==== 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 3PYD . 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 . 298 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13276.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 215 72.1 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 . 60 20.1 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 . 19 6.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 24 8.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 87 29.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 1.7 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 0 1 2 1 0 2 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 0 2 2 1 0 2 0 0 0 0 0 0 1 0 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 5 A S 0 0 69 0, 0.0 2,-0.4 0, 0.0 42,-0.2 0.000 360.0 360.0 360.0 141.7 7.7 5.4 14.6 2 6 A V E -A 42 0A 5 40,-2.2 40,-2.8 296,-0.1 2,-0.4 -0.993 360.0-163.4-133.2 128.5 7.2 1.7 15.4 3 7 A T E -AB 41 297A 17 294,-2.5 293,-3.1 -2,-0.4 294,-1.5 -0.934 4.8-165.9-115.3 136.9 6.6 -1.2 13.1 4 8 A V E -AB 40 295A 0 36,-2.4 36,-2.6 -2,-0.4 2,-0.4 -0.968 9.9-147.5-120.2 129.8 5.2 -4.5 14.3 5 9 A R E +AB 39 294A 72 289,-2.6 289,-2.2 -2,-0.4 34,-0.2 -0.836 22.5 177.0 -96.6 137.0 5.2 -7.7 12.2 6 10 A V E -A 38 0A 0 32,-2.5 32,-2.4 -2,-0.4 2,-0.2 -0.999 17.5-133.5-146.6 134.9 2.3 -10.1 12.8 7 11 A P E -A 37 0A 4 0, 0.0 30,-0.2 0, 0.0 28,-0.1 -0.524 12.2-123.8 -94.2 156.9 1.3 -13.5 11.2 8 12 A G E -A 34 0A 1 28,-2.6 26,-2.0 26,-0.6 2,-0.3 -0.426 34.6-130.3 -79.2 165.6 -1.9 -15.0 9.9 9 13 A K E -A 33 0A 21 90,-2.0 2,-0.3 24,-0.2 24,-0.2 -0.857 14.4-157.4-123.3 155.9 -3.0 -18.3 11.4 10 14 A V E -A 32 0A 2 22,-2.4 22,-2.0 -2,-0.3 2,-0.7 -0.956 23.4-125.0-122.0 149.1 -4.1 -21.7 10.2 11 15 A N E +A 31 0A 12 -2,-0.3 20,-0.2 20,-0.2 241,-0.2 -0.866 24.8 179.4 -92.7 111.3 -6.2 -24.2 12.1 12 16 A L E S+ 0 0 0 18,-2.2 207,-2.2 -2,-0.7 2,-0.3 0.727 75.7 17.5 -77.1 -27.4 -4.3 -27.6 12.2 13 17 A Y E +Ac 30 219A 10 17,-0.9 17,-2.1 205,-0.2 2,-0.3 -0.980 65.6 178.0-151.8 128.3 -7.0 -29.3 14.3 14 18 A L E -Ac 29 220A 5 205,-1.1 207,-2.8 -2,-0.3 2,-0.4 -0.823 2.9-176.1-143.3 102.4 -10.6 -28.3 14.8 15 19 A A E -A 28 0A 15 13,-2.8 13,-1.6 -2,-0.3 2,-0.6 -0.833 10.3-159.4-100.5 133.4 -13.0 -30.3 16.9 16 20 A V E -A 27 0A 1 -2,-0.4 11,-0.2 11,-0.2 3,-0.1 -0.938 10.4-138.6-121.0 115.4 -16.6 -29.1 17.0 17 21 A G - 0 0 27 9,-3.3 3,-0.1 -2,-0.6 11,-0.0 -0.188 37.6 -84.5 -64.7 160.0 -18.9 -30.2 19.8 18 22 A D - 0 0 100 1,-0.1 8,-0.4 7,-0.1 2,-0.2 -0.331 60.4 -85.2 -62.0 150.5 -22.6 -31.1 19.1 19 23 A R + 0 0 141 6,-0.1 6,-0.2 -3,-0.1 -1,-0.1 -0.371 51.8 177.0 -63.2 127.1 -24.9 -28.1 19.1 20 24 A R > - 0 0 119 4,-2.3 3,-0.8 -2,-0.2 2,-0.3 -0.006 36.9 -53.5 -96.9-149.9 -26.3 -27.1 22.5 21 25 A E T 3 S+ 0 0 156 1,-0.4 0, 0.0 2,-0.2 0, 0.0 -0.977 129.1 38.2-138.7 141.5 -28.5 -24.1 23.2 22 26 A D T 3 S- 0 0 142 -2,-0.3 -1,-0.4 0, 0.0 -2,-0.1 -0.281 125.2 -98.2 -73.5 83.8 -28.4 -21.3 22.6 23 27 A G S < S+ 0 0 25 -3,-0.8 -2,-0.2 1,-0.2 2,-0.1 0.612 71.7 157.1 50.3 20.2 -27.1 -23.3 19.7 24 28 A Y - 0 0 85 -5,-0.1 -4,-2.3 1,-0.0 2,-0.5 -0.470 33.0-147.4 -77.2 146.6 -23.4 -22.8 20.7 25 29 A H - 0 0 11 -6,-0.2 2,-0.2 -2,-0.1 -6,-0.1 -0.970 12.9-136.8-113.9 121.3 -20.7 -25.3 19.5 26 30 A E - 0 0 96 -2,-0.5 -9,-3.3 -8,-0.4 2,-0.3 -0.501 27.4-160.8 -71.4 144.9 -17.8 -25.9 21.9 27 31 A L E -A 16 0A 39 -11,-0.2 2,-0.4 -2,-0.2 -11,-0.2 -0.923 25.2-173.4-126.5 149.3 -14.5 -26.0 20.2 28 32 A T E +A 15 0A 36 -13,-1.6 -13,-2.8 -2,-0.3 2,-0.3 -0.967 25.7 170.5-133.4 133.9 -11.0 -27.2 20.7 29 33 A T E -AD 14 148A 10 119,-2.5 