==== 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 NUCLEOTIDE BINDING PROTEIN 05-FEB-09 3G5J . COMPND 2 MOLECULE: PUTATIVE ATP/GTP BINDING PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: CLOSTRIDIUM DIFFICILE; . AUTHOR B.NOCEK,L.BIGELOW,G.COBB,A.JOACHIMIAK,MIDWEST CENTER FOR STR . 259 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14067.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 200 77.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 31 12.0 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 . 13 5.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 29 11.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 115 44.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 1.5 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 1 1 2 0 0 2 0 0 6 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 5 1 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 . 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 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 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 2 A S 0 0 93 0, 0.0 114,-2.5 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 -21.6 45.9 41.5 14.9 2 3 A V E -a 115 0A 68 112,-0.2 2,-0.3 87,-0.0 114,-0.2 -0.931 360.0-170.7-124.6 145.2 48.3 39.7 12.5 3 4 A I E -a 116 0A 10 112,-2.7 114,-3.0 -2,-0.3 2,-0.2 -0.999 21.0-122.0-142.8 145.6 52.1 39.4 13.0 4 5 A K >> - 0 0 106 -2,-0.3 4,-2.7 112,-0.2 3,-0.8 -0.619 27.2-119.5 -82.4 146.8 55.1 38.2 10.9 5 6 A I H 3> S+ 0 0 4 112,-0.4 4,-2.4 -2,-0.2 5,-0.2 0.875 110.7 59.9 -53.5 -41.9 57.2 35.3 12.1 6 7 A E H 34 S+ 0 0 92 1,-0.2 4,-0.3 2,-0.2 -1,-0.2 0.901 114.6 36.7 -55.8 -40.3 60.4 37.4 12.3 7 8 A K H X4 S+ 0 0 127 -3,-0.8 3,-1.4 2,-0.2 4,-0.3 0.898 112.2 57.5 -78.8 -40.2 58.7 39.7 14.8 8 9 A A H >< S+ 0 0 0 -4,-2.7 3,-1.7 1,-0.3 -2,-0.2 0.900 101.4 56.2 -59.0 -41.9 56.7 37.1 16.7 9 10 A L T 3< S+ 0 0 68 -4,-2.4 -1,-0.3 1,-0.3 -2,-0.2 0.707 106.6 52.9 -64.3 -17.1 59.9 35.1 17.6 10 11 A K T < S+ 0 0 184 -3,-1.4 -1,-0.3 -4,-0.3 -2,-0.2 0.361 80.6 118.1 -98.3 4.0 61.3 38.2 19.2 11 12 A L X - 0 0 28 -3,-1.7 3,-0.5 -4,-0.3 2,-0.3 -0.436 70.0-112.9 -74.2 143.5 58.3 39.0 21.5 12 13 A D T 3 S- 0 0 119 1,-0.2 74,-0.2 -2,-0.1 75,-0.1 -0.619 94.1 -0.0 -73.5 135.3 59.0 39.0 25.2 13 14 A K T 3 S+ 0 0 104 -2,-0.3 74,-1.9 1,-0.2 73,-1.6 0.943 93.9 170.8 55.3 58.8 57.3 36.2 27.2 14 15 A V E < -b 87 0A 35 -3,-0.5 2,-0.4 72,-0.2 74,-0.2 -0.783 23.5-165.8-106.5 144.5 55.6 34.8 24.0 15 16 A I E -b 88 0A 8 72,-2.1 74,-2.9 -2,-0.3 2,-0.5 -0.999 11.3-146.8-127.0 134.2 53.7 31.5 23.6 16 17 A F E -b 89 0A 11 -2,-0.4 18,-2.4 72,-0.2 2,-0.5 -0.849 10.4-160.8 -97.2 132.8 52.9 30.0 20.3 17 18 A V E -bc 90 34A 2 72,-3.0 74,-2.5 -2,-0.5 2,-0.6 -0.947 4.4-154.2-118.2 118.4 49.6 28.0 20.0 18 19 