==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-AUG-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 04-APR-12 4EHW . COMPND 2 MOLECULE: TETRAACYLDISACCHARIDE 4'-KINASE; . SOURCE 2 ORGANISM_SCIENTIFIC: AQUIFEX AEOLICUS; . AUTHOR R.P.EMPTAGE,K.D.DAUGHTRY,C.W.PEMBLE IV,C.R.H.RAETZ . 308 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15414.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 209 67.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 49 15.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 23 7.5 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.3 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 . 24 7.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 38 12.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 62 20.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 1.0 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 3 0 0 0 1 2 0 1 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 0 4 2 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 . 1 2 1 0 0 0 0 1 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 1 0 0 1 0 0 1 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 8 A P 0 0 139 0, 0.0 4,-0.2 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -3.3 54.3 61.4 74.5 2 9 A F > + 0 0 143 2,-0.1 4,-2.1 155,-0.1 5,-0.1 0.308 360.0 73.8 -93.1 -9.8 55.8 61.9 71.1 3 10 A S H > S+ 0 0 13 1,-0.2 4,-1.9 2,-0.2 155,-0.1 0.758 84.6 62.9 -68.4 -27.0 54.6 65.4 72.1 4 11 A Y H > S+ 0 0 169 2,-0.2 4,-0.8 1,-0.2 -1,-0.2 0.910 110.5 36.4 -64.2 -41.9 57.5 65.5 74.5 5 12 A L H > S+ 0 0 79 2,-0.2 4,-1.9 1,-0.2 -2,-0.2 0.801 110.5 59.1 -83.9 -34.2 60.0 65.4 71.7 6 13 A Y H X S+ 0 0 63 -4,-2.1 4,-2.5 1,-0.2 3,-0.3 0.940 104.3 54.8 -56.3 -44.1 58.0 67.4 69.2 7 14 A E H X S+ 0 0 65 -4,-1.9 4,-2.3 1,-0.2 -1,-0.2 0.879 105.7 52.8 -52.6 -40.6 58.3 70.1 71.9 8 15 A K H X S+ 0 0 113 -4,-0.8 4,-1.8 1,-0.2 -1,-0.2 0.854 109.4 47.1 -69.7 -35.0 62.1 69.7 71.8 9 16 A I H X S+ 0 0 97 -4,-1.9 4,-2.6 -3,-0.3 -2,-0.2 0.911 113.0 47.9 -70.0 -45.6 62.3 70.2 68.1 10 17 A I H X S+ 0 0 16 -4,-2.5 4,-2.7 2,-0.2 -2,-0.2 0.910 110.5 53.1 -60.6 -44.0 60.1 73.3 68.1 11 18 A N H X S+ 0 0 29 -4,-2.3 4,-2.4 -5,-0.2 -1,-0.2 0.927 109.0 48.9 -56.0 -49.1 62.1 74.7 71.0 12 19 A F H X S+ 0 0 134 -4,-1.8 4,-2.9 1,-0.2 5,-0.2 0.962 109.9 51.9 -55.6 -54.4 65.3 