==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=22-JAN-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 13-DEC-10 3PYE . COMPND 2 MOLECULE: 4-DIPHOSPHOCYTIDYL-2-C-METHYL-D-ERYTHRITOL KINASE . SOURCE 2 ORGANISM_SCIENTIFIC: MYCOBACTERIUM TUBERCULOSIS; . AUTHOR S.SHAN,X.H.CHEN,T.LIU,H.C.ZHAO,Z.H.RAO,Z.Y.LOU . 301 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13870.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 206 68.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 9 3.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 59 19.6 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 . 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 . 16 5.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 23 7.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 84 27.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 1.3 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 1 0 1 1 0 1 0 2 1 1 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 0 PARALLEL BRIDGES PER LADDER . 1 1 1 2 1 0 2 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 1 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 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 M 0 0 235 0, 0.0 47,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -66.7 6.3 16.1 18.8 2 2 A P - 0 0 92 0, 0.0 2,-0.9 0, 0.0 47,-0.0 0.363 360.0-179.0 -36.9 -45.4 7.6 12.4 19.5 3 3 A T + 0 0 120 1,-0.2 0, 0.0 45,-0.1 0, 0.0 -0.114 32.0 114.6 88.2 -37.1 8.5 11.3 15.9 4 4 A G - 0 0 40 -2,-0.9 44,-0.7 116,-0.1 2,-0.3 -0.039 49.4-146.0 -63.4 176.0 9.7 7.6 16.0 5 5 A S E -A 47 0A 40 42,-0.2 2,-0.4 2,-0.0 42,-0.2 -0.966 4.3-154.1-145.0 145.3 7.8 4.7 14.4 6 6 A V E -A 46 0A 12 40,-2.2 40,-2.5 -2,-0.3 2,-0.5 -0.998 6.6-159.6-126.4 133.7 7.5 1.0 15.5 7 7 A T E -A 45 0A 24 -2,-0.4 293,-3.1 38,-0.2 294,-1.3 -0.962 4.5-166.4-116.0 136.0 6.7 -1.8 13.1 8 8 A V E -AB 44 299A 0 36,-2.8 36,-2.8 -2,-0.5 2,-0.4 -0.972 9.2-150.0-118.7 128.6 5.3 -5.1 14.2 9 9 A R E +AB 43 298A 75 289,-2.3 289,-2.1 -2,-0.4 34,-0.2 -0.814 21.1 176.8 -96.7 136.8 5.2 -8.3 12.1 10 10 A V E -A 42 0A 0 32,-2.3 32,-2.9 -2,-0.4 2,-0.2 -0.997 17.7-133.5-146.0 133.8 2.3 -10.7 12.8 11 11 A P E -A 41 0A 5 0, 0.0 30,-0.2 0, 0.0 2,-0.1 -0.513 10.1-123.2 -92.4 158.9 1.3 -13.9 11.1 12 12 A G E -A 38 0A 1 28,-2.9 26,-2.0 26,-0.6 2,-0.3 -0.440 35.6-136.2 -79.6 172.2 -1.9 -15.5 9.7 13 13 A K E -A 37 0A 19 90,-1.7 2,-0.3 24,-0.2 24,-0.2 -0.905 14.8-156.1-133.5 158.7 -2.9 -18.9 11.1 14 14 A V E -A 36 0A 0 22,-2.8 22,-2.4 -2,-0.3 2,-0.7 -0.922 24.3-124.1-122.3 156.4 -4.1 -22.2 10.0 15 15 A N E -A 35 0A 10 -2,-0.3 20,-0.2 20,-0.2 241,-0.2 -0.895 22.2-178.6 -99.4 116.5 -6.0 -24.7 12.1 16 16 A L E S+ 0 0 2 18,-2.4 207,-2.6 -2,-0.7 2,-0.3 0.779 78.6 17.8 -79.3 -26.3 -4.2 -28.1 12.1 17 17 A Y E +Ac 34 223A 10 17,-0.9 17,-2.4 205,-0.2 2,-0.3 -0.993 64.6 174.8-147.8 132.0 -7.0 -29.6 14.3 18 18 A L E -Ac 33 224A 2 205,-1.0 207,-2.7 -2,-0.3 2,-0.4 -0.869 3.6-178.3-145.7 113.2 -10.5 -28.4 15.0 19 19 A A E -A 32 0A 15 13,-2.6 13,-2.3 -2,-0.3 2,-0.5 -0.878 14.4-157.3-106.5 141.0 -13.1 -30.4 17.0 20 20 A V E -A 31 0A 1 -2,-0.4 11,-0.2 11,-0.2 3,-0.1 -0.973 9.7-138.0-126.3 118.8 -16.5 -28.7 17.3 21 21 A G - 0 0 28 9,-2.7 3,-0.1 -2,-0.5 10,-0.0 -0.216 37.9 -78.1 -71.5 162.8 -18.8 -29.6 20.2 22 22 A D - 0 0 100 1,-0.1 8,-0.4 7,-0.1 -1,-0.2 -0.194 64.5 -80.8 -58.7 146.6 -22.5 -30.1 19.8 23 23 A R - 0 0 132 6,-0.1 6,-0.2 -3,-0.1 -1,-0.1 -0.287 51.7-166.1 -51.5 126.0 -24.6 -26.9 19.5 24 24 A R > - 0 0 114 4,-3.1 3,-1.4 -3,-0.1 2,-0.4 -0.302 29.3 -71.6 -85.4-176.9 -25.4 -25.3 22.9 25 25 A E T 3 S+ 0 0 132 1,-0.3 4,-0.0 2,-0.2 0, 0.0 -0.993 124.4 42.2-111.7 139.9 -27.9 -22.7 23.7 26 26 A D T 3 S- 0 0 135 -2,-0.4 -1,-0.3 0, 0.0 -2,-0.0 -0.433 125.1 -95.9 -96.4 78.4 -27.7 -20.0 23.0 27 27 A G S < S+ 0 0 24 -3,-1.4 -2,-0.2 1,-0.2 -4,-0.0 0.213 79.3 129.2 86.5 -11.3 -26.5 -21.6 19.7 28 28 A Y - 0 0 165 -5,-0.1 -4,-3.1 1,-0.0 2,-0.4 -0.184 47.7-138.2 -72.6 163.3 -22.8 -21.5 20.1 29 29 A H - 0 0 19 -6,-0.2 2,-0.4 125,-0.0 -6,-0.1 -0.997 15.5-127.0-126.3 134.4 -20.3 -24.4 19.7 30 30 A E - 0 0 73 -8,-0.4 -9,-2.7 -2,-0.4 2,-0.5 -0.583 31.7-150.5 -81.5 129.0 -17.3 -25.0 22.0 31 31 A L E -A 20 0A 46 -2,-0.4 2,-0.6 123,-0.2 -11,-0.2 -0.878 18.3-167.0-110.9 131.9 -14.1 -25.3 19.9 32 32 A T E +A 19 0A 38 -13,-2.3 -13,-2.6 -2,-0.5 2,-0.4 -0.958 27.6 175.4-108.3 122.6 -11.0 -27.2 20.5 33 33 A T E -AD 18 152A 8 119,-2.4 119,-3.2 -2,-0.6 2,-0.7 -0.954 39.5-149.4-135.3 141.8 -8.3 -26.1 18.2 34 34 A V E -AD 17 151A 0 -17,-2.4 -18,-2.4 -2,-0.4 -17,-0.9 -0.937 30.9-161.0 -98.8 108.8 -4.7 -26.5 17.3 35 35 A F E -AD 15 150A 22 115,-2.7 115,-2.1 -2,-0.7 2,-0.4 -0.720 7.2-170.6 -85.0 141.8 -3.7 -23.1 16.0 36 36 A H E -AD 14 149A 0 -22,-2.4 -22,-2.8 -2,-0.3 2,-0.4 -0.985 13.2-145.6-142.3 119.1 -0.5 -22.8 13.8 37 37 A A E -A 13 0A 0 111,-2.6 257,-0.9 -2,-0.4 2,-0.3 -0.704 21.9-167.5 -86.2 133.3 1.0 -19.5 12.8 38 38 A V E -A 12 0A 0 -26,-2.0 2,-1.3 -2,-0.4 -26,-0.6 -0.836 35.9 -93.2-125.3 162.5 2.6 -19.6 9.3 39 39 A S E S+ 0 0 39 252,-2.3 2,-0.6 -2,-0.3 253,-0.1 0.053 88.5 105.5 -72.1 30.7 4.9 -17.2 7.4 40 40 A L E + 0 0 4 -2,-1.3 -28,-2.9 -28,-0.2 2,-0.3 -0.973 59.5 170.6-100.9 119.7 2.1 -15.2 5.5 41 41 A V E -A 11 0A 14 -2,-0.6 55,-0.7 -30,-0.2 2,-0.3 -0.805 38.2-140.4-134.8 161.2 2.3 -12.0 7.6 42 42 A D E -AE 10 95A 0 -32,-2.9 -32,-2.3 -2,-0.3 2,-0.5 -0.895 17.7-145.7-113.7 153.9 1.2 -8.4 7.9 43 43 A E E -AE 9 94A 55 51,-2.3 51,-3.3 -2,-0.3 2,-0.5 -0.987 13.7-163.8-120.4 125.3 3.5 -5.6 9.0 44 44 A V E -AE 8 93A 0 -36,-2.8 -36,-2.8 -2,-0.5 2,-0.5 -0.917 2.3-165.9-118.2 122.4 1.9 -2.8 11.0 45 45 A T E -AE 7 92A 22 47,-2.9 47,-2.8 -2,-0.5 2,-0.4 -0.936 6.4-173.8-114.0 126.8 3.7 0.5 11.5 46 46 A V E +AE 6 91A 0 -40,-2.5 -40,-2.2 -2,-0.5 2,-0.3 -0.961 6.1 172.0-127.8 137.0 2.5 2.9 14.2 47 47 A R E -AE 5 90A 127 43,-1.6 43,-2.2 -2,-0.4 -42,-0.2 -0.941 42.6 -91.0-136.8 157.3 3.7 6.5 14.8 48 48 A N E + E 0 89A 46 -44,-0.7 2,-0.3 -2,-0.3 41,-0.3 -0.481 55.6 166.1 -63.3 145.4 2.5 9.3 17.1 49 49 A A - 0 0 35 39,-2.0 3,-0.1 -2,-0.1 41,-0.0 -0.920 49.9-103.2-151.9 171.6 -0.1 11.6 15.2 50 50 A D S S+ 0 0 154 -2,-0.3 2,-0.3 1,-0.1 39,-0.1 0.805 103.1 