==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=18-MAR-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 14-FEB-12 4DQ1 . COMPND 2 MOLECULE: THYMIDYLATE SYNTHASE; . SOURCE 2 ORGANISM_SCIENTIFIC: STAPHYLOCOCCUS AUREUS; . AUTHOR J.OSIPIUK,J.HOLOWICKI,R.JEDRZEJCZAK,E.RUBIN,K.GUINN,T.IOERGE . 612 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 26739.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 435 71.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 26 4.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 82 13.4 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 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 . 53 8.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 60 9.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 191 31.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 11 1.8 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 3 2 2 3 1 0 2 1 1 0 0 2 1 2 1 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 0 0 0 0 0 0 2 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 2 4 2 0 0 0 2 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 4 0 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 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 N > 0 0 54 0, 0.0 4,-3.2 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0 165.5 28.9 -7.6 -7.9 2 4 A S H > + 0 0 53 1,-0.2 4,-1.9 2,-0.2 5,-0.1 0.821 360.0 50.4 -55.8 -35.0 30.4 -4.2 -8.0 3 5 A F H > S+ 0 0 1 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.952 115.6 39.8 -69.2 -54.0 29.7 -3.5 -4.2 4 6 A D H > S+ 0 0 1 1,-0.2 4,-3.3 2,-0.2 -2,-0.2 0.909 113.8 58.0 -59.1 -40.8 31.2 -6.7 -2.9 5 7 A A H X S+ 0 0 50 -4,-3.2 4,-2.6 2,-0.2 -2,-0.2 0.897 106.5 47.9 -56.4 -41.5 34.0 -6.2 -5.5 6 8 A A H X S+ 0 0 16 -4,-1.9 4,-1.7 -5,-0.2 -2,-0.2 0.991 114.1 44.7 -67.5 -59.3 34.8 -2.9 -4.0 7 9 A Y H X S+ 0 0 0 -4,-2.2 4,-1.9 1,-0.2 -2,-0.2 0.807 112.8 54.2 -49.6 -36.4 34.8 -4.2 -0.4 8 10 A H H X S+ 0 0 24 -4,-3.3 4,-3.7 1,-0.2 -1,-0.2 0.985 104.2 52.1 -68.3 -52.0 36.8 -7.2 -1.5 9 11 A S H X S+ 0 0 67 -4,-2.6 4,-3.9 2,-0.2 5,-0.2 0.821 107.2 54.6 -43.9 -44.0 39.6 -5.2 -3.1 10 12 A L H X S+ 0 0 0 -4,-1.7 4,-3.5 2,-0.2 5,-0.2 0.982 113.6 39.6 -60.9 -56.5 40.0 -3.2 