74.2 69.0 13 20 A R H X S+ 0 0 75 -4,-2.6 4,-1.8 1,-0.2 -1,-0.2 0.909 110.7 48.3 -48.6 -47.0 63.8 75.9 66.0 14 21 A N H X S+ 0 0 3 -4,-2.7 4,-2.5 2,-0.2 -1,-0.2 0.876 109.5 52.3 -65.8 -34.9 62.7 78.9 68.1 15 22 A T H X S+ 0 0 61 -4,-2.4 4,-3.0 2,-0.2 6,-0.2 0.937 104.1 56.6 -66.4 -45.4 66.2 79.1 69.7 16 23 A L H <>S+ 0 0 34 -4,-2.9 5,-2.5 1,-0.2 6,-0.9 0.913 111.0 45.0 -48.6 -46.2 67.8 79.2 66.2 17 24 A Y H ><5S+ 0 0 24 -4,-1.8 3,-1.3 -5,-0.2 -1,-0.2 0.940 111.9 51.0 -65.1 -44.5 65.6 82.2 65.4 18 25 A D H 3<5S+ 0 0 105 -4,-2.5 -2,-0.2 1,-0.3 -1,-0.2 0.902 114.1 44.5 -59.5 -40.5 66.4 83.9 68.8 19 26 A K T 3<5S- 0 0 146 -4,-3.0 -1,-0.3 -5,-0.1 -2,-0.2 0.244 116.0-107.4 -94.4 9.8 70.1 83.5 68.3 20 27 A G T < 5S+ 0 0 60 -3,-1.3 -3,-0.2 -4,-0.3 -4,-0.1 0.697 82.0 124.0 77.9 21.7 70.4 84.6 64.7 21 28 A F < + 0 0 137 -5,-2.5 2,-0.4 -6,-0.2 -4,-0.2 0.609 68.7 54.4 -86.9 -15.4 71.0 81.2 63.1 22 29 A L S S- 0 0 62 -6,-0.9 -2,-0.1 -5,-0.1 -1,-0.1 -0.980 94.9-111.3-120.3 133.2 68.0 81.4 60.8 23 30 A K - 0 0 165 -2,-0.4 2,-0.4 1,-0.0 -2,-0.1 -0.304 26.9-163.3 -66.5 142.0 67.6 84.4 58.4 24 31 A I - 0 0 86 -4,-0.1 2,-0.3 115,-0.1 115,-0.2 -0.995 7.1-160.2-123.9 131.7 64.8 87.0 59.0 25 32 A K B -a 139 0A 70 113,-3.1 115,-2.7 -2,-0.4 2,-0.4 -0.752 3.8-145.6-112.1 157.2 63.8 89.4 56.3 26 33 A K - 0 0 108 -2,-0.3 115,-0.1 113,-0.2 113,-0.1 -0.974 5.7-142.1-129.6 129.0 61.9 92.7 56.5 27 34 A L - 0 0 1 -2,-0.4 4,-0.1 113,-0.4 86,-0.0 -0.579 28.1-120.2 -78.4 148.4 59.4 94.3 54.1 28 35 A P S S+ 0 0 96 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.234 93.3 57.6 -81.3 14.8 59.7 98.2 53.8 29 36 A V S S- 0 0 30 0, 0.0 -2,-0.2 0, 0.0 98,-0.1 -0.950 104.6 -74.3-137.0 159.5 56.2 98.8 55.0 30 37 A P - 0 0 23 0, 0.0 98,-2.3 0, 0.0 2,-0.4 -0.185 43.8-156.2 -59.3 142.1 54.6 97.8 58.3 31 38 A V E -b 128 0B 1 96,-0.2 111,-2.4 -4,-0.1 112,-1.5 -0.978 6.9-166.8-119.0 129.3 53.6 94.2 58.7 32 39 A I E -bc 129 143B 0 96,-2.7 98,-3.2 -2,-0.4 2,-0.4 -0.972 11.8-155.4-111.5 121.4 50.9 92.9 61.1 33 40 A S E -bc 130 144B 0 110,-2.5 112,-2.9 -2,-0.5 2,-0.5 -0.815 6.7-166.9 -98.2 134.3 50.8 89.2 61.8 34 41 A V E + c 0 145B 0 96,-2.5 99,-2.0 -2,-0.4 98,-0.5 -0.983 30.2 133.9-114.4 130.3 47.7 87.4 62.9 35 42 A G E - c 0 146B 0 110,-1.7 112,-3.2 -2,-0.5 2,-0.3 -0.889 34.3-145.0-157.6-179.0 48.2 83.8 64.1 36 43 A N E - c 0 