==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=22-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LIGASE 22-AUG-05 2ART . COMPND 2 MOLECULE: LIPOATE-PROTEIN LIGASE A; . SOURCE 2 ORGANISM_SCIENTIFIC: THERMOPLASMA ACIDOPHILUM; . AUTHOR D.J.KIM,K.H.KIM,H.H.LEE,S.J.LEE,J.Y.HA,H.J.YOON,S.W.SUH . 247 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11653.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 182 73.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 19 7.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 39 15.8 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.8 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 . 23 9.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 19 7.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 68 27.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 2.4 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 1 0 0 0 0 0 1 1 0 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 0 1 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 0 0 PARALLEL BRIDGES PER LADDER . 1 1 2 0 1 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 ANTIPARALLEL BRIDGES PER LADDER . 0 1 0 0 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 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 0 183 0, 0.0 215,-3.5 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 3.1 40.7 22.4 31.2 2 2 A E E -a 216 0A 71 213,-0.2 2,-0.3 215,-0.1 215,-0.2 -0.849 360.0-179.7-108.2 142.7 39.2 21.5 34.7 3 3 A G E -a 217 0A 3 213,-2.0 215,-2.4 -2,-0.4 2,-0.5 -0.822 27.7-103.7-136.8 176.4 35.8 22.6 35.9 4 4 A R E -ab 218 35A 24 30,-3.1 32,-2.8 -2,-0.3 2,-0.7 -0.894 19.0-161.4-108.4 122.9 33.3 22.6 38.7 5 5 A L E -ab 219 36A 12 213,-1.8 215,-3.1 -2,-0.5 2,-0.6 -0.895 14.1-168.6-100.7 112.7 30.2 20.3 38.7 6 6 A L E -ab 220 37A 2 30,-2.9 32,-2.1 -2,-0.7 2,-1.2 -0.894 20.3-172.5-110.8 110.1 27.7 21.7 41.2 7 7 A L + 0 0 67 -2,-0.6 2,-0.9 213,-0.5 30,-0.1 -0.415 32.7 159.0 -90.8 55.3 24.8 19.6 42.1 8 8 A L + 0 0 27 -2,-1.2 2,-0.3 2,-0.0 -2,-0.1 -0.755 13.4 169.0 -86.8 107.3 23.5 22.6 44.1 9 9 A E + 0 0 66 -2,-0.9 30,-0.1 30,-0.1 32,-0.1 -0.901 28.3 173.7-127.1 150.0 19.8 22.1 44.5 10 10 A T > + 0 0 29 30,-0.6 3,-2.0 -2,-0.3 7,-0.3 -0.299 14.4 175.3-147.4 54.5 17.0 23.7 46.4 11 11 A P T 3 S+ 0 0 53 0, 0.0 30,-0.1 0, 0.0 -2,-0.0 -0.192 71.4 44.0 -56.6 163.5 13.6 22.3 45.4 12 12 A G T 3 S+ 0 0 53 56,-0.0 2,-0.2 1,-0.0 29,-0.1 0.032 115.1 55.3 88.9 -31.3 10.8 23.6 47.5 13 13 A N X> + 0 0 62 -3,-2.0 4,-1.9 1,-0.1 3,-0.8 -0.631 56.8 169.7-138.0 78.7 12.3 27.1 47.2 14 14 A T H 3> S+ 0 0 1 1,-0.2 4,-2.7 -2,-0.2 5,-0.3 0.880 79.3 59.9 -54.7 -42.2 12.8 28.1 43.6 15 15 A R H 3> S+ 0 0 71 1,-0.2 4,-1.3 2,-0.2 -1,-0.2 0.845 107.0 45.0 -58.2 -36.1 13.5 31.7 44.5 16 16 A M H <> S+ 0 0 7 -3,-0.8 4,-2.0 -6,-0.2 -1,-0.2 0.855 110.8 55.9 -75.6 -33.9 16.6 30.6 46.6 17 17 A S H X S+ 0 0 0 -4,-1.9 4,-1.9 -7,-0.3 -2,-0.2 0.929 108.3 45.9 -62.2 -46.4 17.6 28.3 43.8 18 18 A L H X S+ 0 0 5 -4,-2.7 4,-2.3 1,-0.2 5,-0.2 0.839 108.8 57.4 -66.4 -31.5 17.6 31.2 41.3 19 19 A A H X S+ 0 0 0 -4,-1.3 4,-2.0 -5,-0.3 -1,-0.2 0.895 104.9 51.3 -64.9 -38.4 19.5 33.3 43.8 20 20 A Y H X S+ 0 0 30 -4,-2.0 4,-2.7 2,-0.2 5,-0.3 0.928 108.5 53.2 -61.8 -44.2 22.2 30.6 43.9 21 21 A D H X S+ 0 0 0 -4,-1.9 4,-1.9 1,-0.2 -2,-0.2 0.945 111.7 42.0 -55.5 -55.5 22.4 30.7 40.1 22 22 A E H X S+ 0 0 13 -4,-2.3 4,-3.4 1,-0.2 -1,-0.2 0.827 112.9 57.2 -64.5 -30.9 23.0 34.5 39.9 23 23 A A H X S+ 0 0 0 -4,-2.0 4,-2.2 -5,-0.2 5,-0.3 0.940 107.0 45.1 -66.9 -47.6 25.4 34.2 42.8 24 24 A I H X S+ 0 0 0 -4,-2.7 4,-1.0 1,-0.2 -1,-0.2 0.863 117.2 48.8 -65.2 -31.3 27.7 31.7 41.1 25 25 A Y H < S+ 0 0 16 -4,-1.9 3,-0.2 -5,-0.3 -2,-0.2 0.970 114.4 42.1 -71.3 -51.8 27.4 33.9 38.0 26 26 A R H < S+ 0 0 118 -4,-3.4 -2,-0.2 1,-0.2 -1,-0.2 0.739 113.0 52.1 -69.7 -23.4 28.2 37.2 39.8 27 27 A S H < S+ 0 0 17 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.794 85.1 109.6 -81.2 -28.2 31.0 35.9 42.0 28 28 A F < - 0 0 5 -4,-1.0 2,-0.3 -5,-0.3 64,-0.1 -0.147 53.1-162.1 -50.5 133.8 32.8 34.4 39.1 29 29 A Q > - 0 0 121 64,-0.0 3,-2.5 1,-0.0 64,-0.1 -0.911 35.3 -84.5-119.8 150.4 36.0 36.2 38.1 30 30 A Y T 3 S+ 0 0 136 -2,-0.3 