==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=12-JUN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ISOMERASE 13-MAY-10 2XED . COMPND 2 MOLECULE: PUTATIVE MALEATE ISOMERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: NOCARDIA FARCINICA; . AUTHOR F.FISCH,C.MARTINEZ-FLEITES,N.BAUDENDISTEL,B.HAUER,J.P.TURKEN . 988 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 36890.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 728 73.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 145 14.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 8 0.8 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 . 65 6.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 124 12.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 334 33.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 16 1.6 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 6 0 0 5 9 4 6 4 4 0 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 8 8 0 4 0 3 1 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 . 4 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 8 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 -3 A Q 0 0 260 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -75.5 22.2 -19.6 29.1 2 -2 A G - 0 0 60 1,-0.1 3,-0.1 0, 0.0 0, 0.0 -0.705 360.0 -42.6-138.3-174.0 23.4 -19.8 32.7 3 -1 A P - 0 0 120 0, 0.0 -1,-0.1 0, 0.0 2,-0.0 -0.207 66.2 -95.9 -54.4 137.4 22.8 -20.9 36.4 4 0 A A - 0 0 104 1,-0.1 0, 0.0 0, 0.0 0, 0.0 -0.308 35.7-140.3 -52.4 134.3 19.4 -20.4 38.0 5 1 A M - 0 0 120 1,-0.2 2,-0.3 -3,-0.1 -1,-0.1 0.669 15.9-149.1 -85.6 -19.8 19.5 -17.1 39.9 6 2 A G S S+ 0 0 54 2,-0.1 30,-0.5 31,-0.0 -1,-0.2 -0.695 71.8 20.3 84.7-140.3 17.6 -17.7 43.2 7 3 A I S S- 0 0 69 -2,-0.3 2,-0.7 28,-0.1 30,-0.2 -0.420 81.1-136.1 -64.0 129.6 15.8 -14.6 44.6 8 4 A R E -a 37 0A 35 28,-3.2 30,-2.2 -2,-0.1 2,-0.6 -0.831 16.7-142.7 -94.3 115.9 15.4 -12.1 41.8 9 5 A R E -a 38 0A 55 -2,-0.7 65,-2.4 28,-0.2 66,-1.0 -0.688 14.9-166.0 -87.3 117.9 16.2 -8.6 43.1 10 6 A I E -ab 39 75A 0 28,-3.1 30,-2.4 -2,-0.6 2,-0.4 -0.875 7.2-150.7-106.3 128.1 14.1 -5.7 41.8 11 7 A G E -ab 40 76A 0 64,-3.0 66,-3.0 -2,-0.5 2,-0.5 -0.809 10.5-163.2 -95.3 135.5 15.2 -2.0 42.2 12 8 A L E -ab 41 77A 0 28,-2.9 30,-2.4 -2,-0.4 