2 -3,-0.3 -1,-0.2 0.871 117.6 46.4 -84.4 -41.9 6.6 68.6 62.4 93 97 A I H < S- 0 0 0 -4,-3.4 -2,-0.2 -5,-0.1 -3,-0.2 0.903 82.5-162.1 -68.4 -38.9 5.0 69.5 59.1 94 98 A K < - 0 0 135 -4,-2.5 -3,-0.1 -5,-0.3 -4,-0.1 0.923 17.3-163.6 53.5 56.4 1.5 69.5 60.5 95 99 A P - 0 0 19 0, 0.0 -1,-0.1 0, 0.0 -20,-0.1 -0.263 29.0-115.9 -68.8 155.0 -0.2 69.3 57.1 96 100 A D S S+ 0 0 59 1,-0.2 2,-0.4 -22,-0.1 -21,-0.2 0.908 101.5 17.0 -52.9 -54.1 -3.9 70.1 56.5 97 101 A K E -c 75 0A 79 -23,-1.9 -21,-2.6 2,-0.0 2,-0.5 -0.970 66.8-159.4-124.3 148.0 -4.6 66.5 55.5 98 102 A S E +c 76 0A 68 -2,-0.4 -21,-0.2 -23,-0.2 2,-0.2 -0.962 22.1 168.4-131.0 108.9 -2.5 63.3 56.0 99 103 A W E -c 77 0A 59 -23,-2.8 -21,-2.0 -2,-0.5 2,-0.3 -0.459 17.9-148.1-110.3-174.3 -3.2 60.3 53.7 100 104 A K E -c 78 0A 98 -23,-0.2 2,-0.3 265,-0.2 -21,-0.2 -0.980 11.8-179.8-158.6 143.8 -1.6 57.0 52.8 101 105 A F - 0 0 4 -23,-2.2 2,-0.6 -2,-0.3 261,-0.1 -0.876 19.5-147.2-147.3 114.1 -1.3 54.6 49.8 102 106 A D - 0 0 29 -2,-0.3 3,-0.3 259,-0.2 4,-0.3 -0.738 8.8-166.4 -84.4 122.0 0.6 51.3 50.0 103 107 A I > + 0 0 0 -23,-2.6 4,-2.1 -2,-0.6 5,-0.2 0.434 60.8 98.1 -89.7 0.1 2.2 50.6 46.6 104 108 A K H > S+ 0 0 96 -24,-0.4 4,-2.6 1,-0.2 5,-0.2 0.913 81.8 47.8 -56.3 -47.0 3.1 46.9 47.2 105 109 A S H > S+ 0 0 50 -3,-0.3 4,-1.4 2,-0.2 -1,-0.2 0.857 111.6 50.2 -65.9 -34.6 0.1 45.3 45.4 106 110 A T H > S+ 0 0 5 -4,-0.3 4,-2.0 2,-0.2 -1,-0.2 0.932 113.8 45.9 -68.6 -42.0 0.4 47.5 42.3 107 111 A V H X S+ 0 0 0 -4,-2.1 4,-2.8 2,-0.2 5,-0.2 0.881 111.6 50.0 -67.6 -42.1 4.2 46.6 42.0 108 112 A S H X S+ 0 0 38 -4,-2.6 4,-2.0 2,-0.2 -1,-0.2 0.828 109.1 53.8 -67.5 -29.9 3.7 42.9 42.6 109 113 A A H X S+ 0 0 16 -4,-1.4 4,-2.0 -5,-0.2 -2,-0.2 0.935 111.4 45.7 -69.5 -42.0 1.0 43.0 39.9 110 114 A F H X S+ 0 0 1 -4,-2.0 4,-1.6 1,-0.2 -2,-0.2 0.928 114.3 45.9 -65.8 -48.4 3.5 44.6 37.5 111 115 A S H X S+ 0 0 11 -4,-2.8 4,-2.2 2,-0.2 5,-0.2 0.894 112.1 52.6 -62.4 -39.6 6.4 42.3 38.3 112 116 A D H X S+ 0 0 105 -4,-2.0 4,-2.5 1,-0.2 -1,-0.2 0.915 110.9 44.8 -64.2 -44.1 4.1 39.2 38.1 113 117 A Q H X S+ 0 0 21 -4,-2.0 4,-2.3 2,-0.2 -1,-0.2 0.801 109.4 60.2 -69.2 -27.7 2.8 40.1 34.7 114 118 A Y H X