==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=21-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 31-MAY-97 1ZAK . COMPND 2 MOLECULE: ADENYLATE KINASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ZEA MAYS; . AUTHOR K.WILD,G.E.SCHULZ . 440 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 23550.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 350 79.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 38 8.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 12 2.7 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.5 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 . 28 6.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 70 15.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 182 41.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 10 2.3 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 0 2 0 0 4 0 0 4 2 2 0 0 0 0 2 0 0 0 0 2 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 2 2 0 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 PARALLEL BRIDGES PER LADDER . 2 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 0 ANTIPARALLEL BRIDGES PER LADDER . 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 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 A 0 0 92 0, 0.0 4,-0.1 0, 0.0 105,-0.0 0.000 360.0 360.0 360.0-158.4 22.9 18.0 22.0 2 4 A D + 0 0 103 2,-0.1 2,-0.1 82,-0.0 3,-0.1 0.720 360.0 87.3 -68.9 -27.9 24.5 15.8 19.3 3 5 A P S S- 0 0 31 0, 0.0 82,-0.2 0, 0.0 81,-0.2 -0.516 98.8 -89.7 -71.2 150.7 26.8 13.8 21.7 4 6 A L - 0 0 11 79,-0.5 81,-0.4 -2,-0.1 2,-0.4 -0.327 45.2-172.0 -61.1 136.9 25.1 10.8 23.2 5 7 A K - 0 0 17 79,-0.2 103,-1.9 -4,-0.1 104,-0.6 -0.951 5.8-177.8-134.8 113.6 23.3 11.5 26.5 6 8 A V E -ab 86 109A 1 79,-2.4 81,-2.2 -2,-0.4 2,-0.3 -0.677 13.1-160.9-110.9 164.5 21.9 8.6 28.5 7 9 A M E -ab 87 110A 3 102,-0.7 104,-2.3 -2,-0.2 2,-0.3 -0.953 12.4-174.6-146.5 120.6 19.9 8.4 31.7 8 10 A I E +ab 88 111A 1 79,-1.5 81,-1.3 -2,-0.3 82,-0.6 -0.893 10.0 156.0-120.6 152.9 19.6 5.2 33.8 9 11 A S E + b 0 112A 16 102,-1.7 104,-2.1 -2,-0.3 2,-0.3 -0.970 3.2 139.5-162.9 166.1 17.6 4.3 36.9 10 12 A G E - b 0 113A 4 -2,-0.3 104,-0.1 102,-0.2 3,-0.1 -0.950 53.7 -50.9 168.4 176.0 16.1 1.4 38.8 11 13 A A S > S- 0 0 5 102,-0.6 3,-1.2 -2,-0.3 5,-0.2 -0.361 77.3 -74.2 -68.6 154.6 15.5 -0.2 42.2 12 14 A P T 3 S+ 0 0 19 0, 0.0 -1,-0.1 0, 0.0 112,-0.1 -0.151 116.9 13.4 -52.8 139.3 18.6 -0.5 44.6 13 15 A A T 3 S+ 0 0 21 -3,-0.1 -2,-0.1 110,-0.1 110,-0.0 0.682 87.5 125.1 66.1 25.6 21.1 -3.3 43.8 14 16 A S S < S- 0 0 5 -3,-1.2 -1,-0.1 101,-0.0 -3,-0.1 0.756 89.5 -87.2 -83.4 -27.7 19.6 -3.8 40.3 15 17 A G S > S+ 0 0 15 -4,-0.2 4,-2.6 -5,-0.1 5,-0.3 0.525 82.6 133.5 129.2 17.4 22.9 -3.2 38.4 16 18 A K H > S+ 0 0 24 -5,-0.2 4,-2.0 2,-0.2 -5,-0.0 0.963 81.2 38.1 -60.1 -56.3 23.1 0.5 37.8 17 19 A G H > S+ 0 0 27 1,-0.2 