6.8 -70.4 -34.0 -2.6 14.4 15.9 51 51 A V S S- 0 0 105 37,-0.1 2,-0.3 -3,-0.0 -1,-0.1 -0.938 92.8 -83.1-143.8 163.3 -5.6 12.0 15.6 52 52 A L + 0 0 19 -2,-0.3 2,-0.3 36,-0.1 38,-0.2 -0.546 54.1 166.5 -69.6 126.6 -6.2 8.3 15.1 53 53 A S E -f 90 0A 56 36,-1.7 38,-2.2 -2,-0.3 2,-0.4 -0.987 19.0-160.6-140.5 160.5 -5.9 7.2 11.5 54 54 A L E +f 91 0A 15 12,-0.4 2,-0.3 -2,-0.3 38,-0.2 -0.999 10.7 172.8-142.3 131.0 -5.6 3.9 9.7 55 55 A E E -f 92 0A 115 36,-2.2 38,-2.5 -2,-0.4 2,-0.4 -0.989 10.5-162.2-137.4 145.1 -4.5 3.0 6.2 56 56 A L E -f 93 0A 17 -2,-0.3 2,-0.3 36,-0.2 38,-0.2 -0.978 5.4-175.0-128.0 141.8 -3.9 -0.4 4.5 57 57 A V E +f 94 0A 50 36,-2.9 38,-3.3 -2,-0.4 2,-0.2 -0.983 37.9 69.6-130.1 148.6 -1.9 -1.5 1.4 58 58 A G S > S- 0 0 44 -2,-0.3 3,-2.6 36,-0.2 4,-0.5 -0.659 89.5 -31.0 131.9 170.6 -1.5 -4.8 -0.3 59 59 A E T 3 S+ 0 0 152 36,-0.4 40,-0.3 1,-0.3 -2,-0.1 -0.335 132.4 4.7 -58.1 136.8 -3.6 -7.1 -2.4 60 60 A G T > S+ 0 0 11 38,-0.1 3,-2.0 1,-0.1 4,-0.3 0.310 93.3 119.8 72.5 -5.5 -7.2 -6.9 -1.3 61 61 A A G X + 0 0 5 -3,-2.6 3,-2.0 1,-0.3 -2,-0.1 0.854 64.8 66.6 -63.6 -33.5 -6.5 -4.1 1.2 62 62 A D G 3 S+ 0 0 153 -4,-0.5 -1,-0.3 1,-0.3 -3,-0.1 0.644 90.8 64.7 -60.2 -12.4 -8.9 -1.8 -0.7 63 63 A Q G < S+ 0 0 125 -3,-2.0 -1,-0.3 2,-0.1 -2,-0.2 0.676 88.6 89.3 -78.1 -15.1 -11.7 -4.0 0.4 64 64 A L S < S- 0 0 46 -3,-2.0 -8,-0.1 -4,-0.3 6,-0.1 -0.635 77.8-118.0-100.9 140.5 -11.2 -3.2 4.1 65 65 A P - 0 0 41 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 -0.349 11.8-155.5 -67.8 150.1 -12.7 -0.3 6.2 66 66 A T + 0 0 75 -2,-0.1 -12,-0.4 6,-0.0 2,-0.2 0.000 69.0 67.4-117.9 25.8 -10.4 2.2 7.7 67 67 A D S > S- 0 0 59 -14,-0.1 3,-2.5 0, 0.0 6,-0.3 -0.461 108.7 -48.6-122.0-156.8 -12.6 3.3 10.5 68 68 A E T 3 S+ 0 0 128 1,-0.3 6,-0.2 -2,-0.2 0, 0.0 0.649 123.9 66.8 -50.1 -27.6 -14.1 1.8 13.8 69 69 A R T 3 S+ 0 0 183 4,-0.1 2,-0.4 5,-0.0 -1,-0.3 0.710 81.6 90.4 -81.0 -8.1 -15.2 -1.3 12.1 70 70 A N S X> S- 0 0 13 -3,-2.5 4,-2.1 1,-0.1 3,-0.5 -0.689 77.0-139.9 -78.0 127.5 -11.6 -2.4 11.5 71 71 A L H 3> S+ 0 0 34 -2,-0.4 