S+ 0 0 0 -4,-1.6 4,-3.4 2,-0.2 5,-0.5 0.982 110.4 37.8 -63.8 -53.3 6.4 40.9 33.6 115 119 A Q H X S+ 0 0 88 -4,-2.2 4,-2.7 1,-0.2 -2,-0.2 0.964 116.2 54.5 -61.3 -50.4 7.7 37.5 34.2 116 120 A Q H < S+ 0 0 135 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.843 117.9 35.8 -52.5 -37.7 4.4 36.0 32.9 117 121 A E H < S+ 0 0 49 -4,-2.3 -2,-0.2 3,-0.1 -1,-0.2 0.936 129.2 27.7 -83.9 -49.8 4.8 38.0 29.6 118 122 A T H < S- 0 0 35 -4,-3.4 -3,-0.2 2,-0.3 -2,-0.2 0.617 93.3-125.5 -91.7 -14.4 8.6 37.9 29.0 119 123 A G S < S+ 0 0 66 -4,-2.7 2,-0.2 -5,-0.5 -4,-0.1 -0.030 82.5 90.9 92.3 -33.9 9.7 34.8 30.7 120 124 A D S S- 0 0 63 -6,-0.3 2,-0.3 -5,-0.0 -2,-0.3 -0.646 74.2-121.5-101.9 158.6 12.2 36.7 32.7 121 125 A Q - 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0 0 19 -2,-0.3 3,-2.3 1,-0.1 5,-1.5 -0.701 44.5-117.5 -81.5 125.7 -1.0 62.4 29.4 414 1170 B K T 3 5S+ 0 0 20 -2,-0.5 -1,-0.1 1,-0.3 3,-0.1 -0.512 101.5 1.1 -62.9 117.1 1.8 64.2 31.2 415 1171 B Y T 3 5S+ 0 0 21 -2,-0.4 -1,-0.3 67,-0.1 -31,-0.1 0.641 124.2 81.2 75.1 13.6 4.4 61.4 32.0 416 1172 B G T X 5S- 0 0 2 -3,-2.3 3,-1.5 -32,-0.1 -1,-0.1 0.361 119.4 -12.8-110.2-107.9 2.1 58.8 30.3 417 1173 B D T 3 5S+ 0 0 73 1,-0.3 -16,-0.4 -3,-0.1 -15,-0.2 0.587 137.0 66.8 -71.1 -6.7 2.5 58.8 26.5 418 1174 B G T 3 - 0 0 17 -184,-2.9 3,-1.2 -2,-0.3 -182,-0.3 -0.802 10.4-177.8-134.5 97.1 10.7 62.0 19.3 424 1180 B P T 3 S+ 0 0 0 0, 0.0 -23,-0.1 0, 0.0 -1,-0.1 0.533 81.0 57.7 -69.2 -8.4 11.0 61.4 15.5 425 1181 B L B > S+k 403 0E 3 -23,-0.5 3,-1.6 -25,-0.3 -21,-0.5 0.301 71.3 137.4-108.0 9.1 7.7 63.2 14.5 426 1182 B T T < + 0 0 19 -3,-1.2 -23,-0.1 1,-0.2 3,-0.1 -0.238 69.7 20.9 -54.9 138.5 8.4 66.6 15.9 427 1183 B G T 3 S+ 0 0 5 -169,-0.3 -166,-0.6 1,-0.3 2,-0.2 0.302 97.6 116.8 84.9 -15.3 7.5 69.6 13.7 428 1184 B L < - 0 0 3 -3,-1.6 -24,-1.1 -168,-0.1 -23,-0.7 -0.637 55.3-141.8 -88.3 147.5 5.0 67.5 11.6 429 1185 B T > - 0 0 1 -2,-0.2 4,-2.6 -25,-0.2 5,-0.1 -0.538 32.5-103.1 -97.7 170.9 1.2 68.1 11.3 430 1186 B K H > S+ 0 0 40 22,-0.2 4,-0.9 1,-0.2 5,-0.1 0.939 123.1 46.5 -60.4 -42.7 -1.3 65.3 11.2 431 1187 B R H > S+ 0 0 45 2,-0.2 4,-1.5 1,-0.2 3,-0.5 0.872 111.4 50.1 -67.3 -41.9 -1.8 65.8 7.4 432 1188 B Q H > S+ 0 0 8 1,-0.2 4,-1.7 2,-0.2 3,-0.4 0.956 107.7 56.0 -66.0 -37.0 1.9 65.9 6.8 433 1189 B G H X S+ 0 0 4 -4,-2.6 4,-1.4 1,-0.2 -1,-0.2 0.743 104.0 53.1 -64.7 -21.9 2.2 62.7 8.8 434 1190 B R H X S+ 0 0 71 -4,-0.9 4,-2.0 -3,-0.5 -1,-0.2 0.836 104.4 57.1 -78.6 -36.1 -0.3 61.0 6.5 435 1191 B T H X S+ 0 0 35 -4,-1.5 4,-2.0 -3,-0.4 -2,-0.2 0.899 105.3 49.5 -60.0 -46.7 1.8 62.0 3.5 436 1192 B L H X S+ 0 0 0 -4,-1.7 4,-2.3 2,-0.2 3,-0.3 0.967 108.4 53.3 -59.2 -51.9 4.9 60.2 4.9 437 1193 B L H <>S+ 0 0 0 -4,-1.4 5,-2.1 1,-0.3 4,-0.3 0.883 108.5 49.6 -52.4 -42.7 2.9 57.1 5.5 438 1194 B K H ><5S+ 0 0 111 -4,-2.0 3,-1.3 1,-0.2 -1,-0.3 0.888 109.4 52.6 -62.5 -42.8 1.7 57.0 1.9 439 1195 B E H 3<5S+ 0 0 97 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.885 105.3 54.6 -60.3 -37.5 5.3 57.5 0.7 440 1196 B L T 3<5S- 0 0 36 -4,-2.3 -1,-0.3 -5,-0.1 -2,-0.2 0.543 120.2-112.0 -74.5 -6.2 6.3 54.5 2.8 441 1197 B G T < 5 + 0 0 56 -3,-1.3 -3,-0.2 -4,-0.3 -2,-0.1 0.858 55.0 172.4 77.4 36.0 3.7 52.5 1.0 442 1198 B A < - 0 0 8 -5,-2.1 -1,-0.2 -6,-0.1 2,-0.1 -0.472 40.9 -99.5 -78.4 145.5 1.4 52.0 4.1 443 1199 B P >> - 0 0 49 0, 0.0 3,-2.0 0, 0.0 4,-0.7 -0.455 32.7-122.9 -62.1 140.0 -2.1 50.4 3.7 444 1200 B E H >> S+ 0 0 114 1,-0.3 4,-0.9 2,-0.2 3,-0.6 0.808 107.2 67.2 -54.5 -35.5 -4.7 53.2 3.6 445 1201 B R H 34 S+ 0 0 164 1,-0.2 -1,-0.3 3,-0.2 -112,-0.0 0.715 97.4 57.3 -60.1 -21.5 -6.6 51.8 6.6 446 1202 B L H <4 S+ 0 0 7 -3,-2.0 -1,-0.2 1,-0.2 -149,-0.2 0.839 115.7 31.7 -80.8 -33.9 -3.6 52.8 8.7 447 1203 B Y H << 0 0 19 -4,-0.7 -2,-0.2 -3,-0.6 -1,-0.2 0.287 360.0 360.0-106.8 15.0 -3.6 56.5 7.7 448 1204 B L < 0 0 135 -4,-0.9 -3,-0.2 -14,-0.0 -2,-0.2 0.499 360.0 360.0-138.9 360.0 -7.4 56.9 7.2 449 ! 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 0.0 450 1226 B I 0 0 84 0, 0.0 5,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 160.3 -11.7 72.5 16.6 451 1227 B S > - 0 0 65 1,-0.1 4,-2.2 2,-0.1 5,-0.1 -0.150 360.0-133.5 -52.3 143.6 -11.1 70.3 13.5 452 1228 B Y H > S+ 0 0 83 1,-0.2 4,-2.3 2,-0.2 -22,-0.2 0.876 111.3 53.2 -67.4 -36.3 -7.7 68.6 13.3 453 1229 B D H > S+ 0 0 77 2,-0.2 4,-1.1 1,-0.2 -1,-0.2 0.750 107.8 52.1 -71.0 -20.8 -7.4 69.7 9.7 454 1230 B E H > S+ 0 0 63 2,-0.2 4,-2.0 1,-0.2 -2,-0.2 0.913 107.9 50.8 -76.7 -44.0 -8.1 73.2 10.9 455 1231 B I H X S+ 0 0 10 -4,-2.2 4,-2.2 1,-0.2 -2,-0.2 0.871 109.1 51.4 -59.7 -39.2 -5.3 72.8 13.5 456 1232 B D H X S+ 0 0 1 -4,-2.3 4,-2.4 2,-0.2 -1,-0.2 0.843 107.4 53.7 -67.7 -34.8 -3.0 71.6 10.6 457 1233 B D H <>S+ 0 0 45 -4,-1.1 5,-3.2 2,-0.2 -2,-0.2 0.887 110.6 45.6 -63.5 -47.0 -3.9 74.8 8.5 458 1234 B Y H ><5S+ 0 0 1 -4,-2.0 3,-1.5 3,-0.2 -2,-0.2 0.925 113.7 49.6 -63.5 -45.1 -3.0 77.1 11.4 459 1235 B L H 3<5S+ 0 0 0 -4,-2.2 -2,-0.2 1,-0.3 -1,-0.2 0.898 108.1 53.2 -63.8 -38.3 0.2 75.2 12.0 460 1236 B E T 3<5S- 0 0 15 -4,-2.4 -1,-0.3 -5,-0.1 -2,-0.2 0.395 120.6-108.9 -77.9 5.2 1.1 75.4 8.3 461 1237 B G T < 5 + 0 0 34 -3,-1.5 -3,-0.2 1,-0.2 -2,-0.1 0.744 66.3 151.7 76.1 23.4 0.7 79.1 8.4 462 1238 B K < - 0 0 91 -5,-3.2 2,-0.4 -6,-0.2 -1,-0.2 -0.468 57.5 -91.0 -83.1 159.1 -2.5 79.2 6.3 463 1239 B E + 0 0 188 -2,-0.1 2,-0.2 1,-0.0 -1,-0.1 -0.607 57.1 174.3 -72.8 123.1 -5.1 81.9 6.8 464 1240 B V - 0 0 42 -2,-0.4 2,-0.3 -6,-0.1 -10,-0.0 -0.668 35.3 -83.4-123.2 176.9 -7.6 80.8 9.4 465 1241 B S > - 0 0 58 -2,-0.2 4,-2.9 1,-0.1 3,-0.3 -0.694 30.0-128.6 -86.1 138.1 -10.6 82.2 11.3 466 1242 B A H > S+ 0 0 73 -2,-0.3 4,-2.8 1,-0.2 5,-0.4 0.817 110.6 65.3 -52.1 -32.6 -9.9 84.4 14.4 467 1243 B K H > S+ 0 0 138 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.985 111.4 34.0 -51.5 -58.8 -12.5 82.1 16.1 468 1244 B V H > S+ 0 0 1 -3,-0.3 4,-2.7 1,-0.2 -2,-0.2 0.915 116.5 55.4 -63.0 -47.5 -10.0 79.2 15.6 469 1245 B S H X S+ 0 0 19 -4,-2.9 4,-2.7 1,-0.2 -1,-0.2 0.901 111.1 43.6 -52.4 -51.2 -6.8 81.3 16.0 470 1246 B E H X S+ 0 0 148 -4,-2.8 4,-1.4 2,-0.2 -1,-0.2 0.869 112.4 51.8 -65.9 -41.7 -7.8 82.7 19.4 471 1247 B A H X S+ 0 0 34 -4,-1.8 4,-1.9 -5,-0.4 -2,-0.2 0.928 113.7 45.9 -62.1 -44.3 -9.0 79.3 20.7 472 1248 B L H X S+ 0 0 6 -4,-2.7 4,-2.0 1,-0.2 -2,-0.2 0.935 108.7 53.3 -65.6 -47.3 -5.7 77.7 19.7 473 1249 B E H X S+ 0 0 51 -4,-2.7 4,-1.6 -5,-0.2 -1,-0.2 0.806 112.2 46.0 -62.0 -24.5 -3.5 80.4 21.1 474 1250 B K H X S+ 0 0 114 -4,-1.4 4,-2.0 2,-0.2 -1,-0.2 0.859 109.1 52.2 -84.4 -40.5 -5.2 80.1 24.5 475 1251 B R H X S+ 0 0 88 -4,-1.9 4,-0.9 -5,-0.2 -2,-0.2 0.887 110.3 53.3 -62.7 -35.6 -5.1 76.3 24.7 476 1252 B Y H >X S+ 0 0 8 -4,-2.0 3,-1.2 2,-0.2 4,-0.7 0.959 109.3 43.5 -62.9 -57.6 -1.4 76.5 23.9 477 1253 B S H >< S+ 0 0 84 -4,-1.6 3,-0.9 1,-0.3 4,-0.3 0.895 112.3 58.0 -60.8 -29.7 -0.4 79.0 26.7 478 1254 B M H 3< S+ 0 0 107 -4,-2.0 -1,-0.3 1,-0.2 -2,-0.2 0.709 111.5 39.4 -69.8 -27.0 -2.7 76.8 28.9 479 1255 B T H X< S+ 0 0 3 -3,-1.2 3,-2.1 -4,-0.9 4,-0.4 0.315 76.9 111.8-106.8 9.3 -0.7 73.7 28.2 480 1256 B E G X< + 0 0 27 -3,-0.9 3,-2.5 -4,-0.7 4,-0.3 0.863 69.3 68.8 -51.3 -36.7 2.9 75.1 28.2 481 1257 B H G > S+ 0 0 57 1,-0.3 3,-0.7 -4,-0.3 -1,-0.3 0.768 95.8 53.5 -54.8 -28.9 3.6 73.1 31.4 482 1258 B K G < S+ 0 0 54 -3,-2.1 -1,-0.3 1,-0.2 -2,-0.2 0.566 106.8 54.3 -81.2 -11.4 3.5 69.8 29.5 483 1259 B R G < S+ 0 0 35 -3,-2.5 2,-0.3 -4,-0.4 -1,-0.2 0.282 108.4 52.9-103.3 5.5 6.0 71.2 27.0 484 1260 B Q S < S- 0 0 69 -3,-0.7 3,-0.1 -4,-0.3 -248,-0.1 -0.808 89.6 -93.6-134.3 174.1 8.6 72.1 29.6 485 1261 B V S S- 0 0 58 -2,-0.3 -2,-0.1 1,-0.2 -248,-0.1 -0.432 73.6 -60.7 -81.7 157.7 10.5 70.5 32.5 486 1262 B P - 0 0 19 0, 0.0 -312,-0.2 0, 0.0 -1,-0.2 -0.163 68.1-104.4 -45.2 139.4 8.9 71.0 36.0 487 1263 B A B +e 174 0B 1 -314,-1.6 -312,-2.7 -3,-0.1 2,-0.3 -0.379 39.6 177.8 -72.8 143.3 8.6 74.7 37.0 488 1264 B S > - 0 0 7 -314,-0.2 3,-1.9 -2,-0.1 -1,-0.0 -0.829 48.1 -98.9-133.3 168.6 10.9 76.5 39.4 489 1265 B M T 3 S+ 0 0 37 -314,-0.4 -2,-0.0 1,-0.3 -315,-0.0 0.609 119.8 67.3 -64.2 -13.1 11.0 80.2 40.6 490 1266 B F T 3 S+ 0 0 65 2,-0.0 -1,-0.3 0, 0.0 2,-0.3 0.442 87.7 82.5 -89.5 -0.2 13.9 80.6 38.1 491 1267 B D < - 0 0 46 -3,-1.9 -4,-0.0 1,-0.1 0, 0.0 -0.735 53.3-170.3-103.4 157.0 11.6 80.0 35.0 492 1268 B D > + 0 0 116 -2,-0.3 3,-2.0 2,-0.1 -1,-0.1 0.628 63.2 89.5-120.0 -19.6 9.4 82.7 33.3 493 1269 B W T 3 S+ 0 0 78 1,-0.3 -13,-0.1 -13,-0.0 -1,-0.1 0.713 86.8 57.2 -54.5 -24.9 7.2 80.9 30.8 494 1270 B W T 3 0 0 16 -14,-0.1 -1,-0.3 -13,-0.0 -2,-0.1 0.585 360.0 360.0 -85.1 -8.9 4.4 80.3 33.4 495 1271 B K < 0 0 131 -3,-2.0 -3,-0.1 -460,-0.0 -463,-0.0 -0.253 360.0 360.0 -79.3 360.0 4.0 84.0 34.2