147B 2 -2,-0.3 99,-0.1 110,-0.2 112,-0.1 -0.900 22.8-123.6-150.0-177.3 47.5 81.2 66.7 37 44 A L S S+ 0 0 0 110,-0.6 127,-3.9 -2,-0.3 128,-0.7 0.703 82.7 63.0-102.1 -25.9 49.1 78.2 68.5 38 45 A S B S-J 163 0C 1 125,-0.3 2,-0.3 126,-0.2 125,-0.2 -0.635 72.0-125.5-108.4 155.0 46.7 75.4 67.7 39 46 A V S S+ 0 0 55 123,-2.2 2,-0.2 -2,-0.2 123,-0.1 -0.676 76.6 51.3 -81.8 153.9 45.4 73.5 64.7 40 47 A G S S- 0 0 50 -2,-0.3 -2,-0.1 0, 0.0 0, 0.0 -0.461 102.6 -5.7 108.9 176.8 41.6 73.6 64.5 41 48 A G + 0 0 46 -2,-0.2 -3,-0.1 1,-0.1 -2,-0.0 -0.120 65.5 156.8 -46.0 124.8 38.9 76.2 64.6 42 49 A S - 0 0 19 -6,-0.0 -1,-0.1 106,-0.0 137,-0.1 0.673 48.9-127.5-127.8 -31.0 40.5 79.5 65.4 43 50 A G S > S+ 0 0 7 136,-0.1 4,-2.5 104,-0.0 5,-0.2 0.473 71.9 125.8 86.0 -1.6 38.7 82.7 64.3 44 51 A K H > S+ 0 0 16 2,-0.2 4,-3.2 1,-0.2 5,-0.2 0.952 74.2 48.6 -48.5 -54.4 41.9 83.7 62.6 45 52 A T H > S+ 0 0 42 1,-0.2 4,-2.0 2,-0.2 5,-0.2 0.959 111.1 47.4 -54.0 -59.6 39.9 84.1 59.4 46 53 A S H > S+ 0 0 31 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.876 116.6 46.2 -48.3 -39.1 37.1 86.2 61.0 47 54 A F H X S+ 0 0 0 -4,-2.5 4,-3.0 2,-0.2 -2,-0.2 0.873 104.9 56.9 -82.1 -34.6 39.7 88.4 62.7 48 55 A V H X S+ 0 0 0 -4,-3.2 4,-2.2 -5,-0.2 -1,-0.2 0.953 112.8 44.7 -56.1 -44.3 41.9 88.9 59.6 49 56 A M H X S+ 0 0 24 -4,-2.0 4,-2.5 -5,-0.2 -2,-0.2 0.948 112.1 49.8 -65.5 -51.0 38.8 90.3 57.9 50 57 A Y H X S+ 0 0 23 -4,-2.2 4,-1.8 1,-0.2 -1,-0.2 0.912 112.2 49.9 -49.3 -46.6 37.7 92.4 60.9 51 58 A L H X S+ 0 0 0 -4,-3.0 4,-1.0 2,-0.2 -1,-0.2 0.883 107.5 52.7 -63.7 -40.4 41.3 93.8 61.1 52 59 A A H >< S+ 0 0 2 -4,-2.2 3,-0.9 1,-0.2 -1,-0.2 0.940 107.7 52.7 -60.7 -47.3 41.3 94.7 57.4 53 60 A D H >< S+ 0 0 90 -4,-2.5 3,-1.5 1,-0.2 -1,-0.2 0.861 102.9 57.7 -52.0 -42.5 38.0 96.6 57.9 54 61 A L H 3< S+ 0 0 19 -4,-1.8 3,-0.3 1,-0.3 -1,-0.2 0.788 100.6 58.9 -62.9 -23.9 39.6 98.6 60.7 55 62 A L T X< + 0 0 0 -4,-1.0 3,-2.3 -3,-0.9 -1,-0.3 0.153 66.6 137.9 -91.5 24.1 42.3 99.8 58.3 56 63 A K T < + 0 0 166 -3,-1.5 -1,-0.2 1,-0.3 -2,-0.1 0.480 68.4 52.4 -55.7 -6.0 39.7 101.3 55.9 57 64 A D T 3 S+ 0 0 107 -3,-0.3 2,-0.4 2,-0.0 -1,-0.3 0.018 101.9 75.2-114.5 25.3 41.8 104.4 55.3 58 65 A K S < S- 0 0 52 -3,-2.3 2,-0.8 69,-0.0 -3,-0.0 -0.979 89.1-111.2-133.9 144.1 44.9 102.5 54.4 59 66 A R - 0 0 114 -2,-0.4 67,-2.3 65,-0.1 68,-1.9 -0.729 48.7-163.5 -72.9 110.0 45.9 100.6 51.3 60 67 A V E -d 127 0B 4 -2,-0.8 45,-2.6 43,-0.4 2,-0.4 -0.826 17.7-174.6-105.9 132.8 45.8 97.0 52.8 61 68 A C E -de 128 105B 0 66,-2.5 68,-2.4 -2,-0.4 2,-0.5 -0.989 14.2-147.6-126.4 129.4 47.2 93.8 51.4 62 69 A I E -de 129 106B 0 43,-3.2 45,-2.8 -2,-0.4 2,-0.8 -0.796 6.0-151.6 -91.8 126.9 46.7 90.4 52.9 63 70 A L E +de 130 107B 2 66,-2.7 68,-1.8 -2,-0.5 2,-0.3 -0.858 26.0 170.4 -98.7 106.3 49.5 87.9 52.6 64 71 A S E - e 0 108B 1 43,-3.0 45,-2.4 -2,-0.8 68,-0.1 -0.786 34.8-143.4-115.1 154.3 48.0 84.4 52.6 65 72 A R - 0 0 49 -2,-0.3 2,-0.5 43,-0.3 43,-0.1 0.670 30.9-138.9 -93.7 -18.2 49.7 81.1 51.9 66 73 A G - 0 0 0 41,-0.1 27,-0.5 43,-0.1 2,-0.2 -0.350 14.3-149.1 99.2 -51.6 46.8 79.5 50.1 67 74 A Y S S+ 0 0 105 -2,-0.5 2,-0.7 24,-0.1 43,-0.0 -0.556 74.3 12.4 64.5-145.6 46.8 76.0 51.5 68 75 A K S S+ 0 0 173 -2,-0.2 24,-0.5 2,-0.1 2,-0.3 -0.411 83.7 155.6 -68.0 104.8 45.5 73.6 48.8 69 76 A R - 0 0 28 -2,-0.7 20,-0.2 2,-0.3 19,-0.1 -0.926 52.9-122.0-126.8 156.9 45.2 75.4 45.5 70 77 A K S S+ 0 0 130 18,-3.3 2,-0.2 -2,-0.3 19,-0.2 0.303 92.3 61.0 -74.3 8.7 45.2 74.4 41.8 71 78 A S - 0 0 28 18,-0.3 2,-0.4 17,-0.3 -2,-0.3 -0.773 69.0-135.5-130.7 176.4 48.3 76.6 41.2 72 79 A K + 0 0 205 -2,-0.2 -2,-0.0 2,-0.1 2,-0.0 -0.997 55.5 18.1-136.6 138.7 51.9 77.2 42.2 73 80 A G S S- 0 0 38 -2,-0.4 35,-0.1 2,-0.1 -2,-0.0 -0.066 96.9 -25.5 97.7 165.8 53.9 80.2 43.0 74 81 A T + 0 0 33 35,-0.1 2,-0.4 33,-0.1 35,-0.2 -0.234 66.9 179.3 -53.4 132.8 53.4 83.8 44.1 75 82 A L E -F 108 0B 38 33,-2.2 33,-3.0 15,-0.1 2,-0.8 -0.976 32.5-137.6-149.5 123.5 50.0 85.0 42.9 76 83 A I E -F 107 0B 15 -2,-0.4 31,-0.2 31,-0.2 3,-0.1 -0.738 23.6-179.7 -79.5 111.9 47.9 88.2 43.2 77 84 A V E + 0 0 0 29,-2.1 7,-2.7 -2,-0.8 8,-0.9 0.869 66.3 8.2 -81.6 -37.1 44.4 87.0 44.0 78 85 A S E -FG 106 83B 0 28,-1.9 28,-1.6 5,-0.3 2,-0.7 -0.996 57.9-147.6-150.0 136.7 42.8 90.4 44.2 79 86 A E E > S- G 0 82B 42 3,-2.7 3,-2.0 -2,-0.3 26,-0.2 -0.875 85.1 -41.9-108.9 100.7 43.8 94.0 43.4 80 87 A Y T 3 S- 0 0 69 -2,-0.7 25,-0.3 1,-0.3 -1,-0.1 0.870 127.7 -36.0 40.7 45.1 41.9 96.2 45.9 81 88 A G T 3 S+ 0 0 26 23,-1.2 2,-1.1 1,-0.2 -1,-0.3 0.249 110.6 121.2 100.3 -10.4 38.8 94.1 45.4 82 89 A N E < -G 79 0B 85 -3,-2.0 -3,-2.7 21,-0.0 -1,-0.2 -0.759 61.1-139.1 -86.5 103.3 39.3 93.4 41.7 83 90 A L E +G 78 0B 46 -2,-1.1 -5,-0.3 -5,-0.3 -6,-0.1 -0.446 25.0 178.4 -65.5 127.2 39.4 89.5 41.6 84 91 A K + 0 0 106 -7,-2.7 2,-0.3 -2,-0.2 -6,-0.2 0.575 60.4 29.9-109.6 -15.2 42.1 88.3 39.2 85 92 A V S S- 0 0 22 -8,-0.9 -1,-0.1 -10,-0.1 2,-0.1 -0.923 80.2-100.3-140.1 167.6 41.9 84.5 39.6 86 93 A S > - 0 0 38 -2,-0.3 4,-2.2 1,-0.1 5,-0.2 -0.331 37.9-107.6 -82.8 170.4 39.3 81.8 40.3 87 94 A W H > S+ 0 0 40 1,-0.2 4,-2.7 2,-0.2 8,-0.2 0.869 118.9 61.7 -69.0 -34.3 38.9 80.1 43.7 88 95 A E H 4 S+ 0 0 76 1,-0.2 -18,-3.3 2,-0.2 -17,-0.3 0.926 112.6 36.8 -51.5 -48.2 40.5 76.9 42.3 89 96 A E H 4 S+ 0 0 82 -20,-0.2 -18,-0.3 -19,-0.2 -2,-0.2 0.810 120.9 46.9 -76.2 -31.7 43.7 78.9 41.5 90 97 A A H < S- 0 0 0 -4,-2.2 -2,-0.2 1,-0.1 -3,-0.2 0.801 106.6-117.7 -82.0 -30.9 43.5 81.0 44.7 91 98 A G X - 0 0 1 -4,-2.7 4,-1.7 -5,-0.2 5,-0.2 -0.022 32.4 -85.4 93.9 149.0 42.8 78.5 47.4 92 99 A D H > S+ 0 0 23 -24,-0.5 4,-2.8 -26,-0.2 5,-0.2 0.932 120.7 44.9 -57.3 -54.3 39.6 78.5 49.4 93 100 A E H > S+ 0 0 30 -27,-0.5 4,-2.5 2,-0.2 5,-0.2 0.938 113.4 44.7 -60.2 -56.7 40.7 81.0 52.2 94 101 A P H > S+ 0 0 0 0, 0.0 4,-2.6 0, 0.0 -1,-0.2 0.880 115.7 50.3 -59.2 -37.2 42.4 83.7 50.2 95 102 A Y H X S+ 0 0 18 -4,-1.7 4,-3.0 2,-0.2 -2,-0.2 0.969 109.0 50.7 -65.5 -48.5 39.5 83.7 47.7 96 103 A L H X S+ 0 0 8 -4,-2.8 4,-1.7 -5,-0.2 -1,-0.2 0.905 113.6 45.7 -54.7 -44.6 36.9 83.9 50.5 97 104 A M H X S+ 0 0 0 -4,-2.5 4,-1.5 2,-0.2 -1,-0.2 0.895 110.2 53.1 -65.4 -42.5 38.7 86.9 52.0 98 105 A A H < S+ 0 0 2 -4,-2.6 3,-0.4 -5,-0.2 -2,-0.2 0.939 111.2 49.1 -56.0 -44.9 39.1 88.5 48.6 99 106 A K H < S+ 0 0 69 -4,-3.0 -1,-0.2 1,-0.2 -2,-0.2 0.851 114.6 42.1 -63.7 -37.4 35.4 88.1 48.1 100 107 A L H < S+ 0 0 51 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.598 111.0 56.8 -90.0 -11.4 34.4 89.6 51.4 101 108 A L >< + 0 0 7 -4,-1.5 3,-1.9 -3,-0.4 -1,-0.2 -0.667 58.8 173.2-123.3 79.4 36.9 92.5 51.4 102 109 A P T 3 S+ 0 0 82 0, 0.0 -1,-0.1 0, 0.0 -4,-0.1 0.627 78.8 51.3 -64.6 -14.4 36.2 94.5 48.3 103 110 A H T 3 S+ 0 0 147 -22,-0.1 -43,-0.4 2,-0.1 2,-0.3 0.489 100.3 80.4 -96.6 -1.9 38.6 97.3 49.3 104 111 A V < - 0 0 8 -3,-1.9 -23,-1.2 -6,-0.2 2,-0.3 -0.738 69.4-130.6-116.3 149.9 41.6 95.1 50.0 105 112 A S E -e 61 0B 0 -45,-2.6 -43,-3.2 -2,-0.3 2,-0.4 -0.727 20.4-161.9 -94.2 149.9 44.3 93.3 48.1 106 113 A V E -eF 62 78B 0 -28,-1.6 -29,-2.1 -2,-0.3 -28,-1.9 -0.998 5.4-171.9-133.4 132.1 45.0 89.6 48.6 107 114 A V E -eF 63 76B 0 -45,-2.8 -43,-3.0 -2,-0.4 2,-0.5 -0.981 10.6-153.6-124.9 135.7 48.2 87.6 47.7 108 115 A A E +eF 64 75B 0 -33,-3.0 -33,-2.2 -2,-0.4 2,-0.3 -0.945 33.8 143.0-108.7 125.9 48.7 83.9 47.9 109 116 A S - 0 0 3 -45,-2.4 -43,-0.1 -2,-0.5 -35,-0.1 -0.862 46.8-154.1-165.7 125.3 52.3 82.8 48.3 110 117 A E S S+ 0 0 116 -2,-0.3 2,-1.3 1,-0.2 3,-0.1 0.939 101.4 60.7 -66.1 -42.0 54.3 80.1 50.1 111 118 A D S > S- 0 0 63 1,-0.2 4,-2.2 -3,-0.1 -1,-0.2 -0.707 77.3-174.8 -81.8 96.1 57.3 82.5 50.0 112 119 A R H > S+ 0 0 2 -2,-1.3 4,-2.4 2,-0.2 -1,-0.2 0.907 77.5 52.3 -65.8 -43.3 55.6 85.3 52.0 113 120 A Y H > S+ 0 0 59 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.946 110.3 50.1 -58.3 -47.4 58.3 87.8 51.7 114 121 A K H > S+ 0 0 104 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.911 107.1 53.7 -56.0 -46.3 58.3 87.4 47.9 115 122 A G H X S+ 0 0 0 -4,-2.2 4,-2.2 1,-0.2 -1,-0.2 0.918 108.2 52.8 -52.0 -43.9 54.5 87.8 47.9 116 123 A G H X S+ 0 0 0 -4,-2.4 4,-2.4 1,-0.2 -2,-0.2 0.921 107.4 49.1 -60.6 -46.3 55.2 91.1 49.7 117 124 A L H X S+ 0 0 74 -4,-2.2 4,-2.5 1,-0.2 -1,-0.2 0.905 110.6 50.6 -62.4 -41.8 57.7 92.3 47.2 118 125 A L H X S+ 0 0 47 -4,-2.4 4,-2.3 2,-0.2 5,-0.3 0.889 108.9 51.9 -62.1 -43.1 55.3 91.6 44.3 119 126 A A H X>S+ 0 0 0 -4,-2.2 4,-4.1 -5,-0.2 5,-1.1 0.952 110.5 48.2 -59.1 -48.1 52.5 93.4 46.0 120 127 A L H X5S+ 0 0 33 -4,-2.4 4,-0.8 3,-0.2 -2,-0.2 0.919 110.8 51.3 -58.5 -47.1 54.7 96.5 46.5 121 128 A E H <5S+ 0 0 161 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.942 127.2 21.8 -50.4 -51.1 55.8 96.5 42.9 122 129 A K H <5S+ 0 0 119 -4,-2.3 -2,-0.2 -5,-0.1 -1,-0.2 0.731 138.1 21.5 -99.8 -26.3 52.3 96.3 41.6 123 130 A L H <5S- 0 0 17 -4,-4.1 -3,-0.2 -5,-0.3 -2,-0.1 0.574 75.2-146.8-124.0 -18.1 50.0 97.6 44.3 124 131 A S << - 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0 0 70 -115,-2.7 -113,-0.4 -2,-0.6 2,-0.4 -0.382 22.5-165.0 -62.6 130.0 59.6 90.3 60.5 141 148 A R - 0 0 30 -2,-0.1 3,-0.2 1,-0.1 -109,-0.2 -0.944 19.4-155.7-115.8 142.9 56.3 91.7 61.8 142 149 A D S S+ 0 0 57 -111,-2.4 2,-0.4 -2,-0.4 -110,-0.2 0.670 92.8 32.5 -86.0 -21.4 55.9 95.1 63.5 143 150 A L E S-c 32 0B 7 -112,-1.5 -110,-2.5 2,-0.1 2,-0.9 -0.914 72.2-164.2-139.0 109.8 52.8 93.9 65.3 144 151 A