4,-2.1 1,-0.2 -1,-0.1 0.768 102.2 59.7 -58.0 -32.6 -10.3 -4.5 14.4 72 72 A A H 3> S+ 0 0 0 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.873 105.8 48.9 -64.3 -36.8 -6.9 -2.7 14.3 73 73 A W H <> S+ 0 0 48 -3,-0.5 4,-1.9 -6,-0.3 -2,-0.2 0.936 110.5 49.7 -61.7 -49.7 -8.8 0.6 14.9 74 74 A Q H X S+ 0 0 60 -4,-2.1 4,-2.5 -7,-0.2 -2,-0.2 0.896 107.9 55.8 -56.9 -38.8 -10.7 -0.9 17.8 75 75 A A H X S+ 0 0 0 -4,-2.1 4,-2.8 2,-0.2 5,-0.2 0.894 105.4 50.2 -60.9 -45.4 -7.3 -2.3 19.2 76 76 A A H X S+ 0 0 0 -4,-1.8 4,-2.7 2,-0.2 5,-0.3 0.922 112.5 48.1 -57.5 -43.5 -5.8 1.2 19.3 77 77 A E H X S+ 0 0 64 -4,-1.9 4,-2.5 1,-0.2 -2,-0.2 0.920 114.9 44.5 -63.9 -43.9 -8.8 2.6 21.1 78 78 A L H X S+ 0 0 26 -4,-2.5 4,-2.2 2,-0.2 -1,-0.2 0.885 113.8 49.0 -71.4 -38.6 -8.8 -0.2 23.7 79 79 A M H X S+ 0 0 0 -4,-2.8 4,-1.2 2,-0.2 -2,-0.2 0.956 114.3 46.0 -66.5 -50.3 -5.0 -0.1 24.2 80 80 A A H ><>S+ 0 0 0 -4,-2.7 5,-3.2 -5,-0.2 3,-0.7 0.945 113.2 49.8 -52.5 -48.1 -5.1 3.8 24.7 81 81 A E H ><5S+ 0 0 117 -4,-2.5 3,-1.8 1,-0.3 -1,-0.2 0.917 104.4 60.3 -62.2 -37.8 -8.2 3.5 27.0 82 82 A H H 3<5S+ 0 0 66 -4,-2.2 -1,-0.3 1,-0.3 -2,-0.2 0.818 112.6 36.8 -60.6 -33.1 -6.3 0.8 29.0 83 83 A V T <<5S- 0 0 47 -4,-1.2 -1,-0.3 -3,-0.7 -2,-0.2 0.178 118.4-108.0-108.1 20.8 -3.5 3.3 29.8 84 84 A G T < 5S+ 0 0 77 -3,-1.8 2,-0.3 1,-0.2 -3,-0.2 0.725 78.5 128.1 66.7 24.9 -5.9 6.3 30.2 85 85 A R < - 0 0 108 -5,-3.2 -1,-0.2 -6,-0.2 -2,-0.1 -0.733 66.6-111.5-112.1 157.3 -4.6 7.8 27.0 86 86 A A - 0 0 50 -2,-0.3 2,-2.8 -3,-0.1 -9,-0.0 -0.698 37.4-118.1 -77.1 137.7 -6.1 9.2 23.8 87 87 A P + 0 0 31 0, 0.0 2,-2.5 0, 0.0 -10,-0.1 -0.297 48.3 166.8 -77.1 65.9 -5.2 6.8 20.8 88 88 A D + 0 0 72 -2,-2.8 -39,-2.0 -36,-0.1 2,-0.3 -0.412 32.5 116.6 -85.0 71.6 -3.2 9.6 19.1 89 89 A V E -E 48 0A 0 -2,-2.5 -36,-1.7 -41,-0.3 2,-0.4 -0.956 58.1-140.1-140.2 147.5 -1.6 7.3 16.6 90 90 A S E -Ef 47 53A 29 -43,-2.2 -43,-1.6 -2,-0.3 2,-0.4 -0.930 21.6-156.7-106.6 142.1 -1.5 6.7 12.8 91 91 A I E -Ef 46 54A 4 -38,-2.2 -36,-2.2 -2,-0.4 2,-0.5 -0.965 10.9-174.9-124.3 126.8 -1.5 3.0 