4,-1.1 2,-0.2 -1,-0.2 0.928 117.0 53.2 -61.7 -44.1 26.7 0.9 38.9 18 20 A T H >> S+ 0 0 46 1,-0.2 4,-1.0 2,-0.2 3,-0.6 0.922 111.4 43.0 -57.6 -51.5 27.8 -2.4 37.3 19 21 A Q H >X S+ 0 0 9 -4,-2.6 4,-2.2 1,-0.2 3,-0.5 0.929 105.1 63.8 -64.0 -43.6 26.4 -1.6 33.8 20 22 A C H 3X S+ 0 0 0 -4,-2.0 4,-2.8 -5,-0.3 -1,-0.2 0.782 96.8 58.3 -51.8 -32.4 27.6 1.9 33.8 21 23 A E H - 0 0 8 -2,-0.2 4,-2.4 54,-0.1 5,-0.2 -0.714 21.9-160.3-161.5 105.3 26.4 9.4 39.5 34 36 A A H > S+ 0 0 9 54,-1.8 4,-1.6 -2,-0.2 55,-0.1 0.836 96.9 52.9 -53.8 -38.1 24.3 11.0 42.3 35 37 A G H > S+ 0 0 23 53,-0.5 4,-2.2 2,-0.2 3,-0.3 0.986 110.9 44.5 -62.7 -56.0 25.1 8.1 44.7 36 38 A D H > S+ 0 0 90 1,-0.2 4,-2.4 2,-0.2 -2,-0.2 0.860 110.4 54.0 -56.5 -44.2 28.9 8.4 44.3 37 39 A L H X S+ 0 0 27 -4,-2.4 4,-1.8 2,-0.2 -1,-0.2 0.897 109.0 50.2 -59.2 -41.6 29.0 12.2 44.5 38 40 A L H X S+ 0 0 19 -4,-1.6 4,-1.6 -3,-0.3 3,-0.4 0.970 111.9 46.0 -60.9 -52.8 27.2 12.0 47.8 39 41 A R H X S+ 0 0 60 -4,-2.2 4,-2.6 1,-0.2 -1,-0.2 0.832 108.3 58.3 -60.1 -33.6 29.5 9.4 49.2 40 42 A A H X S+ 0 0 52 -4,-2.4 4,-2.2 2,-0.2 -1,-0.2 0.905 104.9 49.1 -63.5 -42.3 32.5 11.4 48.0 41 43 A E H X>S+ 0 0 68 -4,-1.8 5,-1.7 -3,-0.4 4,-0.7 0.857 112.4 48.7 -64.9 -36.3 31.4 14.5 50.0 42 44 A I H ><5S+ 0 0 36 -4,-1.6 3,-0.6 7,-0.2 -2,-0.2 0.904 109.3 52.9 -68.2 -42.9 31.1 12.2 53.1 43 45 A A H 3<5S+ 0 0 67 -4,-2.6 -2,-0.2 1,-0.3 -1,-0.2 0.879 109.1 48.9 -58.7 -42.4 34.5 10.8 52.4 44 46 A A H 3<5S- 0 0 64 -4,-2.2 -1,-0.3 -5,-0.1 -2,-0.2 0.661 109.9-131.6 -71.3 -20.4 35.9 14.3 52.3 45 47 A G T <<5 + 0 0 27 -4,-0.7 -3,-0.2 -3,-0.6 -2,-0.1 0.876 46.5 157.9 71.3 42.3 34.1 14.9 55.6 46 48 A S >< - 0 0 33 -5,-1.7 4,-2.3 1,-0.1 5,-0.2 -0.345 58.4-101.7 -89.7 175.0 32.4 18.3 54.8 47 49 A E H > S+ 0 0 142 1,-0.2 4,-0.8 2,-0.2 5,-0.1 0.874 125.8 52.5 -63.9 -37.1 29.4 19.8 56.4 48 50 A N H > S+ 0 0 72 2,-0.2 4,-2.9 1,-0.2 -1,-0.2 0.851 108.2 52.9 -65.4 -35.9 27.3 18.7 53.4 49 51 A G H > S+ 0 0 0 -8,-0.4 4,-2.8 1,-0.2 -7,-0.2 0.972 109.2 45.1 -64.7 -54.2 28.6 15.2 54.0 50 52 A K H < S+ 0 0 126 -4,-2.3 4,-0.4 2,-0.2 -1,-0.2 0.624 117.5 48.1 -66.9 -11.9 27.7 14.9 57.6 51 53 A R H >X S+ 0 0 94 -4,-0.8 3,-0.9 -5,-0.2 4,-0.8 0.907 113.0 44.7 -87.8 -57.5 24.3 16.3 56.8 52 54 A A H >X S+ 0 0 2 -4,-2.9 4,-1.7 1,-0.2 3,-0.6 0.880 102.5 66.9 -53.2 -46.9 23.6 14.1 53.8 53 55 A K H 3X S+ 0 0 64 -4,-2.8 4,-1.6 1,-0.2 -1,-0.2 0.843 92.4 62.1 -45.7 -43.3 24.7 10.9 55.6 54 56 A E H X> S+ 0 0 94 -3,-0.9 4,-1.2 -4,-0.4 3,-0.9 0.934 105.6 44.0 -50.8 -54.1 21.8 11.1 58.1 55 57 A F H <<>S+ 0 0 58 -4,-0.8 5,-3.4 -3,-0.6 3,-0.5 0.905 112.4 53.6 -60.1 -40.5 19.2 10.8 55.4 56 58 A M H 3<5S+ 0 0 21 -4,-1.7 -1,-0.3 1,-0.2 -2,-0.2 0.710 102.0 59.1 -67.3 -23.3 21.1 8.0 53.7 57 59 A E H <<5S+ 0 0 17 -4,-1.6 -1,-0.2 -3,-0.9 -2,-0.2 0.832 110.3 40.8 -75.5 -32.4 21.3 6.0 57.0 58 60 A K T <5S- 0 0 75 -4,-1.2 -1,-0.2 -3,-0.5 -2,-0.2 0.405 120.9-106.7 -94.2 1.0 17.5 5.8 57.3 59 61 A G T 5S+ 0 0 7 -4,-0.4 -3,-0.2 1,-0.2 111,-0.2 0.743 72.9 145.1 79.9 24.7 17.1 5.1 53.6 60 62 A Q < - 0 0 85 -5,-3.4 2,-0.4 -6,-0.2 -1,-0.2 -0.418 55.5-103.0 -90.1 167.6 15.8 8.6 52.9 61 63 A L - 0 0 58 -2,-0.1 3,-0.1 1,-0.0 -1,-0.1 -0.770 38.3-115.8 -91.4 134.3 16.4 10.8 49.9 62 64 A V - 0 0 11 -2,-0.4 5,-0.1 1,-0.1 -10,-0.1 -0.527 43.1 -94.9 -71.5 133.6 18.9 13.6 50.4 63 65 A P >> - 0 0 33 0, 0.0 3,-2.4 0, 0.0 4,-1.1 -0.208 32.2-111.9 -54.3 136.5 17.3 17.1 50.1 64 66 A D H 3>>S+ 0 0 53 1,-0.3 4,-1.8 2,-0.2 5,-0.5 0.659 107.9 65.9 -37.0 -44.5 17.3 19.0 46.8 65 67 A E H 345S+ 0 0 136 1,-0.2 4,-0.3 2,-0.2 -1,-0.3 0.782 109.5 40.3 -58.0 -27.7 19.7 21.8 47.7 66 68 A I H <>5S+ 0 0 13 -3,-2.4 4,-0.8 3,-0.1 -2,-0.2 0.946 126.4 32.4 -82.5 -53.8 22.5 19.3 48.2 67 69 A V H >X5S+ 0 0 9 -4,-1.1 4,-2.2 2,-0.2 3,-0.6 0.967 110.2 58.4 -67.9 -60.9 21.8 17.1 45.2 68 70 A V H 3X5S+ 0 0 18 -4,-1.8 4,-1.9 1,-0.3 -3,-0.2 0.840 116.6 30.8 -41.7 -57.4 20.3 19.4 42.5 69 71 A N H 3>X S+ 0 0 3 -4,-2.2 4,-1.5 2,-0.2 3,-0.8 0.883 109.2 65.1 -76.3 -43.0 24.8 17.6 39.8 72 74 A K H >X S+ 0 0 65 -4,-1.9 3,-0.8 -5,-0.3 4,-0.8 0.914 103.7 44.2 -44.1 -60.0 24.2 20.9 38.0 73 75 A E H 3X S+ 0 0 113 -4,-2.0 4,-0.6 1,-0.2 -1,-0.3 0.695 106.2 60.7 -64.4 -21.8 27.9 21.9 38.1 74 76 A R H << S+ 0 0 111 -3,-0.8 3,-0.5 -4,-0.5 6,-0.3 0.827 104.0 50.7 -74.7 -31.6 29.1 18.4 37.0 75 77 A L H << S+ 0 0 20 -4,-1.5 -1,-0.2 -3,-0.8 -2,-0.2 0.703 100.6 65.3 -75.8 -21.2 27.1 18.9 33.8 76 78 A R H < S+ 0 0 131 -4,-0.8 -1,-0.2 -5,-0.2 -2,-0.2 0.738 78.8 102.7 -72.3 -25.2 28.8 22.3 33.3 77 79 A Q S >X S- 0 0 69 -4,-0.6 4,-0.9 -3,-0.5 3,-0.7 -0.308 82.1-119.3 -59.3 146.6 32.2 20.6 32.9 78 80 A P H >> S+ 0 0 88 0, 0.0 4,-2.5 0, 0.0 3,-0.8 0.869 105.0 63.0 -53.2 -52.1 33.5 20.4 29.2 79 81 A D H 3>>S+ 0 0 75 1,-0.3 4,-2.6 2,-0.2 5,-1.2 0.825 103.0 50.8 -47.1 -39.2 33.8 16.6 28.9 80 82 A A H <45S+ 0 0 2 -3,-0.7 -1,-0.3 -6,-0.3 -50,-0.1 0.860 115.2 42.3 -69.8 -35.4 30.0 16.1 29.4 81 83 A Q H <<5S+ 0 0 113 -4,-0.9 -2,-0.2 -3,-0.8 -1,-0.2 0.750 122.0 39.2 -83.2 -25.4 29.2 18.7 26.8 82 84 A E H <5S+ 0 0 152 -4,-2.5 -2,-0.2 2,-0.1 -3,-0.2 0.857 132.1 19.5 -92.3 -41.4 31.8 17.5 24.3 83 85 A N T <5S- 0 0 86 -4,-2.6 -79,-0.5 -5,-0.3 -3,-0.2 0.855 112.9 -99.1 -96.5 -44.9 31.6 13.7 24.6 84 86 A G < - 0 0 0 -5,-1.2 -54,-2.6 -81,-0.2 2,-0.3 -0.558 28.5-100.3 136.6 158.8 28.3 13.2 26.2 85 87 A W E - c 0 30A 33 -81,-0.4 -79,-2.4 -56,-0.2 2,-0.4 -0.842 15.5-163.7-115.2 151.5 26.7 12.5 29.7 86 88 A L E -ac 6 31A 0 -56,-2.3 -54,-1.7 -2,-0.3 -79,-0.2 -0.884 16.4-156.1-133.2 96.0 25.5 9.4 31.4 87 89 A L E -a 7 0A 1 -81,-2.2 -79,-1.5 -2,-0.4 2,-0.3 -0.418 9.6-173.0 -72.2 152.2 23.3 10.0 34.4 88 90 A D E +a 8 0A 9 -81,-0.2 -54,-1.8 -2,-0.1 -53,-0.5 -0.915 68.4 1.1-150.4 114.3 