==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=5-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 07-JUN-07 2V2V . COMPND 2 MOLECULE: 4-DIPHOSPHOCYTIDYL-2C-METHYL-D-ERYTHRITOL KINASE; . SOURCE 2 ORGANISM_SCIENTIFIC: AQUIFEX AEOLICUS; . AUTHOR M.S.ALPHEY,W.N.HUNTER . 540 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 24682.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 390 72.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 16 3.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 101 18.7 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.4 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 . 2 0.4 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 . 49 9.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 50 9.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 150 27.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 10 1.9 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 1 2 0 0 0 2 2 2 4 2 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 3 0 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 PARALLEL BRIDGES PER LADDER . 0 2 2 3 1 4 0 0 0 0 0 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 2 0 0 1 1 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 S 0 0 82 0, 0.0 45,-1.1 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 152.4 34.6 8.6 44.0 2 0 A H + 0 0 142 43,-0.2 2,-0.1 1,-0.1 42,-0.1 0.160 360.0 178.7 -89.4 99.1 32.9 10.6 42.9 3 1 A M - 0 0 107 42,-0.1 2,-0.3 43,-0.1 42,-0.2 -0.390 5.6-178.1 -75.0 134.3 30.3 7.9 43.0 4 2 A I E -A 44 0A 56 40,-2.5 40,-2.8 -2,-0.1 2,-0.4 -0.911 18.7-138.0-120.3 153.1 26.7 8.5 41.8 5 3 A K E -A 43 0A 120 -2,-0.3 2,-0.4 38,-0.2 38,-0.2 -0.932 18.8-175.0-106.3 139.4 23.7 6.2 41.8 6 4 A V E -A 42 0A 28 36,-2.5 36,-2.4 -2,-0.4 2,-0.2 -0.995 19.9-132.7-133.5 127.8 21.4 6.2 38.8 7 5 A L E -A 41 0A 80 -2,-0.4 34,-0.2 34,-0.2 32,-0.0 -0.554 12.9-158.6 -76.4 140.6 18.1 4.2 38.6 8 6 A S E -A 40 0A 0 32,-2.7 32,-2.5 -2,-0.2 93,-0.2 -0.922 16.7-148.4-125.5 105.0 17.4 2.1 35.5 9 7 A P E -A 39 0A 16 0, 0.0 30,-0.2 0, 0.0 2,-0.1 -0.264 2.5-132.6 -81.9 156.4 13.7 1.4 35.0 10 8 A A E -A 36 0A 0 28,-1.9 26,-2.4 26,-0.8 