0.0 11 13 A C H X S+ 0 0 0 -4,-1.9 4,-3.7 2,-0.2 5,-0.3 0.964 116.9 52.4 -49.3 -56.4 40.5 -6.2 2.2 12 14 A E H X S+ 0 0 100 -4,-3.7 4,-1.7 1,-0.2 -2,-0.2 0.911 113.4 42.9 -50.1 -55.3 42.6 -7.8 -0.6 13 15 A E H X>S+ 0 0 69 -4,-3.9 4,-2.1 2,-0.2 5,-0.5 0.955 114.8 48.8 -56.5 -54.5 44.8 -4.7 -0.9 14 16 A V H X5S+ 0 0 0 -4,-3.5 4,-2.5 -5,-0.2 -2,-0.2 0.944 109.7 52.9 -52.4 -50.2 45.2 -4.3 2.9 15 17 A L H <5S+ 0 0 42 -4,-3.7 -1,-0.2 -5,-0.2 -2,-0.2 0.871 117.8 38.1 -54.2 -39.2 46.0 -8.0 3.4 16 18 A E H <5S+ 0 0 169 -4,-1.7 -2,-0.2 -3,-0.3 -3,-0.2 0.993 134.9 12.5 -75.9 -71.9 48.8 -7.7 0.8 17 19 A I H <5S+ 0 0 108 -4,-2.1 -3,-0.2 -5,-0.1 -2,-0.2 0.329 93.7 116.4-100.0 7.1 50.4 -4.3 1.3 18 20 A G << - 0 0 14 -4,-2.5 2,-0.4 -5,-0.5 14,-0.2 -0.279 63.3-120.0 -69.6 162.7 49.0 -3.2 4.6 19 21 A N E -A 31 0A 42 12,-2.7 12,-1.9 0, 0.0 2,-0.2 -0.900 14.8-115.4-115.8 135.4 51.5 -2.8 7.4 20 22 A T E +A 30 0A 126 -2,-0.4 2,-0.3 10,-0.2 10,-0.2 -0.472 51.6 156.3 -56.4 124.4 51.7 -4.6 10.8 21 23 A R E -A 29 0A 15 8,-2.8 8,-2.2 -2,-0.2 2,-0.3 -0.967 41.3-114.9-148.5 167.9 51.2 -2.0 13.5 22 24 A N - 0 0 86 -2,-0.3 2,-0.3 6,-0.2 8,-0.0 -0.718 34.1-159.1 -98.6 152.9 50.0 -1.6 17.1 23 25 A D > - 0 0 7 -2,-0.3 3,-2.0 1,-0.0 457,-0.1 -0.769 35.5 -90.5-129.4 177.2 46.9 0.3 17.9 24 26 A R T 3 S+ 0 0 117 1,-0.3 456,-0.1 455,-0.3 -1,-0.0 0.780 124.3 50.8 -55.4 -31.0 45.2 2.2 20.7 25 27 A T T 3 S- 0 0 46 1,-0.0 -1,-0.3 0, 0.0 -3,-0.0 0.461 107.1-123.8 -89.1 0.8 43.4 -1.0 21.8 26 28 A N S < S+ 0 0 136 -3,-2.0 -2,-0.1 1,-0.1 -4,-0.0 0.886 82.1 113.7 54.1 40.7 46.6 -3.1 21.9 27 29 A T S S- 0 0 54 236,-0.0 236,-0.1 237,-0.0 -1,-0.1 0.665 72.1-131.3-104.7 -31.0 45.0 -5.6 19.5 28 30 A G - 0 0 13 234,-0.1 235,-2.8 235,-0.1 2,-0.3 0.305 24.0-159.0 84.1 137.7 47.3 -5.0 16.5 29 31 A T E -AB 21 262A 6 -8,-2.2 -8,-2.8 233,-0.3 2,-0.5 -0.947 22.7-126.2-138.1 162.5 46.1 -4.3 13.0 30 32 A I E -AB 20 261A 27 231,-2.1 231,-2.4 -2,-0.3 2,-0.4 -0.989 46.3-175.6-105.5 128.5 47.3 -4.5 9.5 31 33 A S E -AB 19 260A 0 -12,-1.9 -12,-2.7 -2,-0.5 2,-0.3 -0.944 29.5-164.8-134.3 140.9 46.7 -1.0 8.1 32 34 A K E - B 0 259A 23 227,-2.5 227,-1.9 -2,-0.4 2,-0.6 -0.916 20.7-142.3-112.8 149.4 46.8 1.1 4.9 33 35 A F E S+ B 0 258A 11 -2,-0.3 