119,-3.2 -2,-0.4 2,-0.6 -0.968 35.1-135.2-140.1 150.6 -8.5 -26.1 18.1 30 34 A V E -AD 13 147A 0 -17,-2.1 -18,-2.2 -2,-0.3 -17,-0.9 -0.967 28.0-156.8-104.6 116.4 -4.8 -26.1 17.4 31 35 A F E -AD 11 146A 24 115,-2.7 115,-2.1 -2,-0.6 2,-0.4 -0.713 8.3-170.0 -91.9 145.0 -3.7 -22.7 16.1 32 36 A H E -AD 10 145A 0 -22,-2.0 -22,-2.4 -2,-0.3 2,-0.5 -0.965 13.5-144.2-142.5 117.4 -0.5 -22.4 14.0 33 37 A A E -A 9 0A 0 111,-3.0 257,-1.1 -2,-0.4 2,-0.3 -0.700 23.2-170.7 -84.0 126.1 1.1 -19.1 13.0 34 38 A V E -A 8 0A 0 -26,-2.0 2,-1.5 -2,-0.5 -26,-0.6 -0.794 36.9 -93.3-119.8 167.8 2.6 -19.0 9.5 35 39 A S E S+ 0 0 35 252,-2.3 2,-0.6 -2,-0.3 253,-0.1 -0.038 85.3 109.5 -79.3 34.2 4.8 -16.6 7.6 36 40 A L E - 0 0 1 -2,-1.5 -28,-2.6 -28,-0.2 2,-0.3 -0.964 58.9-178.5 -98.3 118.8 2.1 -14.7 5.7 37 41 A V E -A 7 0A 15 -2,-0.6 55,-1.0 -30,-0.2 2,-0.4 -0.831 38.0-150.8-129.2 155.5 2.3 -11.4 7.5 38 42 A D E -AE 6 91A 0 -32,-2.4 -32,-2.5 -2,-0.3 2,-0.5 -0.913 17.8-154.7-107.3 148.2 1.0 -7.9 8.0 39 43 A E E -AE 5 90A 58 51,-2.1 51,-3.1 -2,-0.4 2,-0.5 -0.994 9.3-164.2-120.5 125.6 3.3 -5.1 9.2 40 44 A V E -AE 4 89A 0 -36,-2.6 -36,-2.4 -2,-0.5 2,-0.5 -0.936 2.6-159.9-115.7 128.5 1.8 -2.2 11.0 41 45 A T E -AE 3 88A 30 47,-3.0 47,-3.3 -2,-0.5 2,-0.4 -0.898 9.1-167.8-107.8 132.8 3.6 1.0 11.5 42 46 A V E +AE 2 87A 0 -40,-2.8 -40,-2.2 -2,-0.5 2,-0.3 -0.970 7.4 176.5-127.5 135.0 2.4 3.4 14.2 43 47 A R E - E 0 86A 129 43,-2.0 43,-3.0 -2,-0.4 2,-0.1 -0.966 38.9 -97.6-133.6 149.5 3.3 7.0 14.8 44 48 A N E + E 0 85A 103 -2,-0.3 2,-0.3 41,-0.2 41,-0.3 -0.431 55.6 165.8 -60.2 138.2 2.3 9.8 17.2 45 49 A A - 0 0 37 39,-2.3 3,-0.1 -2,-0.1 -1,-0.0 -0.893 50.8-101.8-149.1 176.6 -0.2 12.0 15.5 46 50 A D S S+ 0 0 156 -2,-0.3 2,-0.3 1,-0.2 38,-0.1 0.762 102.5 3.1 -76.0 -24.4 -2.8 14.8 16.2 47 51 A V S S- 0 0 97 37,-0.1 2,-0.3 36,-0.1 -1,-0.2 -0.966 92.7 -78.2-157.2 156.8 -5.7 12.4 15.9 48 52 A L + 0 0 16 -2,-0.3 2,-0.3 36,-0.2 38,-0.2 -0.515 56.2 168.5 -64.3 124.1 -6.4 8.6 15.5 49 53 A S E -f 86 0A 58 36,-2.2 38,-2.7 -2,-0.3 2,-0.4 -0.989 17.9-160.4-138.7 153.8 -6.1 7.7 11.8 50 54 A L E +f 87 0A 14 12,-0.4 2,-0.3 -2,-0.3 38,-0.2 -0.995 11.7 170.3-138.7 134.1 -5.9 4.4 9.9 51 55 A E E -f 88 0A 126 36,-2.3 38,-3.1 -2,-0.4 2,-0.4 -0.997 10.5-163.2-143.5 142.3 -4.6 3.5 6.4 52 56 A L E -f 89 0A 19 -2,-0.3 2,-0.3 36,-0.2 38,-0.2 -0.963 5.5-176.9-127.8 144.7 -4.0 0.2 4.7 53 57 A V E +f 90 0A 59 36,-2.9 38,-2.9 -2,-0.4 2,-0.2 -0.913 37.8 76.0-130.6 166.4 -2.1 -0.9 1.6 54 58 A G S > S- 0 0 36 -2,-0.3 3,-1.7 36,-0.2 4,-0.5 -0.443 92.3 -45.4 114.7 168.8 -1.7 -4.3 -0.1 55 59 A E T 3 S+ 0 0 146 36,-0.4 3,-0.3 1,-0.3 -1,-0.2 0.785 134.6 21.5 -42.4 -57.0 -3.8 -6.5 -2.4 56 60 A G T > S+ 0 0 6 1,-0.2 3,-2.2 -3,-0.1 4,-0.5 0.454 91.2 108.6 -93.0 3.0 -7.2 -6.3 -0.7 57 61 A A G X + 0 0 8 -3,-1.7 3,-1.4 1,-0.3 -1,-0.2 0.800 64.8 69.4 -54.9 -39.8 -6.6 -3.1 1.3 58 62 A D G 3 S+ 0 0 163 -4,-0.5 -1,-0.3 -3,-0.3 -2,-0.1 0.789 98.2 53.4 -41.4 -37.6 -9.0 -1.0 -0.7 59 63 A Q G < S+ 0 0 136 -3,-2.2 -1,-0.2 2,-0.1 -2,-0.2 0.688 87.0 92.7 -80.6 -25.9 -12.0 -2.9 0.7 60 64 A L S < S- 0 0 43 -3,-1.4 -8,-0.1 -4,-0.5 2,-0.1 -0.468 77.8-113.3 -80.9 143.9 -11.4 -2.6 4.4 61 65 A P - 0 0 35 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 -0.405 14.3-154.5 -70.5 149.2 -12.9 0.2 6.5 62 66 A T + 0 0 70 -2,-0.1 -12,-0.4 6,-0.0 2,-0.2 -0.172 69.7 68.3-115.8 36.4 -10.5 2.7 8.0 63 67 A D S > S- 0 0 39 -14,-0.1 3,-2.4 0, 0.0 6,-0.3 -0.577 108.8 -50.6-132.2-159.6 -12.8 3.7 10.9 64 68 A E T 3 S+ 0 0 112 1,-0.3 6,-0.2 -2,-0.2 9,-0.0 0.639 122.8 67.6 -54.6 -21.3 -14.1 2.1 14.1 65 69 A R T 3 S+ 0 0 179 4,-0.1 