2,-0.3 -0.374 17.8-149.7 -87.1 173.3 12.0 -1.6 33.4 11 9 A K E -A 35 0A 4 84,-1.8 2,-0.3 24,-0.3 24,-0.2 -0.950 3.2-148.9-134.2 165.4 9.2 -1.6 30.9 12 10 A I E -A 34 0A 0 22,-2.2 22,-2.2 -2,-0.3 2,-0.7 -0.956 21.0-124.0-121.7 150.6 6.2 -3.8 29.9 13 11 A N E -A 33 0A 3 -2,-0.3 2,-1.2 81,-0.3 20,-0.2 -0.878 14.8-159.6 -88.2 115.7 4.7 -4.3 26.5 14 12 A L E S- 0 0 0 18,-3.5 19,-0.1 -2,-0.7 224,-0.1 -0.475 75.0 -26.2 -88.6 58.5 1.0 -3.5 26.8 15 13 A G E - 0 0 0 -2,-1.2 17,-1.4 222,-0.3 2,-0.3 -0.001 66.2-152.6 107.4 144.6 0.3 -5.5 23.7 16 14 A L E -Ab 31 208A 6 191,-2.3 193,-0.9 15,-0.2 2,-0.3 -0.966 7.7-173.1-154.2 136.5 2.4 -6.5 20.7 17 15 A W E -A 30 0A 6 13,-2.8 13,-2.3 -2,-0.3 2,-0.5 -0.956 17.0-140.9-129.8 147.9 1.6 -7.3 17.0 18 16 A V E -Ac 29 185A 0 166,-0.5 168,-2.3 -2,-0.3 11,-0.3 -0.952 13.0-176.1-111.4 122.5 3.9 -8.6 14.2 19 17 A L E - 0 0 32 9,-2.7 2,-0.3 -2,-0.5 10,-0.2 0.870 56.7 -69.4 -85.9 -41.2 3.2 -7.1 10.8 20 18 A G E -A 28 0A 16 8,-1.2 8,-1.7 165,-0.1 -1,-0.3 -0.990 58.7 -49.8 175.7-168.1 5.7 -9.2 8.9 21 19 A R E -A 27 0A 154 -2,-0.3 6,-0.2 6,-0.2 5,-0.1 -0.652 38.6-149.8 -87.3 142.5 9.3 -10.2 8.1 22 20 A L > - 0 0 49 4,-2.8 3,-1.4 -2,-0.3 0, 0.0 -0.755 26.2-120.4 -98.7 156.5 12.1 -7.7 7.2 23 21 A P T 3 S+ 0 0 132 0, 0.0 -1,-0.1 0, 0.0 4,-0.0 0.906 111.3 74.1 -55.4 -38.0 15.0 -8.6 4.8 24 22 A S T 3 S- 0 0 86 1,-0.2 3,-0.1 -3,-0.0 2,-0.1 0.368 117.1-112.9 -57.6 1.4 17.1 -7.7 7.8 25 23 A G S < S+ 0 0 53 -3,-1.4 -1,-0.2 1,-0.3 -3,-0.0 -0.116 90.7 102.5 85.6 -35.3 16.0 -11.0 9.5 26 24 A Y S S- 0 0 156 -5,-0.1 -4,-2.8 -2,-0.1 2,-0.4 0.110 70.6-119.2 -65.2-177.3 14.2 -8.9 12.0 27 25 A H E -A 21 0A 16 -6,-0.2 2,-0.4 -3,-0.1 -6,-0.2 -0.978 11.5-121.3-133.2 144.1 10.4 -8.2 12.1 28 26 A E E +A 20 0A 81 -8,-1.7 -9,-2.7 -2,-0.4 -8,-1.2 -0.743 44.2 173.8 -83.9 133.0 8.2 -5.1 11.8 29 27 A I E -A 18 0A 5 117,-1.8 117,-0.5 -2,-0.4 2,-0.4 -0.824 31.0-140.8-133.5 163.7 6.1 -4.9 14.9 30 28 A L E +A 17 0A 4 -13,-2.3 -13,-2.8 -2,-0.3 2,-0.3 -0.994 35.4 157.1-124.9 136.9 3.6 -2.6 16.6 31 29 A T E -AD 16 144A 0 113,-1.5 113,-3.0 -2,-0.4 2,-0.6 -0.997 39.6-130.7-156.2 156.1 3.7 -2.2 20.4 32 30 A L E - D 0 143A 0 -17,-1.4 -18,-3.5 -2,-0.3 2,-0.3 -0.941 25.8-156.6-114.6 107.1 2.9 -0.1 23.4 33 31 A Y E -AD 13 142A 1 109,-2.5 109,-1.8 -2,-0.6 2,-0.4 -0.629 8.2-171.0 -75.4 136.4 5.8 0.4 25.8 34 32 A Q E -AD 12 141A 19 -22,-2.2 -22,-2.2 -2,-0.3 107,-0.2 -0.981 18.5-135.6-130.7 122.4 5.1 1.3 29.4 35 33 A E E -A 11 0A 52 105,-3.3 -24,-0.3 -2,-0.4 101,-0.0 -0.516 24.8-156.2 -68.6 137.9 7.8 2.4 31.9 36 34 A I E -A 10 0A 0 -26,-2.4 2,-2.8 2,-0.2 -26,-0.8 -0.936 26.2-115.2-122.8 145.2 7.4 0.7 35.2 37 35 A P E S+ 0 0 50 0, 0.0 2,-0.4 0, 0.0 232,-0.1 -0.325 80.1 113.2 -73.5 62.4 8.6 1.7 38.7 38 36 A F E - 0 0 17 -2,-2.8 -28,-1.9 -28,-0.2 2,-0.3 -0.988 50.7-168.1-141.6 117.4 10.9 -1.3 38.9 39 37 A Y E -A 9 0A 77 -2,-0.4 2,-0.4 -30,-0.2 49,-0.1 -0.857 34.2-149.5-127.3 143.6 14.6 -0.6 38.9 40 38 A D E -A 8 0A 0 -32,-2.5 -32,-2.7 -2,-0.3 2,-0.6 -0.846 34.4-135.9 -85.3 140.7 18.1 -1.7 38.6 41 39 A E E -AE 7 86A 37 45,-1.3 45,-2.7 -2,-0.4 2,-0.5 -0.922 19.7-161.7-102.9 127.6 20.4 0.5 40.7 42 40 A I E -AE 6 85A 0 -36,-2.4 -36,-2.5 -2,-0.6 2,-0.5 -0.925 5.8-156.2-114.2 125.2 23.6 1.5 38.9 43 41 A Y E -AE 5 84A 65 41,-3.2 41,-2.6 -2,-0.5 2,-0.5 -0.885 9.2-166.0-104.3 123.1 26.6 2.8 40.6 44 42 A I E +AE 4 83A 3 -40,-2.8 -40,-2.5 -2,-0.5 2,-0.3 -0.955 12.3 170.7-116.4 128.2 29.0 5.0 38.6 45 43 A R E - E 0 82A 112 37,-1.5 37,-4.1 -2,-0.5 2,-0.3 -0.946 39.2-102.9-136.0 146.9 32.5 5.8 39.8 46 44 A E E S+ E 0 81A 102 -45,-1.1 2,-0.3 -2,-0.3 35,-0.3 -0.592 75.6 83.7 -74.0 130.8 35.6 7.4 38.2 47 45 A G S S- 0 0 24 33,-1.7 2,-0.2 -2,-0.3 3,-0.1 -0.982 80.3 -18.1 164.3-169.5 38.1 4.7 37.3 48 46 A V S S- 0 0 99 -2,-0.3 32,-0.1 32,-0.2 31,-0.0 -0.425 82.8 -88.8 -66.5 131.6 39.2 2.1 34.7 49 47 A L + 0 0 25 30,-0.4 2,-0.3 -2,-0.2 33,-0.2 -0.133 68.1 153.5 -45.8 123.5 36.4 1.2 32.3 50 48 A R E -f 82 0A 107 31,-1.4 33,-3.5 -3,-0.1 2,-0.4 -0.960 31.1-165.5-159.4 131.0 34.6 -1.7 33.9 51 49 A V E +f 83 0A 2 -2,-0.3 2,-0.3 31,-0.2 33,-0.2 -0.909 23.2 166.5-128.6 106.6 31.0 -3.0 33.7 52 50 A E E -f 84 0A 68 31,-3.0 33,-3.1 -2,-0.4 2,-0.3 -0.822 14.6-167.1-115.8 153.9 30.1 -5.4 36.5 53 51 A T E > -f 85 0A 16 -2,-0.3 3,-0.6 4,-0.3 33,-0.2 -0.881 33.1-119.7-130.7 166.9 26.8 -6.9 