2,-0.7 -0.977 11.9-163.7-124.4 122.1 12.4 0.6 42.4 13 9 A V E +ab 42 78A 2 64,-2.7 66,-2.1 -2,-0.5 67,-0.4 -0.915 33.7 172.1 -99.7 108.6 13.0 4.3 41.9 14 10 A V E -a 43 0A 0 28,-2.4 30,-2.2 -2,-0.7 -2,-0.0 -0.842 41.1 -98.7-126.4 150.0 9.9 5.8 43.5 15 11 A P E > -a 44 0A 2 0, 0.0 3,-1.4 0, 0.0 30,-0.2 -0.412 41.2-120.7 -58.1 141.9 8.4 9.1 44.4 16 12 A S T 3 S+ 0 0 0 28,-2.1 29,-0.1 1,-0.3 31,-0.1 0.871 112.8 48.4 -53.0 -42.3 8.9 9.6 48.2 17 13 A S T 3 S+ 0 0 2 29,-1.3 2,-0.3 27,-0.2 -1,-0.3 0.530 86.3 110.0 -77.4 -10.0 5.1 9.9 48.8 18 14 A N < + 0 0 1 -3,-1.4 150,-0.1 1,-0.2 182,-0.1 -0.558 26.5 155.8 -74.0 126.6 4.3 6.7 46.7 19 15 A V + 0 0 10 -2,-0.3 4,-0.3 181,-0.1 -1,-0.2 0.450 61.0 72.1-119.3 -13.4 3.1 3.8 48.8 20 16 A T S >> S+ 0 0 11 2,-0.2 4,-3.2 1,-0.2 3,-0.9 0.877 91.6 50.9 -77.9 -38.1 1.2 1.9 46.2 21 17 A V H 3> S+ 0 0 0 1,-0.3 4,-2.4 2,-0.2 -1,-0.2 0.901 107.2 53.6 -73.4 -33.3 3.9 0.5 44.0 22 18 A E H 34 S+ 0 0 11 1,-0.2 758,-0.5 2,-0.2 -1,-0.3 0.580 117.7 40.5 -73.5 -10.2 5.9 -1.0 46.9 23 19 A T H <> S+ 0 0 49 -3,-0.9 4,-1.6 -4,-0.3 -2,-0.2 0.812 119.1 41.1 -97.3 -50.5 2.6 -2.7 47.9 24 20 A E H X S+ 0 0 14 -4,-3.2 4,-2.8 2,-0.2 5,-0.2 0.844 109.0 57.0 -72.5 -37.8 1.2 -3.8 44.5 25 21 A M H X S+ 0 0 1 -4,-2.4 4,-2.4 -5,-0.3 5,-0.2 0.954 112.2 40.8 -63.6 -48.9 4.4 -5.0 42.8 26 22 A P H > S+ 0 0 38 0, 0.0 4,-1.8 0, 0.0 -1,-0.2 0.895 115.5 52.2 -65.0 -37.1 5.2 -7.6 45.5 27 23 A A H < S+ 0 0 49 -4,-1.6 4,-0.4 2,-0.2 -2,-0.2 0.935 114.2 42.0 -62.3 -45.5 1.5 -8.6 45.8 28 24 A L H >< S+ 0 0 8 -4,-2.8 3,-1.2 1,-0.2 -1,-0.2 0.959 119.2 42.7 -65.2 -52.6 1.3 -9.2 42.0 29 25 A L H >< S+ 0 0 0 -4,-2.4 3,-1.7 1,-0.3 -1,-0.2 0.661 96.2 75.4 -74.6 -19.4 4.6 -10.9 41.6 30 26 A S T 3< S+ 0 0 79 -4,-1.8 -1,-0.3 1,-0.3 -2,-0.2 0.709 90.1 62.2 -61.7 -20.3 4.3 -13.1 44.7 31 27 A R T < S+ 0 0 140 -3,-1.2 -1,-0.3 -4,-0.4 -2,-0.2 0.354 70.6 120.1 -90.1 4.8 1.8 -15.2 42.7 32 28 A H < - 0 0 13 -3,-1.7 3,-0.3 3,-0.2 207,-0.1 -0.598 57.9-149.9 -66.6 124.9 4.5 -16.2 40.1 33 29 A P S S+ 0 0 110 0, 0.0 -1,-0.2 0, 0.0 206,-0.1 0.696 86.8 32.4 -73.5 -15.3 4.5 -20.0 40.4 34 30 A G S S+ 0 0 68 202,-0.1 2,-0.3 1,-0.1 -2,-0.0 0.417 109.0 55.4-125.3 -0.5 8.2 -20.3 39.4 35 31 A A - 0 0 12 -3,-0.3 2,-0.4 -6,-0.2 -3,-0.2 -0.979 57.7-146.7-139.6 148.1 10.2 -17.3 40.6 36 32 A E - 0 0 120 -30,-0.5 -28,-3.2 -2,-0.3 2,-0.3 -0.922 20.4-161.1-116.0 145.1 10.9 -15.5 43.9 37 33 A F E -a 8 0A 28 -2,-0.4 2,-0.3 -30,-0.2 -28,-0.2 -0.881 14.3-165.0-128.8 149.5 11.4 -11.7 44.2 38 34 A S E -a 9 0A 4 -30,-2.2 -28,-3.1 -2,-0.3 2,-0.4 -0.957 16.9-143.9-127.8 157.6 12.9 -9.1 46.5 39 35 A F E -a 10 0A 35 724,-0.4 2,-0.4 -2,-0.3 -28,-0.2 -0.968 15.1-179.5-131.5 132.5 12.3 -5.4 46.3 40 36 A H E -a 11 0A 0 -30,-2.4 -28,-2.9 -2,-0.4 2,-0.3 -0.995 13.6-158.4-136.0 127.2 14.6 -2.5 47.1 41 37 A S E -a 12 0A 3 -2,-0.4 2,-0.4 -30,-0.2 -28,-0.2 -0.810 17.5-168.5-116.1 152.5 13.8 1.1 46.8 42 38 A T E -a 13 0A 0 -30,-2.4 -28,-2.4 -2,-0.3 2,-0.4 -0.989 26.3-135.8-126.3 142.2 15.4 4.5 46.4 43 39 A R E -a 14 0A 0 -2,-0.4 2,-0.4 -30,-0.2 741,-0.1 -0.808 16.9-171.2-105.3 134.9 13.2 7.7 46.9 44 40 A M E -a 15 0A 2 -30,-2.2 -28,-2.1 -2,-0.4 -27,-0.2 -0.998 40.5-110.7-116.4 126.5 13.1 10.9 44.9 45 41 A R + 0 0 101 -2,-0.4 2,-0.3 -30,-0.2 15,-0.1 -0.341 56.5 134.4 -71.2 128.9 11.0 13.5 46.8 46 42 A M + 0 0 8 762,-0.1 -29,-1.3 -2,-0.1 -28,-0.1 -0.878 16.0 157.8-161.5 141.7 7.6 14.5 45.4 47 43 A H + 0 0 89 -2,-0.3 120,-2.8 1,-0.2 2,-0.5 0.359 69.9 66.8-135.7 -7.8 4.1 15.0 46.9 48 44 A T B S-D 166 0B 53 118,-0.2 2,-1.6 119,-0.1 -1,-0.2 -0.978 70.6-146.2-119.9 121.8 2.6 17.3 44.3 49 45 A V + 0 0 8 116,-3.3 89,-0.4 -2,-0.5 92,-0.1 -0.642 57.8 117.4 -91.0 79.7 1.9 15.9 40.8 50 46 A S S > S- 0 0 33 -2,-1.6 4,-3.2 1,-0.1 5,-0.3 -0.914 82.7 -94.3-138.4 161.9 2.6 19.1 38.9 51 47 A P H > S+ 0 0 91 0, 0.0 4,-2.1 0, 0.0 5,-0.1 0.909 128.2 41.2 -45.5 -47.2 5.1 20.2 36.3 52 48 A E H > S+ 0 0 135 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.891 113.3 51.5 -74.1 -38.0 7.2 21.7 39.0 53 49 A G H > S+ 0 0 16 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.928 114.4 45.0 -59.8 -44.0 6.8 18.7 41.5 54 50 A L H X S+ 0 0 0 -4,-3.2 4,-3.0 2,-0.2 -2,-0.2 0.859 111.7 51.4 -69.5 -39.1 7.8 16.3 38.7 55 51 A A H X S+ 0 0 48 -4,-2.1 4,-1.9 -5,-0.3 -2,-0.2 0.944 111.5 47.4 -62.9 -48.0 10.8 18.4 37.6 56 52 A A H < S+ 0 0 51 -4,-2.6 4,-0.2 1,-0.2 -2,-0.2 0.891 115.0 47.5 -58.0 -42.2 12.1 18.6 41.1 57 53 A M H >< S+ 0 0 0 -4,-2.1 3,-1.9 -5,-0.2 -2,-0.2 0.946 109.4 