2,-0.6 5,-0.0 -1,-0.3 0.586 81.9 90.3 -83.1 -2.3 -15.4 -1.0 12.4 66 70 A N S X> S- 0 0 12 -3,-2.4 4,-2.0 1,-0.1 3,-1.1 -0.810 77.9-140.2 -88.1 121.8 -11.8 -2.0 11.8 67 71 A L H 3> S+ 0 0 31 -2,-0.6 4,-2.4 1,-0.3 -1,-0.1 0.806 102.6 59.2 -49.8 -34.7 -10.5 -4.1 14.7 68 72 A A H 3> S+ 0 0 0 2,-0.2 4,-1.7 1,-0.2 -1,-0.3 0.882 106.1 48.9 -64.8 -34.1 -7.1 -2.4 14.5 69 73 A W H <> S+ 0 0 31 -3,-1.1 4,-1.8 -6,-0.3 -2,-0.2 0.934 110.4 50.0 -68.2 -48.0 -8.9 0.9 15.1 70 74 A Q H X S+ 0 0 72 -4,-2.0 4,-2.2 -7,-0.2 -2,-0.2 0.872 107.6 55.8 -56.2 -40.3 -10.8 -0.6 18.1 71 75 A A H X S+ 0 0 0 -4,-2.4 4,-3.0 1,-0.2 5,-0.2 0.898 105.3 50.6 -60.0 -43.9 -7.4 -1.9 19.4 72 76 A A H X S+ 0 0 0 -4,-1.7 4,-2.1 1,-0.2 -1,-0.2 0.885 112.2 47.7 -63.2 -38.9 -5.9 1.6 19.4 73 77 A E H X S+ 0 0 77 -4,-1.8 4,-2.0 2,-0.2 -1,-0.2 0.860 113.7 47.0 -69.9 -35.8 -8.9 2.9 21.3 74 78 A L H X S+ 0 0 16 -4,-2.2 4,-2.7 2,-0.2 -2,-0.2 0.941 112.3 48.6 -72.8 -45.6 -8.8 0.1 23.8 75 79 A M H X S+ 0 0 0 -4,-3.0 4,-1.1 1,-0.2 -2,-0.2 0.946 113.8 47.5 -57.3 -50.7 -5.0 0.4 24.4 76 80 A A H ><>S+ 0 0 1 -4,-2.1 5,-2.9 -5,-0.2 3,-0.6 0.909 113.3 47.3 -55.2 -48.2 -5.4 4.2 24.9 77 81 A E H ><5S+ 0 0 134 -4,-2.0 3,-1.7 1,-0.2 -1,-0.2 0.899 103.1 63.9 -63.7 -38.8 -8.3 3.8 27.3 78 82 A H H 3<5S+ 0 0 75 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.826 114.2 32.4 -54.6 -34.3 -6.4 1.2 29.2 79 83 A V T <<5S- 0 0 49 -4,-1.1 -1,-0.3 -3,-0.6 -2,-0.2 0.160 117.3-105.1-111.6 17.2 -3.8 3.8 30.2 80 84 A G T < 5S+ 0 0 74 -3,-1.7 2,-0.3 1,-0.2 -3,-0.2 0.809 78.7 121.1 70.1 32.9 -6.0 6.9 30.4 81 85 A R < - 0 0 113 -5,-2.9 -1,-0.2 -6,-0.1 -2,-0.1 -0.803 66.5-105.4-123.8 162.8 -4.9 8.5 27.1 82 86 A A - 0 0 51 -2,-0.3 2,-2.6 1,-0.1 -9,-0.0 -0.710 36.7-117.2 -83.0 140.3 -6.4 9.7 23.8 83 87 A P + 0 0 30 0, 0.0 2,-2.4 0, 0.0 -10,-0.1 -0.258 50.2 163.3 -76.8 56.6 -5.6 7.4 20.8 84 88 A D + 0 0 69 -2,-2.6 -39,-2.3 -36,-0.1 2,-0.4 -0.425 31.4 118.4 -78.0 71.3 -3.6 10.1 19.1 85 89 A V E -E 44 0A 0 -2,-2.4 -36,-2.2 -41,-0.3 2,-0.5 -0.986 58.9-136.8-143.9 141.9 -1.8 7.8 16.7 86 90 A S E -Ef 43 49A 27 -43,-3.0 -43,-2.0 -2,-0.4 2,-0.5 -0.888 23.2-157.7 -99.6 132.7 -1.6 7.2 12.9 87 91 A I E -Ef 42 50A 3 -38,-2.7 -36,-2.3 -2,-0.5 2,-0.5 -0.944 9.9-173.1-116.6 124.5 -1.7 3.6 11.9 88 92 A M E -Ef 41 51A 55 -47,-3.3 -47,-3.0 -2,-0.5 2,-0.6 -0.953 8.4-163.4-117.4 116.2 -0.3 2.3 8.6 89 93 A I E -Ef 40 52A 0 -38,-3.1 -36,-2.9 -2,-0.5 2,-0.9 -0.880 9.3-165.5-107.3 117.0 -1.0 -1.3 7.7 90 94 A D E -Ef 39 53A 82 -51,-3.1 -51,-2.1 -2,-0.6 2,-0.5 -0.836 23.3-157.7 -94.6 100.7 1.0 -3.1 5.0 91 95 A K E +E 38 0A 16 -38,-2.9 -36,-0.4 -2,-0.9 -53,-0.2 -0.709 39.9 150.1 -89.7 126.9 -1.1 -6.3 4.4 92 96 A S + 0 0 58 -55,-1.0 -54,-0.2 -2,-0.5 -1,-0.1 0.288 54.9 98.6-120.2 -2.6 0.2 -9.5 2.9 93 97 A I S S- 0 0 2 -57,-0.1 3,-0.1 -56,-0.1 4,-0.1 -0.787 93.2-106.7 -80.0 116.3 -2.3 -11.6 4.8 94 98 A P > - 0 0 17 0, 0.0 3,-1.8 0, 0.0 5,-0.4 -0.121 35.7-105.9 -55.4 134.9 -5.0 -12.1 2.1 95 99 A V T 3 S+ 0 0 21 1,-0.3 -38,-0.0 2,-0.1 -40,-0.0 -0.371 103.4 1.1 -65.2 130.5 -8.1 -10.1 2.7 96 100 A A T 3 S+ 0 0 95 -2,-0.1 -1,-0.3 -3,-0.1 -3,-0.0 0.839 94.1 141.4 59.8 31.8 -11.0 -12.2 3.9 97 101 A G < - 0 0 4 -3,-1.8 -2,-0.1 -4,-0.1 -1,-0.1 0.474 67.9-118.2 -85.3 -5.1 -8.5 -15.0 3.6 98 102 A G S S+ 0 0 48 -4,-0.1 156,-0.1 1,-0.1 -3,-0.1 0.648 87.9 109.4 76.4 15.3 -9.7 -16.8 6.7 99 103 A M S S- 0 0 2 -5,-0.4 -90,-2.0 -89,-0.1 5,-0.1 0.140 93.8-107.8-108.8 20.2 -6.3 -16.4 8.4 100 104 A A > + 0 0 24 -92,-0.2 4,-2.3 3,-0.1 5,-0.1 0.876 58.8 161.7 57.3 43.5 -7.6 -13.8 11.0 101 105 A G H > S+ 0 0 11 -7,-0.3 4,-2.1 1,-0.2 