==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=13-NOV-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 04-MAR-03 1OOY . COMPND 2 MOLECULE: SUCCINYL-COA:3-KETOACID-COENZYME A TRANSFERASE, . SOURCE 2 ORGANISM_SCIENTIFIC: SUS SCROFA; . AUTHOR A.M.COROS,L.SWENSON,W.T.WOLODKO,M.E.FRASER . 931 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 33571.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 631 67.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 141 15.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 113 12.1 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 . 15 1.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 8 0.9 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 . 69 7.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 111 11.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 126 13.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 10 1.1 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 6 3 5 0 2 4 2 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 3 3 9 12 0 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 PARALLEL BRIDGES PER LADDER . 13 7 6 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 0 ANTIPARALLEL BRIDGES PER LADDER . 3 2 0 2 1 0 2 0 2 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 T 0 0 52 0, 0.0 2,-0.5 0, 0.0 228,-0.2 0.000 360.0 360.0 360.0 131.2 16.7 -8.2 58.1 2 2 A K E -a 229 0A 127 226,-2.6 228,-2.5 225,-0.1 2,-0.3 -0.874 360.0-142.7 -98.6 126.2 15.6 -6.0 60.9 3 3 A F E -a 230 0A 72 -2,-0.5 2,-0.3 226,-0.2 228,-0.2 -0.713 15.7-167.6 -91.8 142.6 12.2 -4.4 60.3 4 4 A Y E -a 231 0A 32 226,-3.1 228,-0.7 -2,-0.3 3,-0.1 -0.903 22.0-163.5-124.2 152.0 11.4 -0.9 61.5 5 5 A T S S+ 0 0 136 -2,-0.3 2,-0.5 1,-0.2 -1,-0.1 0.584 84.4 55.3-106.7 -13.0 8.2 1.0 61.7 6 6 A D > - 0 0 69 1,-0.1 4,-1.2 227,-0.0 3,-0.3 -0.974 69.4-152.7-124.3 120.6 9.9 4.4 62.0 7 7 A A H > S+ 0 0 19 -2,-0.5 4,-0.9 1,-0.2 3,-0.2 0.852 96.6 59.3 -58.3 -37.9 12.3 5.5 59.3 8 8 A V H >> S+ 0 0 30 1,-0.2 4,-1.4 2,-0.2 3,-1.2 0.935 101.2 53.1 -59.4 -42.8 14.1 7.7 61.8 9 9 A E H 34 S+ 0 0 77 -3,-0.3 4,-0.2 1,-0.3 -1,-0.2 0.849 106.1 56.0 -59.0 -31.7 14.9 4.7 64.0 10 10 A A H 3< S+ 0 0 0 -4,-1.2 -1,-0.3 -3,-0.2 -2,-0.2 0.699 120.5 26.6 -75.3 -19.0 16.4 3.0 61.0 11 11 A V H X< S+ 0 0 0 -3,-1.2 3,-1.8 -4,-0.9 -2,-0.2 0.334 85.8 106.7-124.7 8.5 18.9 5.8 60.3 12 12 A K T 3< S+ 0 0 128 -4,-1.4 -3,-0.1 1,-0.3 -2,-0.1 0.726 78.6 