22.9 7.4 37.2 89 91 A G S S+ 0 0 3 -81,-1.3 -80,-0.1 -2,-0.3 3,-0.1 0.884 97.4 143.0 76.4 38.9 20.5 7.7 40.1 90 92 A Y + 0 0 1 -82,-0.6 -1,-0.2 1,-0.3 -82,-0.2 -0.884 45.8 24.1-169.0 133.2 19.0 11.0 39.0 91 93 A P + 0 0 3 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.661 59.3 164.9 -79.7 176.2 16.4 12.3 39.0 92 94 A R + 0 0 92 1,-0.2 2,-0.3 -2,-0.1 86,-0.1 0.239 63.7 33.6-135.9 7.2 14.6 10.5 41.8 93 95 A S S > S- 0 0 17 1,-0.1 4,-2.5 84,-0.1 -1,-0.2 -0.981 84.6-102.8-159.5 159.5 11.7 12.8 42.3 94 96 A Y H > S+ 0 0 127 -2,-0.3 4,-2.9 1,-0.2 5,-0.2 0.934 119.5 49.9 -50.3 -56.3 9.3 15.2 40.4 95 97 A S H > S+ 0 0 58 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.908 110.9 50.1 -51.7 -46.5 11.1 18.3 41.6 96 98 A Q H > S+ 0 0 7 2,-0.2 4,-1.0 1,-0.2 -1,-0.2 0.914 112.0 46.8 -59.3 -47.6 14.5 16.9 40.6 97 99 A A H >X S+ 0 0 4 -4,-2.5 4,-1.2 1,-0.2 3,-0.7 0.946 111.7 51.8 -60.1 -47.8 13.3 15.9 37.1 98 100 A M H 3X S+ 0 0 51 -4,-2.9 4,-1.6 1,-0.2 -1,-0.2 0.835 97.3 66.8 -58.1 -37.9 11.7 19.3 36.6 99 101 A A H 3< S+ 0 0 22 -4,-2.2 -1,-0.2 1,-0.2 4,-0.2 0.900 104.5 45.1 -50.6 -44.7 14.9 21.2 37.6 100 102 A L H X<>S+ 0 0 16 -4,-1.0 5,-2.1 -3,-0.7 3,-1.5 0.839 105.0 59.1 -71.1 -36.2 16.5 19.8 34.4 101 103 A E H ><5S+ 0 0 32 -4,-1.2 3,-1.5 1,-0.3 -1,-0.2 0.843 97.5 62.2 -64.4 -30.6 13.6 20.5 32.0 102 104 A T T 3<5S+ 0 0 113 -4,-1.6 -1,-0.3 1,-0.3 -2,-0.2 0.604 105.9 46.4 -70.1 -12.2 13.9 24.2 32.9 103 105 A L T < 5S- 0 0 75 -3,-1.5 -1,-0.3 -4,-0.2 -2,-0.2 0.192 118.7-109.0-112.0 10.7 17.4 24.3 31.5 104 106 A E T < 5 + 0 0 165 -3,-1.5 2,-0.8 1,-0.2 -3,-0.2 0.811 68.4 149.0 64.5 32.4 16.5 22.4 28.3 105 107 A I < + 0 0 34 -5,-2.1 -1,-0.2 0, 0.0 -2,-0.1 -0.853 11.8 153.3-102.2 102.7 18.3 19.3 29.4 106 108 A R - 0 0 65 -2,-0.8 77,-0.1 -3,-0.1 -101,-0.0 -0.983 33.8-131.8-130.0 139.2 16.5 16.2 28.0 107 109 A P - 0 0 11 0, 0.0 -101,-0.2 0, 0.0 3,-0.1 -0.106 16.6-121.8 -79.0-176.8 18.1 12.8 27.3 108 110 A D S S- 0 0 37 -103,-1.9 2,-0.3 1,-0.4 -102,-0.1 0.788 91.9 -1.8 -93.6 -39.6 17.9 10.6 24.2 109 111 A T E -b 6 0A 19 -104,-0.6 -102,-0.7 2,-0.0 2,-0.6 -0.982 61.0-136.2-150.7 155.8 16.4 7.6 26.0 110 112 A F E -bd 7 186A 11 75,-1.9 77,-2.6 -2,-0.3 2,-0.6 -0.938 20.6-158.6-119.1 107.2 15.5 6.6 29.6 111 113 A I E -bd 8 187A 0 -104,-2.3 -102,-1.7 -2,-0.6 2,-0.5 -0.770 6.7-170.0 -92.8 119.6 16.6 3.1 30.5 112 114 A L E -bd 9 188A 36 75,-2.1 77,-2.9 -2,-0.6 2,-0.8 -0.926 16.3-140.9-109.6 126.6 14.8 1.5 33.4 113 115 A L E -bd 10 189A 5 -104,-2.1 2,-0.7 -2,-0.5 -102,-0.6 -0.765 15.7-154.3 -87.9 110.7 16.2 -1.8 34.9 114 116 A D E + d 0 190A 67 75,-2.8 77,-3.0 -2,-0.8 78,-0.5 -0.773 24.0 163.2 -90.6 111.7 13.2 -4.0 35.8 115 117 A V - 0 0 12 -2,-0.7 2,-0.3 75,-0.2 -104,-0.1 -0.979 40.5-113.8-130.6 136.9 14.1 -6.5 38.6 116 118 A P >> - 0 0 43 0, 0.0 3,-2.3 0, 0.0 4,-0.9 -0.570 24.0-130.7 -69.3 129.7 