5,-0.1 0.840 71.9 52.3 -60.9 -36.2 -5.8 -10.9 9.3 102 106 A G H > S+ 0 0 35 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.907 110.5 47.7 -69.5 -39.9 -7.9 -8.3 11.1 103 107 A S H > S+ 0 0 18 2,-0.2 4,-2.5 1,-0.2 -2,-0.2 0.888 108.6 54.9 -66.1 -39.2 -7.2 -9.9 14.4 104 108 A A H X S+ 0 0 0 -4,-2.3 4,-2.3 1,-0.2 -2,-0.2 0.933 107.5 50.6 -58.1 -44.8 -3.5 -9.9 13.5 105 109 A D H X S+ 0 0 2 -4,-2.1 4,-2.1 2,-0.2 -2,-0.2 0.924 109.3 50.0 -60.4 -43.4 -3.7 -6.2 12.8 106 110 A A H X S+ 0 0 0 -4,-2.0 4,-2.3 1,-0.2 -1,-0.2 0.938 110.7 49.6 -61.1 -47.2 -5.3 -5.5 16.2 107 111 A A H X S+ 0 0 0 -4,-2.5 4,-2.1 1,-0.2 -1,-0.2 0.908 110.0 51.9 -55.3 -43.2 -2.7 -7.5 18.0 108 112 A A H X S+ 0 0 0 -4,-2.3 4,-2.8 1,-0.2 -1,-0.2 0.858 107.0 52.8 -65.3 -36.6 0.0 -5.6 16.1 109 113 A V H X S+ 0 0 0 -4,-2.1 4,-2.6 2,-0.2 5,-0.4 0.942 106.6 52.4 -64.1 -47.3 -1.5 -2.2 17.2 110 114 A L H X S+ 0 0 0 -4,-2.3 4,-2.6 1,-0.2 -2,-0.2 0.950 114.7 42.6 -51.3 -52.7 -1.5 -3.2 20.8 111 115 A V H X S+ 0 0 8 -4,-2.1 4,-2.1 2,-0.2 5,-0.2 0.930 113.2 51.7 -59.9 -48.0 2.2 -4.1 20.6 112 116 A A H X S+ 0 0 0 -4,-2.8 4,-3.8 1,-0.2 -2,-0.2 0.928 115.4 40.7 -57.7 -50.9 3.2 -1.0 18.5 113 117 A M H X S+ 0 0 0 -4,-2.6 4,-2.9 2,-0.2 6,-0.4 0.907 108.8 60.1 -63.8 -46.4 1.6 1.4 20.9 114 118 A N H <>S+ 0 0 14 -4,-2.6 6,-2.1 -5,-0.4 5,-1.7 0.899 118.6 31.9 -45.9 -43.5 2.8 -0.4 23.9 115 119 A S H ><5S+ 0 0 36 -4,-2.1 3,-1.6 3,-0.2 -2,-0.2 0.897 116.1 54.7 -83.0 -46.3 6.4 0.3 22.5 116 120 A L H 3<5S+ 0 0 23 -4,-3.8 -3,-0.2 1,-0.3 -2,-0.2 0.904 114.1 42.5 -56.9 -41.7 5.8 3.6 20.8 117 121 A W T 3<5S- 0 0 16 -4,-2.9 -1,-0.3 -5,-0.2 -2,-0.2 0.367 108.4-124.7 -87.9 4.8 4.4 5.1 24.1 118 122 A E T < 5S+ 0 0 162 -3,-1.6 -3,-0.2 -5,-0.2 -4,-0.1 0.811 72.9 129.1 54.6 32.3 7.1 3.5 26.2 119 123 A L < - 0 0 48 -5,-1.7 -4,-0.2 -6,-0.4 -5,-0.1 0.894 38.3-174.6 -77.4 -44.9 4.4 1.8 28.3 120 124 A N - 0 0 113 -6,-2.1 3,-0.1 -9,-0.1 -5,-0.1 0.881 8.0-177.1 45.4 49.5 5.8 -1.7 28.0 121 125 A V - 0 0 27 1,-0.1 -1,-0.1 2,-0.1 5,-0.1 -0.420 40.8 -84.1 -65.6 152.1 2.9 -3.4 29.9 122 126 A P >> - 0 0 46 0, 0.0 4,-1.5 0, 0.0 3,-1.1 -0.196 34.4-115.2 -58.6 151.5 3.6 -7.1 30.3 123 127 A R H 3> S+ 0 0 92 1,-0.3 4,-2.1 2,-0.2 5,-0.2 0.839 116.5 63.5 -58.6 -28.7 2.7 -9.3 27.4 124 128 A R H 3> S+ 0 0 162 1,-0.2 4,-1.5 2,-0.2 -1,-0.3 0.841 100.6 50.7 -65.9 -32.8 0.1 -10.9 29.6 125 129 A D H <> S+ 0 0 45 -3,-1.1 4,-2.3 2,-0.2 -1,-0.2 0.881 107.8 53.8 -69.3 -38.3 -1.8 -7.5 29.9 126 130 A L H X S+ 0 0 2 -4,-1.5 4,-2.6 2,-0.2 -2,-0.2 0.907 108.7 48.2 -60.6 -42.4 -1.8 -7.2 26.1 127 131 A R H X S+ 0 0 80 -4,-2.1 4,-2.0 2,-0.2 -1,-0.2 0.854 107.2 56.4 -73.5 -27.0 -3.4 -10.6 25.7 128 132 A M H X S+ 0 0 82 -4,-1.5 4,-0.9 2,-0.2 -2,-0.2 0.950 111.2 43.3 -61.6 -47.7 -5.9 -9.7 28.4 129 133 A L H >X S+ 0 0 3 -4,-2.3 4,-1.1 1,-0.2 3,-0.8 0.895 108.9 59.4 -64.6 -37.2 -6.8 -6.7 26.2 130 134 A A H >X S+ 0 0 0 -4,-2.6 4,-1.9 1,-0.2 3,-0.7 0.904 98.2 58.2 -59.6 -40.3 -6.7 -8.9 23.1 131 135 A A H 3< S+ 0 0 65 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.815 102.7 55.2 -59.5 -29.5 -9.5 -11.2 24.6 132 136 A R H << S+ 0 0 175 -4,-0.9 -1,-0.2 -3,-0.8 -2,-0.2 0.811 108.2 48.2 -73.0 -29.7 -11.7 -8.1 24.7 133 137 A L H << S- 0 0 26 -4,-1.1 2,-0.3 -3,-0.7 -2,-0.2 0.875 126.8 -42.4 -79.9 -37.2 -11.3 -7.4 21.1 134 138 A G >< - 0 0 23 -4,-1.9 3,-1.1 1,-0.1 -1,-0.3 -0.905 50.1 -98.6 170.7 156.8 -11.9 -10.9 19.6 135 139 A S T 3 S+ 0 0 107 -2,-0.3 4,-0.3 1,-0.3 -4,-0.1 0.680 117.7 47.5 -70.6 -17.4 -11.3 -14.5 20.1 136 140 A D T 3> S+ 0 0 48 2,-0.1 4,-1.4 1,-0.1 -1,-0.3 0.557 92.0 80.1 -96.9 -9.3 -8.5 -14.7 17.5 137 