55.8 -65.1 -20.3 19.4 7.5 63.7 13 13 A D T 3 + 0 0 78 -4,-0.2 -1,-0.3 -3,-0.1 -2,-0.1 0.269 68.9 126.8 -97.8 15.0 22.9 6.0 64.0 14 14 A I < - 0 0 10 -3,-1.8 3,-0.1 1,-0.1 -3,-0.0 -0.559 61.9-124.1 -69.7 127.4 24.4 7.3 60.8 15 15 A P > - 0 0 67 0, 0.0 3,-2.0 0, 0.0 -1,-0.1 -0.338 23.3 -99.4 -71.5 149.1 27.6 9.1 61.9 16 16 A N T 3 S+ 0 0 108 1,-0.3 29,-0.2 27,-0.1 3,-0.1 -0.462 115.1 26.5 -59.2 144.4 28.3 12.6 61.1 17 17 A G T 3 S+ 0 0 36 27,-3.1 -1,-0.3 1,-0.2 28,-0.1 0.504 91.7 154.3 79.2 4.2 30.7 12.5 58.1 18 18 A A < - 0 0 2 -3,-2.0 29,-2.9 26,-0.4 2,-0.7 -0.224 48.4-123.6 -66.3 155.8 29.4 9.2 57.0 19 19 A T E -b 47 0A 38 27,-0.2 148,-2.7 -3,-0.1 149,-1.9 -0.883 35.7-172.2 -98.0 121.9 29.6 8.1 53.5 20 20 A V E -bc 48 168A 1 27,-3.1 29,-2.8 -2,-0.7 2,-0.5 -0.974 18.6-145.0-122.7 123.8 26.1 7.3 52.5 21 21 A L E -bc 49 169A 0 147,-3.1 149,-3.3 -2,-0.5 2,-0.5 -0.765 19.0-165.3 -85.2 131.8 25.0 5.6 49.3 22 22 A V E -bc 50 170A 3 27,-2.9 29,-0.6 -2,-0.5 149,-0.2 -0.981 10.4-138.7-124.6 117.7 21.7 7.0 48.1 23 23 A G + 0 0 1 147,-2.6 167,-0.1 -2,-0.5 2,-0.1 -0.140 48.4 84.8 -69.8 168.8 19.7 5.2 45.4 24 24 A G - 0 0 2 165,-0.3 2,-0.5 6,-0.2 27,-0.4 -0.155 55.4-128.5 120.6 151.1 17.9 6.8 42.6 25 25 A F B > S-J 28 0B 8 3,-2.4 3,-2.7 26,-0.1 2,-0.2 -0.981 85.3 -38.1-127.7 119.1 18.3 8.1 39.1 26 26 A G T 3 S- 0 0 3 -2,-0.5 28,-0.2 1,-0.3 26,-0.2 -0.478 125.0 -33.6 59.4-131.1 16.8 11.5 38.8 27 27 A L T > S+ 0 0 20 -2,-0.2 2,-0.7 27,-0.1 3,-0.6 0.213 116.5 110.8-103.8 17.4 13.7 11.3 41.0 28 28 A C B < S-J 25 0B 1 -3,-2.7 -3,-2.4 1,-0.2 278,-0.1 -0.799 89.4 -2.2 -98.4 115.5 13.2 7.7 40.1 29 29 A G T 3 S+ 0 0 3 -2,-0.7 143,-0.5 1,-0.2 -1,-0.2 0.865 88.5 156.8 77.8 32.1 13.8 5.2 42.8 30 30 A I < - 0 0 10 -3,-0.6 2,-2.3 -6,-0.1 -1,-0.2 -0.761 50.5-122.5 -93.3 144.8 14.9 7.7 45.4 31 31 A P > + 0 0 0 0, 0.0 4,-2.7 0, 0.0 5,-0.2 -0.479 42.6 167.7 -82.7 74.4 14.6 6.9 49.1 32 32 A E H > S+ 0 0 24 -2,-2.3 4,-2.0 1,-0.2 5,-0.1 0.835 71.8 47.6 -64.3 -32.1 12.4 9.8 49.8 33 33 A N H > S+ 0 0 22 -3,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.907 112.3 48.0 -75.9 -37.2 11.3 8.6 53.3 34 34 A L H > S+ 0 0 0 2,-0.2 4,-2.0 1,-0.2 -2,-0.2 0.898 112.7 49.6 -68.8 -37.6 14.9 7.8 54.4 35 35 A I H X S+ 0 0 0 -4,-2.7 4,-1.6 1,-0.2 -1,-0.2 0.937 109.3 51.3 -66.0 -41.4 16.0 11.1 53.1 36 36 A G H X S+ 0 0 17 -4,-2.0 4,-1.0 1,-0.2 -1,-0.2 0.861 108.2 54.4 -61.4 -35.9 13.2 12.8 55.0 37 37 A A H X S+ 0 0 2 -4,-2.0 