11.7 -8.6 40.8 117 119 A D H 3> S+ 0 0 64 -2,-0.3 4,-0.7 1,-0.3 51,-0.0 0.769 102.8 71.2 -49.5 -32.6 11.9 -7.5 44.4 118 120 A E H 34 S+ 0 0 161 1,-0.2 4,-0.3 2,-0.1 -1,-0.3 0.779 100.1 46.3 -57.9 -27.8 12.3 -11.1 45.5 119 121 A L H X> S+ 0 0 62 -3,-2.3 3,-1.1 1,-0.1 4,-0.8 0.942 92.1 77.3 -79.8 -53.3 15.9 -11.1 44.0 120 122 A L H >X S+ 0 0 2 -4,-0.9 4,-2.0 1,-0.2 3,-0.8 0.683 82.6 63.9 -27.1 -53.7 17.4 -7.9 45.4 121 123 A V H 3X S+ 0 0 36 -4,-0.7 4,-2.0 1,-0.3 -1,-0.2 0.897 105.5 42.8 -48.1 -53.4 18.1 -9.0 49.0 122 124 A E H <4 S+ 0 0 105 -3,-1.1 4,-0.4 -4,-0.3 -1,-0.3 0.742 109.5 59.9 -69.5 -21.1 20.7 -11.6 48.1 123 125 A R H X< S+ 0 0 67 -4,-0.8 3,-0.7 -3,-0.8 -1,-0.2 0.963 111.3 39.2 -69.6 -47.2 22.3 -9.3 45.5 124 126 A V H >< S+ 0 0 3 -4,-2.0 3,-1.2 1,-0.2 -2,-0.2 0.825 106.6 62.2 -73.0 -34.8 23.1 -6.7 48.1 125 127 A V T 3< S+ 0 0 59 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.1 0.573 111.7 39.6 -70.0 -10.0 24.2 -8.9 51.0 126 128 A G T < S+ 0 0 9 -3,-0.7 13,-2.2 -4,-0.4 2,-0.3 0.287 86.2 122.4-119.4 6.8 27.1 -10.3 49.0 127 129 A R E < +E 138 0B 25 -3,-1.2 2,-0.3 11,-0.2 11,-0.3 -0.574 36.5 179.7 -75.8 131.7 28.2 -7.1 47.3 128 130 A R E -E 137 0B 26 9,-1.7 9,-2.0 -2,-0.3 2,-0.4 -0.810 13.8-147.5-124.4 167.8 31.8 -6.0 47.9 129 131 A L E -EF 136 154B 58 25,-2.0 25,-2.3 -2,-0.3 7,-0.2 -0.979 9.1-145.1-145.6 127.2 33.9 -3.1 46.7 130 132 A D >> - 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0 0 13 79,-0.5 81,-0.4 -2,-0.1 2,-0.4 -0.324 45.3-172.0 -60.7 137.1 42.2 4.0 88.7 226 7 B K - 0 0 18 79,-0.2 103,-1.9 -4,-0.1 104,-0.6 -0.951 5.8-177.8-134.9 113.4 44.0 3.2 85.3 227 8 B V E -gh 307 330C 1 79,-2.4 81,-2.2 -2,-0.4 2,-0.3 -0.675 13.1-160.9-110.7 164.5 42.9 0.1 83.4 228 9 B M E -gh 308 331C 3 102,-0.7 104,-2.3 -2,-0.2 2,-0.3 -0.953 12.4-174.6-146.6 120.5 44.2 -1.4 80.1 229 10 B I E +gh 309 332C 3 79,-1.5 81,-1.4 -2,-0.3 82,-0.6 -0.893 10.0 156.1-120.6 153.0 42.2 -3.9 78.0 230 11 B S E + h 0 333C 15 102,-1.7 104,-2.1 -2,-0.3 2,-0.3 -0.970 3.2 139.7-163.0 166.2 42.9 -5.9 74.9 231 12 B G E - h 0 334C 4 -2,-0.3 104,-0.1 102,-0.2 3,-0.1 -0.950 53.8 -51.1 168.5 175.9 41.9 -9.1 73.0 232 13 B A S > S- 0 0 6 102,-0.6 3,-1.2 -2,-0.3 5,-0.2 -0.364 77.7 -74.0 -68.6 154.6 41.2 -10.6 69.6 233 14 B P T 3 S+ 0 0 18 0, 0.0 -1,-0.1 0, 0.0 112,-0.1 -0.150 117.0 13.4 -52.5 139.3 38.9 -8.7 67.3 234 15 B A T 3 S+ 0 0 19 -3,-0.1 -2,-0.1 110,-0.1 110,-0.0 0.682 87.1 125.3 66.1 25.8 35.1 -8.8 68.1 235 16 B S S < S- 0 0 5 -3,-1.2 -1,-0.1 101,-0.0 -3,-0.1 0.760 89.4 -86.9 -83.4 -27.7 35.8 -10.2 71.6 236 17 B G S > S+ 0 0 15 -4,-0.2 4,-2.6 -5,-0.1 5,-0.3 0.527 82.6 133.5 129.4 17.3 33.9 -7.5 73.5 237 18 B K H > S+ 0 0 23 -5,-0.2 4,-2.0 2,-0.2 -5,-0.0 0.964 81.0 38.0 -59.9 -56.6 36.4 -4.7 74.0 238 19 B G H > S+ 0 0 28 1,-0.2 4,-1.1 2,-0.2 -1,-0.2 0.928 116.9 53.4 -61.5 -43.9 34.1 -1.9 