==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=24-JUL-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LYASE 23-OCT-09 3KDY . COMPND 2 MOLECULE: HISTIDINE AMMONIA-LYASE; . SOURCE 2 ORGANISM_SCIENTIFIC: STREPTOMYCES GLOBISPORUS; . AUTHOR H.A.COOKE,S.D.BRUNER . 1054 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 34978.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 776 73.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 14 1.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 40 3.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 4 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 4 0.4 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 . 57 5.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 116 11.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 491 46.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 25 2.4 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 0 3 0 3 2 0 9 3 3 0 2 1 0 1 1 0 0 0 2 0 0 0 0 0 2 4 RESIDUES PER ALPHA HELIX . 4 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 0 PARALLEL BRIDGES PER LADDER . 7 2 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 ANTIPARALLEL BRIDGES PER LADDER . 5 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 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 11 A V 0 0 159 0, 0.0 23,-0.1 0, 0.0 22,-0.0 0.000 360.0 360.0 360.0 -17.1 -1.9 33.5 48.7 2 12 A P - 0 0 69 0, 0.0 2,-0.4 0, 0.0 23,-0.2 -0.249 360.0-124.6 -62.6 150.8 -5.1 31.6 48.3 3 13 A V E -a 25 0A 12 21,-3.6 23,-3.4 11,-0.1 2,-0.6 -0.833 20.0-134.6-100.3 136.0 -6.2 30.5 44.8 4 14 A S E -a 26 0A 43 -2,-0.4 2,-1.3 21,-0.3 23,-0.2 -0.787 6.1-154.8 -99.9 126.1 -9.6 31.5 43.5 5 15 A V + 0 0 2 21,-1.3 118,-0.1 -2,-0.6 20,-0.0 -0.680 40.8 141.9 -91.8 82.4 -11.9 29.1 41.8 6 16 A D - 0 0 16 -2,-1.3 -1,-0.2 21,-0.1 21,-0.1 0.536 65.2-118.7 -98.8 -10.9 -13.9 31.6 39.7 7 17 A G S S+ 0 0 0 -3,-0.2 -2,-0.1 102,-0.0 20,-0.0 0.683 101.0 59.1 79.9 19.8 -14.2 29.4 36.6 8 18 A E S S+ 0 0 80 317,-0.0 316,-0.1 315,-0.0 -3,-0.1 0.479 107.9 31.1-146.1 -25.1 -12.3 31.8 34.4 9 19 A T S S+ 0 0 92 -5,-0.2 -4,-0.1 314,-0.1 315,-0.1 0.526 79.1 126.1-117.5 -14.7 -8.8 32.4 35.8 10 20 A L - 0 0 5 313,-0.1 2,-0.2 95,-0.1 314,-0.1 -0.236 44.0-162.6 -52.2 126.5 -8.0 29.1 37.4 11 21 A T > - 0 0 58 1,-0.1 4,-2.0 312,-0.1 5,-0.1 -0.683 31.7-109.5-114.3 167.3 -4.7 27.8 36.1 12 22 A V H > S+ 0 0 5 -2,-0.2 4,-2.3 2,-0.2 3,-0.4 0.957 119.8 48.8 -55.0 -57.3 -2.8 24.5 36.0 13 23 A E H > S+ 0 0 78 1,-0.3 4,-3.0 2,-0.2 5,-0.3 0.903 108.9 54.3 -51.3 -45.1 -0.2 25.7 38.5 14 24 A A H > S+ 0 0 3 1,-0.2 4,-1.5 2,-0.2 -1,-0.3 0.886 108.2 49.6 -57.3 -39.9 -3.0 26.9 40.7 15 25 A V H X S+ 0 0 1 -4,-2.0 4,-3.0 -3,-0.4 5,-0.3 0.897 111.8 48.9 -65.9 -40.8 -4.5 23.4 40.6 16 26 A R H X>S+ 0 0 18 -4,-2.3 4,-4.3 2,-0.2 5,-0.5 0.968 112.4 45.3 -62.9 -55.6 -1.1 21.9 41.4 17 27 A R H <5S+ 0 0 99 -4,-3.0 6,-2.3 3,-0.2 -1,-0.2 0.788 116.6 49.1 -60.1 -27.5 -0.4 24.1 44.4 18 28 A V H <5S+ 0 0 4 -4,-1.5 4,-0.2 -5,-0.3 -2,-0.2 0.923 121.2 31.8 -77.6 -47.0 -4.0 23.5 45.5 19 29 A A H <5S+ 0 0 0 -4,-3.0 -2,-0.2 3,-0.1 78,-0.2 0.822 135.1 30.6 -79.4 -32.5 -3.9 19.8 45.2 20 30 A E T <5S+ 0 0 57 -4,-4.3 -3,-0.2 -5,-0.3 -2,-0.1 0.940 126.1 36.2 -87.8 -70.5 -0.2 19.5 46.1 21 31 A E S > - 0 0 15 0, 0.0 3,-2.1 0, 0.0 4,-1.5 -0.116 17.4-121.2 -45.0 122.9 -15.1 35.2 44.5 29 39 A A H 3> S+ 0 0 68 1,-0.3 4,-3.5 2,-0.2 5,-0.3 0.735 112.6 70.6 -37.1 -28.3 -18.6 36.2 45.6 30 40 A E H 3> S+ 0 0 132 1,-0.2 4,-1.7 2,-0.2 -1,-0.3 0.960 102.0 40.3 -56.2 -53.2 -19.0 37.3 42.0 31 41 A S H <> S+ 0 0 3 -3,-2.1 4,-2.6 2,-0.2 -1,-0.2 0.861 114.3 55.7 -62.1 -37.2 -19.0 33.6 41.0 32 42 A I H X S+ 0 0 35 -4,-1.5 4,-1.6 1,-0.2 -2,-0.2 0.945 109.4 44.1 -60.7 -49.5 -21.2 32.9 44.0 33 43 A A H X S+ 0 0 59 -4,-3.5 4,-3.9 2,-0.2 -1,-0.2 0.791 111.5 55.4 -66.8 -28.9 -23.8 35.5 43.0 34 44 A K H X S+ 0 0 81 -4,-1.7 4,-3.2 -5,-0.3 -1,-0.2 0.937 107.1 48.0 -68.2 -46.6 -23.6 34.2 39.4 35 45 A A H X S+ 0 0 2 -4,-2.6 4,-3.9 2,-0.2 -2,-0.2 0.832 114.8 49.2 -61.3 -31.5 -24.4 30.7 40.6 36 46 A Q H X S+ 0 0 103 -4,-1.6 4,-2.0 2,-0.2 5,-0.3 0.971 106.0 52.9 -70.3 -56.2 -27.2 32.4 42.5 37 47 A K H >X S+ 0 0 67 -4,-3.9 4,-1.7 2,-0.2 3,-0.9 0.954 120.4 36.9 -42.5 -58.7 -28.4 34.3 39.6 38 48 A S H 3X S+ 0 0 0 -4,-3.2 4,-2.2 1,-0.2 3,-0.5 0.982 113.3 53.8 -54.1 -67.2 -28.5 30.9 37.8 39 49 A R H 3< S+ 0 0 9 -4,-3.9 4,-0.4 75,-0.4 -1,-0.2 0.611 111.2 53.1 -46.4 -14.9 -29.7 28.8 40.8 40 50 A E H X S+ 0 0 86 -4,-1.7 4,-1.4 -3,-0.5 3,-0.8 0.949 117.9 53.4 -68.8 -51.1 -34.0 31.3 37.6 42 52 A F H >X S+ 0 0 1 -4,-2.2 4,-2.0 1,-0.3 3,-1.6 0.949 101.7 55.6 -50.6 -63.2 -33.4 27.6 36.9 43 53 A E H 3> S+ 0 0 61 -4,-0.4 4,-1.0 -5,-0.3 -1,-0.3 0.806 106.4 55.7 -41.9 -33.8 -35.1 26.2 39.9 44 54 A G H S+ 0 0 35 -3,-1.6 5,-0.9 -4,-1.4 3,-0.5 0.908 108.2 51.9 -62.4 -43.6 -38.0 26.4 35.4 46 56 A A H ><5S+ 0 0 0 -4,-2.0 3,-1.0 1,-0.2 -1,-0.2 0.758 102.1 62.8 -65.0 -24.3 -37.9 23.0 37.1 47 57 A E H 3<5S+ 0 0 91 -4,-1.0 -1,-0.2 -5,-0.4 -2,-0.2 0.872 91.6 62.3 -68.0 -37.8 -40.9 24.1 39.1 48 58 A Q T <<5S- 0 0 135 -4,-1.2 -1,-0.3 -3,-0.5 -2,-0.2 0.565 110.7-127.7 -64.2 -5.9 -43.0 24.4 35.9 49 59 A N T < 5 + 0 0 31 -3,-1.0 -3,-0.2 1,-0.2 -2,-0.1 0.874 50.9 162.1 59.4 39.9 -42.2 20.6 35.6 50 60 A I < - 0 0 6 -5,-0.9 -1,-0.2 1,-0.1 751,-0.1 -0.720 49.5 -83.2 -93.6 142.0 -40.9 21.0 32.1 51 61 A P + 0 0 0 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 -0.032 56.8 163.6 -40.8 135.8 -38.7 18.3 30.5 52 62 A I >> - 0 0 0 -3,-0.1 4,-3.5 -6,-0.0 3,-0.6 -0.798 42.0-109.1-163.4 115.0 -35.1 18.6 31.4 53 63 A Y T 34 S- 0 0 9 1,-0.3 2,-0.8 -2,-0.2 6,-0.1 -0.177 101.8 -3.7 -49.3 128.0 -32.3 16.0 31.0 54 64 A G T 34 S+ 0 0 0 4,-0.9 132,-0.3 1,-0.2 -1,-0.3 -0.096 131.0 66.7 80.4 -38.2 -31.3 14.6 34.4 55 65 A V T <4 S+ 0 0 2 -2,-0.8 -2,-0.2 -3,-0.6 -1,-0.2 0.936 126.1 0.6 -78.9 -51.0 -33.6 17.1 36.2 56 66 A T S < S+ 0 0 0 -4,-3.5 11,-0.5 2,-0.1 2,-0.3 -0.102 127.5 54.8-131.0 35.1 -36.9 15.7 35.0 57 67 A T S S- 0 0 0 -5,-0.4 9,-0.3 9,-0.3 6,-0.2 -0.962 84.6 -84.7-157.0 169.9 -35.9 12.8 32.9 58 68 A G - 0 0 9 7,-2.3 -4,-0.9 4,-0.9 2,-0.4 -0.038 47.6-103.1 -70.5-179.2 -33.9 9.5 32.8 59 69 A Y S > S- 0 0 32 -6,-0.1 3,-1.6 -5,-0.1 2,-0.3 -0.917 73.4 -25.5-115.3 137.5 -30.1 9.4 32.1 60 70 A G G > S+ 0 0 5 -2,-0.4 3,-1.5 1,-0.3 4,-0.1 -0.505 138.4 2.2 69.2-125.0 -28.5 8.3 28.9 61 71 A A G > S+ 0 0 22 -2,-0.3 3,-0.7 1,-0.3 -1,-0.3 0.643 126.6 70.7 -69.0 -13.9 -30.7 5.9 26.9 62 72 A M G X + 0 0 86 -3,-1.6 3,-3.0 1,-0.2 -4,-0.9 0.353 62.0 108.9 -84.8 7.1 -33.4 6.4 29.6 63 73 A I G < + 0 0 2 -3,-1.5 757,-0.3 1,-0.3 -1,-0.2 0.761 67.8 68.1 -53.8 -25.0 -33.9 10.0 28.4 64 74 A Y G < S+ 0 0 47 -3,-0.7 752,-2.3 -7,-0.1 2,-0.4 0.683 84.3 86.6 -69.3 -18.8 -37.3 8.7 27.2 65 75 A M E < S-B 815 0B 25 -3,-3.0 -7,-2.3 750,-0.2 2,-0.5 -0.701 71.1-150.3 -85.0 135.0 -38.3 8.3 30.8 66 76 A Q E -B 814 0B 0 748,-3.0 748,-1.7 -2,-0.4 2,-0.7 -0.927 3.0-152.8-111.8 119.9 -39.8 11.4 32.4 67 77 A V E -B 813 0B 22 -2,-0.5 746,-0.1 -11,-0.5 4,-0.1 -0.789 17.1-129.3 -96.6 114.2 -39.4 11.9 36.1 68 78 A D > - 0 0 19 -2,-0.7 3,-1.6 744,-0.6 -11,-0.1 -0.298 25.6-114.3 -59.0 137.2 -42.1 14.0 37.9 69 79 A K G > S+ 0 0 69 1,-0.3 3,-3.0 2,-0.2 4,-0.2 0.730 105.1 84.9 -42.2 -32.6 -40.7 16.8 40.0 70 80 A S G 3 S+ 0 0 76 1,-0.3 -1,-0.3 2,-0.1 4,-0.1 0.508 93.8 48.2 -54.4 -1.3 -42.0 15.2 43.2 71 81 A K G <> + 0 0 70 -3,-1.6 4,-2.2 -4,-0.1 5,-0.3 0.122 66.4 127.4-127.2 19.5 -38.8 13.1 43.0 72 82 A E H <> S+ 0 0 28 -3,-3.0 4,-1.4 1,-0.2 114,-0.2 0.881 81.7 44.2 -42.3 -47.7 -36.2 15.9 42.5 73 83 A V H > S+ 0 0 60 -4,-0.2 4,-1.1 2,-0.2 -1,-0.2 0.957 114.2 45.3 -66.7 -55.1 -34.3 14.5 45.5 74 84 A E H >> S+ 0 0 106 1,-0.2 4,-2.8 2,-0.2 3,-1.8 0.965 109.7 54.3 -54.2 -60.0 -34.4 10.8 44.8 75 85 A L H 3X S+ 0 0 18 -4,-2.2 4,-2.0 1,-0.3 -1,-0.2 0.889 110.1 46.3 -40.7 -56.5 -33.5 11.0 41.1 76 86 A Q H 3X S+ 0 0 0 -4,-1.4 4,-1.0 -5,-0.3 -1,-0.3 0.721 115.2 49.9 -63.1 -21.2 -30.4 13.0 41.8 77 87 A T H < S+ 0 0 132 -4,-1.8 3,-2.1 2,-0.2 -2,-0.2 0.974 115.1 43.4 -74.9 -58.9 -25.2 5.9 43.8 82 92 A S H 3< S+ 0 0 83 -4,-2.8 -2,-0.2 1,-0.3 -3,-0.2 0.790 115.0 52.3 -58.4 -29.8 -25.8 3.6 40.9 83 93 A H T 3< S+ 0 0 64 -4,-1.8 2,-1.2 -5,-0.4 -1,-0.3 0.349 80.4 97.6 -90.5 6.2 -23.1 5.3 38.9 84 94 A S < + 0 0 31 -3,-2.1 -1,-0.2 1,-0.2 61,-0.1 -0.361 43.1 128.9 -88.5 54.4 -20.6 4.9 41.7 85 95 A A + 0 0 67 -2,-1.2 2,-0.2 53,-0.1 -1,-0.2 -0.199 28.1 152.7-103.4 40.1 -19.2 1.8 40.0 86 96 A G - 0 0 16 59,-0.3 2,-0.2 58,-0.1 52,-0.2 -0.523 19.2-178.2 -73.7 134.2 -15.5 2.9 40.1 87 97 A V E +C 137 0C 86 50,-2.7 50,-2.5 -2,-0.2 -2,-0.0 -0.776 33.6 42.3-127.6 172.2 -13.0 0.1 40.2 88 98 A G E S- 0 0 49 -2,-0.2 -2,-0.0 48,-0.2 0, 0.0 -0.422 96.5 -15.4 89.5-166.9 -9.2 -0.3 40.4 89 99 A P E S- 0 0 74 0, 0.0 47,-3.7 0, 0.0 2,-0.4 -0.242 71.7-106.6 -69.2 159.9 -6.8 1.6 42.6 90 100 A L E -C 135 0C 57 45,-0.3 43,-0.1 74,-0.2 -2,-0.0 -0.723 35.6-110.4 -90.6 137.2 -7.7 4.8 44.5 91 101 A F - 0 0 2 43,-3.4 43,-0.2 -2,-0.4 -1,-0.1 -0.200 39.4 -99.7 -60.1 154.8 -6.2 8.1 43.2 92 102 A A > - 0 0 38 1,-0.1 4,-3.1 41,-0.1 5,-0.2 -0.291 34.7-103.1 -72.3 164.3 -3.6 9.8 45.3 93 103 A E H > S+ 0 0 100 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.912 123.3 44.5 -53.9 -49.3 -4.6 12.7 47.6 94 104 A D H > S+ 0 0 44 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.914 113.2 51.5 -64.3 -43.4 -3.1 15.3 45.2 95 105 A E H > S+ 0 0 17 2,-0.2 4,-1.2 1,-0.2 -2,-0.2 0.951 114.4 43.0 -55.8 -53.0 -4.7 13.6 42.2 96 106 A A H >X S+ 0 0 0 -4,-3.1 4,-2.9 1,-0.2 3,-1.2 0.959 113.9 49.6 -59.0 -54.7 -8.1 13.6 43.8 97 107 A R H 3X S+ 0 0 4 -4,-2.9 4,-1.9 1,-0.3 -1,-0.2 0.871 107.6 56.3 -52.7 -39.4 -7.8 17.1 45.2 98 108 A A H 3X S+ 0 0 0 -4,-2.5 4,-1.4 -5,-0.2 -1,-0.3 0.815 112.0 43.2 -63.0 -30.7 -6.7 18.2 41.7 99 109 A I H < S+ 0 0 2 -4,-1.2 3,-1.6 -5,-0.3 4,-0.4 0.958 110.0 45.3 -70.1 -52.8 -16.4 24.4 36.5 107 117 A L H >< S+ 0 0 1 -4,-2.1 3,-1.0 1,-0.3 5,-0.4 0.769 104.7 66.1 -62.0 -24.9 -19.5 24.9 38.7 108 118 A A H 3< S+ 0 0 0 -4,-2.0 -1,-0.3 1,-0.2 -2,-0.2 0.760 80.6 78.3 -68.1 -24.7 -18.1 28.3 39.5 109 119 A K T << S- 0 0 16 -3,-1.6 -1,-0.2 -4,-0.5 -2,-0.2 0.854 103.0-129.5 -52.2 -35.4 -18.5 29.3 