4,-1.9 1,-0.2 3,-0.4 0.887 103.6 53.6 -65.9 -36.5 14.4 10.8 58.1 38 38 A L H X S+ 0 0 0 -4,-2.0 4,-2.0 1,-0.3 5,-0.5 0.828 100.6 61.1 -67.7 -29.2 17.9 12.2 57.7 39 39 A L H < S+ 0 0 67 -4,-1.6 -1,-0.3 1,-0.2 -2,-0.2 0.885 108.6 44.9 -61.1 -34.3 16.3 15.7 57.7 40 40 A K H < S+ 0 0 162 -4,-1.0 -2,-0.2 -3,-0.4 -1,-0.2 0.837 111.3 50.0 -77.0 -33.9 15.1 14.8 61.2 41 41 A T H < S- 0 0 46 -4,-1.9 -2,-0.2 1,-0.1 -1,-0.2 0.818 93.0-145.9 -77.6 -25.3 18.3 13.3 62.5 42 42 A G < + 0 0 21 -4,-2.0 -3,-0.1 -5,-0.2 -4,-0.1 0.660 29.2 174.2 73.2 12.3 20.3 16.2 61.4 43 43 A V - 0 0 7 -5,-0.5 2,-0.2 1,-0.1 3,-0.2 -0.287 17.1-154.7 -55.0 142.1 23.3 14.1 60.6 44 44 A K + 0 0 98 1,-0.2 -27,-3.1 -3,-0.1 -26,-0.4 -0.676 52.2 28.9-121.7 173.2 25.9 16.3 59.0 45 45 A E S S+ 0 0 116 22,-0.4 24,-0.2 -2,-0.2 -1,-0.2 0.741 73.0 177.7 52.4 37.1 28.9 16.4 56.7 46 46 A L E - d 0 69A 2 22,-2.6 24,-2.7 -3,-0.2 25,-2.2 -0.304 33.0-142.1 -71.5 147.8 27.8 13.5 54.6 47 47 A T E -bd 19 71A 26 -29,-2.9 -27,-3.1 23,-0.2 2,-0.7 -0.953 28.0-159.7-103.3 106.3 29.6 12.2 51.6 48 48 A A E -bd 20 72A 2 23,-3.1 25,-2.5 -2,-0.8 2,-0.9 -0.847 12.7-160.3 -94.2 118.3 26.6 11.3 49.6 49 49 A V E +bd 21 73A 0 -29,-2.8 -27,-2.9 -2,-0.7 2,-0.4 -0.865 37.0 148.1 -95.9 105.8 27.3 8.8 46.8 50 50 A S E -b 22 0A 7 23,-2.1 25,-0.2 -2,-0.9 -27,-0.1 -0.991 52.6-135.6-146.1 128.8 24.3 9.5 44.7 51 51 A N S S+ 0 0 0 -29,-0.6 24,-2.3 -27,-0.4 25,-1.9 0.898 90.0 8.6 -54.4 -43.2 24.1 9.3 40.9 52 52 A N S S- 0 0 10 -28,-0.3 25,-0.2 22,-0.2 21,-0.1 -0.629 74.5-114.1-129.1-177.1 22.2 12.6 40.7 53 53 A A - 0 0 0 1,-0.4 8,-0.2 23,-0.4 5,-0.2 0.046 42.4-131.5-111.5 25.3 21.3 15.5 43.0 54 54 A G - 0 0 4 -28,-0.2 -1,-0.4 6,-0.2 2,-0.3 -0.355 49.5 -66.5 58.5-140.1 17.5 15.0 43.0 55 55 A V B > -K 58 0C 24 3,-2.1 3,-1.7 -3,-0.1 6,-0.2 -0.798 64.3 -69.9-133.2 178.2 16.1 18.5 42.3 56 56 A D T 3 S+ 0 0 48 23,-0.6 9,-0.2 1,-0.3 8,-0.1 0.832 127.3 13.0 -37.8 -55.6 16.1 21.6 44.3 57 57 A N T 3 S+ 0 0 92 7,-0.1 2,-0.3 8,-0.1 -1,-0.3 -0.344 119.7 65.3-124.1 54.7 13.8 20.6 47.1 58 58 A F B X S-K 55 0C 7 -3,-1.7 -3,-2.1 -5,-0.2 3,-1.6 -0.955 93.0 -2.8-169.2 148.1 13.5 16.9 46.6 59 59 A G T >> S- 0 0 1 -2,-0.3 3,-2.1 1,-0.3 4,-0.6 -0.394 133.9 -9.0 65.1-145.0 15.6 13.8 46.8 60 60 A L H >> S+ 0 0 4 1,-0.3 4,-1.4 2,-0.2 3,-0.9 0.793 127.7 76.1 -55.3 -29.5 19.2 14.6 47.6 61 61 A G H <> S+ 0 0 0 -3,-1.6 4,-2.8 1,-0.2 -1,-0.3 0.827 86.9 60.5 -53.5 -31.2 18.3 18.3 47.1 62 62 A L