N E -c 33 0B 10 -2,-0.4 30,-3.0 -3,-0.2 31,-1.5 -0.814 11.2-170.8 -98.0 98.6 52.6 90.3 66.3 145 152 A I E -ch 34 175B 2 -112,-2.9 -110,-1.7 -2,-0.9 2,-0.5 -0.812 2.1-164.0 -96.4 127.2 48.9 89.5 67.2 146 153 A L E -ch 35 176B 0 29,-2.6 31,-2.3 -2,-0.5 2,-0.4 -0.934 7.5-147.3-115.9 125.6 48.2 86.1 68.7 147 154 A L E -ch 36 177B 2 -112,-3.2 -110,-0.6 -2,-0.5 2,-0.4 -0.717 18.2-178.3 -90.2 137.6 44.7 84.5 69.0 148 155 A L E - h 0 178B 0 29,-3.1 31,-2.0 -2,-0.4 2,-0.3 -0.989 9.6-168.3-139.6 127.7 43.8 82.3 71.9 149 156 A K E >> - h 0 179B 22 -2,-0.4 3,-0.8 29,-0.2 4,-0.6 -0.801 39.8-106.5-107.4 157.8 40.7 80.4 72.7 150 157 A K H >> S+ 0 0 87 29,-0.5 3,-1.3 34,-0.4 4,-0.7 0.864 117.0 60.9 -48.9 -45.1 39.9 78.8 76.1 151 158 A K H >4 S+ 0 0 82 1,-0.3 3,-1.8 2,-0.2 -1,-0.2 0.906 92.3 66.0 -50.2 -49.2 40.5 75.3 74.7 152 159 A D H X4 S+ 0 0 4 -3,-0.8 3,-1.3 1,-0.3 -1,-0.3 0.792 95.9 56.9 -41.5 -39.7 44.2 76.1 73.8 153 160 A L H << S+ 0 0 59 -3,-1.3 -1,-0.3 -4,-0.6 -2,-0.2 0.804 108.5 44.6 -70.3 -29.4 45.1 76.5 77.5 154 161 A K T << S+ 0 0 138 -3,-1.8 -1,-0.3 -4,-0.7 -2,-0.2 0.163 101.9 102.7 -98.0 16.7 44.0 73.0 78.4 155 162 A D < - 0 0 26 -3,-1.3 2,-0.3 -4,-0.2 12,-0.1 -0.432 58.1-140.2-104.9 170.6 45.6 71.6 75.4 156 163 A R - 0 0 184 -2,-0.1 7,-3.1 1,-0.1 -2,-0.1 -0.771 30.0 -88.9-120.8 168.7 48.8 69.6 74.6 157 164 A L B >> -k 163 0C 11 -2,-0.3 4,-3.3 5,-0.2 3,-0.6 -0.324 64.8 -54.2 -69.2 157.4 51.4 69.6 71.8 158 165 A L T 34 S+ 0 0 48 5,-2.1 -152,-0.2 1,-0.3 -151,-0.2 -0.389 116.6 28.5 -58.9 150.7 51.1 67.6 68.7 159 166 A P T 34 S+ 0 0 84 0, 0.0 -1,-0.3 0, 0.0 5,-0.0 -0.995 131.5 36.5 -91.5 -3.5 50.7 64.8 68.1 160 167 A A T <4 S+ 0 0 54 -3,-0.6 -2,-0.3 3,-0.1 2,-0.2 0.964 128.8 13.5 -63.9 -55.8 48.8 64.2 71.4 161 168 A G S < S- 0 0 8 -4,-3.3 -6,-0.1 2,-0.1 -4,-0.1 -0.466 86.5 -96.8-114.9-172.5 47.0 67.6 71.4 162 169 A N S S+ 0 0 55 -2,-0.2 -123,-2.2 -4,-0.1 2,-0.3 0.425 75.8 119.9 -90.7 0.3 46.4 70.4 68.9 163 170 A L B -Jk 38 157C 4 -7,-3.1 -5,-2.1 -125,-0.2 -125,-0.3 -0.527 39.2-172.6 -73.9 126.5 49.2 72.8 70.0 164 171 A R S S+ 0 0 47 -127,-3.9 -1,-0.2 -2,-0.3 -126,-0.2 0.752 80.2 19.2 -80.5 -31.5 51.7 73.6 67.2 165 172 A E S S- 0 0 0 -128,-0.7 -1,-0.2 -155,-0.0 -158,-0.1 -0.958 96.9 -89.8-136.3 154.8 54.0 75.5 69.8 166 173 A P > - 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