73.0 239 20 B T H >> S+ 0 0 45 1,-0.2 4,-1.0 2,-0.2 3,-0.6 0.923 111.1 43.1 -57.6 -51.5 31.0 -3.5 74.6 240 21 B Q H >X S+ 0 0 9 -4,-2.6 4,-2.2 1,-0.2 3,-0.6 0.929 104.9 64.2 -64.0 -43.5 32.5 -3.9 78.0 241 22 B C H 3X S+ 0 0 0 -4,-2.0 4,-2.8 -5,-0.3 -1,-0.2 0.782 96.7 58.1 -51.5 -32.4 34.1 -0.5 78.1 242 23 B E H - 0 0 8 -2,-0.2 4,-2.4 54,-0.1 5,-0.2 -0.715 21.8-160.3-161.7 105.4 40.3 3.9 72.3 255 36 B A H > S+ 0 0 9 54,-1.8 4,-1.6 -2,-0.2 55,-0.1 0.835 97.2 52.8 -54.0 -37.9 42.9 3.5 69.5 256 37 B G H > S+ 0 0 26 53,-0.5 4,-2.2 2,-0.2 3,-0.3 0.986 110.9 44.6 -62.9 -56.0 40.4 2.1 67.2 257 38 B D H > S+ 0 0 90 1,-0.2 4,-2.3 2,-0.2 -2,-0.2 0.858 110.5 53.7 -56.2 -44.3 37.9 4.9 67.6 258 39 B L H X S+ 0 0 28 -4,-2.4 4,-1.8 2,-0.2 -1,-0.2 0.897 109.0 50.2 -59.4 -41.4 40.5 7.7 67.3 259 40 B L H X S+ 0 0 20 -4,-1.6 4,-1.6 -3,-0.3 3,-0.4 0.970 112.1 46.0 -61.0 -52.7 41.7 6.2 64.0 260 41 B R H X S+ 0 0 59 -4,-2.2 4,-2.6 1,-0.2 -1,-0.2 0.832 108.2 58.2 -60.3 -33.9 38.2 6.1 62.6 261 42 B A H X S+ 0 0 54 -4,-2.3 4,-2.2 2,-0.2 -1,-0.2 0.905 105.2 49.0 -63.4 -42.1 37.5 9.6 63.8 262 43 B E H X>S+ 0 0 69 -4,-1.8 5,-1.7 -3,-0.4 4,-0.7 0.856 112.4 48.6 -65.2 -36.4 40.4 11.0 61.8 263 44 B I H ><5S+ 0 0 35 -4,-1.6 3,-0.6 7,-0.2 -2,-0.2 0.905 109.4 53.0 -68.3 -42.9 39.1 9.1 58.8 264 45 B A H 3<5S+ 0 0 68 -4,-2.6 -2,-0.2 1,-0.3 -1,-0.2 0.877 109.3 48.6 -58.5 -42.7 35.6 10.5 59.5 265 46 B A H 3<5S- 0 0 63 -4,-2.2 -1,-0.3 -5,-0.1 -2,-0.2 0.661 110.0-131.6 -71.4 -20.3 37.1 14.0 59.5 266 47 B G T <<5 + 0 0 31 -4,-0.7 -3,-0.2 -3,-0.6 -2,-0.1 0.876 46.2 157.9 71.2 42.4 38.9 13.2 56.2 267 48 B S >< - 0 0 35 -5,-1.7 4,-2.3 1,-0.1 5,-0.2 -0.346 58.4-101.5 -89.7 175.0 42.4 14.4 57.0 268 49 B E H > S+ 0 0 141 1,-0.2 4,-0.8 2,-0.2 5,-0.1 0.874 126.0 52.4 -63.6 -36.9 45.7 13.3 55.4 269 50 B N H > S+ 0 0 76 2,-0.2 4,-2.9 1,-0.2 -1,-0.2 0.851 107.9 52.9 -65.7 -36.1 46.3 11.0 58.3 270 51 B G H > S+ 0 0 0 -8,-0.4 4,-2.8 1,-0.2 -2,-0.2 0.972 109.4 45.1 -64.5 -54.0 42.9 9.5 57.8 271 52 B K H < S+ 0 0 125 -4,-2.3 4,-0.4 2,-0.2 -1,-0.2 0.624 117.3 47.9 -67.1 -11.9 43.4 8.6 54.2 272 53 B R H >X S+ 0 0 94 -4,-0.8 3,-0.9 -5,-0.2 4,-0.8 0.907 113.2 44.8 -87.9 -57.2 46.8 7.2 55.0 273 54 B A H >X S+ 0 0 2 -4,-2.9 4,-1.7 1,-0.2 3,-0.6 0.880 102.3 66.6 -53.2 -47.2 45.7 5.1 58.0 274 55 B K H 3X S+ 0 0 70 -4,-2.8 4,-1.6 1,-0.2 -1,-0.2 0.842 92.5 62.3 -45.8 -43.3 42.6 3.7 56.2 275 56 B E H X> S+ 0 0 93 -3,-0.9 4,-1.2 -4,-0.4 3,-0.8 0.934 105.6 43.8 -50.5 -54.2 44.9 1.8 53.7 276 57 B F H <<>S+ 0 0 57 -4,-0.8 5,-3.4 -3,-0.6 3,-0.5 0.906 112.3 53.8 -60.4 -40.5 46.5 -0.3 56.4 277 58 B M H 3<5S+ 0 0 21 -4,-1.7 -1,-0.3 1,-0.2 -2,-0.2 0.708 102.2 59.0 -67.1 -23.3 43.1 -0.9 58.1 278 59 B E H <<5S+ 0 0 17 -4,-1.6 -1,-0.2 -3,-0.8 -2,-0.2 0.832 110.1 41.0 -75.8 -32.5 41.6 -2.2 54.8 279 60 B K T <5S- 0 0 79 -4,-1.2 -1,-0.2 -3,-0.5 -2,-0.2 0.407 