35.9 110 120 A G S < S+ 0 0 2 -3,-1.0 -72,-0.1 -4,-0.4 -2,-0.1 0.737 82.3 97.3 92.2 26.8 -22.2 29.7 36.8 111 121 A H + 0 0 26 -5,-0.4 221,-2.6 -4,-0.1 -4,-0.1 0.356 60.9 79.5-122.4 0.2 -23.9 27.7 34.1 112 122 A S S S- 0 0 0 -5,-0.4 3,-0.1 219,-0.2 78,-0.1 0.515 88.0-138.1 -87.3 -5.8 -24.5 24.5 36.0 113 123 A A + 0 0 1 219,-0.2 2,-0.3 1,-0.2 -70,-0.1 0.827 50.8 148.0 52.6 36.3 -27.5 25.9 37.8 114 124 A V - 0 0 3 -7,-0.2 -75,-0.4 1,-0.1 -1,-0.2 -0.701 56.5 -91.4-100.3 154.5 -26.4 24.3 41.0 115 125 A R >> - 0 0 42 -2,-0.3 3,-2.4 1,-0.1 4,-0.7 -0.348 32.4-123.3 -61.7 140.4 -27.0 25.7 44.5 116 126 A P H 3> S+ 0 0 17 0, 0.0 4,-2.0 0, 0.0 3,-0.4 0.787 110.2 70.5 -56.0 -28.5 -24.1 27.9 45.8 117 127 A I H 3> S+ 0 0 49 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.763 90.5 62.9 -60.3 -24.0 -23.8 25.5 48.8 118 128 A I H <> S+ 0 0 2 -3,-2.4 4,-2.0 2,-0.2 -1,-0.2 0.935 106.3 40.9 -65.6 -47.6 -22.5 23.1 46.2 119 129 A L H X S+ 0 0 2 -4,-0.7 4,-2.4 -3,-0.4 -2,-0.2 0.807 116.7 51.3 -70.0 -29.8 -19.5 25.3 45.5 120 130 A E H X S+ 0 0 84 -4,-2.0 4,-1.2 2,-0.2 -2,-0.2 0.854 110.0 48.5 -74.4 -36.5 -19.2 26.1 49.2 121 131 A R H X S+ 0 0 29 -4,-2.6 4,-2.0 2,-0.2 -2,-0.2 0.869 117.1 42.0 -71.0 -38.0 -19.2 22.4 50.1 122 132 A L H X S+ 0 0 1 -4,-2.0 4,-1.7 2,-0.2 -2,-0.2 0.927 112.9 51.5 -73.9 -47.5 -16.6 21.6 47.5 123 133 A A H X S+ 0 0 8 -4,-2.4 4,-0.9 1,-0.2 -98,-0.4 0.796 111.9 51.3 -59.7 -28.5 -14.4 24.6 48.2 124 134 A Q H >X S+ 0 0 52 -4,-1.2 4,-1.9 2,-0.2 3,-1.6 0.984 102.0 55.7 -71.5 -62.0 -14.5 23.6 51.9 125 135 A Y H 3<>S+ 0 0 3 -4,-2.0 5,-2.4 1,-0.3 3,-0.4 0.847 109.0 49.8 -36.5 -49.8 -13.5 20.0 51.5 126 136 A L H ><5S+ 0 0 5 -4,-1.7 3,-0.6 1,-0.2 -1,-0.3 0.839 114.1 44.5 -63.0 -35.0 -10.3 21.1 49.7 127 137 A N H <<5S+ 0 0 64 -3,-1.6 -1,-0.2 -4,-0.9 -2,-0.2 0.629 114.2 50.0 -85.1 -14.9 -9.6 23.6 52.4 128 138 A E T 3<5S- 0 0 71 -4,-1.9 -1,-0.2 -3,-0.4 -2,-0.2 0.003 111.8-110.1-114.0 28.1 -10.3 21.2 55.3 129 139 A G T < 5 + 0 0 52 -3,-0.6 2,-0.8 -5,-0.2 -3,-0.2 0.757 68.6 143.9 50.1 33.4 -8.2 18.2 54.1 130 140 A I < - 0 0 7 -5,-2.4 -1,-0.2 -6,-0.2 -2,-0.1 -0.816 24.7-180.0-105.1 94.0 -11.3 16.1 53.3 131 141 A T - 0 0 5 -2,-0.8 30,-3.1 30,-0.5 2,-0.1 -0.797 20.6-131.1 -99.4 133.9 -10.3 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52.4 -71.2 -50.9 29.8 19.8 30.0 226 238 A A H 3<5S+ 0 0 0 -4,-3.0 -1,-0.2 1,-0.3 -2,-0.2 0.651 115.3 44.4 -60.5 -15.5 31.2 16.7 31.8 227 239 A V T 3<5S- 0 0 8 -4,-1.4 -1,-0.3 -5,-0.2 -2,-0.2 0.419 113.3-119.0-107.8 -3.3 31.8 15.3 28.3 228 240 A R T < 5 + 0 