==== 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 BIOSYNTHETIC PROTEIN 07-JUL-05 2A81 . COMPND 2 MOLECULE: CARB; . SOURCE 2 ORGANISM_SCIENTIFIC: PECTOBACTERIUM CAROTOVORUM; . AUTHOR M.C.SLEEMAN,J.L.SORENSEN,E.T.BATCHELAR,M.A.MCDONOUGH,C.J.SCH . 697 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 26107.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 553 79.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 80 11.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 31 4.4 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 . 3 0.4 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 . 45 6.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 56 8.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 309 44.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 0.9 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 2 1 2 5 0 0 3 3 0 0 0 0 6 0 0 3 0 0 0 0 0 0 0 0 0 1 2 RESIDUES PER ALPHA HELIX . 4 0 6 6 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 PARALLEL BRIDGES PER LADDER . 0 2 1 0 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 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 3 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 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 M 0 0 72 0, 0.0 15,-3.3 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 24.0 -4.4 -57.5 -12.5 2 2 A V E -A 15 0A 26 13,-0.3 2,-0.4 14,-0.1 13,-0.2 -0.983 360.0-141.8-147.0 135.2 -2.9 -54.5 -14.4 3 3 A F E -A 14 0A 102 11,-2.7 11,-2.3 -2,-0.3 2,-0.5 -0.780 12.8-157.6 -90.3 144.8 -4.4 -51.9 -16.7 4 4 A E E +A 13 0A 60 -2,-0.4 2,-0.2 9,-0.2 9,-0.2 -0.964 24.4 155.3-122.7 114.9 -2.4 -50.8 -19.7 5 5 A E E -A 12 0A 136 7,-2.2 7,-2.8 -2,-0.5 2,-0.4 -0.726 30.4-121.1-127.8 179.0 -3.2 -47.4 -21.2 6 6 A N E -A 11 0A 82 5,-0.2 2,-0.5 -2,-0.2 5,-0.2 -0.986 20.3-173.1-135.5 130.9 -1.4 -44.8 -23.3 7 7 A S E > S-A 10 0A 36 3,-2.7 3,-1.7 -2,-0.4 2,-0.2 -0.752 76.0 -80.3-106.7 75.9 -0.4 -41.2 -23.1 8 8 A D T 3 S+ 0 0 137 -2,-0.5 -1,-0.2 1,-0.3 36,-0.0 -0.443 116.6 2.1 56.6-125.5 0.9 -41.2 -26.7 9 9 A E T 3 S+ 0 0 12 -2,-0.2 37,-3.2 -3,-0.1 38,-1.1 0.612 120.4 90.6 -67.7 -9.2 4.4 -42.7 -26.7 10 10 A V E < -Ab 7 47A 0 -3,-1.7 -3,-2.7 35,-0.2 2,-0.5 -0.767 65.0-154.7 -91.7 126.4 4.1 -43.3 -22.9 11 11 A R E -Ab 6 48A 20 36,-2.6 38,-2.4 -2,-0.5 2,-0.6 -0.865 8.0-156.8 -95.4 132.8 2.6 -46.6 -21.7 12 12 A V E -Ab 5 49A 11 -7,-2.8 -7,-2.2 -2,-0.5 2,-0.6 -0.942 4.1-164.8-116.8 115.8 1.0 -46.5 -18.3 13 13 A I E -Ab 4 50A 0 