51.2 -64.5 -49.2 11.6 14.9 41.5 58 54 A N H >< S+ 0 0 45 -4,-3.0 3,-2.0 1,-0.3 4,-0.2 0.823 97.5 69.0 -60.0 -31.9 13.3 14.0 38.1 59 55 A A T 3< S+ 0 0 79 -4,-1.9 -1,-0.3 1,-0.3 4,-0.3 0.641 92.1 61.4 -62.3 -12.2 16.3 16.1 39.1 60 56 A Q T <> S+ 0 0 75 -3,-1.9 4,-2.6 -4,-0.2 -1,-0.3 0.412 73.0 103.4 -92.3 4.9 17.1 13.4 41.8 61 57 A R H <> S+ 0 0 50 -3,-2.0 4,-2.7 1,-0.2 5,-0.2 0.919 78.1 49.6 -54.5 -52.2 17.5 10.7 39.2 62 58 A E H > S+ 0 0 124 -3,-0.3 4,-1.8 1,-0.2 -1,-0.2 0.897 111.9 48.9 -59.2 -44.0 21.3 10.6 39.3 63 59 A R H > S+ 0 0 51 -4,-0.3 4,-1.8 1,-0.2 -1,-0.2 0.953 112.8 47.2 -56.2 -51.5 21.3 10.4 43.1 64 60 A C H X S+ 0 0 0 -4,-2.6 4,-2.6 1,-0.2 5,-0.3 0.886 108.2 55.3 -60.8 -41.1 18.7 7.6 43.2 65 61 A V H X S+ 0 0 3 -4,-2.7 4,-2.4 1,-0.2 -1,-0.2 0.919 107.4 48.8 -59.5 -45.9 20.5 5.5 40.5 66 62 A L H X S+ 0 0 78 -4,-1.8 4,-1.1 -5,-0.2 -1,-0.2 0.893 113.0 49.8 -60.9 -39.3 23.8 5.5 42.5 67 63 A E H < S+ 0 0 2 -4,-1.8 3,-0.5 1,-0.2 4,-0.3 0.947 114.9 39.9 -64.9 -52.2 21.9 4.4 45.6 68 64 A I H >< S+ 0 0 0 -4,-2.6 3,-1.6 1,-0.2 -1,-0.2 0.815 106.5 64.7 -73.9 -29.6 20.0 1.6 44.1 69 65 A A H >< S+ 0 0 23 -4,-2.4 3,-2.1 -5,-0.3 -1,-0.2 0.845 91.0 66.8 -57.2 -36.2 23.0 0.4 42.0 70 66 A D T 3< S+ 0 0 32 -4,-1.1 -1,-0.3 -3,-0.5 -2,-0.2 0.723 95.3 57.0 -56.0 -24.6 24.7 -0.4 45.3 71 67 A A T < S- 0 0 8 -3,-1.6 -1,-0.3 -4,-0.3 -2,-0.2 0.429 103.2-134.8 -87.6 -1.9 22.2 -3.1 45.9 72 68 A A < - 0 0 67 -3,-2.1 -63,-0.2 -4,-0.2 -3,-0.1 0.880 33.5-176.2 47.2 51.9 23.1 -4.9 42.5 73 69 A P - 0 0 5 0, 0.0 -63,-0.2 0, 0.0 -1,-0.1 -0.376 31.2-131.1 -72.4 159.2 19.5 -5.4 41.5 74 70 A E S S+ 0 0 46 -65,-2.4 37,-2.6 1,-0.3 2,-0.3 0.853 90.6 13.6 -71.7 -41.1 18.9 -7.3 38.2 75 71 A V E -bc 10 111A 0 -66,-1.0 -64,-3.0 35,-0.2 2,-0.4 -0.990 67.6-151.5-136.2 147.9 16.4 -4.7 36.9 76 72 A I E -bc 11 112A 3 35,-2.1 37,-3.1 -2,-0.3 2,-0.6 -0.970 10.8-152.2-122.8 130.6 15.6 -1.2 38.0 77 73 A L E -bc 12 113A 0 -66,-3.0 -64,-2.7 -2,-0.4 2,-1.1 -0.909 10.9-148.3-108.8 121.1 12.2 0.4 37.4 78 74 A Y E -bc 13 114A 6 35,-2.7 37,-2.4 -2,-0.6 38,-0.4 -0.763 27.8-165.2 -82.8 100.8 11.7 4.1 37.0 79 75 A A + 0 0 0 -66,-2.1 2,-0.6 -2,-1.1 120,-0.2 0.767 54.5 83.0 -73.8 -37.0 8.3 4.0 38.6 80 76 A C > - 0 0 13 -67,-0.4 4,-0.7 1,-0.2 