==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LIGASE 31-AUG-09 3IVC . COMPND 2 MOLECULE: PANTOTHENATE SYNTHETASE; . SOURCE 2 ORGANISM_SCIENTIFIC: MYCOBACTERIUM TUBERCULOSIS; . AUTHOR H.L.SILVESTRE,A.W.HUNG,S.WEN,A.CIULLI,T.L.BLUNDELL,C.ABELL . 576 6 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 23477.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 392 68.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 50 8.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 53 9.2 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 . 5 0.9 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 . 2 0.3 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 . 43 7.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 69 12.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 163 28.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 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 2 0 2 1 0 0 1 2 2 5 1 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 2 4 0 2 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 PARALLEL BRIDGES PER LADDER . 3 0 1 0 0 0 0 2 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 1 1 1 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 1 A M 0 0 207 0, 0.0 25,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 88.8 -10.6 19.5 22.2 2 2 A A + 0 0 75 1,-0.2 20,-0.1 2,-0.0 21,-0.1 0.390 360.0 161.6 124.5 15.2 -7.1 20.9 22.9 3 3 A I - 0 0 74 19,-0.1 -1,-0.2 1,-0.1 3,-0.1 -0.280 35.2-132.8 -75.0 136.5 -6.1 21.7 19.3 4 4 A P - 0 0 24 0, 0.0 -1,-0.1 0, 0.0 10,-0.0 -0.325 55.3 -64.5 -64.3 163.9 -3.3 24.2 18.4 5 5 A A - 0 0 71 -2,-0.1 2,-0.3 1,-0.0 18,-0.1 -0.277 61.6-176.3 -44.2 137.1 -4.0 26.8 15.8 6 6 A F - 0 0 42 -3,-0.1 94,-0.1 2,-0.0 5,-0.1 -0.885 12.8-165.4-143.7 116.5 -4.7 25.0 12.5 7 7 A H > - 0 0 90 -2,-0.3 3,-1.7 92,-0.2 -2,-0.0 -0.904 20.3-138.4-103.8 106.8 -5.4 26.9 9.3 8 8 A P T 3 S+ 0 0 91 0, 0.0 3,-0.1 0, 0.0 -2,-0.0 -0.229 89.2 22.0 -61.5 152.7 -6.9 24.5 6.6 9 9 A G T 3 S+ 0 0 68 1,-0.2 2,-0.3 88,-0.1 88,-0.1 0.359 112.2 94.2 65.0 -9.1 -5.5 25.1 3.1 10 10 A E S < S- 0 0 113 -3,-1.7 2,-0.6 89,-0.1 -1,-0.2 -0.791 86.7-104.3-106.4 160.7 -2.4 26.7 4.8 