37.8 54 52 A N T 3 S+ 0 0 91 31,-1.3 32,-0.1 -2,-0.3 30,-0.0 0.319 109.7 55.4 -83.9 5.3 25.7 -8.8 40.9 55 53 A I T 3 S- 0 0 80 2,-0.1 -1,-0.2 0, 0.0 31,-0.0 0.230 113.4-103.7-128.5 11.2 24.6 -11.8 38.7 56 54 A G < + 0 0 65 -3,-0.6 -2,-0.1 1,-0.2 -4,-0.0 0.826 51.9 165.2 76.1 39.0 27.7 -12.6 36.6 57 55 A I - 0 0 52 1,-0.1 -4,-0.3 2,-0.0 -1,-0.2 -0.748 45.5-110.4 -79.7 127.9 27.2 -11.3 33.1 58 56 A P >> - 0 0 63 0, 0.0 3,-1.4 0, 0.0 4,-1.2 -0.380 20.3-126.2 -58.4 137.7 30.6 -11.2 31.3 59 57 A Q T 34 S+ 0 0 59 1,-0.3 3,-0.5 2,-0.2 6,-0.2 0.857 110.2 53.7 -52.6 -42.9 31.9 -7.7 30.7 60 58 A E T 34 S+ 0 0 120 1,-0.2 -1,-0.3 5,-0.1 -3,-0.0 0.689 111.0 47.4 -68.7 -19.3 32.4 -8.3 27.0 61 59 A E T <4 S+ 0 0 135 -3,-1.4 2,-0.3 4,-0.0 -1,-0.2 0.649 85.8 107.0 -93.9 -19.6 28.7 -9.4 26.7 62 60 A N X - 0 0 8 -4,-1.2 4,-2.4 -3,-0.5 3,-0.4 -0.458 65.8-143.1 -69.9 126.1 27.2 -6.5 28.7 63 61 A L H > S+ 0 0 49 -2,-0.3 4,-2.4 1,-0.2 -1,-0.1 0.794 101.4 57.6 -57.9 -32.7 25.3 -4.0 26.5 64 62 A V H > S+ 0 0 0 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.907 108.4 45.4 -63.7 -44.3 26.6 -1.2 28.7 65 63 A Y H > S+ 0 0 24 -3,-0.4 4,-1.9 -6,-0.2 -2,-0.2 0.929 113.0 50.1 -65.4 -46.5 30.2 -2.2 28.0 66 64 A K H X S+ 0 0 110 -4,-2.4 4,-1.4 1,-0.2 -2,-0.2 0.909 113.3 48.2 -52.7 -45.6 29.5 -2.6 24.3 67 65 A G H X S+ 0 0 0 -4,-2.4 4,-1.0 1,-0.2 -2,-0.2 0.832 110.1 49.4 -67.3 -36.5 27.8 0.9 24.3 68 66 A L H X S+ 0 0 0 -4,-2.0 4,-1.5 2,-0.2 11,-0.3 0.771 109.1 52.1 -77.3 -27.7 30.7 2.6 26.2 69 67 A R H X S+ 0 0 117 -4,-1.9 4,-1.9 2,-0.2 -1,-0.2 0.830 110.2 49.1 -72.4 -35.3 33.3 1.2 23.8 70 68 A E H X S+ 0 0 47 -4,-1.4 4,-2.8 -5,-0.2 5,-0.3 0.751 105.1 59.6 -73.0 -26.2 31.3 2.5 20.9 71 69 A F H X S+ 0 0 0 -4,-1.0 4,-2.2 2,-0.2 5,-0.4 0.938 108.4 43.7 -63.5 -49.2 31.1 5.9 22.7 72 70 A E H X S+ 0 0 19 -4,-1.5 4,-2.6 3,-0.2 -2,-0.2 0.915 116.1 49.3 -57.6 -46.9 34.9 6.0 22.6 73 71 A R H < S+ 0 0 184 -4,-1.9 -2,-0.2 1,-0.2 -1,-0.2 0.926 117.0 37.8 -61.8 -51.3 34.9 4.9 19.0 74 72 A I H < S+ 0 0 90 -4,-2.8 -1,-0.2 1,-0.1 -2,-0.2 0.840 130.4 29.0 -72.6 -34.6 32.3 7.3 17.6 75 73 A T H < S- 0 0 46 -4,-2.2 -3,-0.2 -5,-0.3 -2,-0.2 0.728 93.3-130.5-105.0 -25.9 