0 98 -3,-1.8 -3,-0.2 -4,-0.2 -2,-0.1 0.883 50.4 175.0 67.5 41.4 33.3 18.5 26.9 229 241 A G < - 0 0 2 -5,-3.6 37,-1.4 -6,-0.2 2,-0.2 -0.011 30.7 -95.4 -70.2 178.8 30.6 18.9 24.2 230 242 A S B -f 266 0E 5 35,-0.2 37,-0.2 68,-0.1 -1,-0.1 -0.622 14.5-151.5 -97.1 157.7 30.2 21.9 21.8 231 243 A T S >> S+ 0 0 19 35,-1.1 3,-2.9 -2,-0.2 4,-0.5 0.682 75.9 92.8 -98.8 -24.4 27.9 24.9 22.3 232 244 A S G >4 S+ 0 0 2 34,-0.3 3,-2.4 1,-0.3 6,-0.2 0.840 78.9 62.7 -35.5 -51.4 27.2 25.6 18.6 233 245 A P G 34 S+ 0 0 5 0, 0.0 -1,-0.3 0, 0.0 637,-0.3 0.766 105.5 45.5 -49.7 -32.2 24.1 23.5 18.6 234 246 A F G <4 S+ 0 0 0 -3,-2.9 -2,-0.2 -4,-0.1 22,-0.2 0.386 82.1 132.1 -97.3 3.2 22.5 25.8 21.2 235 247 A L << - 0 0 42 -3,-2.4 4,-0.2 -4,-0.5 3,-0.2 -0.148 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446,-0.2 -0.837 80.5-115.2-119.4 159.5 -15.1 25.9 30.9 326 338 A A + 0 0 0 444,-2.4 2,-3.2 -2,-0.3 17,-0.2 -0.427 39.8 175.8 -89.8 59.9 -18.6 24.8 31.8 327 339 A N + 0 0 2 -2,-1.3 -132,-0.3 -5,-0.4 2,-0.2 -0.343 45.1 95.8 -67.0 70.4 -18.0 21.1 31.0 328 340 A D - 0 0 0 -2,-3.2 15,-0.6 -134,-0.1 13,-0.1 -0.831 67.0 -97.8-145.7-179.1 -21.5 20.2 32.2 329 341 A N S S+ 0 0 0 1,-0.3 2,-0.2 -2,-0.2 11,-0.1 -0.833 87.5 18.6-175.4 134.4 -24.9 19.5 30.8 330 342 A P S S- 0 0 0 0, 0.0 2,-0.3 0, 0.0 -1,-0.3 0.613 82.1-147.5 -76.8 179.8 -27.4 20.8 30.4 331 343 A L B -I 339 0G 0 8,-2.7 8,-1.3 -2,-0.2 2,-0.5 -0.877 2.2-145.2-116.2 146.0 -26.3 24.4 30.7 332 344 A F + 0 0 3 -221,-2.6 2,-0.3 -2,-0.3 -219,-0.2 -0.930 22.3 164.9-115.9 122.0 -28.2 27.4 32.0 333 345 A F > - 0 0 16 -2,-0.5 3,-0.5 4,-0.3 2,-0.4 -0.872 40.0-104.5-122.3 160.3 -27.9 31.0 30.7 334 346 A E T 3 S+ 0 0 126 -2,-0.3 3,-0.1 1,-0.2 -296,-0.0 -0.704 101.9 12.4 -89.3 138.0 -30.3 33.9 31.3 335 347 A G T 3 S+ 0 0 92 -2,-0.4 2,-0.2 1,-0.3 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112.8 34.6 -59.3 -65.5 32.2 14.3 36.7 466 478 A D H 3<5S+ 0 0 48 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.205 110.8 68.4 -79.4 18.7 34.3 13.0 39.6 467 479 A I H <45S+ 0 0 38 -3,-0.8 -1,-0.2 -5,-0.1 -2,-0.2 0.610 112.6 26.6-105.5 -21.6 35.6 10.2 37.3 468 480 A S H <<5S- 0 0 43 -3,-1.3 -2,-0.2 -4,-0.8 -3,-0.1 0.276 108.0-117.6-120.9 4.2 37.6 12.6 35.1 469 481 A G T <5 + 0 0 62 -4,-0.6 -3,-0.2 -5,-0.1 3,-0.1 0.941 69.5 136.0 57.0 53.0 38.2 15.3 37.7 470 482 A R >< + 0 0 63 -5,-1.7 4,-1.1 -6,-0.2 3,-0.5 0.189 30.0 106.6-113.6 14.2 36.3 18.0 35.8 471 483 A F T >4 S+ 0 0 56 -6,-0.3 3,-0.8 1,-0.2 -1,-0.1 0.913 78.6 53.6 -59.2 -44.8 34.3 19.4 38.7 472 484 A D T 34 S+ 0 0 