36,-0.2 -0.603 52.1-170.7 -81.0 115.4 6.5 7.2 37.9 81 77 A L H >> S+ 0 0 0 -2,-0.6 4,-2.5 116,-0.2 3,-0.9 0.914 85.1 46.7 -69.6 -46.4 4.9 7.2 34.4 82 78 A V H 3> S+ 0 0 1 1,-0.3 4,-2.7 2,-0.2 -1,-0.2 0.815 101.4 67.5 -70.9 -28.6 3.9 10.8 34.1 83 79 A A H 34 S+ 0 0 4 2,-0.2 -1,-0.3 1,-0.2 -2,-0.2 0.798 112.1 33.9 -54.5 -35.6 7.3 11.9 35.3 84 80 A V H X< S+ 0 0 0 -3,-0.9 3,-1.6 -4,-0.7 -2,-0.2 0.890 117.6 51.1 -84.8 -50.3 8.6 10.5 32.0 85 81 A M H >< S+ 0 0 0 -4,-2.5 3,-1.8 1,-0.3 -2,-0.2 0.748 95.4 70.0 -68.7 -23.9 5.7 11.3 29.7 86 82 A V T 3< S+ 0 0 33 -4,-2.7 -1,-0.3 1,-0.3 -3,-0.1 0.793 89.5 66.4 -58.0 -26.0 5.5 15.0 30.8 87 83 A G T < S- 0 0 45 -3,-1.6 -1,-0.3 1,-0.2 -2,-0.2 0.501 112.0-116.8 -76.2 -5.2 8.9 15.4 28.9 88 84 A G X - 0 0 18 -3,-1.8 3,-1.9 -4,-0.1 -1,-0.2 -0.112 56.0 -13.1 94.0 171.3 7.1 14.6 25.6 89 85 A P T 3 S+ 0 0 32 0, 0.0 559,-0.3 0, 0.0 558,-0.1 -0.035 127.9 16.8 -46.4 138.1 7.3 11.9 22.9 90 86 A G T >> S+ 0 0 2 557,-0.2 4,-1.3 58,-0.2 3,-1.1 0.332 83.9 126.4 85.5 -6.5 10.3 9.6 23.1 91 87 A E H <> + 0 0 45 -3,-1.9 4,-2.8 1,-0.3 5,-0.2 0.827 63.6 61.5 -60.9 -34.9 11.2 10.6 26.7 92 88 A H H 3> S+ 0 0 13 1,-0.2 4,-2.7 2,-0.2 -1,-0.3 0.858 103.7 51.7 -61.0 -31.5 11.3 7.0 28.1 93 89 A H H <> S+ 0 0 42 -3,-1.1 4,-2.2 2,-0.2 -1,-0.2 0.905 111.1 46.8 -70.6 -41.7 14.1 6.2 25.7 94 90 A R H X S+ 0 0 58 -4,-1.3 4,-2.0 2,-0.2 -2,-0.2 0.916 116.8 44.0 -61.8 -42.9 16.1 9.3 26.8 95 91 A V H X S+ 0 0 14 -4,-2.8 4,-2.5 2,-0.2 -2,-0.2 0.963 115.1 47.2 -70.7 -49.5 15.5 8.5 30.5 96 92 A E H X S+ 0 0 37 -4,-2.7 4,-2.5 -5,-0.2 -1,-0.2 0.903 114.2 47.6 -57.5 -43.3 16.2 4.7 30.2 97 93 A S H X S+ 0 0 29 -4,-2.2 4,-2.5 -5,-0.2 -1,-0.2 0.876 109.5 53.0 -68.6 -37.2 19.4 5.4 28.2 98 94 A A H X S+ 0 0 28 -4,-2.0 4,-2.2 -5,-0.2 -2,-0.2 0.931 112.3 45.6 -62.8 -42.5 20.6 8.0 30.7 99 95 A V H X S+ 0 0 3 -4,-2.5 4,-2.6 2,-0.2 -2,-0.2 0.917 112.1 50.7 -65.7 -44.4 20.1 5.5 33.5 100 96 A A H X S+ 0 0 47 -4,-2.5 4,-2.5 1,-0.2 -2,-0.2 0.912 111.7 48.2 -61.8 -41.8 21.8 2.6 31.6 101 97 A E H X S+ 0 0 77 -4,-2.5 4,-2.1 2,-0.2 -1,-0.2 0.895 111.5 48.7 -66.2 -44.0 24.8 4.9 30.8 102 98 A Q H X S+ 0 0 25 -4,-2.2 4,-0.8 2,-0.2 -2,-0.2 0.918 112.5 49.0 -60.3 -45.4 25.2 6.0 34.4 103 99 A L H ><>S+ 0 0 4 -4,-2.6 5,-2.6 