11.7 92 92 A M E -Ef 45 55A 62 -47,-2.8 -47,-2.9 -2,-0.4 2,-0.6 -0.992 9.9-161.8-124.3 123.5 -0.2 1.8 8.3 93 93 A I E -Ef 44 56A 0 -38,-2.5 -36,-2.9 -2,-0.5 2,-0.9 -0.935 12.5-159.2-112.1 116.8 -0.7 -1.8 7.5 94 94 A D E -Ef 43 57A 74 -51,-3.3 -51,-2.3 -2,-0.6 2,-0.6 -0.854 27.9-154.6 -87.2 105.9 1.4 -3.6 4.8 95 95 A K E +E 42 0A 12 -38,-3.3 -36,-0.4 -2,-0.9 -53,-0.2 -0.737 40.2 146.6 -93.4 117.0 -1.1 -6.5 4.2 96 96 A S + 0 0 65 -55,-0.7 -54,-0.2 -2,-0.6 -1,-0.1 0.242 47.2 100.7-122.3 3.5 0.2 -9.8 2.8 97 97 A I S S- 0 0 2 -57,-0.1 4,-0.1 8,-0.1 3,-0.1 -0.837 92.9-101.5 -82.2 124.7 -2.2 -12.1 4.7 98 98 A P > - 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0 0 141 -2,-0.2 3,-0.1 -3,-0.0 -4,-0.1 -0.644 41.0-167.8-131.4 85.3 -22.9 -39.3 11.4 197 197 A P - 0 0 18 0, 0.0 2,-0.3 0, 0.0 28,-0.0 -0.060 45.0 -63.2 -63.7 169.9 -20.1 -37.1 10.0 198 198 A P - 0 0 97 0, 0.0 2,-0.5 0, 0.0 30,-0.1 -0.438 48.1-160.3 -47.9 110.7 -16.3 -37.7 11.0 199 199 A R - 0 0 117 -2,-0.3 2,-0.1 -3,-0.1 -180,-0.1 -0.901 19.9-131.2 -94.9 121.3 -15.7 -37.1 14.8 200 200 A L - 0 0 50 -2,-0.5 23,-0.0 -182,-0.1 -183,-0.0 -0.378 13.2-117.6 -75.1 148.4 -12.0 -36.5 15.5 201 201 A G - 0 0 58 1,-0.1 -1,-0.1 -2,-0.1 0, 0.0 -0.259 52.8 -75.3 -59.5 162.1 -10.0 -38.3 18.1 202 202 A E - 0 0 171 1,-0.1 4,-0.3 3,-0.0 -1,-0.1 -0.208 51.0-106.4 -56.1 156.3 -8.6 -36.0 20.9 203 203 A P S > S+ 0 0 19 0, 0.0 4,-2.1 0, 0.0 3,-0.2 0.415 88.9 103.4 -78.3 5.3 -5.5 -33.9 19.8 204 204 A G H > S+ 0 0 44 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.904 81.5 50.8 -56.7 -44.7 -2.7 -35.7 21.6 205 205 A P H > S+ 0 0 75 0, 0.0 4,-2.4 0, 0.0 -1,-0.2 0.902 108.7 52.7 -61.7 -37.9 -1.4 -37.5 18.5 206 206 A V H > S+ 0 0 4 -4,-0.3 4,-2.5 -3,-0.2 -2,-0.2 0.949 110.7 47.5 -56.6 -50.6 -1.3 -34.2 16.5 207 207 A L H X S+ 0 0 45 -4,-2.1 4,-2.6 1,-0.2 -1,-0.2 0.861 110.2 52.4 -58.7 -39.3 0.8 -32.6 19.3 208 208 A A H X S+ 0 0 50 -4,-2.3 4,-1.6 -5,-0.2 -1,-0.2 0.896 110.0 47.6 -69.2 -35.6 3.1 -35.5 19.4 209 209 A A H X>S+ 0 0 0 -4,-2.4 5,-1.8 2,-0.2 4,-1.0 0.923 112.4 49.9 -69.5 -38.6 3.7 -35.3 15.6 210 210 A L H ><5S+ 0 0 0 -4,-2.5 3,-1.1 1,-0.2 -45,-0.8 0.946 110.8 50.0 -60.6 -47.9 4.3 -31.6 15.9 211 211 A A H 3<5S+ 0 0 54 -4,-2.6 -46,-0.4 1,-0.3 -1,-0.2 0.790 108.8 52.0 -57.7 -34.9 6.8 -32.2 18.7 212 212 A A H 3<5S- 0 0 39 -4,-1.6 -1,-0.3 -48,-0.1 -2,-0.2 0.622 102.8-133.6 -79.1 -11.5 8.6 -34.8 16.6 213 213 A G T <<5 + 0 0 5 -3,-1.1 -3,-0.2 -4,-1.0 -2,-0.1 0.787 58.6 144.2 66.0 27.7 8.9 -32.3 13.7 214 214 A D >< - 0 0 57 -5,-1.8 4,-2.5 1,-0.2 3,-0.4 -0.798 36.6-173.9-113.9 99.4 7.7 -35.2 11.5 215 215 A P H > S+ 0 0 26 0, 0.0 4,-2.5 0, 0.0 -1,-0.2 0.837 87.1 55.9 -64.3 -28.9 5.4 -34.3 8.5 216 216 A D H 4 S+ 0 0 101 1,-0.2 -2,-0.1 2,-0.2 -7,-0.0 0.880 112.2 44.4 -68.6 -33.1 4.7 -37.9 7.6 217 217 A Q H 4 S+ 0 0 81 -3,-0.4 4,-0.3 1,-0.1 -1,-0.2 0.894 117.3 44.5 -72.7 -38.8 3.5 -38.5 11.1 218 218 A L H >X S+ 0 0 0 -4,-2.5 3,-1.6 -9,-0.2 4,-0.9 0.882 96.3 76.5 -74.9 -38.3 1.5 -35.2 11.2 219 219 A A G >< S+ 0 0 6 -4,-2.5 3,-1.0 1,-0.3 -1,-0.2 0.864 95.7 43.0 -45.3 -51.8 -0.2 -35.5 7.8 220 220 A P G 34 S+ 0 0 103 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.644 110.9 57.8 -75.3 -9.6 -2.9 -38.1 8.4 221 221 A L G <4 S+ 0 0 61 -3,-1.6 -2,-0.2 -4,-0.3 -15,-0.1 0.578 75.6 112.9 -92.8 -14.7 -3.8 -36.5 11.8 222 222 A L << + 0 0 15 -3,-1.0 2,-0.3 -4,-0.9 -205,-0.2 -0.361 48.5 162.1 -51.8 133.3 -4.6 -33.1 10.3 223 223 A G E -c 17 0A 6 -207,-2.6 -205,-1.0 -208,-0.1 2,-0.3 -0.988 33.4-171.0-163.8 150.3 -8.3 -32.7 10.7 224 224 A N E > -c 18 0A 12 -2,-0.3 3,-1.7 -207,-0.2 4,-0.4 -0.891 13.8-158.0-148.3 111.7 -11.2 -30.3 10.8 225 225 A E T 3 S+ 0 0 14 -207,-2.7 4,-0.4 -2,-0.3 3,-0.2 0.713 96.9 59.3 -65.8 -17.1 -14.8 -31.2 11.9 226 226 A M T 3> S+ 0 0 9 -208,-0.2 4,-2.8 1,-0.2 -1,-0.3 0.624 84.8 84.7 -78.4 -14.6 -16.2 -28.2 9.9 227 227 A Q H <> S+ 0 0 48 -3,-1.7 4,-3.1 1,-0.2 5,-0.2 0.876 84.0 52.1 -58.7 -44.1 -14.7 -29.6 6.6 228 228 A A H > S+ 0 0 34 -4,-0.4 4,-1.1 -3,-0.2 -1,-0.2 0.900 113.6 46.7 -60.5 -39.8 -17.6 -32.0 5.7 229 229 A A H >> S+ 0 0 0 -4,-0.4 4,-1.9 2,-0.2 3,-0.5 0.954 