H <> S+ 0 0 40 -3,-2.1 4,-2.0 1,-0.2 -1,-0.2 0.913 105.8 46.1 -62.8 -38.3 16.6 18.2 50.5 63 63 A L H <<>S+ 0 0 2 -3,-0.9 5,-2.9 -4,-0.6 6,-0.8 0.710 111.8 51.3 -77.1 -22.8 19.9 17.3 52.2 64 64 A L H ><5S+ 0 0 0 -4,-1.4 3,-1.8 3,-0.2 -2,-0.2 0.891 108.5 52.1 -76.1 -43.3 21.7 20.0 50.2 65 65 A Q H 3<5S+ 0 0 63 -4,-2.8 -2,-0.2 1,-0.3 -3,-0.2 0.927 112.1 45.3 -57.4 -40.6 19.1 22.5 51.3 66 66 A S T 3<5S- 0 0 46 -4,-2.0 -1,-0.3 -5,-0.2 -2,-0.2 0.390 111.9-124.3 -83.7 3.1 19.6 21.5 54.9 67 67 A K T < 5S+ 0 0 114 -3,-1.8 -22,-0.4 1,-0.1 -3,-0.2 0.828 70.5 132.0 59.1 38.7 23.4 21.6 54.4 68 68 A Q < + 0 0 4 -5,-2.9 -22,-2.6 -24,-0.2 2,-0.5 0.502 48.7 82.6 -99.0 0.6 23.8 18.1 55.6 69 69 A I E +d 46 0A 7 -6,-0.8 -22,-0.2 -24,-0.2 3,-0.1 -0.894 45.1 176.3-111.0 127.0 26.0 17.1 52.6 70 70 A K E S+ 0 0 96 -24,-2.7 23,-2.7 -2,-0.5 2,-0.4 0.843 75.2 9.1 -89.4 -43.9 29.7 17.8 52.6 71 71 A R E -de 47 93A 49 -25,-2.2 -23,-3.1 21,-0.2 2,-0.4 -0.999 59.9-151.6-142.9 144.5 30.4 16.1 49.3 72 72 A M E -de 48 94A 0 21,-2.3 23,-3.3 -2,-0.4 2,-0.6 -0.898 2.5-164.1-109.0 138.3 28.5 14.5 46.5 73 73 A I E +de 49 95A 16 -25,-2.5 -23,-2.1 -2,-0.4 2,-0.3 -0.974 41.8 137.0-121.4 109.2 30.0 11.7 44.5 74 74 A S E - e 0 96A 0 21,-1.8 23,-2.4 -2,-0.6 -23,-0.2 -0.904 57.3-135.4-149.4 167.8 27.7 11.7 41.5 75 75 A S S S+ 0 0 0 -24,-2.3 293,-3.0 1,-0.3 2,-0.3 0.656 91.3 14.6-105.3 -23.5 27.6 11.4 37.7 76 76 A Y + 0 0 53 -25,-1.9 -23,-0.4 291,-0.2 -1,-0.3 -0.916 54.4 174.1-155.5 129.5 25.2 14.2 36.7 77 77 A V + 0 0 2 288,-3.2 3,-0.3 -2,-0.3 289,-0.1 0.055 31.9 132.0-130.5 26.1 24.0 17.0 38.9 78 78 A G + 0 0 4 287,-0.4 -25,-0.3 1,-0.2 -2,-0.1 -0.111 51.1 47.0 -72.2 175.2 22.0 19.3 36.8 79 79 A E S S+ 0 0 58 1,-0.1 -23,-0.6 -24,-0.1 2,-0.3 0.827 83.4 106.7 63.4 35.7 18.5 20.7 37.6 80 80 A N > - 0 0 1 -3,-0.3 4,-2.0 -25,-0.2 5,-0.1 -0.790 43.6-174.7-147.5 102.6 19.4 21.8 41.1 81 81 A A H > S+ 0 0 52 -2,-0.3 4,-2.4 1,-0.2 5,-0.1 0.833 87.7 50.4 -64.1 -39.9 19.8 25.5 41.8 82 82 A E H > S+ 0 0 24 2,-0.2 4,-2.8 1,-0.2 5,-0.3 0.879 108.5 54.3 -69.7 -34.1 20.8 25.1 45.4 83 83 A F H > S+ 0 0 1 2,-0.2 4,-2.6 1,-0.2 5,-0.3 0.956 109.6 47.8 -61.6 -44.7 23.4 22.6 44.4 84 84 A E H X S+ 0 0 77 -4,-2.0 4,-3.1 1,-0.2 5,-0.3 0.954 111.8 50.0 -59.7 -49.1 24.8 25.1 41.9 85 85 A R H X S+ 0 0 96 -4,-2.4 4,-2.2 1,-0.2 6,-0.2 0.939 113.5 44.0 -57.9 -47.1 24.9 27.8 44.5 86 86 A Q H X>S+ 0 0 3 -4,-2.8 5,-3.3 2,-0.2 6,-1.0 0.903 114.7 49.1 -67.0 -38.7 26.7 25.8 47.1 87 87 A Y H ><5S+ 0 0 1 -4,-2.6 3,-1.2 -5,-0.3 48,-0.5 0.968 114.8 43.6 -65.5 -52.5 29.2 24.4 44.6 88 88 A L H 3<5S+ 0 0 47 -4,-3.1 -1,-0.2 -5,-0.3 -2,-0.2 0.842 113.8 52.3 -61.4 -31.1 30.0 27.8 43.2 89 89 A A H 3<5S- 0 0 29 -4,-2.2 -1,-0.3 -5,-0.3 -2,-0.2 0.610 115.0-114.5 -80.7 -8.8 30.1 29.3 46.6 90 90 A G T <<5S+ 0 0 4 -3,-1.2 -3,-0.2 -4,-0.8 47,-0.1 0.734 85.8 115.6 84.2 21.1 32.5 26.7 47.9 91 91 A E S - 0 0 0 0, 0.0 4,-3.1 0, 0.0 5,-0.2 -0.245 35.3-122.7 -54.8 145.0 31.2 8.5 35.2 99 99 A Q H > S+ 0 0 4 269,-2.7 4,-2.3 1,-0.2 270,-0.2 0.876 110.4 45.9 -61.0 -40.5 27.8 6.8 35.8 100 100 A G H > S+ 0 0 0 268,-0.3 4,-2.7 1,-0.2 -1,-0.2 0.878 113.8 50.7 -70.2 -33.3 28.9 3.4 34.7 101 101 A T H > S+ 0 0 0 2,-0.2 4,-3.2 1,-0.2 5,-0.3 0.909 107.9 51.8 -70.7 -42.9 32.0 3.7 36.8 102 102 A L H X S+ 0 0 0 -4,-3.1 4,-2.3 2,-0.2 -2,-0.2 0.945 112.5 46.6 -55.7 -47.3 30.0 4.8 39.8 103 103 A A H X S+ 0 0 0 -4,-2.3 4,-2.6 -5,-0.2 -2,-0.2 0.922 115.3 44.6 -63.2 -43.2 27.8 1.7 39.4 104 104 A E H X S+ 0 0 3 -4,-2.7 4,-3.2 2,-0.2 -2,-0.2 0.887 111.8 52.8 -72.3 -34.7 30.7 -0.6 38.9 105 105 A R H X S+ 0 0 21 -4,-3.2 59,-2.4 2,-0.2 4,-1.8 0.888 111.9 46.3 -65.4 -39.5 32.7 0.9 41.8 106 106 A I H X S+ 0 0 0 -4,-2.3 4,-0.8 -5,-0.3 -2,-0.2 0.936 112.7 49.2 -68.9 -43.1 29.7 0.5 44.1 107 107 A R H >X S+ 0 0 4 -4,-2.6 3,-1.6 1,-0.2 4,-1.0 0.946 110.4 51.0 -60.8 -41.7 29.2 -3.1 42.9 108 108 A A H ><>S+ 0 0 1 -4,-3.2 5,-1.9 1,-0.3 3,-0.8 0.892 102.7 62.2 -58.2 -40.7 32.9 -3.8 43.5 109 109 A G H 3<5S+ 0 0 3 -4,-1.8 -1,-0.3 55,-0.3 -2,-0.2 0.690 111.7 35.9 -59.8 -22.0 32.4 -2.3 46.9 110 110 A G H <<5S+ 0 0 2 -3,-1.6 -1,-0.3 -4,-0.8 695,-0.2 0.505 113.4 60.5-108.0 -2.1 30.0 -5.1 47.8 111 111 A A T <<5S- 0 0 1 -4,-1.0 694,-0.2 -3,-0.8 -2,-0.2 0.239 110.1-106.8-109.1 9.2 31.7 -7.8 45.8 112 112 A G T 5S+ 0 0 22 -4,-0.5 472,-0.5 1,-0.2 -3,-0.2 0.688 79.1 129.7 72.7 19.1 35.1 -8.0 47.4 113 113 A V < - 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0 0 8 -3,-0.7 2,-2.3 -5,-0.1 -1,-0.2 -0.730 50.2-120.8 -94.7 144.0 24.0 -27.9 31.5 496 31 B P > + 0 0 0 0, 0.0 4,-2.7 0, 0.0 5,-0.3 -0.494 40.8 172.1 -81.5 79.4 23.3 -27.2 27.8 497 32 B E H > S+ 0 0 18 -2,-2.3 4,-2.2 1,-0.2 5,-0.1 0.875 72.9 44.6 -57.4 -49.5 22.6 -30.9 27.0 498 33 B N H > S+ 0 0 19 -3,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.868 113.3 49.3 -68.0 -38.3 21.4 -30.3 23.4 499 34 B L H > S+ 0 0 0 2,-0.2 4,-2.0 1,-0.2 -2,-0.2 