1,-0.2 3,-0.7 0.912 110.1 52.0 -60.5 -41.3 25.0 2.4 35.6 104 100 A A H ><5S+ 0 0 69 -4,-2.5 3,-1.4 1,-0.2 -1,-0.2 0.861 103.3 56.7 -65.2 -36.7 27.6 1.5 33.0 105 101 A T H 3<5S+ 0 0 113 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.710 110.5 46.7 -67.2 -19.6 30.0 4.2 34.2 106 102 A G T <<5S- 0 0 65 -4,-0.8 -1,-0.3 -3,-0.7 -2,-0.2 0.289 120.5-105.9-103.3 8.1 29.8 2.6 37.7 107 103 A G T < 5 + 0 0 56 -3,-1.4 2,-0.3 1,-0.2 -3,-0.2 0.619 68.9 147.9 78.2 15.2 30.3 -1.0 36.6 108 104 A S < - 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0 0 63 -3,-1.9 -63,-0.2 -4,-0.2 -3,-0.1 0.898 34.9-173.8 49.5 49.8 -11.1 -54.1 16.4 322 69 B P - 0 0 4 0, 0.0 -63,-0.2 0, 0.0 -1,-0.1 -0.399 28.7-135.9 -68.2 152.0 -10.7 -50.6 17.8 323 70 B E S S+ 0 0 46 -65,-2.4 37,-2.4 1,-0.3 2,-0.3 0.806 89.8 14.4 -74.3 -32.6 -8.5 -50.3 20.9 324 71 B V E -ij 259 360D 0 -66,-1.1 -64,-3.2 35,-0.2 2,-0.5 -0.996 67.2-151.0-141.3 145.0 -11.1 -47.9 22.6 325 72 B I E -ij 260 361D 3 35,-2.8 37,-3.2 -2,-0.3 2,-0.6 -0.972 10.1-156.3-118.5 128.0 -14.8 -47.1 21.8 326 73 B L E -ij 261 362D 0 -66,-2.9 -64,-3.0 -2,-0.5 2,-1.0 -0.918 11.9-147.5-104.0 121.3 -16.2 -43.7 22.7 327 74 B Y E -ij 262 363D 8 35,-2.5 37,-2.3 -2,-0.6 38,-0.4 -0.804 27.6-162.4 -81.8 102.3 -20.0 -43.3 23.1 328 75 B A + 0 0 0 -66,-1.9 2,-0.7 -2,-1.0 120,-0.2 0.764 55.7 83.3 -73.3 -37.2 -19.9 -39.8 21.8 329 76 B C > - 0 0 14 -67,-0.5 4,-0.6 1,-0.2 36,-0.2 -0.606 52.2-169.4 -80.5 113.7 -23.2 -38.0 22.8 330 77 B L H >> S+ 0 0 0 -2,-0.7 4,-2.2 116,-0.2 3,-1.2 0.936 86.1 46.7 -60.0 -53.2 -22.9 -36.6 26.4 331 78 B V H 3> S+ 0 0 1 1,-0.3 4,-2.4 2,-0.2 5,-0.2 0.827 100.8 67.0 -69.0 -30.6 -26.5 -35.6 26.9 332 79 B A H 34 S+ 0 0 3 1,-0.2 -1,-0.3 2,-0.2 -2,-0.2 0.800 112.3 34.7 -54.3 -31.3 -27.7 -39.0 25.5 333 80 B V H X< S+ 0 0 0 -3,-1.2 3,-1.1 -4,-0.6 -2,-0.2 0.847 116.3 51.7 -92.6 -41.1 -26.1 -40.5 28.6 334 81 B M H >< S+ 0 0 0 -4,-2.2 3,-1.8 1,-0.3 -2,-0.2 0.760 94.7 70.5 -71.7 -25.1 -26.8 -37.8 31.2 335 82 B V T 3< S+ 0 0 29 -4,-2.4 -1,-0.3 1,-0.3 -2,-0.1 0.743 89.0 67.5 -58.5 -24.4 -30.5 -37.6 30.4 336 83 B G T < S- 0 0 42 -3,-1.1 -1,-0.3 1,-0.2 -2,-0.2 0.581 108.8-123.2 -72.9 -12.0 -30.7 -41.1 32.1 337 84 B G X - 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