36,-3.0 38,-2.5 -2,-0.6 2,-0.6 -0.881 6.9-166.0-100.9 116.9 0.7 -49.7 -16.3 14 14 A T E -Ab 3 51A 25 -11,-2.3 -11,-2.7 -2,-0.6 38,-0.2 -0.901 19.0-128.9-109.2 118.8 -1.7 -49.4 -13.4 15 15 A L E +A 2 0A 0 36,-2.7 -13,-0.3 -2,-0.6 7,-0.1 -0.410 27.1 179.8 -68.2 135.0 -1.7 -52.2 -10.7 16 16 A D + 0 0 57 -15,-3.3 -14,-0.1 -2,-0.1 -1,-0.1 -0.442 11.1 159.9-142.2 62.0 -5.1 -53.6 -10.0 17 17 A H - 0 0 25 2,-0.3 5,-0.2 1,-0.1 7,-0.0 -0.526 56.0-112.0 -69.9 147.7 -5.1 -56.3 -7.4 18 18 A P S S+ 0 0 111 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.887 105.8 76.2 -45.6 -39.9 -8.5 -56.9 -5.9 19 19 A N S > S- 0 0 71 1,-0.1 3,-2.2 4,-0.1 -2,-0.3 -0.605 86.1-134.5 -79.4 132.6 -6.9 -55.5 -2.8 20 20 A K T 3 S+ 0 0 104 -2,-0.3 37,-1.3 1,-0.3 -1,-0.1 0.761 102.8 61.9 -58.4 -25.7 -6.4 -51.7 -2.7 21 21 A H T 3 S- 0 0 61 35,-0.2 39,-2.6 38,-0.1 -1,-0.3 0.302 101.1-132.5 -90.5 10.9 -2.8 -52.1 -1.4 22 22 A N < - 0 0 0 -3,-2.2 39,-0.2 37,-0.2 2,-0.1 0.872 27.7-164.8 45.0 56.3 -1.7 -54.1 -4.5 23 23 A P - 0 0 15 0, 0.0 2,-1.6 0, 0.0 39,-0.3 -0.488 28.2-108.4 -70.0 144.4 0.1 -56.9 -2.6 24 24 A F B +f 62 0B 4 37,-3.0 39,-1.5 -2,-0.1 2,-0.2 -0.590 48.6 170.5 -79.1 88.1 2.4 -58.9 -4.9 25 25 A S > - 0 0 12 -2,-1.6 4,-2.3 37,-0.2 3,-0.2 -0.529 51.7-102.2 -81.3 164.9 0.5 -62.2 -5.3 26 26 A R H > S+ 0 0 119 1,-0.2 4,-2.0 2,-0.2 5,-0.1 0.851 124.0 54.6 -57.8 -36.5 1.9 -64.6 -7.8 27 27 A T H > S+ 0 0 79 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.900 107.7 48.7 -64.2 -41.3 -0.9 -63.5 -10.2 28 28 A L H > S+ 0 0 0 2,-0.2 4,-2.8 -3,-0.2 5,-0.3 0.920 107.7 54.5 -67.6 -43.1 0.1 -59.9 -9.9 29 29 A E H X S+ 0 0 3 -4,-2.3 4,-2.9 1,-0.2 5,-0.2 0.972 108.8 50.1 -47.8 -58.5 3.8 -60.6 -10.5 30 30 A T H X S+ 0 0 60 -4,-2.0 4,-3.0 1,-0.2 -2,-0.2 0.891 111.3 46.5 -47.3 -55.0 2.8 -62.4 -13.7 31 31 A S H X S+ 0 0 22 -4,-2.1 4,-2.7 1,-0.2 -1,-0.2 0.922 113.7 48.9 -56.4 -49.0 0.6 -59.6 -15.0 32 32 A V H X S+ 0 0 1 -4,-2.8 4,-1.8 1,-0.2 -1,-0.2 0.878 113.1 47.0 -61.7 -41.2 3.3 -57.0 -14.2 33 33 A K H X S+ 0 0 59 -4,-2.9 4,-2.2 -5,-0.3 -1,-0.2 0.942 113.6 48.2 -65.7 -46.0 6.0 -59.0 -15.9 34 34 A D H X S+ 0 0 79 -4,-3.0 4,-2.3 -5,-0.2 -2,-0.2 0.871 111.0 49.9 -62.8 -40.4 3.8 -59.6 -19.0 35 35 A A H X S+ 0 0 0 -4,-2.7 4,-2.2 -5,-0.2 -1,-0.2 0.873 110.8 50.3 -66.2 -39.3 2.9 -55.9 -19.3 36 36 A L H X S+ 0 0 6 -4,-1.8 4,-2.3 -5,-0.2 -2,-0.2 0.887 109.1 52.2 -63.4 -41.4 6.5 -55.0 -19.1 37 37 A A H X S+ 0 0 57 -4,-2.2 4,-2.5 1,-0.2 -2,-0.2 0.957 111.8 45.2 -59.7 -52.8 7.4 -57.5 -21.8 