141 A V H <> S+ 0 0 0 -3,-1.1 4,-1.6 -7,-0.3 5,-0.2 0.909 86.0 56.2 -69.2 -41.0 -6.5 -11.7 18.7 138 142 A P H > S+ 0 0 22 0, 0.0 4,-2.5 0, 0.0 3,-0.3 0.920 106.6 51.2 -60.3 -38.9 -4.8 -13.4 21.6 139 143 A F H > S+ 0 0 5 -4,-0.3 4,-3.8 1,-0.2 -2,-0.2 0.878 103.3 57.8 -64.3 -34.5 -3.3 -16.0 19.3 140 144 A A H < S+ 0 0 8 -4,-1.4 153,-2.3 1,-0.2 -1,-0.2 0.847 111.2 44.5 -65.7 -29.6 -2.0 -13.3 17.0 141 145 A L H < S+ 0 0 2 -4,-1.6 151,-0.3 -3,-0.3 -2,-0.2 0.938 117.6 44.4 -68.3 -50.0 -0.1 -12.0 20.0 142 146 A H H < S+ 0 0 40 -4,-2.5 150,-0.7 -5,-0.2 -2,-0.2 0.914 83.8 169.5 -67.3 -45.8 1.1 -15.5 21.1 143 147 A G B < +H 291 0B 0 -4,-3.8 -1,-0.1 148,-0.2 -2,-0.1 -0.256 38.0 78.3 64.2-154.9 2.1 -16.8 17.7 144 148 A G S S- 0 0 19 146,-2.6 -111,-3.0 -112,-0.1 146,-0.4 -0.345 106.2 -49.9 55.4-129.0 4.0 -20.1 17.4 145 149 A T E -DG 32 158A 0 13,-0.6 13,-2.6 -113,-0.2 2,-0.3 -0.977 64.6-179.1-135.5 143.9 1.5 -22.9 17.8 146 150 A A E -DG 31 157A 0 -115,-2.1 -115,-2.7 -2,-0.3 2,-0.5 -0.999 26.8-130.5-147.8 148.1 -1.0 -23.2 20.6 147 151 A L E -DG 30 156A 33 9,-2.4 9,-2.3 -2,-0.3 2,-0.6 -0.881 19.9-167.4 -95.0 125.9 -3.8 -25.5 21.9 148 152 A G E -D 29 0A 9 -119,-3.2 -119,-2.5 -2,-0.5 7,-0.1 -0.941 6.2-177.9-115.5 110.2 -7.0 -23.7 22.6 149 153 A T - 0 0 73 -2,-0.6 2,-0.3 5,-0.4 -1,-0.1 0.440 59.6 -21.9 -95.5 2.6 -9.3 -25.9 24.6 150 154 A G S > S- 0 0 15 3,-0.1 3,-1.1 1,-0.1 -1,-0.2 -0.925 78.0 -65.6 163.9 172.5 -12.3 -23.6 24.8 151 155 A R T 3 S+ 0 0 117 1,-0.3 -1,-0.1 -2,-0.3 -123,-0.0 0.791 123.2 20.3 -48.9 -54.8 -13.9 -20.1 24.7 152 156 A G T 3 S+ 0 0 75 -3,-0.1 -1,-0.3 2,-0.1 -21,-0.0 0.393 97.3 122.1-100.4 3.8 -12.4 -18.4 27.8 153 157 A E < - 0 0 116 -3,-1.1 2,-0.2 1,-0.1 -3,-0.1 -0.266 65.4-111.5 -71.6 149.5 -9.4 -20.7 28.2 154 158 A E - 0 0 155 1,-0.1 -5,-0.4 -5,-0.0 2,-0.2 -0.498 40.1-101.5 -71.6 147.1 -5.8 -19.5 28.1 155 159 A L - 0 0 32 -2,-0.2 2,-0.6 -7,-0.1 -7,-0.2 -0.521 28.5-138.9 -70.0 135.5 -3.6 -20.6 25.1 156 160 A A E -G 147 0A 48 -9,-2.3 -9,-2.4 -2,-0.2 2,-0.2 -0.883 21.6-125.0 -99.7 120.4 -1.3 -23.5 25.7 157 161 A T E -G 146 0A 90 -2,-0.6 2,-0.5 -11,-0.2 -11,-0.2 -0.387 21.9-166.7 -68.3 130.0 2.1 -23.0 24.1 158 162 A V E -G 145 0A 14 -13,-2.6 -13,-0.6 -2,-0.2 2,-0.3 -0.968 6.3-160.1-119.1 113.4 3.3 -25.8 21.7 159 163 A L - 0 0 133 -2,-0.5 2,-0.4 -15,-0.1 -13,-0.0 -0.741 8.2-145.5 -92.6 143.4 7.0 -25.6 20.8 160 164 A S - 0 0 33 -2,-0.3 47,-0.2 1,-0.1 48,-0.1 -0.860 14.8-148.8-111.5 142.9 8.3 -27.4 17.6 161 165 A R S S+ 0 0 189 46,-0.9 2,-0.3 45,-0.6 -1,-0.1 0.887 85.1 24.0 -68.0 -40.5 11.7 -29.0 17.0 162 166 A N S S- 0 0 80 44,-0.4 2,-0.2 45,-0.0 47,-0.1 -0.790 83.8-101.0-123.4 163.3 11.6 -28.2 13.3 163 167 A T - 0 0 77 -2,-0.3 2,-0.3 46,-0.1 127,-0.0 -0.604 35.3-144.3 -72.4 142.0 10.1 -25.7 10.8 164 168 A F E -I 288 0C 2 124,-4.0 124,-1.7 -2,-0.2 2,-0.4 -0.845 7.9-135.0-107.3 154.5 7.1 -26.9 8.8 165 169 A H E -IJ 287 261C 38 96,-0.7 96,-3.0 -2,-0.3 2,-0.3 -0.917 23.9-175.4-118.4 132.7 6.3 -26.0 5.2 166 170 A W E -IJ 286 260C 2 120,-2.8 120,-2.0 -2,-0.4 2,-0.5 -0.878 25.1-154.3-126.5 147.4 3.0 -25.0 3.8 167 171 A V E -IJ 285 259C 0 92,-2.3 92,-3.4 -2,-0.3 2,-0.5 -0.999 21.4-163.6-112.3 129.4 1.1 -24.1 0.7 168 172 A L E -IJ 284 258C 0 116,-2.9 116,-2.7 -2,-0.5 2,-0.4 -0.953 5.1-170.1-112.0 131.0 -1.9 -21.9 1.4 169 173 A A E -IJ 283 257C 1 88,-2.6 88,-2.6 -2,-0.5 2,-0.3 -0.981 3.0-160.2-128.6 136.6 -4.6 -21.5 -1.3 170 174 A F E -I 282 0C 2 112,-2.6 111,-1.9 -2,-0.4 112,-1.4 -0.847 8.6-137.7-121.1 144.5 -7.4 -19.0 -1.3 171 175 A A - 0 0 35 -2,-0.3 109,-0.1 109,-0.2 85,-0.1 -0.426 25.8-115.6 -92.8 171.8 -10.8 -18.9 -3.1 172 176 A D S S+ 0 0 134 -2,-0.1 2,-0.3 1,-0.1 -1,-0.1 0.570 99.5 31.9 -85.9 -9.8 -12.4 -15.8 -4.7 173 177 A S S S- 0 0 79 82,-0.0 -2,-0.2 2,-0.0 -1,-0.1 -0.981 80.8-125.1-143.3 152.9 -15.3 -15.8 -2.3 174 178 A G - 0 0 51 -2,-0.3 2,-0.4 81,-0.1 -2,-0.1 -0.104 15.3-123.6 -85.4-174.5 -15.7 -16.8 1.3 175 179 A L - 0 0 39 79,-0.9 78,-0.1 -2,-0.0 5,-0.1 -0.962 30.5-117.0-133.5 118.4 -18.0 -19.3 3.0 176 180 A L > - 0 0 134 -2,-0.4 4,-2.0 1,-0.1 5,-0.2 -0.256 13.0-142.7 -55.9 129.4 -20.1 -17.9 5.9 177 181 A T H > S+ 0 0 83 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.936 102.9 56.9 -59.7 -42.5 -19.2 -19.6 9.2 178 182 A S H > S+ 0 0 73 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.924 107.8 46.2 -50.6 -49.4 -22.9 -19.5 10.1 179 183 A A H > S+ 0 0 35 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.845 111.8 51.8 -67.0 -32.1 -23.8 -21.4 6.9 180 184 A V H X S+ 0 0 0 -4,-2.0 4,-2.2 2,-0.2 -2,-0.2 0.925 108.5 49.9 -72.7 -43.3 -21.1 -23.9 7.5 181 185 A Y H X S+ 0 0 50 -4,-2.9 4,-2.5 2,-0.2 -2,-0.2 0.892 109.7 52.7 -57.2 -42.3 -22.2 -24.6 11.1 182 186 A N H X S+ 0 0 100 -4,-2.0 4,-2.3 -5,-0.2 -1,-0.2 0.918 110.7 46.6 -61.5 -42.2 -25.8 -25.1 9.9 183 187 A E H X S+ 0 0 24 -4,-1.8 4,-2.9 2,-0.2 -1,-0.2 0.855 109.7 53.2 -70.2 -35.2 -24.6 -27.6 7.3 184 188 A L H X S+ 0 0 1 -4,-2.2 4,-2.0 2,-0.2 -2,-0.2 0.945 110.1 48.2 -65.3 -46.0 -22.5 -29.5 9.9 185 189 A D H X S+ 0 0 29 -4,-2.5 4,-1.4 1,-0.2 -2,-0.2 0.940 113.3 48.3 -54.4 -47.8 -25.5 -29.8 12.2 186 190 A R H X S+ 0 0 123 -4,-2.3 4,-2.6 1,-0.2 3,-0.5 0.922 109.5 51.4 -62.3 -43.8 -27.5 -31.0 9.3 187 191 A L H X S+ 0 0 31 -4,-2.9 4,-1.1 1,-0.2 -1,-0.2 0.835 109.1 51.7 -63.6 -32.2 -24.9 -33.5 8.3 188 192 A R H < S+ 0 0 39 -4,-2.0 -1,-0.2 2,-0.2 -2,-0.2 0.744 111.4 48.2 -75.2 -25.0 -24.8 -34.9 11.8 189 193 A E H < S+ 0 0 176 -4,-1.4 -2,-0.2 -3,-0.5 -3,-0.1 0.938 118.3 36.1 -79.3 -51.1 -28.6 -35.3 11.8 190 194 A V H < S- 0 0 108 -4,-2.6 2,-0.2 -5,-0.1 -2,-0.2 0.654 133.3 -15.9 -78.4 -13.6 -28.9 -37.1 8.5 191 195 A G S < S- 0 0 41 -4,-1.1 0, 0.0 -5,-0.3 0, 0.0 -0.677 74.2 -81.4-159.0-151.5 -25.7 -39.1 8.9 192 196 A D - 0 0 145 -2,-0.2 -4,-0.1 3,-0.0 3,-0.1 -0.621 40.1-166.4-141.5 77.0 -22.4 -39.5 10.7 193 197 A P - 0 0 18 0, 0.0 28,-0.0 0, 0.0 -2,-0.0 -0.216 43.7 -70.3 -63.7 159.5 -19.6 -37.2 9.3 194 198 A P - 0 0 95 0, 0.0 2,-0.4 0, 0.0 30,-0.2 -0.206 47.0-154.2 -58.6 130.2 -15.9 -37.9 10.2 195 199 A R - 0 0 119 -3,-0.1 -180,-0.1 -180,-0.1 2,-0.0 -0.860 18.9-120.3-105.7 140.0 -15.0 -37.2 13.8 196 200 A L - 0 0 46 -2,-0.4 21,-0.1 1,-0.1 22,-0.0 -0.320 18.9-117.2 -74.5 161.8 -11.4 -36.3 14.7 197 201 A G - 0 0 55 1,-0.2 -1,-0.1 20,-0.1 22,-0.0 0.121 54.9 -57.4 -71.3-161.0 -9.0 -38.1 17.0 198 202 A E > - 0 0 143 1,-0.1 4,-0.6 -183,-0.0 -1,-0.2 -0.538 37.7-124.6 -88.3 153.4 -7.5 -36.4 20.1 199 203 A P H >> S+ 0 0 23 0, 0.0 4,-1.9 0, 0.0 3,-0.6 0.786 98.2 75.1 -60.6 -33.8 -5.5 -33.2 20.2 200 204 A G H 3> S+ 0 0 45 1,-0.3 4,-2.2 2,-0.2 5,-0.2 0.877 92.0 48.4 -55.6 -49.7 -2.5 -34.9 22.0 201 205 A P H 3> S+ 0 0 66 0, 0.0 4,-1.8 0, 0.0 -1,-0.3 0.834 110.0 55.6 -61.2 -30.0 -1.1 -36.8 19.1 202 206 A V H S+ 0 0 0 -4,-1.8 5,-1.6 2,-0.2 4,-0.7 0.914 113.7 48.6 -69.5 -42.6 3.8 -34.5 16.0 206 210 A L H ><5S+ 0 0 0 -4,-2.5 3,-1.2 1,-0.2 -45,-0.6 0.941 111.6 50.6 -57.0 -47.3 4.2 -30.7 16.0 207 211 A A H 3<5S+ 0 0 43 -4,-3.0 -46,-0.9 1,-0.3 -1,-0.2 0.845 107.7 52.5 -62.9 -36.7 6.7 -31.1 18.9 208 212 A A H 3<5S- 0 0 38 -4,-1.8 -1,-0.3 -5,-0.2 -2,-0.2 0.595 103.1-132.8 -72.5 -11.8 8.7 -33.8 17.0 209 213 A G T <<5 + 0 0 8 -3,-1.2 -3,-0.2 -4,-0.7 -2,-0.1 0.899 58.4 