225,-0.2 225,-0.2 224,-0.1 -0.935 70.3 23.1-118.2 113.9 46.6 4.8 5.1 34 36 A G E + 0 0 0 223,-2.2 2,-0.3 -2,-0.6 223,-0.2 0.560 65.8 153.8 103.2 112.6 44.6 6.4 2.3 35 37 A H E - B 0 256A 15 221,-1.1 221,-2.3 -3,-0.1 2,-0.4 -0.980 23.2-156.5-163.8 156.5 42.0 4.8 0.1 36 38 A Q E - B 0 255A 39 -2,-0.3 2,-0.3 219,-0.2 219,-0.2 -0.986 10.0-179.1-147.9 127.2 38.9 5.5 -1.9 37 39 A L E - B 0 254A 11 217,-2.6 217,-3.6 -2,-0.4 2,-0.3 -0.915 11.3-152.0-123.4 148.4 36.0 3.3 -2.9 38 40 A R E - B 0 253A 71 -2,-0.3 2,-0.4 215,-0.2 215,-0.2 -0.936 6.5-168.3-119.7 151.7 33.0 4.1 -5.0 39 41 A F E - B 0 252A 1 213,-2.0 213,-3.2 -2,-0.3 2,-0.8 -0.950 15.9-145.5-139.0 112.6 29.5 2.6 -5.0 40 42 A D E > - B 0 251A 44 -2,-0.4 3,-0.9 211,-0.2 211,-0.2 -0.696 10.4-164.5 -75.3 109.2 27.1 3.4 -7.8 41 43 A L G > S+ 0 0 6 209,-2.1 3,-0.8 -2,-0.8 -1,-0.2 0.610 81.5 70.7 -76.4 -8.4 23.7 3.5 -6.0 42 44 A S G 3 S+ 0 0 86 208,-0.4 -1,-0.2 1,-0.2 3,-0.1 0.840 91.9 60.8 -72.4 -28.7 21.8 3.3 -9.3 43 45 A K G < S- 0 0 125 -3,-0.9 2,-0.3 1,-0.2 -1,-0.2 0.549 125.6 -77.1 -69.7 -9.6 22.9 -0.4 -9.5 44 46 A G < - 0 0 8 -3,-0.8 238,-0.2 -4,-0.2 -1,-0.2 -0.898 63.1 -50.9 136.2-172.8 21.2 -1.2 -6.2 45 47 A F - 0 0 0 236,-3.1 2,-2.1 -2,-0.3 187,-0.1 -0.910 49.3-125.3-110.8 129.7 21.7 -0.8 -2.5 46 48 A P + 0 0 0 0, 0.0 2,-0.7 0, 0.0 189,-0.1 -0.359 51.3 143.6 -83.4 65.6 25.1 -1.8 -1.0 47 49 A L - 0 0 1 -2,-2.1 -43,-0.1 184,-0.1 -44,-0.1 -0.908 61.8-110.4 -86.2 125.6 24.3 -4.2 1.8 48 50 A L - 0 0 0 -2,-0.7 5,-0.4 180,-0.2 -1,-0.0 -0.126 29.5-165.4 -51.1 150.5 27.2 -6.6 1.4 49 51 A T S S+ 0 0 0 3,-0.1 258,-2.4 257,-0.1 3,-0.1 0.501 80.4 69.1-118.4 -9.3 26.2 -10.1 0.1 50 52 A T S S+ 0 0 0 1,-0.3 2,-0.3 256,-0.2 225,-0.1 0.556 118.2 20.8 -83.3 -5.2 29.3 -12.1 1.0 51 53 A K S S- 0 0 17 256,-0.1 -1,-0.3 224,-0.0 258,-0.2 -0.924 95.1-106.1-158.8 130.6 28.3 -11.6 4.6 52 54 A K - 0 0 126 255,-0.7 2,-0.4 -2,-0.3 258,-0.3 -0.394 33.5-165.7 -62.1 132.4 24.8 -10.8 6.0 53 55 A V - 0 0 10 -5,-0.4 2,-1.2 -2,-0.1 3,-0.1 -0.957 23.6-119.9-120.1 140.4 24.5 -7.2 7.2 54 56 A S >> - 0 0 49 -2,-0.4 4,-2.0 1,-0.2 3,-0.6 -0.667 21.9-173.3 -87.5 95.6 21.5 -6.1 9.3 55 57 A F H 3> S+ 0 0 19 -2,-1.2 4,-3.1 1,-0.2 5,-0.5 0.937 87.3 61.8 -48.8 -42.7 19.6 -3.4 7.5 56 58 A K H 3> S+ 0 0 75 1,-0.2 4,-2.0 2,-0.2 5,-0.3 0.898 105.4 43.8 -50.0 -47.0 17.5 -3.2 10.8 57 59 A L H <> S+ 0 0 50 -3,-0.6 4,-2.3 2,-0.2 -1,-0.2 0.979 117.2 47.0 -66.0 -51.1 20.6 -2.2 12.9 58 60 A V H X S+ 0 0 0 -4,-2.0 4,-2.5 1,-0.2 -2,-0.2 0.919 116.1 40.6 -48.7 -62.6 21.8 0.3 10.2 59 61 A A H X S+ 0 0 0 -4,-3.1 4,-2.9 1,-0.2 5,-0.3 0.887 114.8 50.3 -67.8 -38.7 18.6 2.1 9.5 60 62 A T H X S+ 0 0 0 -4,-2.0 4,-1.6 -5,-0.5 -1,-0.2 0.887 112.0 48.2 -71.6 -33.4 17.4 2.3 13.0 61 63 A E H X S+ 0 0 20 -4,-2.3 4,-2.5 -5,-0.3 -2,-0.2 0.983 114.4 46.7 -61.9 -51.0 20.7 3.7 14.2 62 64 A L H X S+ 0 0 3 -4,-2.5 4,-3.1 1,-0.2 5,-0.3 0.903 111.3 48.8 -61.6 -49.1 20.7 6.3 11.4 63 65 A L H X S+ 0 0 0 -4,-2.9 4,-2.1 1,-0.2 -1,-0.2 0.903 111.6 52.3 -58.5 -39.2 17.0 7.4 11.8 64 66 A W H X>S+ 0 0 5 -4,-1.6 5,-1.9 -5,-0.3 4,-0.5 0.899 111.0 46.5 -59.7 -47.7 17.7 7.8 15.5 65 67 A F H ><5S+ 0 0 9 -4,-2.5 3,-1.7 1,-0.2 -2,-0.2 0.970 115.2 45.4 -57.9 -59.3 20.8 10.0 14.8 66 68 A I H 3<5S+ 0 0 0 -4,-3.1 -2,-0.2 1,-0.3 -1,-0.2 0.769 109.8 54.6 -66.0 -22.9 19.0 12.2 12.3 67 69 A K H 3<5S- 0 0 64 -4,-2.1 -1,-0.3 -5,-0.3 -2,-0.2 0.591 108.3-122.8 -81.7 -11.2 15.9 12.6 14.4 68 70 A G T <<5 + 0 0 46 -3,-1.7 2,-0.6 -4,-0.5 -3,-0.2 0.798 53.8 157.3 73.5 28.1 18.0 13.9 17.4 69 71 A D < - 0 0 65 -5,-1.9 -1,-0.2 -6,-0.2 79,-0.1 -0.789 24.0-174.5 -87.7 121.1 16.8 11.2 19.8 70 72 A T + 0 0 54 -2,-0.6 73,-2.0 78,-0.1 2,-0.5 0.503 54.6 97.5 -86.5 -4.9 19.2 10.8 22.6 71 73 A N B >> -F 142 0B 20 71,-0.2 3,-1.2 1,-0.1 4,-0.5 -0.754 59.0-154.4-105.0 126.9 17.3 7.8 24.2 72 74 A I H 3> S+ 0 0 1 69,-3.0 4,-2.8 -2,-0.5 5,-0.2 0.519 80.7 87.7 -76.3 0.1 18.1 4.1 23.7 73 75 A Q H 3> S+ 0 0 36 1,-0.2 4,-1.1 2,-0.2 -1,-0.3 0.927 89.8 53.6 -58.1 -40.0 14.6 2.9 24.4 74 76 A Y H X4 S+ 0 0 34 -3,-1.2 3,-1.1 1,-0.2 4,-0.5 0.958 108.9 47.2 -56.3 -52.4 14.0 3.5 20.7 75 77 A L H ><>S+ 0 0 0 -4,-0.5 5,-2.1 1,-0.3 3,-2.0 0.931 108.1 55.9 -57.5 -48.0 17.0 1.4 19.8 76 78 A L H ><5S+ 0 0 10 -4,-2.8 3,-0.9 1,-0.3 -1,-0.3 0.692 95.6 65.5 -59.1 -22.0 15.9 -1.4 22.1 77 79 A K T <<5S+ 0 0 138 -3,-1.1 -1,-0.3 -4,-1.1 -2,-0.2 0.650 109.0 40.7 -75.1 -13.7 12.5 -1.7 20.4 78 80 A Y T < 5S- 0 0 33 -3,-2.0 -1,-0.3 -4,-0.5 -2,-0.2 0.312 120.5-107.5-116.8 8.6 14.3 -2.9 17.4 79 81 A N T < 5 + 0 0 88 -3,-0.9 2,-0.8 1,-0.2 -3,-0.2 0.869 66.9 152.6 62.8 42.0 16.8 -5.1 19.2 80 82 A N < + 0 0 0 -5,-2.1 3,-0.4 -8,-0.1 -1,-0.2 -0.847 14.7 170.7-102.1 102.9 19.5 -2.6 18.5 81 83 A N > + 0 0 63 -2,-0.8 3,-1.8 1,-0.2 4,-0.2 0.318 36.1 120.1-101.4 10.1 22.0 -3.1 21.3 82 84 A I T 3 S+ 0 0 71 1,-0.3 3,-0.3 2,-0.1 -1,-0.2 0.796 85.7 31.9 -40.5 -38.2 24.8 -0.9 19.9 83 85 A W T 3> S+ 0 0 39 -3,-0.4 4,-0.7 1,-0.2 -1,-0.3 -0.144 83.4 108.5-121.8 37.8 24.7 1.4 22.9 84 86 A N H <> S+ 0 0 13 -3,-1.8 4,-1.2 2,-0.2 -1,-0.2 0.534 70.3 62.5 -93.9 -8.5 23.7 -0.8 25.8 85 87 A E H > S+ 0 0 121 -3,-0.3 4,-2.5 -4,-0.2 5,-0.2 0.941 101.4 49.0 -83.8 -47.0 27.0 -0.9 27.6 86 88 A W H > S+ 0 0 78 1,-0.2 4,-1.6 2,-0.2 -2,-0.2 0.860 112.9 50.4 -58.6 -36.0 27.2 2.9 28.3 87 89 A A H X S+ 0 0 2 -4,-0.7 4,-1.9 2,-0.2 -1,-0.2 0.884 108.9 48.8 -73.7 -38.6 23.7 2.8 29.7 88 90 A F H X S+ 0 0 0 -4,-1.2 4,-2.8 1,-0.2 -2,-0.2 0.913 107.9 56.7 -65.4 -40.5 24.3 -0.2 32.0 89 91 A E H < S+ 0 0 83 -4,-2.5 -2,-0.2 2,-0.2 -1,-0.2 0.908 108.7 44.7 -60.1 -45.4 27.4 1.4 33.4 90 92 A N H >X S+ 0 0 84 -4,-1.6 3,-1.9 1,-0.2 4,-1.4 0.983 114.8 49.3 -59.7 -57.3 25.7 4.6 34.5 91 93 A Y H >< S+ 0 0 15 -4,-1.9 3,-1.0 1,-0.3 -2,-0.2 0.908 105.5 54.9 -44.8 -59.1 22.8 2.7 36.0 92 94 A I T 3< S+ 0 0 23 -4,-2.8 10,-0.4 1,-0.3 -1,-0.3 0.362 108.3 51.5 -67.2 6.6 24.9 0.2 38.1 93 95 A K T <4 S+ 0 0 156 -3,-1.9 -1,-0.3 -4,-0.2 -2,-0.2 0.653 91.0 94.4-105.0 -36.3 26.6 3.2 39.7 94 96 A S S X< S- 0 0 29 -4,-1.4 3,-1.1 -3,-1.0 -3,-0.0 -0.186 85.1-119.2 -55.0 151.6 23.4 4.9 40.7 95 97 A D T 3 S+ 0 0 155 1,-0.3 -1,-0.1 3,-0.1 -3,-0.1 0.590 106.9 65.8 -76.7 -17.2 22.0 4.2 44.2 96 98 A E T 3 S+ 0 0 88 -5,-0.1 2,-0.7 2,-0.0 -1,-0.3 -0.047 73.6 105.1 -94.1 23.0 18.7 2.7 43.0 97 99 A Y < + 0 0 21 -3,-1.1 2,-0.4 -6,-0.1 -5,-0.0 -0.952 46.9 178.2 -94.7 107.9 20.6 -0.2 41.5 98 100 A N + 0 0 152 -2,-0.7 -3,-0.1 3,-0.0 3,-0.0 -0.594 44.3 94.7-111.1 62.4 19.8 -3.1 43.9 99 101 A G S S- 0 0 23 -2,-0.4 3,-0.1 1,-0.1 -2,-0.1 -0.783 87.8 -57.6-130.7-179.2 21.6 -5.9 42.3 100 102 A P S S- 0 0 51 0, 0.0 2,-0.1 0, 0.0 -1,-0.1 -0.211 72.6 -78.7 -63.3 150.9 25.2 -7.3 42.8 101 103 A D - 0 0 132 