0.899 112.2 48.9 -68.5 -36.1 24.1 -27.9 22.5 500 35 B I H X S+ 0 0 1 -4,-2.7 4,-1.7 1,-0.2 -2,-0.2 0.919 110.4 51.8 -65.7 -40.6 26.8 -30.2 23.8 501 36 B G H X S+ 0 0 15 -4,-2.2 4,-1.1 -5,-0.3 -1,-0.2 0.888 107.6 52.7 -62.3 -35.4 25.1 -33.0 21.9 502 37 B A H X S+ 0 0 2 -4,-2.0 4,-1.9 1,-0.2 3,-0.4 0.873 104.8 54.6 -68.0 -35.8 25.3 -30.8 18.8 503 38 B L H X S+ 0 0 0 -4,-2.0 4,-2.0 1,-0.3 5,-0.4 0.845 102.7 58.0 -67.4 -32.6 29.1 -30.2 19.3 504 39 B L H < S+ 0 0 61 -4,-1.7 -1,-0.3 1,-0.2 -2,-0.2 0.849 109.5 45.0 -61.2 -34.3 29.5 -34.0 19.4 505 40 B K H < S+ 0 0 154 -4,-1.1 -2,-0.2 -3,-0.4 -1,-0.2 0.803 111.8 49.5 -81.0 -31.0 28.0 -34.1 15.9 506 41 B T H < S- 0 0 49 -4,-1.9 -2,-0.2 -5,-0.1 -1,-0.2 0.813 93.8-147.0 -76.7 -26.9 29.9 -31.2 14.5 507 42 B G < + 0 0 18 -4,-2.0 -3,-0.1 1,-0.2 -4,-0.1 0.559 27.9 174.8 74.6 9.3 33.1 -32.8 15.8 508 43 B V - 0 0 6 -5,-0.4 3,-0.2 1,-0.1 2,-0.2 -0.168 18.0-156.3 -49.7 138.0 34.7 -29.3 16.4 509 44 B K + 0 0 87 1,-0.2 -27,-3.2 -3,-0.1 -26,-0.3 -0.656 52.1 31.8-119.7 175.3 38.1 -30.0 18.2 510 45 B E S S+ 0 0 115 22,-0.4 24,-0.2 -29,-0.2 -1,-0.2 0.795 74.2 174.6 50.0 39.2 40.7 -28.6 20.4 511 46 B L E - j 0 534K 2 22,-2.5 24,-2.7 -3,-0.2 25,-2.2 -0.373 35.0-140.3 -75.6 150.4 38.3 -26.5 22.3 512 47 B T E -hj 484 536K 29 -29,-2.8 -27,-3.1 23,-0.2 2,-0.6 -0.954 28.0-160.4-103.7 109.8 39.1 -24.4 25.3 513 48 B A E -hj 485 537K 1 23,-2.9 25,-2.5 -2,-0.8 2,-0.9 -0.862 13.0-161.0 -99.4 118.4 36.0 -25.1 27.4 514 49 B V E +hj 486 538K 2 -29,-2.5 -27,-3.0 -2,-0.6 2,-0.4 -0.892 36.3 147.6 -94.9 107.7 35.4 -22.7 30.2 515 50 B S E -h 487 0K 7 23,-2.1 25,-0.2 -2,-0.9 -27,-0.1 -0.989 53.0-133.5-149.2 128.0 33.0 -24.8 32.3 516 51 B N S S+ 0 0 0 -29,-0.6 24,-2.3 -27,-0.4 25,-1.9 0.917 90.3 10.5 -53.3 -44.1 32.7 -24.7 36.0 517 52 B N S S- 0 0 8 -28,-0.3 25,-0.2 22,-0.2 8,-0.1 -0.701 73.8-114.7-125.7-176.8 32.8 -28.4 36.2 518 53 B A - 0 0 0 23,-0.5 5,-0.2 1,-0.4 11,-0.1 0.009 44.9-133.5-108.0 24.7 33.5 -31.4 34.0 519 54 B G - 0 0 3 -28,-0.2 -1,-0.4 6,-0.2 2,-0.3 -0.324 48.7 -63.2 55.3-141.4 30.0 -32.9 34.1 520 55 B V B > -Q 523 0M 21 3,-1.8 3,-2.1 -3,-0.1 25,-0.2 -0.856 65.6 -73.0-133.2 169.6 30.4 -36.6 34.8 521 56 B D T 3 S+ 0 0 53 23,-0.8 9,-0.3 -2,-0.3 8,-0.1 0.805 126.6 14.6 -33.5 -52.7 32.0 -39.2 32.8 522 57 B N T 3 S+ 0 0 88 7,-0.1 2,-0.3 8,-0.1 -1,-0.3 -0.282 118.8 65.9-126.0 55.9 29.5 -39.5 30.0 523 58 B F B X S-Q 520 0M 15 -3,-2.1 3,-1.8 -5,-0.2 -3,-1.8 -0.961 