143.4 59.1 42.0 9.0 -31.4 14.0 210 214 A D >< - 0 0 56 -5,-1.6 4,-1.9 1,-0.1 3,-0.2 -0.906 36.0-172.5-122.6 100.6 8.0 -34.4 11.9 211 215 A P H > S+ 0 0 27 0, 0.0 4,-2.7 0, 0.0 -1,-0.1 0.855 87.4 56.0 -63.9 -35.5 5.7 -33.6 8.8 212 216 A D H 4 S+ 0 0 104 1,-0.2 -7,-0.0 2,-0.2 -2,-0.0 0.877 111.9 44.1 -62.5 -37.2 5.1 -37.3 8.0 213 217 A Q H 4 S+ 0 0 83 -3,-0.2 4,-0.3 1,-0.2 -1,-0.2 0.840 117.7 45.0 -73.8 -34.7 3.8 -37.8 11.5 214 218 A L H >X S+ 0 0 0 -4,-1.9 3,-1.8 -9,-0.2 4,-1.1 0.866 96.2 74.1 -78.6 -36.8 1.7 -34.7 11.5 215 219 A A G >< S+ 0 0 7 -4,-2.7 3,-0.7 1,-0.3 -1,-0.2 0.858 96.3 45.6 -52.4 -49.4 0.1 -34.9 8.1 216 220 A P G 34 S+ 0 0 99 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.662 111.4 55.8 -70.7 -12.1 -2.4 -37.7 8.8 217 221 A L G <4 S+ 0 0 59 -3,-1.8 -2,-0.2 -4,-0.3 -20,-0.1 0.653 78.6 107.2 -93.6 -18.4 -3.4 -36.0 12.0 218 222 A L << + 0 0 16 -4,-1.1 2,-0.3 -3,-0.7 -205,-0.2 -0.339 49.8 151.1 -56.7 140.1 -4.3 -32.6 10.5 219 223 A G E -c 13 0A 6 -207,-2.2 -205,-1.1 -208,-0.1 2,-0.3 -0.960 37.7-159.9-172.9 157.0 -8.1 -32.3 10.5 220 224 A N E >> -c 14 0A 12 -2,-0.3 3,-1.3 -207,-0.2 4,-0.5 -0.948 11.8-155.9-145.4 115.5 -11.1 -30.0 10.6 221 225 A E T 34 S+ 0 0 12 -207,-2.8 4,-0.4 -2,-0.3 3,-0.2 0.722 98.4 57.6 -69.0 -15.6 -14.6 -31.2 11.6 222 226 A M T 3> S+ 0 0 10 -208,-0.3 4,-2.4 1,-0.2 3,-0.4 0.657 85.0 82.7 -82.8 -16.7 -16.1 -28.3 9.6 223 227 A Q H <> S+ 0 0 48 -3,-1.3 4,-2.9 1,-0.2 5,-0.3 0.896 85.8 54.6 -55.5 -46.6 -14.4 -29.4 6.4 224 228 A A H X S+ 0 0 27 -4,-0.5 4,-2.1 -3,-0.2 -1,-0.2 0.898 111.3 46.8 -55.4 -39.8 -17.1 -32.0 5.6 225 229 A A H > S+ 0 0 0 -4,-0.4 4,-2.0 -3,-0.4 -2,-0.2 0.911 112.5 47.6 -70.1 -45.5 -19.7 -29.2 5.8 226 230 A A H X S+ 0 0 0 -4,-2.4 4,-2.3 2,-0.2 -2,-0.2 0.910 113.5 49.0 -58.3 -43.8 -17.8 -26.7 3.7 227 231 A V H < S+ 0 0 36 -4,-2.9 -2,-0.2 1,-0.2 -1,-0.2 0.892 107.5 55.2 -67.3 -39.2 -17.2 -29.5 1.1 228 232 A S H < S+ 0 0 53 -4,-2.1 -1,-0.2 -5,-0.3 -2,-0.2 0.904 110.4 45.7 -54.9 -45.2 -20.9 -30.3 1.2 229 233 A L H < S+ 0 0 70 -4,-2.0 -2,-0.2 1,-0.3 -1,-0.2 0.863 132.1 19.0 -70.1 -36.6 -21.6 -26.7 0.4 230 234 A D >< - 0 0 80 -4,-2.3 3,-1.9 -5,-0.1 4,-0.5 -0.800 62.3-169.8-137.1 98.6 -19.0 -26.6 -2.4 231 235 A P T 3> S+ 0 0 76 0, 0.0 4,-1.0 0, 0.0 3,-0.4 0.642 82.4 77.1 -58.8 -15.0 -17.8 -29.9 -3.8 232 236 A A H 3> S+ 0 0 35 1,-0.2 4,-2.5 2,-0.2 3,-0.2 0.834 82.1 65.6 -66.4 -30.4 -15.0 -28.0 -5.6 233 237 A L H <> S+ 0 0 15 -3,-1.9 4,-2.6 1,-0.2 -1,-0.2 0.923 98.3 54.5 -54.1 -42.2 -13.1 -27.7 -2.3 234 238 A A H > S+ 0 0 26 -4,-0.5 4,-1.8 -3,-0.4 -1,-0.2 0.864 108.2 47.7 -62.4 -37.7 -12.7 -31.5 -2.4 235 239 A R H X S+ 0 0 141 -4,-1.0 4,-2.8 -3,-0.2 -1,-0.2 0.893 110.3 51.7 -69.7 -41.7 -11.1 -31.3 -5.9 236 240 A A H X S+ 0 0 10 -4,-2.5 4,-2.2 2,-0.2 -2,-0.2 0.928 109.4 50.8 -58.5 -45.0 -8.7 -28.6 -4.8 237 241 A L H X S+ 0 0 15 -4,-2.6 4,-1.6 -5,-0.2 -2,-0.2 0.912 112.1 46.4 -62.2 -41.5 -7.7 -30.6 -1.8 238 242 A R H X S+ 0 0 132 -4,-1.8 4,-3.0 1,-0.2 5,-0.3 0.916 108.7 56.0 -66.8 -41.6 -7.0 -33.7 -4.1 239 243 A A H X S+ 0 0 27 -4,-2.8 4,-2.3 1,-0.2 -2,-0.2 0.907 107.3 49.4 -55.2 -42.5 -5.1 -31.5 -6.6 240 244 A G H <>S+ 0 0 0 -4,-2.2 5,-2.3 2,-0.2 4,-0.2 0.912 113.3 45.3 -65.6 -41.1 -2.7 -30.3 -3.9 241 245 A V H ><5S+ 0 0 65 -4,-1.6 3,-1.5 3,-0.2 -2,-0.2 0.908 112.5 50.8 -69.5 -41.6 -2.0 -33.8 -2.6 242 246 A E H 3<5S+ 0 0 155 -4,-3.0 -2,-0.2 1,-0.3 -1,-0.2 0.876 104.3 59.4 -63.1 -36.8 -1.6 -35.2 -6.2 243 247 A A T 3<5S- 0 0 8 -4,-2.3 -1,-0.3 -5,-0.3 -2,-0.2 0.591 135.7 -86.3 -64.2 -11.6 0.8 -32.3 -6.8 244 248 A G T < 5S+ 0 0 36 -3,-1.5 18,-0.2 1,-0.3 -3,-0.2 