11 11 A L - 0 0 18 -2,-0.3 2,-0.5 -3,-0.1 89,-0.2 -0.671 36.8-163.1 -75.1 118.5 1.0 25.1 5.7 12 12 A N E -a 100 0A 10 87,-3.4 89,-2.9 -2,-0.6 2,-0.5 -0.932 2.6-155.6-107.8 126.2 0.9 24.7 9.5 13 13 A V E +a 101 0A 63 -2,-0.5 2,-0.4 87,-0.2 89,-0.2 -0.914 14.5 177.9-109.3 123.0 4.3 24.2 11.2 14 14 A Y E +a 102 0A 18 87,-3.0 89,-2.5 -2,-0.5 -2,-0.0 -0.984 20.2 177.7-124.4 133.7 4.6 22.4 14.5 15 15 A S + 0 0 57 -2,-0.4 90,-0.3 87,-0.2 -1,-0.1 0.719 63.3 88.0 -96.9 -30.7 7.7 21.6 16.5 16 16 A A >> - 0 0 40 1,-0.2 4,-1.8 88,-0.1 3,-0.5 -0.552 67.9-148.7 -79.3 123.3 5.9 20.1 19.5 17 17 A P H 3> S+ 0 0 21 0, 0.0 4,-2.7 0, 0.0 3,-0.2 0.925 100.1 55.7 -49.5 -43.5 5.2 16.4 19.2 18 18 A G H 3> S+ 0 0 42 1,-0.2 4,-1.9 2,-0.2 5,-0.2 0.832 105.4 52.0 -59.7 -37.8 2.1 16.9 21.3 19 19 A D H <> S+ 0 0 63 -3,-0.5 4,-2.1 2,-0.2 -1,-0.2 0.874 112.2 41.9 -66.6 -45.8 0.8 19.6 19.0 20 20 A V H X S+ 0 0 0 -4,-1.8 4,-3.1 -3,-0.2 5,-0.2 0.870 113.2 56.1 -73.5 -32.2 1.0 17.5 15.8 21 21 A A H X S+ 0 0 17 -4,-2.7 4,-1.5 -5,-0.3 -2,-0.2 0.872 111.4 42.7 -62.6 -38.9 -0.3 14.5 17.7 22 22 A D H X S+ 0 0 35 -4,-1.9 4,-2.1 2,-0.2 -2,-0.2 0.855 116.3 47.6 -77.0 -41.1 -3.5 16.5 18.7 23 23 A V H X S+ 0 0 1 -4,-2.1 4,-3.0 2,-0.2 5,-0.2 0.948 112.0 49.7 -60.4 -49.2 -3.9 18.0 15.3 24 24 A S H X S+ 0 0 0 -4,-3.1 4,-2.3 1,-0.2 -2,-0.2 0.897 111.9 49.8 -56.6 -39.0 -3.5 14.7 13.6 25 25 A R H X S+ 0 0 76 -4,-1.5 4,-1.9 2,-0.2 -1,-0.2 0.919 110.7 47.5 -67.7 -48.8 -6.1 13.1 15.9 26 26 A A H X S+ 0 0 29 -4,-2.1 4,-1.2 2,-0.2 -2,-0.2 0.921 112.3 50.6 -56.2 -50.9 -8.6 15.9 15.3 27 27 A L H <>S+ 0 0 15 -4,-3.0 5,-1.8 1,-0.2 3,-0.3 0.891 109.2 51.7 -56.8 -38.6 -8.1 15.6 11.6 28 28 A R H ><5S+ 0 0 69 -4,-2.3 3,-1.5 1,-0.2 -1,-0.2 0.854 104.3 57.1 -63.1 -39.5 -8.6 11.8 11.8 29 29 A L H 3<5S+ 0 0 124 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.809 101.0 56.3 -63.6 -28.6 -11.9 12.2 13.7 30 30 A T T 3<5S- 0 0 99 -4,-1.2 -1,-0.3 -3,-0.3 -2,-0.2 0.330 124.1-107.7 -81.6 4.2 -13.3 14.3 10.8 31 31 A G T < 5S+ 0 0 56 -3,-1.5 -3,-0.2 1,-0.3 2,-0.2 0.599 70.9 144.4 77.5 14.3 -12.5 11.3 8.6 32 32 A R < - 0 0 69 -5,-1.8 2,-0.6 28,-0.0 -1,-0.3 -0.557 51.7-123.4 -75.9 147.7 -9.5 