92.3 -3.1-168.8 147.2 27.4 -36.5 30.4 524 59 B G T >> S- 0 0 1 -2,-0.3 3,-2.3 1,-0.3 4,-0.7 -0.444 134.5 -8.7 65.5-141.5 27.7 -32.7 30.2 525 60 B L H >> S+ 0 0 2 1,-0.3 4,-1.6 2,-0.2 3,-0.5 0.771 128.8 75.6 -59.4 -25.3 31.2 -31.6 29.4 526 61 B G H <> S+ 0 0 0 -3,-1.8 4,-3.1 1,-0.3 -1,-0.3 0.842 86.9 59.9 -56.0 -31.3 32.1 -35.2 29.9 527 62 B L H <> S+ 0 0 45 -3,-2.3 4,-1.7 1,-0.2 -1,-0.3 0.914 107.2 45.5 -63.1 -40.8 30.6 -36.1 26.6 528 63 B L H <<>S+ 0 0 1 -4,-0.7 5,-2.6 -3,-0.5 6,-0.7 0.729 111.9 51.8 -74.3 -23.9 33.1 -33.7 24.9 529 64 B L H ><5S+ 0 0 0 -4,-1.6 3,-2.1 3,-0.2 -2,-0.2 0.914 107.3 52.9 -75.0 -44.3 35.9 -35.1 27.0 530 65 B Q H 3<5S+ 0 0 102 -4,-3.1 -2,-0.2 1,-0.3 -3,-0.2 0.895 110.9 47.0 -54.1 -42.2 35.0 -38.6 25.9 531 66 B S T 3<5S- 0 0 40 -4,-1.7 -1,-0.3 -5,-0.2 -2,-0.2 0.391 112.2-124.9 -80.0 1.2 35.1 -37.5 22.3 532 67 B K T < 5 + 0 0 114 -3,-2.1 -22,-0.4 1,-0.1 -3,-0.2 0.793 68.9 134.8 57.8 35.6 38.4 -35.8 22.9 533 68 B Q < + 0 0 1 -5,-2.6 -22,-2.5 -24,-0.2 2,-0.5 0.520 47.2 83.1 -90.5 -3.7 37.1 -32.5 21.6 534 69 B I E +j 511 0K 8 -6,-0.7 -22,-0.2 -24,-0.2 3,-0.1 -0.890 44.9 176.7-107.4 128.4 38.5 -30.5 24.5 535 70 B K E S+ 0 0 94 -24,-2.7 23,-2.5 -2,-0.5 2,-0.4 0.837 74.9 7.3 -89.9 -39.4 42.0 -29.3 24.5 536 71 B R E -jk 512 558K 46 -25,-2.2 -23,-2.9 21,-0.2 2,-0.4 -0.999 60.8-153.0-147.7 143.0 41.8 -27.3 27.8 537 72 B M E -jk 513 559K 0 21,-2.7 23,-3.4 -2,-0.4 2,-0.6 -0.935 3.2-161.1-115.4 144.5 39.3 -26.8 30.5 538 73 B I E +jk 514 560K 8 -25,-2.5 -23,-2.1 -2,-0.4 2,-0.3 -0.970 43.0 140.3-120.8 110.1 39.1 -23.7 32.7 539 74 B S E - k 0 561K 0 21,-1.7 23,-2.9 -2,-0.6 -23,-0.2 -0.945 53.9-141.0-150.5 161.4 37.1 -25.0 35.6 540 75 B S S S+ 0 0 0 -24,-2.3 298,-3.0 1,-0.3 2,-0.3 0.721 90.3 15.6-102.8 -26.7 36.8 -24.8 39.4 541 76 B Y + 0 0 66 -25,-1.9 -23,-0.5 296,-0.2 -1,-0.3 -0.950 53.8 172.6-150.3 128.4 36.0 -28.4 40.3 542 77 B V + 0 0 0 293,-2.8 3,-0.4 -2,-0.3 7,-0.1 0.020 33.1 131.8-129.3 27.8 36.4 -31.4 38.1 543 78 B G + 0 0 2 292,-0.4 -25,-0.3 1,-0.2 -2,-0.1 -0.154 53.3 44.4 -73.2 173.6 35.7 -34.3 40.4 544 79 B E S S+ 0 0 65 1,-0.1 -23,-0.8 -24,-0.1 2,-0.3 0.773 86.6 98.3 64.1 28.0 33.4 -37.2 39.5 545 80 B N > - 0 0 2 -3,-0.4 4,-2.1 -25,-0.2 5,-0.1 -0.828 46.9-176.5-143.9 100.4 34.6 -37.6 36.0 546 81 B A H > S+ 0 0 57 -2,-0.3 4,-2.6 2,-0.2 5,-0.1 0.840 85.2 55.5 -66.9 -30.6 37.1 -40.4 35.7 547 82 B E H > S+ 0 0 26 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.881 