1,-0.2 -8,-0.1 -3,-0.0 -3,-0.0 -0.334 46.0-177.2 -59.1 113.8 28.1 -5.0 42.4 102 104 A M > + 0 0 1 -10,-0.4 3,-0.7 -3,-0.1 -1,-0.2 -0.070 24.4 159.1-100.0 25.2 28.5 -4.8 38.6 103 105 A T T 3 - 0 0 94 1,-0.2 5,-0.1 -11,-0.1 -10,-0.0 -0.310 69.2 -16.7 -59.0 126.1 31.6 -2.6 39.1 104 106 A D T 3 S+ 0 0 115 -15,-0.1 4,-0.3 1,-0.1 -1,-0.2 0.885 90.4 173.7 33.9 73.0 33.9 -2.7 36.1 105 107 A F < + 0 0 31 -3,-0.7 2,-1.1 2,-0.1 -1,-0.1 -0.260 42.6 64.0 -85.1 179.8 32.4 -5.8 34.5 106 108 A G S > S+ 0 0 27 1,-0.3 4,-1.9 -2,-0.1 5,-0.2 -0.513 107.4 46.1 101.2 -67.1 33.3 -7.3 31.0 107 109 A H H > S+ 0 0 142 -2,-1.1 4,-2.4 2,-0.2 -1,-0.3 0.914 121.4 44.9 -59.5 -44.6 36.9 -8.1 31.6 108 110 A R H > S+ 0 0 97 -4,-0.3 4,-2.2 2,-0.2 8,-0.2 0.685 108.1 55.9 -74.5 -22.6 35.2 -9.5 34.8 109 111 A A H 4 S+ 0 0 6 2,-0.2 7,-0.3 6,-0.1 -1,-0.2 0.902 112.0 42.2 -76.4 -44.3 32.3 -11.2 32.9 110 112 A L H < S+ 0 0 155 -4,-1.9 -2,-0.2 1,-0.1 -3,-0.1 0.965 117.2 52.2 -56.4 -56.5 34.7 -13.2 30.7 111 113 A S H < S+ 0 0 83 -4,-2.4 -2,-0.2 -5,-0.2 -3,-0.2 0.922 113.2 37.7 -39.3 -64.4 36.8 -13.8 33.8 112 114 A D X - 0 0 51 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0.828 80.9 58.0 -60.3 -37.1 37.8 15.9 21.1 192 194 A D T 34 S+ 0 0 116 -4,-0.5 -1,-0.2 1,-0.2 -2,-0.1 0.761 115.0 33.5 -71.2 -28.7 40.0 15.7 24.2 193 195 A T T <4 S+ 0 0 118 -3,-0.7 -2,-0.2 -4,-0.0 -1,-0.2 0.862 92.0 104.0 -92.1 -40.8 37.1 14.9 26.6 194 196 A M S < S- 0 0 53 -4,-2.1 -49,-0.0 1,-0.1 -4,-0.0 0.023 70.7-122.3 -59.2 148.2 34.6 12.8 24.7 195 197 A A S S+ 0 0 48 1,-0.2 -1,-0.1 2,-0.0 -4,-0.0 0.962 96.6 6.0 -39.8 -76.6 34.0 9.1 25.0 196 198 A L S S- 0 0 92 -51,-0.1 -1,-0.2 0, 0.0 3,-0.1 -0.772 78.0-134.8-126.8 91.4 34.7 8.0 21.3 197 199 A P - 0 0 5 0, 0.0 -11,-0.1 0, 0.0 4,-0.1 -0.113 42.7 -93.3 -46.6 129.4 35.9 10.7 18.9 198 200 A P - 0 0 11 0, 0.0 21,-0.1 0, 0.0 3,-0.1 -0.147 27.8-160.7 -49.3 130.2 33.8 10.4 15.6 199 201 A C S S+ 0 0 38 1,-0.2 20,-1.9 -3,-0.1 2,-1.4 0.702 86.8 67.4 -75.1 -29.4 35.4 8.2 13.0 200 202 A H E + D 0 218A 14 18,-0.2 18,-0.2 1,-0.2 -15,-0.2 -0.664 67.7 173.7 -92.9 80.5 33.2 9.8 10.3 201 203 A T E - 0 0 0 -2,-1.4 -16,-2.8 16,-0.7 -15,-0.8 0.863 55.9 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