A D E -bc 91 35A 0 16,-2.9 18,-2.4 -2,-0.5 74,-0.2 -0.778 9.8-173.9 -93.1 115.8 49.2 25.6 17.1 19 20 A V + 0 0 4 72,-2.7 19,-2.2 -2,-0.6 20,-0.5 0.370 50.6 108.9 -95.3 10.0 45.5 25.0 16.2 20 21 A R S S- 0 0 18 71,-0.4 16,-0.1 17,-0.2 21,-0.1 -0.102 82.7 -73.2 -72.1 173.7 46.3 22.2 13.6 21 22 A T > - 0 0 9 16,-0.1 4,-2.6 1,-0.1 3,-0.2 -0.232 40.6-109.7 -65.5 164.1 45.5 18.7 14.3 22 23 A E H > S+ 0 0 107 17,-0.3 4,-2.7 1,-0.2 5,-0.2 0.853 120.2 58.6 -59.7 -37.3 47.5 16.5 16.8 23 24 A G H > S+ 0 0 27 1,-0.2 4,-1.2 2,-0.2 -1,-0.2 0.879 109.5 40.1 -58.7 -46.0 48.8 14.7 13.8 24 25 A E H > S+ 0 0 43 -3,-0.2 4,-1.7 2,-0.2 -2,-0.2 0.891 115.2 51.3 -73.3 -43.4 50.3 17.8 12.2 25 26 A Y H < S+ 0 0 49 -4,-2.6 -2,-0.2 1,-0.2 -3,-0.2 0.931 109.8 51.1 -61.5 -43.9 51.6 19.2 15.5 26 27 A E H < S+ 0 0 137 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.848 105.7 55.6 -63.7 -34.8 53.3 15.9 16.3 27 28 A E H < S- 0 0 150 -4,-1.2 2,-0.3 1,-0.3 -1,-0.2 0.927 133.2 -29.9 -65.2 -49.6 55.0 15.7 12.9 28 29 A D < + 0 0 81 -4,-1.7 -1,-0.3 -3,-0.0 2,-0.3 -0.859 68.6 173.4-163.9 140.6 56.7 19.2 13.3 29 30 A H - 0 0 66 -2,-0.3 3,-0.1 -3,-0.2 -4,-0.0 -0.939 43.8 -74.5-146.4 169.6 55.7 22.4 15.2 30 31 A I > - 0 0 0 -2,-0.3 3,-2.7 1,-0.1 -12,-0.1 -0.336 69.9 -83.7 -66.9 142.1 57.1 25.8 16.1 31 32 A L T 3 S+ 0 0 119 1,-0.3 -15,-0.2 -2,-0.0 -1,-0.1 -0.255 112.8 0.5 -57.0 129.2 59.7 25.5 18.9 32 33 A N T 3 S+ 0 0 130 1,-0.2 -1,-0.3 -3,-0.1 -16,-0.2 0.420 95.7 150.2 70.5 5.9 58.0 25.5 22.3 33 34 A A < - 0 0 3 -3,-2.7 2,-0.3 -18,-0.1 -1,-0.2 -0.279 37.8-141.7 -65.5 147.4 54.4 25.6 20.8 34 35 A I E -c 17 0A 55 -18,-2.4 -16,-2.9 2,-0.0 2,-0.6 -0.820 17.4-120.9-102.2 154.4 51.5 24.1 22.5 35 36 A N E +c 18 0A 36 -2,-0.3 -16,-0.2 -18,-0.2 -13,-0.1 -0.860 33.0 167.2-103.6 120.1 48.7 22.3 20.6 36 37 A X - 0 0 12 -18,-2.4 2,-0.2 -2,-0.6 -19,-0.0 -0.760 29.0-156.5-118.1 78.7 45.1 23.5 20.9 37 38 A P - 0 0 38 0, 0.0 -17,-0.2 0, 0.0 -16,-0.1 -0.378 19.7-163.2 -71.1 131.5 43.6 21.6 18.0 38 39 A L S S+ 0 0 8 -19,-2.2 2,-0.3 -2,-0.2 -18,-0.1 0.902 80.1 28.3 -68.8 -41.2 40.4 22.9 16.5 39 40 A F S S- 0 0 15 -20,-0.5 -17,-0.3 28,-0.0 -1,-0.2 -0.929 78.5-120.7-123.4 144.8 39.7 19.5 14.8 40 41 A K > - 0 0 115 -2,-0.3 4,-2.6 -19,-0.1 5,-0.2 -0.383 47.0 -98.7 -66.8 160.3 40.5 15.9 15.5 41 42 A N H > S+ 0 0 76 1,-0.2 4,-1.6 2,-0.2 -1,-0.1 0.910 125.2 43.4 -51.2 -48.0 42.5 14.2 12.7 42 43 A N H > S+ 0 0 111 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.885 110.9 54.0 -67.4 -36.6 39.4 12.7 11.2 43 44 A E H > S+ 0 0 17 1,-0.2 4,-2.5 2,-0.2 3,-0.2 0.946 107.0 53.3 -61.7 -46.8 37.3 15.8 11.5 44 45 A H H X S+ 0 0 46 -4,-2.6 4,-2.4 1,-0.2 -1,-0.2 0.884 107.3 50.4 -53.7 -46.8 40.0 17.8 9.6 45 46 A N H X S+ 0 0 108 -4,-1.6 4,-1.9 -5,-0.2 -1,-0.2 0.870 111.0 48.1 -64.2 -38.0 39.9 15.4 6.7 46 47 A E H X S+ 0 0 82 -4,-1.8 4,-2.6 -3,-0.2 -2,-0.2 0.917 110.7 50.8 -70.8 -40.4 36.1 15.5 6.4 47 48 A V H X S+ 0 0 11 -4,-2.5 4,-2.5 1,-0.2 -2,-0.2 0.909 110.8 50.7 -60.4 -42.2 36.1 19.4 6.6 48 49 A G H X S+ 0 0 33 -4,-2.4 4,-2.1 2,-0.2 -1,-0.2 0.884 111.3 46.8 -61.2 -44.3 38.8 19.4 3.8 49 50 A T H X S+ 0 0 85 -4,-1.9 4,-2.6 2,-0.2 5,-0.3 0.913 111.8 50.3 -66.4 -42.8 36.8 17.1 1.5 50 51 A I H X>S+ 0 0 27 -4,-2.6 4,-2.8 2,-0.2 5,-0.9 0.925 109.5 52.0 -59.8 -45.8 33.7 19.0 2.0 51 52 A Y H X5S+ 0 0 142 -4,-2.5 4,-1.0 3,-0.2 -2,-0.2 0.919 113.4 44.1 -57.4 -45.4 35.5 22.2 1.2 52 53 A K H <5S+ 0 0 180 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.921 123.8 33.0 -63.4 -47.9 36.9 20.7 -2.0 53 54 A X H <5S+ 0 0 140 -4,-2.6 -2,-0.2 -5,-0.1 -3,-0.2 0.745 136.6 18.1 -83.9 -29.6 33.6 19.1 -3.2 54 55 A Q H <5S- 0 0 103 -4,-2.8 4,-0.3 -5,-0.3 -3,-0.2 0.562 102.8-121.3-118.1 -22.8 31.0 21.6 -1.9 55 56 A G X< - 0 0 27 -4,-1.0 4,-1.6 -5,-0.9 -1,-0.2 -0.293 40.7 -51.6 96.3 176.9 32.8 24.8 -1.2 56 57 A K H > S+ 0 0 89 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.837 123.6 60.1 -58.5 -42.0 33.5 27.1 1.8 57 58 A H H > S+ 0 0 76 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.931 111.7 39.1 -58.3 -47.2 29.9 27.5 2.9 58 59 A E H > S+ 0 0 85 -4,-0.3 4,-1.9 2,-0.2 -1,-0.2 0.815 113.3 56.1 -72.3 -28.8 29.4 23.9 3.6 59 60 A A H X S+ 0 0 8 -4,-1.6 4,-2.3 2,-0.2 -2,-0.2 0.904 106.7 50.7 -72.0 -38.2 32.9 23.4 5.0 60 61 A I H X S+ 0 0 15 -4,-2.9 4,-2.3 2,-0.2 -1,-0.2 0.891 107.5 53.6 -62.6 -44.9 32.1 26.2 7.6 61 62 A Q H X S+ 0 0 42 -4,-1.6 4,-1.9 -5,-0.2 -1,-0.2 0.937 109.4 47.5 -56.2 -46.5 28.9 24.5 8.5 62 63 A K H X S+ 0 0 52 -4,-1.9 4,-1.9 1,-0.2 -2,-0.2 0.898 108.0 56.8 -64.7 -39.7 30.8 21.2 9.2 63 64 A G H X S+ 0 0 10 -4,-2.3 4,-1.9 2,-0.2 5,-0.3 0.923 105.5 49.8 -50.6 -51.0 33.4 23.2 11.2 64 65 A F H X S+ 0 0 13 -4,-2.3 4,-2.1 1,-0.2 5,-0.3 0.893 106.3 57.4 -54.9 -40.1 30.6 24.5 13.5 65 66 A D H < S+ 0 0 66 -4,-1.9 4,-0.2 1,-0.2 -1,-0.2 0.909 116.6 34.6 -58.1 -40.3 29.4 20.9 13.9 66 67 A Y H < S+ 0 0 52 -4,-1.9 -1,-0.2 -3,-0.1 -2,-0.2 0.676 129.2 27.5 -90.7 -19.5 32.8 19.9 15.2 67 68 A V H >X S+ 0 0 14 -4,-1.9 3,-1.0 -5,-0.2 4,-0.8 0.572 87.0 90.7-121.1 -13.9 34.1 23.0 17.1 68 69 A S G >< S+ 0 0 24 -4,-2.1 3,-0.6 -5,-0.3 4,-0.3 0.882 95.8 45.5 -62.2 -33.8 31.1 25.0 18.5 69 70 A Y G 34 S+ 0 0 145 -5,-0.3 4,-0.3 -4,-0.2 -1,-0.3 0.682 108.8 56.9 -76.9 -22.2 31.2 23.0 21.8 70 71 A K G <> S+ 0 0 29 -3,-1.0 4,-1.6 1,-0.2 -1,-0.2 0.565 85.2 87.3 -80.1 -11.1 35.0 23.2 22.1 71 72 A L H S+ 0 0 59 -4,-0.3 4,-2.4 -3,-0.3 -1,-0.2 0.926 110.1 51.2 -60.2 -41.7 34.5 27.8 25.7 73 74 A D H > S+ 0 0 92 -4,-0.3 4,-2.5 2,-0.2 -2,-0.2 0.880 107.3 53.2 -62.6 -35.4 37.5 25.6 26.5 74 75 A I H X S+ 0 0 12 -4,-1.6 