33.4 10.3 19.7 76 74 A G < + 0 0 56 -4,-2.6 -4,-0.1 -5,-0.4 2,-0.1 0.049 65.7 120.1 101.3 -25.9 37.2 9.9 20.3 77 75 A I - 0 0 66 -6,-0.3 2,-0.6 1,-0.1 -1,-0.3 -0.438 63.2-127.2 -72.5 144.4 37.1 10.4 24.1 78 76 A E - 0 0 130 -2,-0.1 2,-0.5 -3,-0.1 -9,-0.1 -0.866 23.2-132.9 -99.9 116.4 38.4 7.6 26.4 79 77 A I - 0 0 2 -2,-0.6 2,-0.7 -11,-0.3 -30,-0.4 -0.519 18.9-171.2 -77.8 116.5 35.8 6.8 29.1 80 78 A N + 0 0 102 -2,-0.5 -33,-1.7 -32,-0.1 2,-0.4 -0.590 38.4 127.0-104.8 70.5 37.2 6.4 32.6 81 79 A Y E -E 46 0A 27 -2,-0.7 -31,-1.4 -35,-0.3 2,-0.7 -0.988 48.9-148.0-133.0 135.6 34.2 5.0 34.5 82 80 A S E -Ef 45 50A 7 -37,-4.1 -37,-1.5 -2,-0.4 2,-0.5 -0.892 24.1-162.7-101.4 108.2 33.7 2.0 36.8 83 81 A I E -Ef 44 51A 0 -33,-3.5 -31,-3.0 -2,-0.7 2,-0.5 -0.809 13.8-179.7-100.2 121.6 30.1 0.7 36.5 84 82 A F E -Ef 43 52A 70 -41,-2.6 -41,-3.2 -2,-0.5 2,-0.5 -0.979 9.3-164.8-117.3 124.7 28.4 -1.6 38.9 85 83 A I E -Ef 42 53A 0 -33,-3.1 -31,-1.3 -2,-0.5 2,-0.8 -0.927 11.3-154.4-110.1 120.0 24.8 -2.7 38.2 86 84 A Q E -E 41 0A 70 -45,-2.7 -45,-1.3 -2,-0.5 2,-1.0 -0.857 24.3-143.6 -88.5 111.0 22.7 -4.3 40.8 87 85 A K + 0 0 17 -2,-0.8 -47,-0.1 1,-0.2 -34,-0.0 -0.673 43.8 149.0 -92.6 97.0 20.2 -6.4 38.7 88 86 A N + 0 0 53 -2,-1.0 -1,-0.2 -49,-0.1 -48,-0.2 0.751 66.3 73.1 -86.9 -31.7 16.7 -6.5 40.1 89 87 A I S S- 0 0 0 -3,-0.2 -1,-0.1 8,-0.1 -49,-0.0 -0.779 89.0-135.6 -86.8 109.4 15.3 -6.7 36.5 90 88 A P > - 0 0 38 0, 0.0 3,-1.1 0, 0.0 5,-0.3 -0.379 14.5-114.6 -71.1 140.1 16.1 -10.3 35.4 91 89 A P T 3 S+ 0 0 71 0, 0.0 80,-0.0 0, 0.0 -4,-0.0 -0.499 102.8 30.1 -67.6 145.1 17.5 -11.0 31.9 92 90 A G T 3 S+ 0 0 22 78,-0.2 79,-2.1 -2,-0.1 77,-0.1 0.537 88.9 111.1 81.2 10.4 15.1 -13.0 29.7 93 91 A A S < S- 0 0 2 -3,-1.1 150,-1.7 149,-0.2 149,-0.5 0.469 86.1-119.4 -94.8 -5.9 12.1 -11.5 31.6 94 92 A G S S+ 0 0 14 77,-0.2 -81,-0.3 148,-0.2 147,-0.1 0.743 84.2 111.5 73.3 26.9 10.8 -9.4 28.7 95 93 A L S S- 0 0 2 -5,-0.3 -84,-1.8 -83,-0.1 147,-0.1 0.215 83.9-117.8-119.0 10.0 11.3 -6.2 30.7 96 94 A G > + 0 0 14 -86,-0.2 4,-2.1 3,-0.1 5,-0.2 0.741 57.1 153.0 62.1 28.9 14.1 -4.5 28.7 97 95 A G H > S+ 0 0 7 -7,-0.3 4,-2.6 1,-0.2 5,-0.1 0.909 71.6 43.7 -55.8 -51.3 16.6 -4.5 31.6 98 96 A G H > S+ 0 0 30 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.849 114.7 50.3 -62.7 -36.5 19.8 -4.6 29.6 99 97 A S H > S+ 0 0 10 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.794 110.7 49.8 -73.3 -32.6 18.4 -2.0 27.2 100 98 A S H X S+ 0 0 0 -4,-2.1 4,-3.1 2,-0.2 5,-0.3 0.954 110.5 49.6 -67.7 -52.8 17.5 0.3 30.1 101 99 A N H X S+ 0 0 4 -4,-2.6 4,-2.3 2,-0.2 5,-0.3 0.924 112.9 48.2 -45.2 -55.5 20.9 -0.1 31.6 102 100 A L H X S+ 0 0 0 -4,-2.5 4,-2.4 2,-0.2 5,-0.3 0.951 115.3 43.6 -51.6 -58.6 22.5 0.7 28.2 103 101 A A H X S+ 0 0 0 -4,-2.4 4,-2.1 1,-0.2 5,-0.2 0.932 117.0 43.4 -56.3 -54.2 20.3 3.8 27.6 104 102 A V H X S+ 0 0 20 -4,-3.1 4,-1.6 2,-0.2 -1,-0.2 0.855 116.8 46.1 -67.1 -35.8 20.5 5.3 31.2 105 103 A V H X S+ 0 0 0 -4,-2.3 4,-2.9 -5,-0.3 5,-0.3 0.943 114.4 46.2 -71.5 -47.8 24.3 4.7 31.6 106 104 A L H X S+ 0 0 0 -4,-2.4 4,-1.7 -5,-0.3 -2,-0.2 0.846 113.2 50.1 -66.4 -34.0 25.3 6.1 28.1 107 105 A K H X S+ 0 0 91 -4,-2.1 4,-1.8 -5,-0.3 -1,-0.2 0.889 114.4 45.4 -64.8 -41.7 23.0 9.1 28.6 108 106 A K H X S+ 0 0 68 -4,-1.6 4,-2.6 2,-0.2 -2,-0.2 0.952 112.6 47.7 -68.0 -52.9 24.6 9.8 32.0 109 107 A V H X S+ 0 0 0 -4,-2.9 4,-0.9 1,-0.2 -1,-0.2 0.886 110.5 55.6 -54.3 -42.0 28.2 9.3 30.9 110 108 A N H ><>S+ 0 0 7 -4,-1.7 5,-2.0 -5,-0.3 3,-0.6 0.908 109.9 44.0 -56.4 -48.0 27.4 11.6 28.0 111 109 A E H ><5S+ 0 0 98 -4,-1.8 3,-1.8 1,-0.2 -2,-0.2 0.902 108.6 58.0 -64.2 -43.1 26.2 14.4 30.3 112 110 A L H 3<5S+ 0 0 77 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.685 104.7 53.3 -61.1 -20.9 29.2 13.9 32.6 113 111 A L T <<5S- 0 0 53 -4,-0.9 -1,-0.3 -3,-0.6 -2,-0.2 0.030 129.6 -91.8-103.6 23.0 31.5 14.5 29.7 114 112 A G T < 5S- 0 0 70 -3,-1.8 -3,-0.2 1,-0.2 -2,-0.1 0.758 70.0 -73.8 71.7 27.0 30.0 17.9 28.7 115 113 A S < + 0 0 67 -5,-2.0 -1,-0.2 -6,-0.2 -4,-0.2 0.861 63.4 170.6 58.3 50.5 27.5 16.4 26.2 116 114 A P + 0 0 47 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.891 67.5 56.5 -52.9 -43.1 29.7 15.4 23.2 117 115 A L S S- 0 0 10 -7,-0.1 2,-0.2 4,-0.0 -42,-0.0 -0.703 83.9-131.5 -94.6 144.8 26.8 13.6 21.6 118 116 A S > - 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