112.9 47.0 -67.9 -48.7 -20.0 -29.1 6.1 230 230 A A H 3X S+ 0 0 0 -4,-2.8 4,-1.4 1,-0.2 3,-0.3 0.935 113.3 50.5 -54.5 -47.5 -17.8 -26.7 4.0 231 231 A V H 3< S+ 0 0 33 -4,-3.1 7,-0.2 1,-0.2 -1,-0.2 0.675 108.4 52.7 -64.7 -25.5 -17.5 -29.4 1.4 232 232 A S H << S+ 0 0 56 -4,-1.1 -1,-0.2 -3,-0.5 -2,-0.2 0.769 113.9 43.1 -77.8 -32.3 -21.3 -29.9 1.4 233 233 A L H < S+ 0 0 70 -4,-1.9 -2,-0.2 -3,-0.3 -3,-0.2 0.682 131.5 22.5 -85.3 -18.8 -21.8 -26.2 0.8 234 234 A D >< - 0 0 44 -4,-1.4 3,-2.2 -5,-0.2 4,-0.4 -0.633 66.5-175.2-150.1 81.4 -19.0 -26.0 -1.8 235 235 A P T >> S+ 0 0 87 0, 0.0 3,-0.8 0, 0.0 4,-0.7 0.672 77.6 74.3 -61.4 -17.3 -18.3 -29.4 -3.5 236 236 A A H 3> S+ 0 0 45 1,-0.2 4,-2.2 2,-0.2 3,-0.4 0.810 82.4 72.0 -61.4 -31.5 -15.3 -28.0 -5.5 237 237 A L H <> S+ 0 0 10 -3,-2.2 4,-2.5 1,-0.2 -1,-0.2 0.892 92.7 55.9 -53.7 -37.5 -13.4 -28.0 -2.2 238 238 A A H <> S+ 0 0 30 -3,-0.8 4,-1.7 -4,-0.4 -1,-0.2 0.892 108.9 44.6 -61.4 -39.6 -13.3 -31.8 -2.4 239 239 A R H X S+ 0 0 139 -4,-0.7 4,-2.9 -3,-0.4 -1,-0.2 0.890 111.8 53.3 -70.5 -39.7 -11.6 -31.8 -5.9 240 240 A A H X S+ 0 0 5 -4,-2.2 4,-2.2 2,-0.2 -2,-0.2 0.930 107.1 51.4 -58.8 -49.6 -9.2 -29.1 -4.8 241 241 A L H X S+ 0 0 18 -4,-2.5 4,-1.3 1,-0.2 -1,-0.2 0.880 112.6 47.7 -54.5 -40.9 -8.2 -31.2 -1.7 242 242 A R H X S+ 0 0 130 -4,-1.7 4,-2.9 -5,-0.2 -2,-0.2 0.936 108.3 52.8 -67.8 -45.2 -7.6 -34.1 -4.1 243 243 A A H X S+ 0 0 17 -4,-2.9 4,-2.8 1,-0.2 -2,-0.2 0.872 105.7 55.1 -56.2 -42.4 -5.6 -32.1 -6.6 244 244 A G H <>S+ 0 0 0 -4,-2.2 5,-2.3 2,-0.2 -1,-0.2 0.926 112.5 42.6 -59.1 -42.9 -3.2 -30.8 -3.9 245 245 A V H ><5S+ 0 0 64 -4,-1.3 3,-2.0 3,-0.2 -2,-0.2 0.940 112.4 52.3 -70.7 -44.6 -2.5 -34.3 -2.9 246 246 A E H 3<5S+ 0 0 153 -4,-2.9 -2,-0.2 1,-0.3 -1,-0.2 0.873 104.3 60.4 -54.3 -38.2 -2.2 -35.5 -6.6 247 247 A A T 3<5S- 0 0 9 -4,-2.8 -1,-0.3 -5,-0.2 -2,-0.2 0.554 135.0 -88.8 -68.4 -8.4 0.3 -32.6 -7.0 248 248 A G T < 5S+ 0 0 40 -3,-2.0 -3,-0.2 1,-0.3 -2,-0.2 0.448 79.6 139.9 119.8 -5.1 2.5 -34.3 -4.3 249 249 A A < - 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