12.7 6.8 33 33 A R E -b 60 0A 51 26,-2.6 28,-2.3 -2,-0.2 2,-0.5 -0.886 23.3-139.8 -97.5 119.5 -6.8 10.1 6.0 34 34 A V E -b 61 0A 0 -2,-0.6 119,-2.3 117,-0.2 120,-1.1 -0.658 17.5-165.1 -87.9 123.8 -3.5 11.3 7.4 35 35 A M E -bc 62 154A 0 26,-2.8 28,-3.1 -2,-0.5 2,-0.5 -0.917 3.9-152.7-111.8 139.4 -0.5 10.7 5.2 36 36 A L E -bc 63 155A 0 118,-2.2 120,-2.6 -2,-0.4 28,-0.2 -0.952 15.0-177.6-118.2 128.7 3.1 10.9 6.4 37 37 A V E -b 64 0A 0 26,-2.4 28,-1.4 -2,-0.5 2,-0.4 -0.895 18.8-157.5-116.4 91.4 6.2 11.8 4.4 38 38 A P E +b 65 0A 2 0, 0.0 2,-0.3 0, 0.0 28,-0.1 -0.595 25.0 161.0 -74.3 125.3 9.2 11.4 6.8 39 39 A T E -b 66 0A 3 26,-1.5 28,-1.7 -2,-0.4 3,-0.1 -0.922 49.8-137.4-138.4 165.5 12.2 13.5 5.6 40 40 A M - 0 0 5 1,-0.5 26,-0.1 -2,-0.3 28,-0.1 0.008 59.8-115.2-105.9 22.0 15.4 15.0 6.7 41 41 A G S S+ 0 0 1 24,-0.4 -1,-0.5 1,-0.1 3,-0.1 -0.363 82.2 109.7 81.2-158.6 14.7 18.2 4.8 42 42 A A - 0 0 0 1,-0.2 -1,-0.1 -3,-0.1 -2,-0.1 0.955 68.2-152.6 42.5 64.1 16.7 19.6 1.8 43 43 A L + 0 0 8 42,-0.3 2,-0.2 3,-0.1 -1,-0.2 -0.296 23.8 172.3 -77.6 142.1 13.7 18.7 -0.3 44 44 A H >> - 0 0 25 -3,-0.1 4,-1.9 535,-0.1 3,-0.9 -0.742 53.7 -74.3-131.8-172.0 13.9 17.8 -4.0 45 45 A E H 3> S+ 0 0 74 1,-0.3 4,-2.9 -2,-0.2 5,-0.1 0.786 126.1 61.6 -61.0 -31.4 11.7 16.5 -6.7 46 46 A G H 3> S+ 0 0 0 2,-0.2 4,-1.7 1,-0.2 -1,-0.3 0.900 105.4 45.7 -54.6 -49.1 11.8 13.0 -5.2 47 47 A H H <> S+ 0 0 1 -3,-0.9 4,-2.4 2,-0.2 -2,-0.2 0.899 110.9 54.5 -62.4 -40.7 10.3 14.2 -1.9 48 48 A L H X S+ 0 0 6 -4,-1.9 4,-3.3 2,-0.2 5,-0.2 0.927 104.1 53.5 -60.9 -44.3 7.7 16.1 -4.0 49 49 A A H X S+ 0 0 21 -4,-2.9 4,-2.8 1,-0.2 -1,-0.2 0.928 109.3 50.2 -56.3 -39.4 6.8 12.9 -5.8 50 50 A L H X S+ 0 0 2 -4,-1.7 4,-1.9 2,-0.2 -2,-0.2 0.917 112.1 46.5 -61.0 -43.8 6.2 11.4 -2.3 51 51 A V H X S+ 0 0 1 -4,-2.4 4,-3.2 2,-0.2 -2,-0.2 0.891 112.6 50.4 -64.7 -42.7 4.0 14.4 -1.3 52 52 A R H X S+ 0 0 86 -4,-3.3 4,-1.8 2,-0.2 -2,-0.2 0.889 108.6 51.4 -65.7 -40.4 2.1 14.1 -4.7 53 53 A A H < S+ 0 0 13 -4,-2.8 4,-0.4 -5,-0.2 -1,-0.2 0.912 113.6 45.2 -58.1 -45.1 1.5 10.3 -4.1 54 54 A A H >< S+ 0 0 0 -4,-1.9 3,-1.4 1,-0.2 -2,-0.2 0.914 109.7 55.6 -64.6 -45.5 0.2 11.2 -0.6 55 55 A K H 