4,-2.4 2,-0.2 -1,-0.2 0.939 110.0 48.0 -64.4 -45.4 39.6 27.5 23.9 75 76 A Y H X S+ 0 0 12 -4,-2.3 4,-2.7 1,-0.2 -2,-0.2 0.928 112.6 48.3 -56.4 -47.3 38.6 30.7 25.7 76 77 A L H X S+ 0 0 56 -4,-2.4 4,-1.8 2,-0.2 -2,-0.2 0.865 111.4 49.5 -66.7 -35.9 39.5 29.3 29.1 77 78 A Q H X S+ 0 0 69 -4,-2.5 4,-2.0 1,-0.2 -1,-0.2 0.937 113.8 46.5 -69.7 -41.2 42.9 27.9 27.9 78 79 A A H X S+ 0 0 2 -4,-2.4 4,-2.2 2,-0.2 -2,-0.2 0.885 108.9 54.2 -65.6 -42.2 43.7 31.3 26.3 79 80 A A H X S+ 0 0 18 -4,-2.7 4,-0.7 1,-0.2 -1,-0.2 0.931 110.6 48.0 -59.7 -41.7 42.6 33.3 29.4 80 81 A E H >< S+ 0 0 114 -4,-1.8 3,-0.9 1,-0.2 4,-0.4 0.891 109.1 51.5 -62.9 -44.2 45.0 31.1 31.5 81 82 A L H >X S+ 0 0 23 -4,-2.0 4,-2.1 1,-0.3 3,-1.6 0.857 102.4 63.2 -61.6 -36.7 47.9 31.6 29.1 82 83 A A H 3< S+ 0 0 48 -4,-2.2 -1,-0.3 1,-0.3 -2,-0.2 0.746 95.0 58.1 -63.1 -24.7 47.3 35.3 29.3 83 84 A L T << S+ 0 0 134 -3,-0.9 -1,-0.3 -4,-0.7 -2,-0.2 0.698 118.8 31.7 -69.2 -21.7 48.1 35.2 33.1 84 85 A N T <4 S+ 0 0 92 -3,-1.6 2,-0.4 -4,-0.4 -2,-0.2 0.569 116.8 49.2-115.6 -21.2 51.6 33.8 32.2 85 86 A Y < - 0 0 84 -4,-2.1 -71,-0.2 1,-0.1 -1,-0.1 -0.959 57.0-152.3-126.9 143.0 52.6 35.2 28.8 86 87 A D S S+ 0 0 86 -73,-1.6 2,-0.4 -2,-0.4 -72,-0.2 0.742 87.8 38.1 -79.8 -25.5 52.5 38.7 27.6 87 88 A N E -b 14 0A 23 -74,-1.9 -72,-2.1 -75,-0.1 2,-0.5 -0.993 62.1-168.6-136.7 130.9 52.1 37.6 24.0 88 89 A I E -b 15 0A 3 24,-0.4 26,-2.2 -2,-0.4 2,-0.6 -0.982 7.1-168.1-122.5 118.3 50.0 34.8 22.5 89 90 A V E -bd 16 114A 0 -74,-2.9 -72,-3.0 -2,-0.5 2,-0.4 -0.946 5.4-160.3-115.6 119.1 50.6 33.9 18.8 90 91 A I E +bd 17 115A 4 24,-3.1 26,-2.5 -2,-0.6 2,-0.3 -0.806 14.9 178.6-101.3 135.6 48.0 31.6 17.2 91 92 A Y E -b 18 0A 0 -74,-2.5 -72,-2.7 -2,-0.4 -71,-0.4 -0.973 15.8-179.6-141.1 148.2 48.9 29.7 14.0 92 93 A C - 0 0 3 -2,-0.3 28,-3.0 24,-0.3 29,-0.2 -0.494 55.3 -71.7-124.7-163.2 47.5 27.2 11.6 93 94 A A S S- 0 0 41 26,-0.3 28,-2.4 -2,-0.2 29,-0.2 0.912 122.2 -1.5 -66.1 -44.8 49.0 25.6 8.4 94 95 A R S S- 0 0 173 25,-0.2 24,-0.3 26,-0.2 25,-0.2 0.286 104.7 -96.4-132.2 6.0 48.9 28.6 6.1 95 96 A G S S+ 0 0 19 23,-0.3 23,-0.3 22,-0.1 24,-0.1 0.836 81.0 121.5 79.6 35.4 47.3 31.4 8.1 96 97 A G S > S- 0 0 42 22,-0.1 4,-2.3 21,-0.1 3,-0.2 0.214 75.5 -35.6-101.3-132.2 43.7 31.2 7.0 97 98 A X H > S+ 0 0 63 1,-0.2 4,-2.4 2,-0.2 5,-0.3 0.700 121.0 63.3 -75.5 -29.2 40.4 30.6 8.7 98 99 A R H > S+ 0 0 74 1,-0.2 4,-1.3 2,-0.2 -1,-0.2 0.980 118.7 26.6 -61.2 -53.4 41.3 28.2 11.4 99 100 A S H > S+ 0 0 0 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.852 120.2 58.9 -77.4 -32.4 43.7 30.6 13.2 100 101 A G H X S+ 0 0 11 -4,-2.3 4,-2.4 1,-0.2 5,-0.2 0.914 106.3 46.0 -66.1 -42.9 41.8 33.7 12.0 101 102 A S H X S+ 0 0 17 -4,-2.4 4,-2.2 2,-0.2 -1,-0.2 0.916 114.8 47.7 -64.6 -44.9 38.5 32.8 13.5 102 103 A I