38 38 A R H X S+ 0 0 118 -4,-2.3 4,-1.5 1,-0.2 -1,-0.2 0.886 112.7 51.2 -57.2 -44.6 4.8 -56.1 -24.2 39 39 A A H < S+ 0 0 0 -4,-2.2 -1,-0.2 2,-0.2 6,-0.2 0.883 113.0 45.1 -62.6 -41.1 5.8 -52.5 -23.4 40 40 A N H < S+ 0 0 58 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.877 116.1 46.2 -69.8 -39.2 9.5 -53.2 -24.1 41 41 A A H < S+ 0 0 80 -4,-2.5 2,-0.6 -5,-0.2 -2,-0.2 0.679 95.5 89.7 -76.9 -19.1 8.6 -55.2 -27.3 42 42 A D >< - 0 0 58 -4,-1.5 3,-0.8 -5,-0.2 -4,-0.0 -0.711 60.0-161.4 -87.5 119.5 6.2 -52.6 -28.6 43 43 A D T 3 S+ 0 0 147 -2,-0.6 -1,-0.1 1,-0.2 -4,-0.0 0.754 89.4 65.6 -71.3 -25.7 7.8 -49.9 -30.8 44 44 A S T 3 S+ 0 0 73 2,-0.0 2,-0.4 -34,-0.0 -1,-0.2 0.753 92.4 78.6 -63.7 -24.1 4.9 -47.5 -30.3 45 45 A V < + 0 0 1 -3,-0.8 -35,-0.2 -6,-0.2 -36,-0.1 -0.744 48.0 163.2 -87.1 131.3 6.0 -47.4 -26.6 46 46 A R + 0 0 128 -37,-3.2 2,-0.3 -2,-0.4 -36,-0.2 0.428 67.6 17.4-121.8 -6.0 9.0 -45.2 -25.8 47 47 A A E -b 10 0A 0 -38,-1.1 -36,-2.6 48,-0.2 2,-0.4 -0.966 66.0-140.8-163.7 153.4 8.7 -44.9 -22.0 48 48 A V E -bc 11 97A 1 48,-2.5 50,-2.8 -2,-0.3 2,-0.4 -0.968 7.9-169.7-130.0 133.4 6.9 -46.7 -19.1 49 49 A V E -bc 12 98A 0 -38,-2.4 -36,-3.0 -2,-0.4 2,-0.4 -0.984 8.6-160.7-118.3 127.7 5.1 -45.5 -16.0 50 50 A V E +bc 13 99A 0 48,-2.3 50,-2.7 -2,-0.4 2,-0.3 -0.937 17.6 178.7-109.8 133.8 4.0 -48.0 -13.3 51 51 A Y E -bc 14 100A 18 -38,-2.5 -36,-2.7 -2,-0.4 50,-0.1 -0.988 35.9-141.6-144.9 139.2 1.4 -46.8 -10.9 52 52 A G - 0 0 0 48,-1.0 5,-0.2 -2,-0.3 2,-0.1 0.770 59.2-108.5 -71.0 -27.7 -0.6 -48.2 -7.9 53 53 A G > - 0 0 4 47,-0.2 3,-1.7 3,-0.2 -1,-0.2 -0.230 45.9 -50.7 111.5 156.0 -3.8 -46.4 -8.9 54 54 A A T 3 S+ 0 0 70 1,-0.3 3,-0.1 -2,-0.1 128,-0.0 -0.429 128.3 1.8 -62.2 130.9 -5.8 -43.5 -7.5 55 55 A E T 3 S+ 0 0 174 1,-0.2 2,-0.3 -2,-0.1 -1,-0.3 0.769 115.0 110.8 58.4 31.2 -6.3 -43.9 -3.7 56 56 A R S < S- 0 0 39 -3,-1.7 -1,-0.2 -35,-0.1 -35,-0.2 -0.952 71.8-109.6-133.9 149.9 -4.3 -47.2 -3.9 57 57 A S - 0 0 4 -37,-1.3 46,-0.3 -2,-0.3 3,-0.2 -0.526 21.6-126.1 -80.0 145.7 -0.9 -48.2 -2.6 58 58 A F S S- 0 0 0 44,-2.2 47,-0.2 1,-0.2 2,-0.2 0.953 85.4 -46.8 -51.4 -54.9 2.0 -48.7 -5.0 59 59 A S B -g 105 0C 0 45,-2.0 47,-1.8 -35,-0.0 2,-0.3 -0.586 39.5-143.4-177.0 130.3 2.3 -52.1 -3.3 60 60 A A - 0 0 33 -39,-2.6 48,-0.1 1,-0.3 45,-0.1 -0.128 62.9-100.3 -84.1 38.3 2.3 -53.2 0.3 61 61 A G S S- 0 0 3 -2,-0.3 -37,-3.0 -39,-0.2 -1,-0.3 -0.356 70.8 -15.1 81.4-160.7 4.9 -55.8 -0.6 62 62 A G B S-f 24 0B 29 -39,-0.3 2,-0.7 1,-0.1 -37,-0.2 -0.054 83.3 -77.9 -72.5 174.9 4.2 -59.5 -1.2 63 63 A D >> - 0 0 37 -39,-1.5 4,-2.3 1,-0.2 3,-1.2 -0.678 29.3-152.6 -81.6 112.3 1.1 -61.5 -0.2 64 64 A F H 3> S+ 0 0 142 -2,-0.7 4,-2.1 1,-0.3 5,-0.3 0.733 97.2 64.1 -52.4 -25.8 1.2 -62.3 3.5 65 65 A N H 3> S+ 0 0 118 2,-0.2 4,-0.7 3,-0.2 -1,-0.3 0.875 108.4 37.5 -67.1 -42.4 -0.9 -65.3 2.5 66 66 A E H X4 S+ 0 0 35 -3,-1.2 3,-0.7 2,-0.1 -2,-0.2 0.983 119.6 49.0 -64.2 -61.8 1.9 -66.7 0.4 67 67 A V H >< S+ 0 0 21 -4,-2.3 3,-1.4 1,-0.3 -2,-0.2 0.878 113.2 42.3 -50.3 -60.7 4.6 -65.7 2.9 68 68 A K H 3< S+ 0 0 79 -4,-2.1 -1,-0.3 1,-0.3 -3,-0.2 0.796 110.6 60.2 -57.5 -28.9 3.1 -67.0 6.2 69 69 A Q T << S+ 0 0 102 -3,-0.7 2,-0.6 -4,-0.7 -1,-0.3 0.041 81.8 111.4 -89.6 28.3 2.1 -70.2 4.4 70 70 A L < + 0 0 26 -3,-1.4 3,-0.0 1,-0.1 -4,-0.0 -0.903 20.4 125.8-109.9 114.0 5.8 -71.1 3.5 71 71 A S + 0 0 81 -2,-0.6 -1,-0.1 163,-0.1 5,-0.1 0.637 47.8 83.6-124.9 -61.3 7.5 -74.1 5.2 72 72 A R S > S- 0 0 75 1,-0.1 4,-1.3 3,-0.1 5,-0.1 -0.089 71.1-136.0 -47.3 144.9 8.9 -76.5 2.6 73 73 A S H > S+ 0 0 67 2,-0.2 4,-3.1 1,-0.2 5,-0.3 0.893 106.0 58.1 -71.3 -42.5 12.4 -75.6 1.3 74 74 A E H > S+ 0 0 55 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.919 108.9 47.5 -47.0 -47.3 11.3 -76.3 -2.3 75 75 A D H > S+ 0 0 82 2,-0.2 4,-1.0 1,-0.2 -1,-0.2 0.820 115.2 42.1 -68.8 -38.0 8.6 -73.7 -1.8 76 76 A I H X S+ 0 0 1 -4,-1.3 4,-1.9 2,-0.2 -2,-0.2 0.907 110.9 55.4 -77.9 -45.9 10.8 -71.0 -0.3 77 77 A E H X S+ 0 0 17 -4,-3.1 4,-1.4 1,-0.2 3,-0.3 0.945 111.4 44.5 -48.1 -53.2 13.7 -71.5 -2.7 78 78 A E H X S+ 0 0 82 -4,-1.9 4,-2.0 -5,-0.3 -1,-0.2 0.799 106.3 61.0 -69.5 -29.1 11.4 -71.0 -5.7 79 79 A W H X S+ 0 0 32 -4,-1.0 4,-2.3 2,-0.2 -1,-0.2 0.912 102.9 51.2 -61.7 -43.6 9.6 -68.0 -4.1 80 80 A I H X S+ 0 0 6 -4,-1.9 4,-2.4 -3,-0.3 5,-0.2 0.905 106.8 53.9 -61.7 -42.7 13.0 -66.1 -4.0 81 81 A D H X S+ 0 0 48 -4,-1.4 4,-2.7 1,-0.2 -1,-0.2 0.936 108.4 50.6 -55.7 -46.6 13.5 -66.9 -7.7 82 82 A R H X S+ 0 0 32 -4,-2.0 4,-2.0 1,-0.2 -2,-0.2 0.943 109.2 50.7 -54.5 -52.5 10.1 -65.3 -8.5 83 83 A V H X S+ 0 0 9 -4,-2.3 4,-1.8 1,-0.2 -1,-0.2 0.913 113.1 43.7 -53.8 -51.6 10.9 -62.2 -6.5 84 84 A I H X S+ 0 0 2 -4,-2.4 4,-3.4 1,-0.2 5,-0.3 0.936 108.5 58.2 -62.6 -48.1 14.2 -61.6 -8.3 85 85 A D H X S+ 0 0 65 -4,-2.7 4,-2.6 1,-0.2 -1,-0.2 0.859 105.9 51.4 -46.9 -42.3 12.7 -62.4 -11.7 86 86 A L H X S+ 0 0 0 -4,-2.0 4,-1.2 2,-0.2 -1,-0.2 0.950 111.5 45.4 -60.2 -51.2 10.2 -59.6 -11.1 87 87 A Y H X S+ 0 0 1 -4,-1.8 4,-2.0 1,-0.2 3,-0.4 0.894 113.9 49.3 -63.3 -40.9 