3< S+ 0 0 88 -4,-3.2 5,-0.3 1,-0.2 -1,-0.2 0.853 96.0 66.7 -55.6 -37.5 -1.9 14.1 -2.1 56 56 A R T 3< S+ 0 0 181 -4,-1.8 -1,-0.2 -5,-0.1 -2,-0.2 0.640 77.0 96.7 -62.4 -18.0 -3.7 11.7 -4.5 57 57 A V S X S- 0 0 14 -3,-1.4 3,-1.8 -4,-0.4 -24,-0.1 -0.625 86.1-115.2 -75.8 123.9 -5.4 9.8 -1.8 58 58 A P T 3 S+ 0 0 117 0, 0.0 3,-0.1 0, 0.0 -25,-0.1 -0.348 100.7 17.7 -64.4 138.7 -9.0 11.2 -1.4 59 59 A G T 3 S+ 0 0 40 1,-0.2 -26,-2.6 -27,-0.1 2,-0.1 0.573 94.3 156.1 79.8 10.2 -9.5 12.8 2.0 60 60 A S E < -b 33 0A 13 -3,-1.8 2,-0.4 -5,-0.3 -1,-0.2 -0.413 28.9-171.3 -74.3 138.6 -5.7 13.0 2.5 61 61 A V E -b 34 0A 0 -28,-2.3 -26,-2.8 -2,-0.1 2,-0.5 -0.998 23.8-137.8-117.5 135.1 -4.1 15.5 4.8 62 62 A V E -b 35 0A 5 -2,-0.4 38,-2.1 35,-0.2 37,-0.6 -0.804 18.5-171.8-102.5 127.1 -0.4 15.5 4.3 63 63 A V E -bd 36 100A 0 -28,-3.1 -26,-2.4 -2,-0.5 2,-0.5 -0.980 4.6-170.1-105.9 122.5 2.2 15.7 7.2 64 64 A V E -bd 37 101A 1 36,-2.6 38,-2.2 -2,-0.5 2,-0.3 -0.957 9.5-156.1-107.4 118.7 5.8 16.1 6.1 65 65 A S E -bd 38 102A 0 -28,-1.4 -26,-1.5 -2,-0.5 2,-0.4 -0.742 6.6-166.5 -94.1 149.5 8.2 15.7 9.0 66 66 A I E +b 39 0A 27 36,-2.8 2,-0.3 -2,-0.3 -26,-0.2 -0.926 27.0 140.5-133.0 115.0 11.7 17.3 8.8 67 67 A F - 0 0 13 -28,-1.7 2,-1.0 -2,-0.4 -26,-0.1 -0.936 43.0-145.1-161.8 117.5 14.2 16.0 11.4 68 68 A V - 0 0 26 -2,-0.3 -28,-0.1 -28,-0.1 5,-0.1 -0.834 31.2-142.0 -90.3 101.3 17.9 15.4 10.9 69 69 A N > - 0 0 1 -2,-1.0 3,-1.6 1,-0.2 69,-0.0 -0.614 12.9-160.3 -77.1 113.5 18.1 12.5 13.2 70 70 A P G > S+ 0 0 42 0, 0.0 3,-2.4 0, 0.0 -1,-0.2 0.815 86.7 72.8 -65.9 -20.9 21.4 12.6 15.1 71 71 A M G 3 S+ 0 0 59 1,-0.3 67,-0.2 67,-0.1 68,-0.1 0.345 95.7 52.5 -78.6 10.0 21.0 8.9 15.9 72 72 A Q G < S+ 0 0 12 -3,-1.6 -1,-0.3 66,-0.2 2,-0.3 -0.014 103.0 108.2-122.6 21.9 21.8 8.2 12.2 73 73 A F < - 0 0 53 -3,-2.4 6,-0.1 2,-0.1 2,-0.1 -0.953 58.0 -33.8-144.9 158.4 25.0 10.4 12.4 74 74 A G + 0 0 27 4,-0.6 5,-0.2 -2,-0.3 3,-0.1 0.215 65.6 79.1-123.2 -95.8 28.0 10.5 12.5 75 75 A A S S+ 0 0 108 1,-0.2 -2,-0.1 3,-0.1 0, 0.0 0.287 114.7 7.5 -30.6 113.2 31.4 8.9 13.5 76 76 A G S S+ 0 0 60 56,-0.0 -1,-0.2 55,-0.0 2,-0.1 0.187 130.6 30.7-143.9 119.2 31.7 6.9 11.5 77 77 A G S