H X S+ 0 0 6 -4,-1.3 4,-2.6 -5,-0.3 5,-0.2 0.908 113.8 47.1 -63.3 -40.2 40.1 31.9 16.9 103 104 A V H X S+ 0 0 1 -4,-2.4 4,-2.8 1,-0.2 -2,-0.2 0.909 113.0 48.3 -69.2 -44.2 42.1 35.0 17.0 104 105 A N H X S+ 0 0 33 -4,-2.4 4,-1.6 -5,-0.2 -1,-0.2 0.888 115.1 44.8 -65.0 -41.2 39.2 37.3 16.1 105 106 A L H X S+ 0 0 18 -4,-2.2 4,-1.2 -5,-0.2 3,-0.2 0.969 114.3 47.7 -66.0 -49.7 36.9 35.7 18.6 106 107 A L H ><>S+ 0 0 4 -4,-2.6 5,-2.0 1,-0.3 3,-0.6 0.902 111.2 52.2 -58.5 -41.7 39.4 35.7 21.4 107 108 A S H ><5S+ 0 0 60 -4,-2.8 3,-1.3 1,-0.2 -1,-0.3 0.847 105.0 54.0 -65.3 -34.8 40.3 39.2 20.7 108 109 A S H 3<5S+ 0 0 22 -4,-1.6 -1,-0.2 1,-0.3 -2,-0.2 0.756 105.5 56.2 -71.5 -22.8 36.6 40.4 20.9 109 110 A L T <<5S- 0 0 13 -4,-1.2 -1,-0.3 -3,-0.6 -2,-0.2 0.382 126.3-101.5 -89.0 3.6 36.5 38.7 24.3 110 111 A G T < 5S+ 0 0 52 -3,-1.3 2,-0.7 1,-0.3 -3,-0.2 0.527 79.1 133.9 94.2 7.3 39.4 40.9 25.5 111 112 A V < - 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0 0 5 16,-0.1 4,-2.5 1,-0.1 5,-0.2 -0.278 41.6-110.8 -66.6 160.6 16.7 39.8 23.2 153 23 B E H > S+ 0 0 114 17,-0.4 4,-3.1 1,-0.2 5,-0.2 0.876 119.3 57.3 -57.8 -38.5 13.3 39.6 21.5 154 24 B G H > S+ 0 0 43 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.923 109.7 43.0 -60.4 -44.1 11.8 41.6 24.4 155 25 B E H > S+ 0 0 50 2,-0.2 4,-1.9 1,-0.2 -2,-0.2 0.937 114.6 50.6 -63.7 -46.5 14.2 44.5 23.8 156 26 B Y H < S+ 0 0 50 -4,-2.5 -2,-0.2 1,-0.2 -3,-0.2 0.945 109.8 50.6 -59.4 -49.0 13.8 44.3 20.0 157 27 B E H < S+ 0 0 142 -4,-3.1 -1,-0.2 1,-0.2 -2,-0.2 0.841 107.1 54.2 -58.4 -38.3 9.9 44.3 20.4 158 28 B E H < S- 0 0 152 -4,-1.6 2,-0.3 1,-0.3 -1,-0.2 0.924 132.8 -26.6 -65.4 -44.5 10.0 47.4 22.6 159 29 B D < + 0 0 90 -4,-1.9 2,-0.3 -3,-0.1 -1,-0.3 -0.894 68.3 169.4-166.6 142.1 12.1 49.5 20.1 160 30 B H - 0 0 70 -2,-0.3 2,-0.1 -3,-0.2 3,-0.1 -0.955 44.1 -74.5-152.1 165.0 14.6 48.7 17.3 161 31 B I > - 0 0 0 -2,-0.3 3,-3.1 1,-0.1 -14,-0.1 -0.391 68.0 -85.2 -60.0 133.8 16.4 50.4 14.4 162 32 B L T 3 S+ 0 0 111 1,-0.3 -1,-0.1 -2,-0.1 -15,-0.1 -0.258 113.6 1.5 -44.7 117.8 14.1 51.1 11.4 163 33 B N T 3 S+ 0 0 128 1,-0.2 -1,-0.3 -3,-0.1 -16,-0.2 0.359 95.9 147.1 80.1 6.1 13.9 47.9 9.3 164 34 B A < - 0 0 3 -3,-3.1 2,-0.3 -18,-0.1 -1,-0.2 -0.328 36.8-146.9 -73.0 148.9 16.2 45.9 11.6 165 35 B I E -g 148 0B 56 -18,-2.3 -16,-3.2 2,-0.0 2,-0.6 -0.742 18.1-115.8-108.2 166.8 15.6 42.2 12.0 166 36 B N E +g 149 0B 35 -2,-0.3 -16,-0.2 -18,-0.2 -13,-0.1 -0.898 33.7 166.3-114.4 126.7 16.2 40.3 15.2 167 37 B X - 0 0 11 -18,-2.6 2,-0.2 -2,-0.6 -15,-0.0 -0.752 29.1-154.8-130.1 76.8 18.7 37.5 15.7 168 38 B P - 0 0 32 0, 0.0 -17,-0.2 0, 0.0 -16,-0.1 -0.362 16.6-163.1 -59.9 125.3 18.8 37.2 19.6 169 39 B L S S+ 0 0 6 -19,-2.0 2,-0.4 1,-0.2 -18,-0.1 0.867 80.4 35.0 -66.1 -38.9 22.0 35.8 21.1 170 40 B F S S- 