0.328 78.9 142.1 125.1 -10.0 2.9 -33.7 -3.9 245 249 A A < - 0 0 5 -5,-2.3 -1,-0.3 1,-0.1 16,-0.2 -0.352 51.5-133.7 -62.8 144.4 1.6 -32.3 -0.6 246 250 A L S S- 0 0 54 14,-2.0 2,-0.3 1,-0.2 15,-0.2 0.887 81.9 -20.1 -62.4 -42.1 1.6 -34.7 2.3 247 251 A A E -K 260 0C 18 13,-1.2 13,-1.8 -7,-0.1 2,-0.3 -0.980 59.0-151.2-160.4 162.0 -2.0 -33.7 3.2 248 252 A G E +K 259 0C 15 -2,-0.3 2,-0.3 11,-0.2 11,-0.2 -0.998 15.9 169.0-140.3 142.9 -4.5 -30.9 2.7 249 253 A I E -K 258 0C 10 9,-2.1 9,-2.9 -2,-0.3 2,-0.4 -0.972 38.1-107.8-139.1 160.2 -7.3 -29.5 4.8 250 254 A V E -K 257 0C 0 -2,-0.3 2,-0.5 7,-0.2 7,-0.3 -0.722 36.1-134.6 -80.9 142.7 -9.6 -26.6 4.8 251 255 A S > - 0 0 3 5,-3.0 3,-1.0 -2,-0.4 5,-0.3 -0.885 63.0 -25.7-100.9 125.7 -8.7 -24.2 7.6 252 256 A G T 3 S- 0 0 11 -2,-0.5 -30,-0.1 1,-0.2 -2,-0.1 -0.479 123.5 -26.8 76.7-144.2 -11.6 -22.8 9.6 253 257 A S T 3 S+ 0 0 16 1,-0.2 -1,-0.2 -2,-0.2 -155,-0.0 0.591 111.2 179.9 -81.0 -11.3 -15.1 -22.6 8.0 254 258 A G S < S+ 0 0 13 -3,-1.0 -79,-0.9 -156,-0.1 -1,-0.2 -0.184 80.9 170.3 88.8 177.9 -13.3 -22.3 4.7 255 259 A P S S+ 0 0 18 0, 0.0 -3,-0.1 0, 0.0 -1,-0.1 -0.971 75.8 98.7 -92.4 15.0 -12.9 -22.0 1.9 256 260 A T - 0 0 7 -5,-0.3 -5,-3.0 -6,-0.1 2,-0.4 -0.326 58.5-152.0 -63.2 131.4 -9.1 -21.5 2.6 257 261 A C E -JK 169 250C 3 -88,-2.6 -88,-2.6 -7,-0.3 2,-0.4 -0.870 6.8-160.9-106.3 138.2 -7.0 -24.6 2.1 258 262 A A E -JK 168 249C 1 -9,-2.9 -9,-2.1 -2,-0.4 2,-0.6 -0.971 5.5-162.7-117.9 128.8 -3.7 -25.4 3.8 259 263 A F E -JK 167 248C 0 -92,-3.4 -92,-2.3 -2,-0.4 2,-0.5 -0.945 9.1-147.2-116.5 118.5 -1.3 -28.0 2.4 260 264 A L E -JK 166 247C 0 -13,-1.8 -14,-2.0 -2,-0.6 -13,-1.2 -0.725 23.4-175.4 -81.4 129.7 1.4 -29.6 4.5 261 265 A C E -J 165 0C 1 -96,-3.0 -96,-0.7 -2,-0.5 -16,-0.1 -0.737 34.1-117.5-121.4 172.4 4.6 -30.4 2.5 262 266 A T S S- 0 0 69 -2,-0.2 2,-0.3 -18,-0.2 -50,-0.1 0.697 86.7 -10.8 -83.6 -22.2 7.9 -32.1 3.3 263 267 A S S > S- 0 0 43 1,-0.1 4,-2.4 -98,-0.1 5,-0.1 -0.967 73.4 -91.2-166.7 171.8 10.2 -29.1 2.6 264 268 A A H > S+ 0 0 48 -2,-0.3 4,-2.2 1,-0.2 5,-0.2 0.886 124.7 54.6 -64.1 -37.6 10.5 -25.6 1.2 265 269 A S H > S+ 0 0 91 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.924 109.7 44.5 -59.8 -49.9 11.4 -27.2 -2.1 266 270 A S H > S+ 0 0 22 2,-0.2 4,-3.2 1,-0.2 5,-0.2 0.896 110.4 56.1 -63.6 -39.7 8.3 -29.4 -2.2 267 271 A A H X S+ 0 0 2 -4,-2.4 4,-3.1 2,-0.2 -2,-0.2 0.913 107.9 47.4 -60.6 -46.1 6.1 -26.5 -1.1 268 272 A I H X S+ 0 0 105 -4,-2.2 4,-2.8 2,-0.2 5,-0.2 0.937 113.8 48.3 -57.6 -47.5 7.3 -24.3 -4.1 269 273 A D H X S+ 0 0 85 -4,-2.0 4,-2.1 2,-0.2 -2,-0.2 0.918 115.0 44.0 -63.5 -44.8 6.7 -27.2 -6.5 270 274 A V H X S+ 0 0 0 -4,-3.2 4,-2.6 2,-0.2 5,-0.2 0.933 114.4 50.3 -63.1 -47.5 3.2 -27.9 -5.1 271 275 A G H X S+ 0 0 8 -4,-3.1 4,-2.6 -5,-0.2 -2,-0.2 0.887 110.2 49.7 -57.8 -43.1 2.4 -24.2 -5.0 272 276 A A H X S+ 0 0 64 -4,-2.8 4,-2.5 2,-0.2 -1,-0.2 0.926 111.8 48.5 -64.7 -45.1 3.5 -23.7 -8.6 273 277 A Q H X S+ 0 0 100 -4,-2.1 4,-2.1 -5,-0.2 -2,-0.2 0.914 114.6 44.7 -58.8 -45.4 1.4 -26.7 -9.8 274 278 A L H X>S+ 0 0 2 -4,-2.6 5,-0.9 2,-0.2 4,-0.6 0.902 112.9 51.5 -67.3 -40.4 -1.7 -25.5 -7.9 275 279 A S H ><5S+ 0 0 74 -4,-2.6 3,-1.0 -5,-0.2 -2,-0.2 0.920 111.6 47.2 -60.2 -46.6 -1.2 -21.9 -9.2 276 280 A G H 3<5S+ 0 0 69 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.897 105.8 58.7 -61.9 -42.3 -0.9 -23.1 -12.7 277 281 A A H 3<5S- 0 0 64 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.581 96.5-142.1 -65.8 -13.1 -4.0 -25.3 -12.5 278 282 A G T <<5 + 0 0 56 -3,-1.0 -3,-0.1 -4,-0.6 -2,-0.1 0.827 57.6 133.7 51.0 40.1 -6.1 -22.3 -11.6 279 283 A V S