S+ 0 0 22 55,-0.1 2,-0.0 -3,-0.1 -4,-0.0 0.570 102.0 27.8-114.4-160.0 29.6 7.3 9.5 78 78 A D + 0 0 20 -5,-0.1 -4,-0.6 -2,-0.1 -3,-0.1 0.307 60.6 177.9-106.5 149.2 28.0 9.1 8.2 79 79 A L + 0 0 132 -5,-0.2 2,-0.3 -6,-0.1 -4,-0.1 0.192 36.7 109.1-100.6 9.3 30.2 12.2 8.5 80 80 A D - 0 0 33 -6,-0.0 2,-1.0 3,-0.0 -6,-0.0 -0.705 69.3-126.3 -95.8 138.6 28.4 15.0 6.7 81 81 A A - 0 0 87 -2,-0.3 3,-0.1 1,-0.0 -2,-0.1 -0.760 51.0-127.0 -70.7 106.3 26.8 18.1 8.0 82 82 A Y - 0 0 7 -2,-1.0 -40,-0.1 1,-0.2 -14,-0.0 -0.273 28.1 -88.3 -66.9 143.2 23.6 17.2 6.1 83 83 A P - 0 0 15 0, 0.0 2,-0.5 0, 0.0 -1,-0.2 -0.279 44.5-166.4 -58.8 138.4 22.2 19.9 3.8 84 84 A R + 0 0 157 -3,-0.1 -43,-0.1 -43,-0.1 -3,-0.0 -0.979 25.7 153.1-128.8 119.3 19.7 22.2 5.7 85 85 A T > + 0 0 31 -2,-0.5 4,-2.6 1,-0.1 -42,-0.3 -0.570 8.8 163.5-138.6 66.1 17.5 24.5 3.7 86 86 A P H > S+ 0 0 77 0, 0.0 4,-2.1 0, 0.0 5,-0.2 0.879 73.3 51.6 -65.6 -34.4 14.5 24.9 6.1 87 87 A D H > S+ 0 0 126 2,-0.2 4,-2.1 1,-0.2 5,-0.1 0.915 113.7 40.3 -62.8 -56.2 13.1 28.1 4.2 88 88 A D H > S+ 0 0 102 2,-0.2 4,-3.0 1,-0.2 5,-0.2 0.901 112.2 60.9 -60.4 -40.6 13.1 26.6 0.7 89 89 A D H X S+ 0 0 3 -4,-2.6 4,-2.0 1,-0.2 -2,-0.2 0.926 108.6 39.9 -50.7 -53.3 11.8 23.4 2.2 90 90 A L H X S+ 0 0 38 -4,-2.1 4,-2.9 1,-0.2 -1,-0.2 0.855 112.6 56.0 -72.3 -33.0 8.6 25.0 3.6 91 91 A A H X S+ 0 0 50 -4,-2.1 4,-2.2 2,-0.2 -2,-0.2 0.910 108.6 48.7 -67.4 -35.0 8.2 27.1 0.5 92 92 A Q H X S+ 0 0 56 -4,-3.0 4,-1.1 2,-0.2 -2,-0.2 0.914 111.7 49.1 -64.4 -42.7 8.2 23.9 -1.6 93 93 A L H <>S+ 0 0 0 -4,-2.0 5,-2.1 -5,-0.2 3,-0.4 0.927 110.0 51.5 -63.6 -46.8 5.7 22.4 0.8 94 94 A R H ><5S+ 0 0 136 -4,-2.9 3,-2.5 1,-0.2 -2,-0.2 0.949 107.6 51.9 -46.3 -52.9 3.5 25.5 0.5 95 95 A A H 3<5S+ 0 0 84 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.769 109.5 51.2 -63.6 -24.6 3.5 25.3 -3.2 96 96 A E T 3<5S- 0 0 40 -4,-1.1 -1,-0.3 -3,-0.4 -2,-0.2 0.378 114.8-115.7 -94.6 0.4 2.4 21.7 -3.1 97 97 A G T < 5 + 0 0 36 -3,-2.5 2,-0.3 1,-0.2 -35,-0.2 0.710 54.4 162.7 71.6 18.9 -0.5 22.4 -0.8 98 98 A V < - 0 0 2 -5,-2.1 -1,-0.2 -6,-0.1 -35,-0.1 -0.554 22.8-163.6 -64.8 133.6 0.9 20.4 2.2 99 99 A E + 0 0 19 -37,-0.6 -87,-3.4 -2,-0.3 