0 0 14 -20,-0.4 -17,-0.4 -3,-0.0 -1,-0.2 -0.939 74.6-130.4-122.3 142.7 20.1 35.1 24.3 171 41 B K > - 0 0 113 -2,-0.4 4,-2.8 -19,-0.1 5,-0.2 -0.346 48.1 -97.6 -68.6 163.8 16.6 34.1 25.3 172 42 B N H > S+ 0 0 102 1,-0.2 4,-2.0 2,-0.2 5,-0.1 0.930 124.1 43.9 -55.7 -47.8 15.1 36.4 28.0 173 43 B N H > S+ 0 0 97 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.925 114.3 50.3 -63.7 -43.6 16.0 34.1 31.0 174 44 B E H > S+ 0 0 11 1,-0.3 4,-2.5 2,-0.2 5,-0.2 0.913 110.1 51.4 -61.5 -43.3 19.5 33.5 29.6 175 45 B H H X S+ 0 0 39 -4,-2.8 4,-2.3 2,-0.2 -1,-0.3 0.879 108.8 50.3 -59.9 -43.2 20.0 37.2 29.1 176 46 B N H X S+ 0 0 84 -4,-2.0 4,-2.3 -5,-0.2 -2,-0.2 0.942 112.1 48.2 -62.9 -44.5 18.9 37.9 32.8 177 47 B E H X S+ 0 0 71 -4,-2.4 4,-2.5 2,-0.2 -2,-0.2 0.900 111.6 47.0 -60.2 -50.4 21.4 35.3 34.1 178 48 B V H X S+ 0 0 13 -4,-2.5 4,-2.3 2,-0.2 -1,-0.2 0.922 113.1 51.9 -61.6 -39.8 24.4 36.5 32.0 179 49 B G H X S+ 0 0 31 -4,-2.3 4,-2.1 -5,-0.2 -2,-0.2 0.903 110.3 47.0 -61.9 -45.1 23.6 40.1 33.1 180 50 B T H X S+ 0 0 79 -4,-2.3 4,-2.5 2,-0.2 5,-0.3 0.914 110.9 51.4 -65.0 -42.1 23.4 39.1 36.8 181 51 B I H X>S+ 0 0 27 -4,-2.5 4,-2.7 1,-0.2 5,-1.1 0.905 110.2 50.4 -61.7 -41.3 26.7 37.2 36.6 182 52 B Y H X5S+ 0 0 147 -4,-2.3 4,-0.8 3,-0.2 -1,-0.2 0.914 113.1 45.6 -61.3 -44.5 28.4 40.2 34.9 183 53 B K H <5S+ 0 0 189 -4,-2.1 -2,-0.2 -5,-0.2 -1,-0.2 0.897 125.1 29.1 -68.3 -42.9 27.2 42.6 37.6 184 54 B X H <5S+ 0 0 159 -4,-2.5 -2,-0.2 -5,-0.1 -3,-0.2 0.766 137.4 17.0 -93.9 -27.6 28.0 40.4 40.6 185 55 B Q H <5S- 0 0 130 -4,-2.7 4,-0.3 -5,-0.3 -3,-0.2 0.473 101.9-124.2-127.1 -15.4 31.0 38.3 39.5 186 56 B G X< - 0 0 25 -5,-1.1 4,-2.0 -4,-0.8 -1,-0.2 -0.216 36.9 -45.8 104.2-177.9 32.5 40.1 36.4 187 57 B K H > S+ 0 0 94 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.861 121.3 57.1 -65.2 -42.5 33.4 39.7 32.8 188 58 B H H > S+ 0 0 89 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.921 113.0 39.4 -63.1 -42.9 35.3 36.4 33.0 189 59 B E H > S+ 0 0 88 -4,-0.3 4,-2.2 2,-0.2 -1,-0.2 0.861 113.9 55.4 -74.1 -35.5 32.3 34.4 34.5 190 60 B A H X S+ 0 0 8 -4,-2.0 4,-3.0 2,-0.2 -2,-0.2 0.927 105.9 51.2 -63.4 -40.5 29.8 36.2 32.2 191 61 B I H X S+ 0 0 16 -4,-2.7 4,-2.6 2,-0.2 -1,-0.2 0.906 109.0 52.1 -57.9 -44.7 31.7 35.2 29.1 192 62 B Q H X S+ 0 0 28 -4,-1.4 4,-1.6 -5,-0.2 -2,-0.2 0.937 111.5 44.9 -62.0 -45.0 31.7 31.6 30.3 193 63 B K H X S+ 0 0 48 -4,-2.2 4,-1.5 2,-0.2 -2,-0.2 0.902 110.1 56.8 -64.1 -41.6 27.9 31.7 30.8 194 64 B G H >X S+ 0 0 9 -4,-3.0 4,-2.5 1,-0.2 3,-0.6 0.940 105.1 51.2 -51.8 -48.5 27.5 33.4 27.4 195 65 B F H 3X S+ 0 0 13 -4,-2.6 4,-2.1 1,-0.2 5,-0.3 0.879 104.9 57.1 -56.2 -43.3 29.3 30.5 25.8 196 66 B D H 3< S+ 0 0 62 -4,-1.6 4,-0.3 1,-0.2 -1,-0.2 0.859 118.0 32.4 -58.2 -35.3 26.9 28.1 27.5 197 67 B Y H << S+ 0 0 45 -4,-1.5 -2,-0.2 -3,-0.6 -1,-0.2 0.707 124.9 39.4 -99.3 -20.1 23.9 29.8 25.9 198 68 B V H >X S+ 0 0 17 -4,-2.5 3,-2.2 -5,-0.2 4,-0.9 0.716 93.8 77.7 -98.7 -26.0 25.2 31.0 22.5 199 69 B S G >< S+ 0 0 16 -4,-2.1 3,-1.1 -5,-0.3 4,-0.4 0.898 94.2 52.8 -56.2 -43.3 27.4 28.1 21.4 200 70 B Y G 34 S+ 0 0 133 -4,-0.3 -1,-0.3 -5,-0.3 4,-0.2 0.576 112.5 46.3 -65.5 -11.5 24.4 26.0 20.4 201 71 B K G <> S+ 0 0 23 -3,-2.2 4,-1.9 2,-0.1 -1,-0.2 0.519 84.6 91.7-108.5 -9.0 23.1 29.0 18.2 202 72 B L H S+ 0 0 62 -4,-0.4 4,-2.6 1,-0.2 -1,-0.2 0.928 112.0 48.6 -58.8 -45.9 25.9 27.7 13.3 204 74 B D H > S+ 0 0 91 2,-0.2 4,-2.6 -4,-0.2 -1,-0.2 0.851 109.7 52.2 -61.2 -37.0 22.3 29.1 12.8 205 75 B I H X S+ 0 0 7 -4,-1.9 4,-2.6 2,-0.2 -2,-0.2 0.947 110.8 47.6 -64.7 -45.8 23.6 32.6 13.2 206 76 B Y H X S+ 0 0 10 -4,-2.5 4,-2.9 2,-0.2 5,-0.2 0.937 112.4 49.9 -57.1 -46.4 26.2 31.9 10.5 207 77 B L H X S+ 0 0 55 -4,-2.6 4,-1.8 1,-0.2 -2,-0.2 0.928 111.5 47.6 -65.7 -40.0 23.5 30.4 8.2 208 78 B Q H X S+ 0 0 66 -4,-2.6 4,-2.4 1,-0.2 -1,-0.2 0.923 114.4 46.7 -64.3 -45.2 21.2 33.4 8.7 209 79 B A H X S+ 0 0 2 -4,-2.6 4,-2.1 2,-0.2 -2,-0.2 0.894 110.0 52.5 -65.3 -39.9 24.0 35.8 8.0 210 80 B A H X S+ 0 0 15 -4,-2.9 4,-0.5 2,-0.2 -1,-0.2 0.880 111.2 48.5 -62.6 -38.0 25.3 33.9 4.9 211 81 B E H >< S+ 0 0 115 -4,-1.8 3,-1.2 -5,-0.2 4,-0.5 0.920 109.1 51.4 -69.4 -45.0 21.7 34.0 3.5 212 82 B L H >X S+ 0 0 26 -4,-2.4 4,-2.4 1,-0.2 3,-1.9 0.899 101.1 63.9 -56.3 -36.8 21.4 37.7 4.2 213 83 B A H 3< S+ 0 0 46 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.692 91.0 66.3 -65.1 -21.5 24.7 38.1 2.3 214 84 B L T << S+ 0 0 126 -3,-1.2 -1,-0.3 -4,-0.5 -2,-0.2 0.772 118.7 20.6 -65.1 -28.3 22.9 36.9 -0.9 215 85 B N T <4 S+ 0 0 104 -3,-1.9 2,-0.4 -4,-0.5 -2,-0.2 0.593 121.0 58.0-117.3 -23.9 20.7 39.9 -1.0 216 86 B Y < - 0 0 83 -4,-2.4 -71,-0.2 -5,-0.1 -1,-0.2 -0.940 54.2-161.6-118.1 139.8 22.5 42.5 1.1 217 87 B D S S+ 0 0 89 -73,-1.4 2,-0.4 -2,-0.4 -72,-0.2 0.699 83.7 37.9 -83.7 -27.9 26.1 43.9 0.6 218 88 B N E -f 145 0B 19 -74,-1.9 -72,-2.1 -75,-0.2 2,-0.6 -0.996 63.7-166.5-136.8 124.5 26.5 45.3 4.1 219 89 B I E -fh 146 244B 3 24,-2.0 26,-2.2 -2,-0.4 2,-0.6 -0.969 7.7-163.5-115.9 110.8 25.2 43.7 7.3 220 90 B V E -fh 147 245B 0 -74,-2.9 -72,-2.7 -2,-0.6 2,-0.4 -0.898 7.0-163.0-101.2 113.6 25.3 46.0 10.4 221 91 B I E +fh 148 246B 5 24,-3.0 26,-2.6 -2,-0.6 2,-0.4 -0.802 12.3 179.5 -99.1 136.4 25.0 44.1 13.7 222 92 B Y E -f 149 0B 0 -74,-2.9 -72,-2.6 -2,-0.4 -71,-0.4 -0.968 17.3-176.7-140.1 149.7 24.1 45.9 16.9 223 93 B C - 0 0 4 -2,-0.4 28,-2.6 24,-0.3 29,-0.2 -0.565 55.7 -71.9-122.3-165.6 23.5 45.3 20.6 224 94 B A S S- 0 0 36 26,-0.2 28,-2.0 -2,-0.2 29,-0.2 0.918 121.7 -2.3 -61.5 -46.9 22.4 47.8 23.3 225 95 B R S S- 0 0 158 25,-0.2 25,-0.2 26,-0.2 24,-0.2 0.338 106.5 -91.7-134.4 9.7 25.6 49.9 23.7 226 96 B G S S+ 0 0 20 23,-0.3 23,-0.3 22,-0.1 24,-0.1 0.862 79.5 131.8 83.4 42.0 28.1 48.3 21.3 227 97 B G S > S- 0 0 40 22,-0.1 4,-2.4 21,-0.1 3,-0.2 0.107 72.1 -48.1-100.1-145.8 29.8 45.9 23.6 228 98 B X H > S+ 0 0 60 2,-0.2 4,-2.4 1,-0.2 5,-0.4 0.671 120.8 66.8 -70.2 -25.1 30.8 42.2 23.4 229 99 B R H > S+ 0 0 78 2,-0.2 4,-1.3 1,-0.2 -1,-0.2 0.987 117.0 26.0 -63.1 -51.8 27.4 40.8 22.2 230 100 B S H > S+ 0 0 0 -3,-0.2 4,-2.7 2,-0.2 5,-0.2 0.907 121.7 58.3 -76.0 -36.2 27.7 42.5 18.8 231 101 B G H X S+ 0 0 10 -4,-2.4 4,-2.3 1,-0.2 -3,-0.2 0.898 107.3 44.4 -64.0 -41.0 31.5 42.6 18.9 232 102 B S H X S+ 0 0 20 -4,-2.4 4,-2.3 2,-0.2 -1,-0.2 0.910 114.6 48.7 -70.9 -42.7 32.0 38.9 19.2 233 103 B I H X S+ 0 0 8 -4,-1.3 4,-2.5 -5,-0.4 5,-0.3 0.924 113.2 48.5 -64.0 -42.6 29.4 38.0 16.5 234 104 B V H X S+ 0 0 2 -4,-2.7 4,-2.9 1,-0.2 5,-0.2 0.938 111.6 48.1 -61.5 -50.0 30.9 40.5 14.1 235 105 B N H X S+ 0 0 32 -4,-2.3 4,-1.7 -5,-0.2 -1,-0.2 0.894 114.5 46.6 -58.4 -43.3 34.5 39.3 14.6 236 106 B L H X S+ 0 0 15 -4,-2.3 4,-0.9 2,-0.2 -2,-0.2 0.942 115.6 43.4 -66.1 -48.7 33.5 35.7 14.2 237 107 B L H ><>S+ 0 0 4 -4,-2.5 5,-2.3 1,-0.2 3,-0.6 0.893 112.0 54.7 -68.2 -37.0 31.4 36.3 11.0 238 108 B S H ><5S+ 0 0 48 -4,-2.9 3,-1.8 -5,-0.3 -1,-0.2 0.913 105.0 53.2 -60.8 -37.7 34.0 38.6 9.5 239 109 B S H 3<5S+ 0 0 19 -4,-1.7 -1,-0.3 1,-0.3 -2,-0.2 0.715 105.9 55.2 -72.2 -21.7 36.6 36.0 9.9 240 110 B L T <<5S- 0 0 16 -4,-0.9 -1,-0.3 -3,-0.6 -2,-0.2 0.196 127.0 -97.4 -94.3 10.3 34.4 33.5 8.0 241 111 B G T < 5S+ 0 0 50 -3,-1.8 2,-0.4 1,-0.3 -3,-0.2 0.509 76.6 139.0 95.0 5.6 34.1 35.9 5.0 242 112 B V < - 0 0 11 -5,-2.3 2,-2.1 -8,-0.1 -1,-0.3 -0.703 58.8-122.0 -90.6 136.3 30.8 37.7 5.8 243 113 B N + 0 0 79 -2,-0.4 -24,-2.0 -26,-0.0 2,-0.3 -0.495 56.0 153.3 -80.3 81.4 30.7 41.4 5.1 244 114 B V E - h 0 219B 2 -2,-2.1 2,-0.3 -10,-0.2 -24,-0.2 -0.786 27.9-169.3-114.7 151.9 29.7 42.6 8.6 245 115 B Y E - h 0 220B 57 -26,-2.2 -24,-3.0 -2,-0.3 2,-0.5 -0.984 21.9-129.2-134.1 143.3 30.2 45.7 10.7 246 116 B Q E -eh 133 221B 32 -114,-2.5 -112,-2.5 -2,-0.3 2,-0.5 -0.826 29.9-120.9 -83.5 132.2 29.5 46.4 14.4 247 117 B L E > -e 134 0B 0 -26,-2.6 3,-2.0 -2,-0.5 -24,-0.3 -0.630 30.6-120.7 -75.1 119.7 27.5 49.5 15.0 248 118 B E T 3 S+ 0 0 91 -114,-2.9 -112,-0.3 -2,-0.5 -22,-0.1 -0.404 95.4 4.5 -65.0 122.5 29.6 51.8 17.1 249 119 B G T >> S- 0 0 30 -23,-0.3 4,-1.2 -24,-0.2 3,-0.5 0.501 103.3-132.0 81.4 1.2 27.7 52.5 20.4 250 120 B G H X> - 0 0 0 -3,-2.0 4,-1.1 -25,-0.2 3,-1.0 0.017 65.2 -18.1 52.2-152.7 24.9 50.1 19.4 251 121 B Y H 3> S+ 0 0 18 -28,-2.6 4,-2.5 1,-0.3 -1,-0.2 0.820 133.5 63.3 -54.2 -37.4 21.3 51.1 19.8 252 122 B K H <> S+ 0 0 71 -28,-2.0 4,-2.3 -3,-0.5 -1,-0.3 0.895 99.7 54.0 -56.9 -39.2 22.1 54.0 22.1 253 123 B A H