120.8-106.7 -93.8 1.0 44.1 -5.0 54.5 280 61 B G T 5S+ 0 0 8 -4,-0.4 -3,-0.2 1,-0.2 111,-0.2 0.741 73.2 145.2 79.7 24.7 43.9 -5.7 58.2 281 62 B Q < - 0 0 86 -5,-3.4 2,-0.4 -6,-0.2 -1,-0.2 -0.414 55.6-103.2 -89.9 167.6 47.3 -4.2 58.9 282 63 B L - 0 0 59 -2,-0.1 3,-0.1 1,-0.0 -1,-0.1 -0.772 38.4-115.3 -91.7 134.6 48.5 -2.2 61.9 283 64 B V - 0 0 11 -2,-0.4 5,-0.1 1,-0.1 -10,-0.1 -0.531 43.1 -95.0 -71.4 133.6 48.7 1.5 61.4 284 65 B P >> - 0 0 33 0, 0.0 3,-2.4 0, 0.0 4,-1.1 -0.203 32.3-112.0 -54.2 136.4 52.3 2.8 61.7 285 66 B D H 3>>S+ 0 0 52 1,-0.3 4,-1.8 2,-0.2 5,-0.5 0.660 107.7 66.3 -37.1 -44.5 53.5 4.2 65.0 286 67 B E H 345S+ 0 0 134 1,-0.2 4,-0.3 2,-0.2 -1,-0.3 0.782 109.4 40.3 -57.5 -27.8 53.9 7.9 64.0 287 68 B I H <>5S+ 0 0 13 -3,-2.4 4,-0.8 3,-0.1 -2,-0.2 0.945 126.1 32.6 -82.5 -53.7 50.1 8.1 63.6 288 69 B V H >X5S+ 0 0 10 -4,-1.1 4,-2.2 2,-0.2 3,-0.5 0.967 110.0 58.6 -67.8 -60.7 49.1 6.0 66.6 289 70 B V H 3X5S+ 0 0 19 -4,-1.8 4,-1.8 1,-0.3 -3,-0.2 0.842 116.2 31.0 -41.7 -57.6 51.8 6.6 69.3 290 71 B N H 3>X S+ 0 0 4 -4,-2.2 4,-1.5 2,-0.2 3,-0.8 0.884 109.0 65.4 -76.2 -42.9 47.3 8.5 72.0 293 74 B K H >X S+ 0 0 63 -4,-1.8 3,-0.8 -5,-0.3 4,-0.8 0.915 103.3 44.3 -44.0 -60.3 50.0 10.5 73.8 294 75 B E H 3X S+ 0 0 115 -4,-2.0 4,-0.6 1,-0.2 -1,-0.3 0.697 106.2 60.9 -64.0 -21.8 48.1 13.8 73.7 295 76 B R H << S+ 0 0 112 -3,-0.8 3,-0.5 -4,-0.5 6,-0.3 0.828 103.7 50.8 -74.7 -31.6 44.8 12.2 74.8 296 77 B L H << S+ 0 0 19 -4,-1.5 -1,-0.2 -3,-0.8 -2,-0.2 0.707 100.4 65.7 -75.9 -21.2 46.5 11.1 78.0 297 78 B R H < S+ 0 0 132 -4,-0.8 -1,-0.2 -5,-0.2 -2,-0.2 0.737 78.8 102.6 -71.8 -25.3 47.7 14.7 78.5 298 79 B Q S >X S- 0 0 68 -4,-0.6 4,-0.9 -3,-0.5 3,-0.7 -0.310 82.0-119.2 -59.4 146.6 44.1 15.9 78.9 299 80 B P H >> S+ 0 0 85 0, 0.0 4,-2.5 0, 0.0 3,-0.8 0.868 104.9 62.7 -53.1 -52.3 43.0 16.7 82.6 300 81 B D H 3>>S+ 0 0 74 1,-0.3 4,-2.6 2,-0.2 5,-1.2 0.825 103.2 51.0 -47.2 -39.0 40.1 14.2 82.9 301 82 B A H <45S+ 0 0 3 -3,-0.7 -1,-0.3 -6,-0.3 -50,-0.1 0.860 115.1 42.2 -69.8 -35.5 42.5 11.2 82.4 302 83 B Q H <<5S+ 0 0 111 -4,-0.9 -2,-0.2 -3,-0.8 -1,-0.2 0.750 122.0 39.3 -83.2 -25.5 44.9 12.5 85.0 303 84 B E H <5S+ 0 0 155 -4,-2.5 -2,-0.2 2,-0.1 -3,-0.2 0.856 132.0 19.4 -92.2 -41.3 42.1 13.5 87.5 304 85 B N T <5S- 0 0 84 -4,-2.6 -79,-0.5 -5,-0.3 -3,-0.2 0.856 113.2 -98.7 -96.9 -44.6 39.6 10.7 87.2 305 86 B G < - 0 0 0 -5,-1.2 -54,-2.7 -81,-0.2 2,-0.3 -0.555 28.5-100.3 136.7 158.8 41.6 7.9 85.6 306 87 B W E - i 0 251C 30 -81,-0.4 -79,-2.4 -56,-0.2 2,-0.4 -0.841 15.5-163.8-115.1 151.4 42.3 6.3 82.1 307 88 B L E -gi 227 252C 0 -56,-2.3 -54,-1.7 -2,-0.3 -79,-0.2 -0.883 16.4-156.1-133.1 96.0 40.9 3.2 80.4 308 89 B L E -g 228 0C 1 -81,-2.2 -79,-1.5 -2,-0.4 2,-0.3 -0.419 9.6-173.1 -72.4 152.3 43.0 2.1 77.4 309 90 B D E +g 229 0C 8 -81,-0.2 -54,-1.8 -2,-0.1 -53,-0.5 -0.915 68.0 1.1-150.5 114.5 41.4 0.1 