107.5 51.9 -71.2 -33.8 37.8 -39.8 32.0 548 83 B F H > S+ 0 0 0 2,-0.2 4,-2.8 1,-0.2 5,-0.2 0.971 110.8 45.7 -61.7 -51.9 38.6 -36.3 32.9 549 84 B E H X S+ 0 0 84 -4,-2.1 4,-3.1 1,-0.2 5,-0.3 0.907 111.6 53.9 -59.4 -40.5 41.1 -37.4 35.5 550 85 B R H X S+ 0 0 94 -4,-2.6 4,-1.8 1,-0.2 6,-0.2 0.940 112.6 41.6 -59.8 -49.5 42.5 -40.0 33.1 551 86 B Q H <>S+ 0 0 3 -4,-2.5 5,-2.9 2,-0.2 6,-1.3 0.876 116.3 50.1 -66.3 -38.3 43.2 -37.4 30.4 552 87 B Y H ><5S+ 0 0 0 -4,-2.8 3,-1.6 4,-0.2 48,-0.7 0.973 114.1 42.4 -64.3 -55.0 44.5 -34.9 32.9 553 88 B L H 3<5S+ 0 0 66 -4,-3.1 51,-0.4 1,-0.3 -1,-0.2 0.808 113.8 54.5 -63.5 -28.1 46.9 -37.2 34.6 554 89 B A T 3<5S- 0 0 38 -4,-1.8 -1,-0.3 -5,-0.3 48,-0.2 0.479 113.4-116.1 -84.8 -3.9 47.9 -38.6 31.3 555 90 B G T < 5S+ 0 0 18 -3,-1.6 -3,-0.2 -4,-0.4 -2,-0.1 0.707 86.5 114.6 79.0 16.7 48.8 -35.2 29.9 556 91 B E S - 0 0 1 0, 0.0 4,-3.2 0, 0.0 5,-0.2 -0.173 34.2-125.2 -52.1 136.4 38.6 -20.5 41.9 564 99 B Q H > S+ 0 0 3 274,-2.5 4,-2.6 1,-0.3 275,-0.2 0.881 108.2 45.6 -56.2 -42.2 34.9 -20.6 41.3 565 100 B G H > S+ 0 0 0 273,-0.2 4,-2.8 2,-0.2 -1,-0.3 0.853 113.7 50.4 -69.3 -36.3 34.2 -17.0 42.2 566 101 B T H > S+ 0 0 0 2,-0.2 4,-3.0 1,-0.2 5,-0.3 0.910 110.1 50.8 -68.4 -37.9 37.2 -15.9 40.2 567 102 B L H X S+ 0 0 0 -4,-3.2 4,-2.3 2,-0.2 -2,-0.2 0.955 113.4 44.8 -62.6 -45.5 35.9 -17.9 37.2 568 103 B A H X S+ 0 0 0 -4,-2.6 4,-2.7 -5,-0.2 -2,-0.2 0.920 116.0 45.9 -66.8 -40.8 32.5 -16.3 37.6 569 104 B E H X S+ 0 0 3 -4,-2.8 4,-2.6 2,-0.2 -1,-0.2 0.871 111.8 51.1 -74.4 -32.8 33.9 -12.8 38.1 570 105 B R H X S+ 0 0 26 -4,-3.0 59,-2.4 2,-0.2 4,-1.8 0.893 111.6 48.2 -69.7 -36.5 36.3 -13.1 35.2 571 106 B I H X S+ 0 0 0 -4,-2.3 4,-0.9 -5,-0.3 -2,-0.2 0.939 111.9 49.2 -66.3 -47.4 33.5 -14.3 33.0 572 107 B R H >X S+ 0 0 5 -4,-2.7 4,-1.3 1,-0.2 3,-1.1 0.925 110.0 52.1 -56.0 -39.4 31.4 -11.4 34.2 573 108 B A H 3<>S+ 0 0 1 -4,-2.6 5,-1.9 1,-0.3 4,-0.5 0.885 102.9 58.5 -64.5 -36.0 34.2 -9.1 33.4 574 109 B G H 3<5S+ 0 0 5 -4,-1.8 -1,-0.3 55,-0.4 -2,-0.2 0.696 113.0 39.5 -66.7 -17.8 34.5 -10.5 30.0 575 110 B G H <<5S+ 0 0 2 -3,-1.1 -1,-0.2 -4,-0.9 -2,-0.2 0.562 113.8 54.8-103.9 -10.4 30.9 -9.4 29.3 576 111 B A T <5S- 0 0 1 -4,-1.3 -241,-0.2 -3,-0.3 -2,-0.2 0.233 110.4-106.3-111.7 11.0 31.1 -6.1 31.2 577 112 B G T 5S+ 0 0 22 -4,-0.5 -458,-0.5 1,-0.2 -3,-0.2 0.646 78.4 130.0 74.8 15.5 34.0 -4.4 29.5 578 113 B V < - 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