137 1,-0.3 -1,-0.2 -3,-0.1 -2,-0.1 0.782 108.1 51.8 -61.9 -27.3 36.5 22.5 38.8 473 485 A G T 34 S+ 0 0 18 -3,-0.5 -210,-3.1 -210,-0.1 -209,-1.0 0.705 87.7 108.3 -81.3 -21.6 35.7 23.1 35.2 474 486 A L S << S- 0 0 7 -4,-1.1 -215,-0.1 -3,-0.8 -252,-0.0 -0.156 70.3-120.2 -55.2 150.1 32.0 22.8 35.8 475 487 A S > - 0 0 1 -217,-0.1 4,-2.7 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19.1 0.2 1001 485 B G G < S+ 0 0 19 -3,-0.6 -210,-1.9 -211,-0.1 -209,-0.7 0.541 84.5 110.0 -95.2 -10.1 -37.6 19.5 3.9 1002 486 B L S < S- 0 0 5 -3,-1.3 -252,-0.1 -4,-0.4 -215,-0.0 -0.279 71.2-114.2 -65.1 151.3 -33.9 19.7 3.4 1003 487 B S > - 0 0 0 -213,-0.1 4,-2.6 -217,-0.1 5,-0.2 -0.153 35.0 -94.1 -75.7 177.2 -32.0 22.9 4.0 1004 488 B P H > S+ 0 0 51 0, 0.0 4,-1.3 0, 0.0 -215,-0.1 0.927 128.4 39.6 -60.4 -47.0 -30.3 24.8 1.2 1005 489 B A H > S+ 0 0 2 -219,-0.4 4,-2.5 -217,-0.4 5,-0.2 0.886 113.7 55.5 -69.8 -39.8 -26.9 23.2 1.9 1006 490 B A H > S+ 0 0 2 -220,-0.4 4,-3.1 1,-0.2 5,-0.2 0.915 105.5 52.0 -58.0 -45.2 -28.5 19.9 2.6 1007 491 B K H X S+ 0 0 55 -4,-2.6 4,-2.7 1,-0.2 -1,-0.2 0.884 109.4 50.1 -59.5 -40.5 -30.1 19.9 -0.8 1008 492 B A H X S+ 0 0 7 -4,-1.3 4,-2.6 2,-0.2 -2,-0.2 0.934 112.0 47.1 -63.9 -47.5 -26.8 20.6 -2.4 1009 493 B T H X S+ 0 0 3 -4,-2.5 4,-1.7 2,-0.2 -2,-0.2 0.954 113.2 48.8 -58.0 -52.2 -25.1 17.8 -0.6 1010 494 B Y H X S+ 0 0 26 -4,-3.1 4,-3.0 1,-0.2 3,-0.5 0.942 114.6 44.1 -53.5 -53.0 -27.9 15.4 -1.5 1011 495 B E H X S+ 0 0 95 -4,-2.7 4,-2.0 1,-0.2 -1,-0.2 0.862 107.8 59.2 -62.5 -37.1 -27.9 16.3 -5.1 1012 496 B A H < S+ 0 0 9 -4,-2.6 4,-0.4 -5,-0.2 -1,-0.2 0.851 114.1 38.1 -59.9 -34.7 -24.1 16.2 -5.2 1013 497 B V H >X S+ 0 0 0 -4,-1.7 4,-3.2 -3,-0.5 3,-1.1 0.897 112.9 54.1 -81.6 -45.8 -24.3 12.5 -4.1 1014 498 B R H 3< S+ 0 0 45 -4,-3.0 -2,-0.2 1,-0.3 -3,-0.2 0.763 102.7 60.5 -61.4 -25.7 -27.4 11.6 -6.2 1015 499 B R T 3< S+ 0 0 181 -4,-2.0 -1,-0.3 -5,-0.2 -2,-0.2 0.799 114.5 34.3 -71.2 -29.2 -25.5 12.9 -9.3 1016 500 B L T <4 S+ 0 0 61 -3,-1.1 -2,-0.2 -4,-0.4 -1,-0.1 0.848 131.5 22.3 -91.7 -42.6 -22.8 10.3 -8.7 1017 501 B V S < S- 0 0 1 -4,-3.2 -1,-0.3 -5,-0.0 3,-0.1 -0.993 75.7-133.3-133.4 130.6 -24.9 7.5 -7.3 1018 502 B P - 0 0 76 0, 0.0 -27,-0.1 0, 0.0 -3,-0.1 -0.265 43.4 -77.3 -73.9 164.3 -28.7 6.8 -7.7 1019 503 B T - 0 0 63 1,-0.1 2,-1.0 -5,-0.1 -28,-0.0 -0.281 48.3-111.4 -59.5 146.2 -31.0 5.9 -4.9 1020 504 B L + 0 0 4 1,-0.2 -103,-0.4 -105,-0.1 -1,-0.1 -0.722 50.0 157.1 -85.2 101.7 -30.8 2.3 -3.7 1021 505 B G + 0 0 42 -2,-1.0 -103,-0.5 1,-0.3 -104,-0.3 0.938 67.8 13.8 -85.3 -65.7 -34.1 0.7 -4.8 1022 506 B V S S- 0 0 94 1,-0.1 -1,-0.3 -105,-0.1 -99,-0.0 -0.813 101.2 -79.9-110.3 153.7 -33.2 -3.0 -4.9 1023 507 B D + 0 0 59 -2,-0.3 2,-0.3 -3,-0.1 -1,-0.1 -0.122 64.4 158.7 -47.7 145.1 -30.0 -4.6 -3.5 1024 508 B R - 0 0 80 -99,-0.3 -1,-0.0 -3,-0.1 -4,-0.0 -0.990 47.8 -59.5-167.8 160.9 -27.0 -4.2 -5.8 1025 509 B Y + 0 0 161 -2,-0.3 4,-0.2 1,-0.2 0, 0.0 -0.200 46.7 177.1 -46.1 122.2 -23.2 -4.1 -6.2 1026 510 B M > + 0 0 34 2,-0.1 4,-2.3 3,-0.1 3,-0.4 0.715 56.2 87.0-105.1 -28.4 -22.0 -1.4 -3.8 1027 511 B A H > S+ 0 0 46 1,-0.3 4,-2.0 2,-0.2 5,-0.2 0.865 95.7 42.4 -39.8 -55.5 -18.2 -1.6 -4.2 1028 512 B D H > S+ 0 0 103 1,-0.2 4,-1.9 2,-0.2 -1,-0.3 0.877 110.7 57.2 -63.9 -38.7 -18.2 0.7 -7.1 1029 513 B D H > S+ 0 0 29 -3,-0.4 4,-1.5 -4,-0.2 -1,-0.2 0.914 110.4 42.8 -58.6 -45.3 -20.7 3.1 -5.6 1030 514 B I H X S+ 0 0 19 -4,-2.3 4,-2.5 1,-0.2 -1,-0.2 0.880 112.5 52.1 -71.1 -38.9 -18.6 3.7 -2.5 1031 515 B E H X S+ 0 0 89 -4,-2.0 4,-1.6 -5,-0.3 -1,-0.2 0.823 107.0 56.1 -65.4 -30.7 -15.3 4.0 -4.4 1032 516 B L H X S+ 0 0 78 -4,-1.9 4,-1.6 2,-0.2 -1,-0.2 0.918 112.7 38.4 -67.4 -45.9 -17.0 6.6 -6.6 1033 517 B V H X S+ 0 0 0 -4,-1.5 4,-3.0 2,-0.2 5,-0.3 0.850 110.9 59.7 -74.8 -35.5 -17.9 8.8 -3.6 1034 518 B A H X S+ 0 0 4 -4,-2.5 4,-1.5 1,-0.2 -1,-0.2 0.893 107.1 48.2 -58.0 -39.7 -14.7 8.2 -1.8 1035 519 B D H X S+ 0 0 91 -4,-1.6 4,-1.7 2,-0.2 -1,-0.2 0.921 110.3 51.0 -66.1 -45.3 -12.9 9.6 -4.9 1036 520 B A H ><>S+ 0 0 0 -4,-1.6 5,-2.6 1,-0.2 3,-0.6 0.948 109.6 49.2 -56.5 -51.8 -15.2 12.6 -4.9 1037 521 B L H ><5S+ 0 0 2 -4,-3.0 3,-1.4 1,-0.3 -1,-0.2 0.846 106.8 58.5 -56.7 -34.2 -14.6 13.3 -1.2 1038 522 B S H 3<5S+ 0 0 64 -4,-1.5 -1,-0.3 1,-0.3 -2,-0.2 0.878 106.2 46.6 -63.3 -39.2 -10.9 13.0 -2.0 1039 523 B R T <<5S- 0 0 107 -4,-1.7 -1,-0.3 -3,-0.6 -2,-0.2 0.163 117.1-114.4 -88.8 18.2 -11.1 15.8 -4.5 1040 524 B G T <>5 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-4.6 1050 534 B T S < S- 0 0 15 -4,-0.7 -1,-0.0 2,-0.2 -45,-0.0 -0.900 72.4-120.0-143.6 170.3 -24.8 28.2 -1.5 1051 535 B D S S+ 0 0 149 -2,-0.3 2,-0.3 -3,-0.1 -4,-0.1 0.161 71.6 130.6 -95.4 16.2 -23.7 31.5 0.1 1052 536 B I - 0 0 9 -6,-0.5 2,-0.6 -266,-0.0 -2,-0.2 -0.542 46.8-155.9 -79.3 132.0 -22.2 29.5 2.9 1053 537 B Q - 0 0 176 -2,-0.3 2,-0.4 -271,-0.0 -268,-0.1 -0.928 14.7-151.2-108.2 112.6 -18.6 30.2 4.0 1054 538 B L 0 0 34 -2,-0.6 -312,-0.1 1,-0.2 -272,-0.0 -0.716 360.0 360.0 -92.9 128.9 -17.0 27.1 5.6 1055 539 B R 0 0 144 -2,-0.4 -1,-0.2 -277,-0.2 -313,-0.1 0.881 360.0 360.0 -73.1 360.0 -14.3 27.4 8.3