2,-0.4 0.742 65.9 49.6 -97.8 -26.4 -1.0 21.5 5.3 100 100 A I E +ad 12 63A 0 -38,-2.1 -36,-2.6 -89,-0.2 2,-0.5 -0.969 51.3 179.2-121.6 121.1 1.3 20.1 8.1 101 101 A A E -ad 13 64A 0 -89,-2.9 -87,-3.0 -2,-0.4 2,-0.6 -0.986 12.0-162.5-109.7 124.1 5.1 20.4 8.6 102 102 A F E +ad 14 65A 0 -38,-2.2 -36,-2.8 -2,-0.5 -87,-0.2 -0.922 16.1 168.6-107.4 114.8 6.5 18.7 11.7 103 103 A T - 0 0 36 -89,-2.5 -36,-0.1 -2,-0.6 -38,-0.1 -0.668 15.6-175.7-127.6 71.2 9.9 20.1 12.6 104 104 A P - 0 0 12 0, 0.0 2,-0.1 0, 0.0 -88,-0.1 -0.317 22.8-118.8 -68.9 156.4 10.8 18.7 16.2 105 105 A T > - 0 0 79 -90,-0.3 4,-1.4 1,-0.1 5,-0.1 -0.419 25.3-114.8 -77.4 159.8 13.9 19.5 18.2 106 106 A T H > S+ 0 0 67 2,-0.2 4,-2.7 1,-0.2 -1,-0.1 0.876 116.4 57.7 -61.6 -36.0 16.3 16.9 19.3 107 107 A A H 4 S+ 0 0 72 1,-0.2 -1,-0.2 2,-0.2 6,-0.1 0.872 105.8 48.4 -68.0 -36.9 15.4 17.5 22.9 108 108 A A H 4 S+ 0 0 37 1,-0.2 -1,-0.2 2,-0.2 -2,-0.2 0.848 117.4 42.0 -71.8 -32.6 11.7 16.8 22.2 109 109 A M H < S+ 0 0 1 -4,-1.4 -2,-0.2 1,-0.2 -1,-0.2 0.800 129.3 27.2 -76.8 -34.4 12.5 13.5 20.3 110 110 A Y >< + 0 0 20 -4,-2.7 3,-2.3 -5,-0.1 -1,-0.2 -0.296 65.7 147.8-128.1 54.0 15.2 12.3 22.8 111 111 A P T 3 S+ 0 0 90 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 0.691 87.2 37.2 -64.3 -19.8 14.3 13.9 26.2 112 112 A D T 3 S- 0 0 79 1,-0.4 -5,-0.1 -3,-0.1 -2,-0.0 0.060 107.7-127.5-117.0 21.5 15.9 10.7 27.7 113 113 A G S < S- 0 0 39 -3,-2.3 2,-1.0 -6,-0.1 -1,-0.4 -0.330 70.7 -21.6 65.5-148.6 18.8 10.1 25.4 114 114 A L S S+ 0 0 102 1,-0.1 3,-0.1 -3,-0.1 -1,-0.1 -0.818 90.4 130.5 -95.9 103.5 18.9 6.6 23.9 115 115 A R + 0 0 53 -2,-1.0 2,-0.4 1,-0.5 -1,-0.1 0.533 67.5 23.4-117.6 -90.4 16.9 4.6 26.3 116 116 A T S S+ 0 0 6 343,-0.2 -1,-0.5 293,-0.1 2,-0.3 -0.646 81.9 168.0 -78.1 128.1 14.2 2.4 24.8 117 117 A T E -F 408 0B 19 291,-3.4 291,-3.2 -2,-0.4 2,-0.5 -0.885 37.7-102.0-134.8 170.7 15.2 1.7 21.2 118 118 A V E -F 407 0B 1 19,-0.5 289,-0.2 -2,-0.3 23,-0.2 -0.790 24.1-150.4 -93.3 132.1 14.2 -0.6 18.3 119 119 A Q E -F 406 0B 87 287,-3.6 287,-3.1 -2,-0.5 15,-0.0 -0.903 20.0-145.6-100.2 110.7 16.4 -3.6 17.6 120 120 A P - 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