74.7 310 91 B G S S+ 0 0 2 -81,-1.4 -80,-0.1 -2,-0.3 3,-0.1 0.883 97.0 143.1 76.2 38.9 43.3 -1.5 71.8 311 92 B Y + 0 0 1 -82,-0.6 -1,-0.2 1,-0.3 -82,-0.2 -0.885 45.6 24.1-169.1 133.2 46.7 -0.2 72.8 312 93 B P + 0 0 2 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.664 59.1 164.8 -79.9 176.2 49.4 -1.2 72.8 313 94 B R + 0 0 90 1,-0.3 2,-0.3 -2,-0.1 86,-0.1 0.234 63.4 33.6-136.2 7.2 49.4 -3.7 70.0 314 95 B S S > S- 0 0 18 1,-0.1 4,-2.5 84,-0.1 -1,-0.3 -0.981 84.4-102.9-159.5 159.5 53.2 -4.1 69.5 315 96 B Y H > S+ 0 0 125 -2,-0.3 4,-2.9 1,-0.2 5,-0.2 0.934 119.5 50.0 -50.4 -56.6 56.5 -4.1 71.4 316 97 B S H > S+ 0 0 58 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.907 111.2 50.0 -51.4 -46.4 57.4 -0.6 70.2 317 98 B Q H > S+ 0 0 8 2,-0.2 4,-1.0 1,-0.2 -1,-0.2 0.914 111.9 46.7 -59.5 -47.5 54.0 0.8 71.2 318 99 B A H >X S+ 0 0 5 -4,-2.5 4,-1.2 1,-0.2 3,-0.7 0.946 111.8 51.9 -60.2 -47.6 54.2 -0.8 74.7 319 100 B M H 3X S+ 0 0 50 -4,-2.9 4,-1.6 1,-0.2 -2,-0.2 0.834 97.2 66.5 -58.1 -38.2 57.7 0.5 75.1 320 101 B A H 3< S+ 0 0 22 -4,-2.2 -1,-0.2 1,-0.2 4,-0.2 0.900 104.8 45.1 -50.8 -44.5 56.8 4.1 74.2 321 102 B L H X<>S+ 0 0 15 -4,-1.0 5,-2.1 -3,-0.7 3,-1.5 0.837 105.1 58.9 -71.2 -36.1 54.7 4.3 77.4 322 103 B E H ><5S+ 0 0 29 -4,-1.2 3,-1.5 1,-0.3 -1,-0.2 0.843 97.5 62.2 -64.6 -30.6 57.2 2.7 79.7 323 104 B T T 3<5S+ 0 0 111 -4,-1.6 -1,-0.3 1,-0.3 -2,-0.2 0.601 106.2 46.1 -69.9 -12.2 59.7 5.5 78.8 324 105 B L T < 5S- 0 0 76 -3,-1.5 -1,-0.3 -4,-0.2 -2,-0.2 0.189 118.6-109.1-112.4 10.6 57.2 8.1 80.3 325 106 B E T < 5 + 0 0 161 -3,-1.5 2,-0.9 1,-0.2 -3,-0.2 0.813 68.2 148.9 64.5 32.4 56.5 6.1 83.5 326 107 B I < + 0 0 32 -5,-2.1 -1,-0.2 0, 0.0 -2,-0.1 -0.853 11.8 153.3-102.3 103.2 53.0 5.2 82.3 327 108 B R - 0 0 62 -2,-0.9 77,-0.1 -3,-0.1 -101,-0.0 -0.983 33.7-131.7-130.3 139.3 52.1 1.8 83.8 328 109 B P - 0 0 11 0, 0.0 -101,-0.2 0, 0.0 3,-0.1 -0.109 16.6-121.6 -79.2-176.8 48.5 0.5 84.5 329 110 B D S S- 0 0 39 -103,-1.9 2,-0.3 1,-0.4 -102,-0.1 0.787 92.1 -1.7 -93.3 -39.7 47.2 -1.2 87.6 330 111 B T E -h 227 0C 20 -104,-0.6 -102,-0.7 2,-0.0 2,-0.6 -0.982 61.0-136.3-150.5 155.7 46.1 -4.4 85.8 331 112 B F E -hj 228 407C 11 75,-2.0 77,-2.6 -2,-0.3 2,-0.6 -0.938 20.7-158.7-119.1 106.9 46.0 -5.7 82.2 332 113 B I E -hj 229 408C 0 -104,-2.3 -102,-1.7 -2,-0.6 2,-0.5 -0.770 6.7-170.0 -92.5 119.7 42.7 -7.4 81.3 333 114 B L E -hj 230 409C 35 75,-2.1 77,-2.8 -2,-0.6 2,-0.8 -0.926 16.3-140.9-109.8 126.5 42.9 -9.9 78.4 334 115 B L E -hj 231 410C 5 -104,-2.1 2,-0.7 -2,-0.5 -102,-0.6 -0.766 15.7-154.2 -88.1 111.2 39.6 -11.2 77.0 335 116 B D E + j 0 411C 66 75,-2.7 77,-2.9 -2,-0.8 78,-0.5 -0.776 24.1 163.1 -91.1 112.0 40.1 -14.9 76.1 336 117 B V - 0 0 11 -2,-0.7 2,-0.3 75,-0.2 -104,-0.1 -0.980 40.6-113.5-130.9 136.9 37.8 -16.1 73.3 337 118 B P >> - 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