13.0 -57.1 -10.2 88 88 A Q H X S+ 0 0 14 -4,-3.4 4,-2.3 1,-0.2 -1,-0.2 0.919 102.1 63.7 -61.6 -43.6 15.0 -58.2 -13.2 89 89 A A H < S+ 0 0 25 -4,-2.6 -1,-0.2 -5,-0.3 -2,-0.2 0.843 107.5 42.5 -49.1 -38.3 11.9 -57.8 -15.4 90 90 A V H >< S+ 0 0 2 -4,-1.2 3,-2.0 -3,-0.4 -1,-0.2 0.935 111.7 53.1 -74.0 -48.4 12.0 -54.1 -14.6 91 91 A L H 3< S+ 0 0 6 -4,-2.0 -2,-0.2 1,-0.3 -1,-0.2 0.759 105.3 56.5 -60.2 -26.2 15.8 -53.7 -15.0 92 92 A N T 3< S+ 0 0 93 -4,-2.3 2,-0.8 -5,-0.1 -1,-0.3 0.372 74.1 112.5 -91.7 3.7 15.7 -55.3 -18.5 93 93 A V < - 0 0 2 -3,-2.0 -45,-0.1 -5,-0.2 -56,-0.1 -0.702 58.2-155.3 -75.1 114.7 13.2 -52.8 -19.9 94 94 A N + 0 0 22 -2,-0.8 113,-0.1 2,-0.0 -1,-0.1 0.398 69.1 70.3 -77.0 4.3 15.3 -51.0 -22.4 95 95 A K S S- 0 0 27 1,-0.1 -48,-0.2 112,-0.1 101,-0.1 -0.663 101.4 -70.6-113.3 169.7 13.2 -47.8 -22.3 96 96 A P - 0 0 6 0, 0.0 -48,-2.5 0, 0.0 2,-0.4 -0.320 47.6-157.1 -60.4 144.5 12.8 -45.2 -19.5 97 97 A T E -c 48 0A 4 -50,-0.2 21,-1.8 -3,-0.1 20,-1.2 -0.978 10.4-174.9-133.0 120.0 10.9 -46.3 -16.4 98 98 A I E -cd 49 118A 0 -50,-2.8 -48,-2.3 -2,-0.4 2,-0.6 -0.906 12.6-151.3-109.9 139.2 9.1 -44.1 -13.9 99 99 A A E -cd 50 119A 0 19,-2.0 21,-2.1 -2,-0.4 2,-0.9 -0.951 4.7-157.6-111.8 118.2 7.5 -45.3 -10.7 100 100 A A E -cd 51 120A 0 -50,-2.7 -48,-1.0 -2,-0.6 2,-0.6 -0.830 17.7-163.1 -96.7 102.8 4.5 -43.2 -9.5 101 101 A V E + d 0 121A 0 19,-3.1 21,-2.2 -2,-0.9 2,-0.3 -0.785 22.3 152.0-102.0 116.5 4.3 -44.0 -5.7 102 102 A D + 0 0 13 -2,-0.6 -44,-2.2 19,-0.2 2,-0.2 -0.861 59.1 7.8-125.3 167.0 1.2 -43.2 -3.6 103 103 A G S S- 0 0 21 -2,-0.3 23,-2.7 -46,-0.3 2,-0.4 -0.443 116.0 -12.5 66.4-131.2 0.0 -45.0 -0.5 104 104 A Y E - 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0 0 45 -5,-2.3 -1,-0.4 -6,-0.2 -2,-0.1 -0.719 60.8-109.6 -92.3 146.3 11.1 -61.8 7.9 137 137 A G - 0 0 3 -2,-0.3 534,-0.1 -3,-0.1 4,-0.1 -0.353 28.0-172.3 -68.8 155.3 14.6 -62.1 6.4 138 138 A C > + 0 0 3 532,-0.4 4,-2.6 2,-0.1 5,-0.2 -0.008 44.2 117.5-145.5 34.7 15.9 -59.1 4.5 139 139 A S H > S+ 0 0 7 2,-0.2 4,-2.5 1,-0.2 5,-0.1 0.863 82.7 50.5 -72.6 -36.0 19.2 -60.0 2.7 140 140 A V H > S+ 0 0 9 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.946 113.3 46.2 -67.6 -46.0 17.7 -59.3 -0.6 141 141 A G H > S+ 0 0 1 2,-0.2 4,-2.9 1,-0.2 5,-0.3 0.946 112.8 49.0 -58.7 -51.8 16.5 -55.9 0.6 142 142 A A H X S+ 0 0 5 -4,-2.6 4,-2.9 1,-0.2 5,-0.3 0.929 111.6 51.5 -51.9 -47.9 19.9 -55.1 2.2 143 143 A A H X S+ 0 0 24 -4,-2.5 4,-1.7 2,-0.2 -2,-0.2 0.937 114.1 41.3 -56.3 -52.5 21.6 -56.2 -1.0 144 144 A I H X S+ 0 0 0 -4,-2.5 4,-2.3 2,-0.2 3,-0.3 0.961 118.1 45.1 -60.2 -55.4 19.5 -53.9 -3.2 145 145 A L H X S+ 0 0 0 -4,-2.9 4,-2.5 1,-0.3 5,-0.3 0.848 110.0 54.3 -66.3 -37.9 19.5 -50.9 -0.9 146 146 A G H X S+ 0 0 21 -4,-2.9 4,-1.5 -5,-0.3 -1,-0.3 0.895 113.1 45.3 -56.8 -40.8 23.2 -51.2 -0.2 147 147 A F H < S+ 0 0 55 -4,-1.7 240,-0.6 -3,-0.3 -2,-0.2 0.879 119.6 37.7 -72.6 -41.8 23.8 -51.1 -3.9 148 148 A T H < S+ 0 0 2 -4,-2.3 240,-2.3 239,-0.1 241,-0.3 0.793 136.0 14.8 -81.2 -31.5 21.4 -48.2 -4.8 149 149 A H H < S- 0 0 21 -4,-2.5 4,-0.3 -5,-0.2 -3,-0.2 0.337 109.1 -94.8-133.5 3.3 22.0 -46.0 -1.8 150 150 A G X - 0 0 32 -4,-1.5 4,-1.7 -5,-0.3 -1,-0.2 -0.023 35.9 -83.0 99.7 158.9 25.2 -47.1 0.1 151 151 A F H > S+ 0 0 17 464,-0.6 4,-2.6 2,-0.2 5,-0.2 0.977 121.0 44.3 -64.3 -59.8 26.0 -49.3 3.1 152 152 A S H > S+ 0 0 9 464,-2.0 4,-1.9 1,-0.2 -1,-0.2 0.807 113.4 51.3 -64.5 -31.4 25.4 -47.0 6.0 153 153 A T H > S+ 0 0 17 -4,-0.3 4,-2.3 463,-0.2 -1,-0.2 0.931 111.7 47.6 -65.4 -47.4 22.1 -45.7 4.6 154 154 A M H X S+ 0 0 7 -4,-1.7 4,-2.6 1,-0.2 5,-0.4 0.934 109.3 54.4 -57.6 -48.8 20.9 -49.2 4.1 155 155 A Q H X S+ 0 0 3 -4,-2.6 4,-2.0 1,-0.2 5,-0.3 0.909 109.1 48.1 -48.9 -51.5 22.0 -50.2 7.6 156 156 A E H X S+ 0 0 12 -4,-1.9 4,-2.1 2,-0.2 5,-0.2 0.940 114.3 45.7 -57.7 -51.2 19.9 -47.4 9.1 157 157 A I H X S+ 0 0 7 -4,-2.3 4,-2.0 1,-0.2 5,-0.4 0.948 116.5 39.9 -62.1 -57.9 16.8 -48.2 7.1 158 158 A I H < S+ 0 0 1 -4,-2.6 -26,-0.3 1,-0.2 -25,-0.2 0.815 120.1 45.7 -66.0 -30.9 16.6 -52.0 7.6 159 159 A Y H < S+ 0 0 1 -4,-2.0 -1,-0.2 -5,-0.4 -2,-0.2 0.759 116.2 44.2 -83.7 -27.7 17.7 -51.8 11.3 160 160 A Q H < S- 0 0 26 -4,-2.1 -2,-0.2 -5,-0.3 -3,-0.2 0.757 85.5-159.7 -84.3 -28.6 15.4 -48.9 12.3 161 161 A C < + 0 0 12 -4,-2.0 2,-0.2 -32,-0.2 -3,-0.1 0.905 30.4 163.0 48.7 53.9 12.3 -50.3 10.4 162 162 A Q - 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0 0 9 -6,-0.5 -55,-0.2 -9,-0.1 3,-0.1 -0.911 62.9-144.5-134.5 161.3 25.4 -41.2 13.2 644 176 C N S S+ 0 0 30 -57,-3.7 2,-0.3 -2,-0.3 -56,-0.2 0.607 85.4 14.1 -97.1 -15.0 21.8 -42.2 13.6 645 177 C Q E -v 588 0F 80 -58,-1.1 -56,-2.5 2,-0.0 2,-0.4 -0.988 53.0-155.7-162.4 148.0 21.2 -39.8 16.5 646 178 C V E +v 589 0F 51 -2,-0.3 2,-0.3 -58,-0.2 -56,-0.2 -0.998 29.6 155.5-126.7 125.8 22.5 -36.8 18.4 647 179 C V E -v 590 0F 27 -58,-2.1 -56,-2.4 -2,-0.4 -55,-0.3 -0.839 47.2 -71.6-138.4 177.0 21.5 -36.2 22.0 648 180 C E >> - 0 0 113 -2,-0.3 4,-1.4 -58,-0.2 3,-0.6 -0.423 44.0-117.3 -67.2 148.6 22.6 -34.5 25.2 649 181 C S H >> S+ 0 0 42 1,-0.3 3,-0.6 2,-0.2 4,-0.5 0.905 117.3 53.0 -53.0 -45.1 25.6 -36.1 27.0 650 182 C S H 34 S+ 0 0 110 1,-0.2 4,-0.3 2,-0.1 -1,-0.3 0.825 115.0 41.3 -59.1 -33.6 23.4 -36.8 30.0 651 183 C A H <> S+ 0 0 41 -3,-0.6 4,-2.1 1,-0.1 -1,-0.2 0.618 91.3 91.9 -88.0 -15.6 20.8 -38.5 27.8 652 184 C L H S+ 0 0 114 -4,-0.3 4,-2.3 1,-0.2 -1,-0.2 0.906 111.0 53.7 -55.1 -44.2 19.7 -44.3 28.0 655 187 C A H X S+ 0 0 17 -4,-2.1 4,-1.9 1,-0.2 -1,-0.2 0.906 109.8 47.3 -56.0 -44.9 19.1 -43.4 24.4 656 188 C A H X S+ 0 0 0 -4,-2.2 4,-2.0 1,-0.2 -2,-0.2 0.910 110.3 51.6 -66.0 -44.4 21.5 -46.1 23.2 657 189 C I H X S+ 0 0 18 -4,-2.4 4,-2.5 2,-0.2 -1,-0.2 0.888 107.3 54.0 -58.3 -40.3 20.1 -48.7 25.5 658 190 C T H X S+ 0 0 83 -4,-2.3 4,-2.2 1,-0.2 -2,-0.2 0.933 107.7 49.1 -63.8 -48.2 16.6 -48.0 24.2 659 191 C Q H X S+ 0 0 30 -4,-1.9 4,-2.5 1,-0.2 -1,-0.2 0.871 110.8 51.9 -50.8 -43.7 17.7 -48.5 20.6 660 192 C A H X S+ 0 0 0 -4,-2.0 4,-2.3 2,-0.2 -2,-0.2 0.891 108.2 50.0 -64.4 -42.9 19.3 -51.8 21.8 661 193 C H H X S+ 0 0 52 -4,-2.5 4,-1.0 2,-0.2 -2,-0.2 0.854 111.1 51.3 -60.7 -39.0 16.0 -52.9 23.4 662 194 C V H >< S+ 0 0 59 -4,-2.2 3,-0.6 2,-0.2 -2,-0.2 0.949 115.3 39.1 -63.2 -53.2 14.2 -52.0 20.1 663 195 C M H >< S+ 0 0 1 -4,-2.5 3,-1.2 1,-0.2 -2,-0.2 0.799 110.7 60.9 -69.4 -29.3 16.6 -54.1 18.0 664 196 C A H 3< S+ 0 0 10 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.746 96.1 61.9 -66.0 -26.1 16.7 -56.8 20.7 665 197 C S T << S+ 0 0 85 -4,-1.0 -1,-0.2 -3,-0.6 -2,-0.2 0.519 80.2 106.2 -78.8 -6.5 13.0 -57.3 20.2 666 198 C Y S < S- 0 0 13 -3,-1.2 -533,-0.2 -4,-0.2 5,-0.1 -0.638 93.0 -91.7 -74.4 126.4 13.5 -58.3 16.5 667 199 C P > - 0 0 53 0, 0.0 4,-1.9 0, 0.0 5,-0.1 -0.088 41.4-138.1 -37.1 117.2 13.0 -62.1 16.0 668 200 C A H > S+ 0 0 61 1,-0.2 4,-3.4 2,-0.2 5,-0.3 0.882 91.9 51.6 -55.9 -56.8 16.5 -63.4 16.4 669 201 C S H > S+ 0 0 48 1,-0.2 4,-2.2 2,-0.2 5,-0.3 0.915 114.0 45.0 -50.8 -51.8 16.9 -66.0 13.7 670 202 C A H > S+ 0 0 0 1,-0.2 4,-1.1 -438,-0.2 -532,-0.4 0.870 116.9 46.5 -60.2 -40.8 15.7 -63.5 11.0 671 203 C F H X S+ 0 0 4 -4,-1.9 4,-3.0 2,-0.2 5,-0.2 0.946 112.0 49.1 -66.6 -49.8 17.9 -60.8 12.4 672 204 C I H X S+ 0 0 45 -4,-3.4 4,-2.7 1,-0.2 -2,-0.2 0.927 111.7 46.7 -58.9 -51.3 21.1 -62.9 12.8 673 205 C N H X S+ 0 0 40 -4,-2.2 4,-1.6 -5,-0.3 -1,-0.2 0.826 115.0 48.3 -63.6 -31.9 21.1 -64.4 9.3 674 206 C T H X S+ 0 0 0 -4,-1.1 4,-2.6 -5,-0.3 -2,-0.2 0.959 110.6 49.2 -69.9 -52.3 20.4 -61.0 7.8 675 207 C K H X S+ 0 0 2 -4,-3.0 4,-3.1 1,-0.2 5,-0.2 0.899 109.5 53.9 -55.6 -42.2 23.2 -59.3 9.8 676 208 C R H X S+ 0 0 129 -4,-2.7 4,-1.2 1,-0.2 -1,-0.2 0.937 110.7 45.5 -56.4 -48.9 25.6 -62.0 8.7 677 209 C A H < S+ 0 0 40 -4,-1.6 -1,-0.2 1,-0.2 -2,-0.2 0.884 114.7 49.3 -59.2 -42.0 24.7 -61.4 5.1 678 210 C V H X S+ 0 0 6 -4,-2.6 4,-0.5 1,-0.2 -2,-0.2 0.941 114.2 42.1 -66.2 -50.3 25.1 -57.7 5.5 679 211 C N H X S+ 0 0 4 -4,-3.1 4,-2.9 1,-0.2 5,-0.2 0.605 92.4 87.5 -77.7 -11.1 28.4 -57.7 7.3 680 212 C K H X S+ 0 0 143 -4,-1.2 4,-2.8 -5,-0.2 5,-0.2 0.948 90.5 43.6 -56.1 -56.4 30.0 -60.4 5.0 681 213 C P H > S+ 0 0 66 0, 0.0 4,-1.9 0, 0.0 -1,-0.2 0.865 113.9 53.8 -55.5 -36.1 31.3 -58.0 2.3 682 214 C F H X S+ 0 0 0 -4,-0.5 4,-2.2 2,-0.2 -2,-0.2 0.943 110.1 45.5 -62.8 -50.2 32.5 -55.6 5.1 683 215 C I H X S+ 0 0 40 -4,-2.9 4,-1.9 1,-0.2 -1,-0.2 0.942 112.0 52.1 -57.5 -48.0 34.5 -58.5 6.7 684 216 C H H X S+ 0 0 107 -4,-2.8 4,-1.8 1,-0.2 -1,-0.2 0.830 107.8 52.8 -58.3 -36.3 35.8 -59.5 3.4 685 217 C L H X S+ 0 0 35 -4,-1.9 4,-2.9 -5,-0.2 -1,-0.2 0.919 106.0 52.2 -65.2 -45.8 36.9 -55.9 2.8 686 218 C L H X S+ 0 0 0 -4,-2.2 4,-1.5 1,-0.2 -2,-0.2 0.855 109.2 51.7 -60.5 -32.7 38.8 -55.8 6.1 687 219 C E H X S+ 0 0 75 -4,-1.9 4,-1.8 2,-0.2 -1,-0.2 0.899 110.0 47.4 -70.0 -39.3 40.6 -59.0 5.0 688 220 C Q H X S+ 0 0 95 -4,-1.8 4,-2.1 1,-0.2 -2,-0.2 0.931 112.0 50.5 -66.5 -45.0 41.6 -57.5 1.7 689 221 C T H X S+ 0 0 12 -4,-2.9 4,-2.6 1,-0.2 -1,-0.2 0.785 104.7 58.6 -60.3 -33.8 42.8 -54.4 3.4 690 222 C R H X S+ 0 0 25 -4,-1.5 4,-0.9 -5,-0.2 -1,-0.2 0.973 109.9 42.3 -59.1 -53.7 44.8 -56.5 5.9 691 223 C D H X S+ 0 0 106 -4,-1.8 4,-0.7 1,-0.2 -2,-0.2 0.861 117.6 47.3 -60.3 -42.2 46.8 -58.1 3.0 692 224 C A H >X S+ 0 0 48 -4,-2.1 4,-2.1 2,-0.2 3,-0.9 0.921 106.2 54.2 -70.2 -49.5 47.2 -54.8 1.2 693 225 C S H 3X S+ 0 0 8 -4,-2.6 4,-1.2 1,-0.3 -1,-0.2 0.696 113.9 46.1 -58.6 -19.6 48.3 -52.7 4.2 694 226 C K H 3< S+ 0 0 38 -4,-0.9 -1,-0.3 2,-0.2 -2,-0.2 0.541 103.7 58.8-101.5 -14.2 51.0 -55.3 4.7 695 227 C A H XX S+ 0 0 64 -3,-0.9 4,-1.1 -4,-0.7 3,-0.6 0.791 105.7 56.6 -73.0 -33.0 52.0 -55.4 1.0 696 228 C V H >< S+ 0 0 46 -4,-2.1 2,-2.6 1,-0.2 3,-1.2 0.996 107.8 41.2 -53.4 -76.1 52.7 -51.7 1.6 697 229 C H T 3< S+ 0 0 93 -4,-1.2 -1,-0.2 1,-0.2 -152,-0.1 -0.277 113.7 58.4 -80.5 58.3 55.2 -52.1 4.5 698 230 C K T <4 0 0 70 -2,-2.6 -1,-0.2 -3,-0.6 -2,-0.2 0.403 360.0 360.0-150.1 -43.2 57.0 -55.0 2.8 699 231 C A << 0 0 134 -3,-1.2 -3,-0.0 -4,-1.1 -4,-0.0 -0.002 360.0 360.0 -64.1 360.0 58.2 -53.8 -0.6