127,-0.1 1,-0.3 3,-0.1 -0.263 117.8 25.1 -52.4 126.8 37.9 35.9 34.9 31 31 A G T 3 S+ 0 0 63 1,-0.3 -1,-0.3 125,-0.2 -3,-0.0 0.244 89.5 130.1 101.8 -15.4 40.1 32.8 35.0 32 32 A D S < S- 0 0 69 -3,-2.5 -1,-0.3 1,-0.1 61,-0.3 -0.106 73.3 -77.9 -63.9 171.1 38.1 30.9 37.6 33 33 A K - 0 0 109 1,-0.1 -30,-0.2 -3,-0.1 -1,-0.1 -0.530 54.6-106.4 -72.4 136.3 37.2 27.3 37.0 34 34 A P - 0 0 26 0, 0.0 -30,-3.1 0, 0.0 2,-0.4 -0.267 38.4-137.7 -59.1 152.8 34.2 27.0 34.5 35 35 A I E -bC 4 91A 1 56,-2.9 56,-2.1 -32,-0.2 2,-0.4 -0.948 23.1-177.8-124.0 139.0 31.0 25.9 36.3 36 36 A L E -bC 5 90A 0 -32,-2.8 -30,-2.9 -2,-0.4 2,-0.4 -0.992 16.1-172.9-130.4 119.1 28.2 23.5 35.3 37 37 A R E -bC 6 89A 0 52,-2.5 52,-2.3 -2,-0.4 2,-0.4 -0.943 10.7-162.8-120.7 140.2 25.3 23.3 37.7 38 38 A F E + C 0 88A 4 -32,-2.1 2,-0.3 -2,-0.4 50,-0.2 -0.957 22.3 153.2-119.6 135.4 22.3 21.0 37.8 39 39 A Y E - C 0 87A 7 48,-2.1 48,-2.0 -2,-0.4 2,-0.3 -0.994 26.1-149.1-158.1 157.8 19.1 21.7 39.8 40 40 A R - 0 0 83 -2,-0.3 -30,-0.6 46,-0.2 2,-0.3 -0.919 8.0-154.1-128.7 153.9 15.4 21.0 39.9 41 41 A H - 0 0 0 41,-0.4 44,-0.3 44,-0.3 3,-0.2 -0.930 19.3-123.6-125.1 149.6 12.4 23.0 41.2 42 42 A D S S- 0 0 68 -2,-0.3 39,-0.2 1,-0.2 26,-0.1 -0.362 76.3 -31.7 -81.1 174.2 9.1 21.7 42.5 43 43 A R S S+ 0 0 49 -2,-0.1 25,-2.5 24,-0.1 2,-0.3 0.072 92.6 146.9 -31.4 107.1 6.0 23.0 40.7 44 44 A S E -iJ 68 81B 0 37,-3.0 37,-3.3 23,-0.2 2,-0.5 -0.975 45.4-143.2-148.2 159.5 7.0 26.5 39.6 45 45 A V E -iJ 69 80B 0 23,-2.4 25,-1.8 -2,-0.3 2,-0.6 -0.997 20.1-163.3-125.5 125.0 6.6 29.1 36.9 46 46 A I E -iJ 70 79B 3 33,-3.1 33,-2.2 -2,-0.5 25,-0.2 -0.941 4.4-163.6-116.6 118.9 9.7 31.1 36.1 47 47 A I E -i 71 0B 0 23,-2.1 25,-2.5 -2,-0.6 31,-0.1 -0.590 22.2-105.6 -98.1 159.9 9.4 34.4 34.2 48 48 A G > - 0 0 0 28,-0.4 3,-1.8 -2,-0.2 27,-0.3 -0.278 33.8-100.6 -78.7 167.8 12.0 36.3 32.3 49 49 A Y T 3 S+ 0 0 98 25,-2.2 26,-0.2 1,-0.3 -1,-0.1 0.881 121.9 44.1 -54.3 -45.6 13.7 39.5 33.4 50 50 A F T 3 S+ 0 0 176 26,-0.2 -1,-0.3 24,-0.1 2,-0.2 0.286 99.1 104.7 -87.0 13.7 11.6 41.8 31.2 51 51 A Q < - 0 0 25 -3,-1.8 2,-0.5 25,-0.1 -4,-0.1 -0.632 60.6-142.6-101.8 157.4 8.4 40.0 32.0 52 52 A V >> - 0 0 37 -2,-0.2 3,-1.9 1,-0.1 4,-0.8 -0.965 16.6-139.5-114.8 120.4 5.3 40.8 34.2 53 53 A A H >> S+ 0 0 0 192,-2.2 4,-2.8 -2,-0.5 3,-1.5 0.871 100.1 52.9 -45.7 -53.9 3.8 37.9 36.1 54 54 A E H 34 S+ 0 0 89 191,-0.3 -1,-0.3 1,-0.3 5,-0.1 0.659 108.2 54.1 -62.6 -12.8 0.2 38.7 35.6 55 55 A E H <4 S+ 0 0 130 -3,-1.9 -1,-0.3 1,-0.1 -2,-0.2 0.617 118.4 32.2 -93.9 -16.4 0.8 38.9 31.8 56 56 A E H << S+ 0 0 45 -3,-1.5 122,-2.9 -4,-0.8 2,-0.3 0.695 122.4 28.4-111.6 -26.3 2.3 35.5 31.6 57 57 A V B < S-K 177 0C 0 -4,-2.8 2,-0.8 -5,-0.2 -1,-0.2 -0.866 74.4-109.5-135.0 167.4 0.5 33.4 34.2 58 58 A D > - 0 0 55 118,-0.7 4,-2.0 -2,-0.3 5,-0.4 -0.858 19.9-154.2 -99.3 105.6 -2.8 33.2 36.1 59 59 A L T 4 S+ 0 0 72 -2,-0.8 4,-0.4 1,-0.2 -1,-0.1 0.538 95.0 52.1 -56.3 -3.8 -2.2 34.2 39.7 60 60 A D T > S+ 0 0 81 2,-0.2 4,-3.6 3,-0.2 5,-0.4 0.872 102.7 49.8 -97.9 -55.9 -5.2 32.0 40.5 61 61 A Y H > S+ 0 0 61 1,-0.2 4,-1.4 2,-0.2 6,-0.2 0.913 118.7 43.7 -49.2 -44.6 -4.3 28.7 38.8 62 62 A M H X>S+ 0 0 8 -4,-2.0 5,-2.6 2,-0.2 4,-0.6 0.904 113.7 50.5 -67.2 -43.3 -1.0 28.9 40.6 63 63 A K H >45S+ 0 0 170 -4,-0.4 3,-1.3 -5,-0.4 -2,-0.2 0.982 115.9 41.4 -56.7 -59.6 -2.6 30.0 43.8 64 64 A K H 3<5S+ 0 0 148 -4,-3.6 -1,-0.2 1,-0.2 -2,-0.2 0.689 119.9 45.0 -63.4 -22.5 -5.1 27.2 43.8 65 65 A N H 3<5S- 0 0 65 -4,-1.4 -1,-0.2 -5,-0.4 -2,-0.2 0.284 108.9-115.1-108.3 11.3 -2.5 24.6 42.6 66 66 A G T <<5 + 0 0 60 -3,-1.3 2,-0.5 -4,-0.6 -3,-0.2 0.845 55.8 164.1 59.8 35.8 0.4 25.5 44.9 67 67 A I < - 0 0 13 -5,-2.6 -23,-0.2 -6,-0.2 -1,-0.2 -0.770 33.7-132.0 -88.4 123.0 2.6 26.7 42.0 68 68 A M E -i 44 0B 53 -25,-2.5 -23,-2.4 -2,-0.5 2,-0.4 -0.478 15.4-145.2 -74.5 143.5 5.5 28.8 43.1 69 69 A L E +i 45 0B 22 -25,-0.2 2,-0.3 -2,-0.2 -23,-0.2 -0.912 27.7 157.8-110.8 137.0 6.2 32.0 41.2 70 70 A A E -i 46 0B 0 -25,-1.8 -23,-2.1 -2,-0.4 2,-0.5 -0.981 29.7-142.4-158.7 146.1 9.7 33.4 40.6 71 71 A R E -i 47 0B 6 -2,-0.3 -23,-0.2 -25,-0.2 2,-0.1 -0.944 19.2-145.7-114.5 127.7 11.5 35.7 38.2 72 72 A R - 0 0 21 -25,-2.5 -53,-0.0 -2,-0.5 -57,-0.0 -0.419 20.3-120.1 -87.2 167.7 15.0 34.9 36.9 73 73 A Y S S+ 0 0 25 -55,-0.1 2,-0.2 -2,-0.1 -1,-0.1 0.589 88.9 79.6 -82.8 -12.1 17.7 37.4 36.1 74 74 A T S S- 0 0 2 1,-0.1 -25,-2.2 78,-0.1 -2,-0.2 -0.629 82.1-113.2 -95.9 156.7 18.0 36.4 32.5 75 75 A G + 0 0 22 76,-0.6 2,-0.2 -27,-0.3 -1,-0.1 0.092 63.8 85.0 -71.6-169.6 15.7 37.5 29.6 76 76 A G S S- 0 0 31 -28,-0.1 -28,-0.4 74,-0.1 -26,-0.2 -0.475 72.9 -49.4 107.3-178.9 13.4 35.2 27.7 77 77 A G - 0 0 37 -2,-0.2 2,-0.4 -30,-0.1 -26,-0.1 -0.152 59.7 -78.6 -89.3-176.2 9.9 33.8 28.1 78 78 A A - 0 0 18 -31,-0.1 2,-0.3 100,-0.1 -31,-0.2 -0.668 45.1-177.1 -88.1 132.4 7.9 32.1 30.9 79 79 A V E -J 46 0B 41 -33,-2.2 -33,-3.1 -2,-0.4 2,-0.4 -0.910 21.8-129.5-129.8 157.3 8.4 28.4 31.6 80 80 A Y E -J 45 0B 3 -2,-0.3 2,-0.3 -35,-0.2 -35,-0.2 -0.888 25.0-168.5-106.3 131.9 6.9 25.8 34.0 81 81 A H E +J 44 0B 9 -37,-3.3 -37,-3.0 -2,-0.4 2,-0.3 -0.898 15.6 156.2-122.0 150.2 9.1 23.6 36.1 82 82 A D > - 0 0 17 -2,-0.3 3,-2.8 -39,-0.2 -41,-0.4 -0.888 64.2 -79.5-153.7 175.5 8.4 20.5 38.3 83 83 A L T 3 S+ 0 0 69 1,-0.3 -41,-0.1 -2,-0.3 85,-0.1 0.583 127.3 66.9 -62.4 -5.2 10.7 17.7 39.5 84 84 A G T 3 S+ 0 0 2 -43,-0.1 83,-2.4 83,-0.1 82,-2.4 0.433 88.5 81.9 -91.8 -0.8 10.3 16.3 36.0 85 85 A D E < - D 0 165A 2 -3,-2.8 2,-0.6 -44,-0.3 -44,-0.3 -0.876 68.1-152.6-106.5 135.4 12.2 19.2 34.6 86 86 A L E - D 0 164A 3 78,-3.0 78,-2.0 -2,-0.4 2,-0.3 -0.927 13.8-172.5-112.4 113.8 16.0 19.3 34.6 87 87 A N E +CD 39 163A 3 -48,-2.0 -48,-2.1 -2,-0.6 2,-0.3 -0.699 5.3 178.1-101.3 155.0 17.6 22.7 34.7 88 88 A F E -CD 38 162A 0 74,-1.6 74,-2.0 -2,-0.3 2,-0.3 -0.969 12.7-150.1-159.2 142.7 21.4 23.4 34.4 89 89 A S E -CD 37 161A 1 -52,-2.3 -52,-2.5 -2,-0.3 2,-0.4 -0.869 1.7-161.3-120.2 151.2 23.7 26.4 34.2 90 90 A V E +CD 36 160A 2 70,-2.4 70,-2.0 -2,-0.3 2,-0.4 -0.996 8.8 179.6-129.7 128.9 27.1 27.1 32.6 91 91 A V E +CD 35 159A 0 -56,-2.1 -56,-2.9 -2,-0.4 2,-0.3 -0.991 13.7 158.9-131.9 122.8 29.4 29.9 33.7 92 92 A R E - D 0 158A 47 66,-1.4 66,-1.9 -2,-0.4 -59,-0.1 -0.933 46.5 -86.6-139.8 162.3 32.7 30.6 32.0 93 93 A S E - D 0 157A 29 -2,-0.3 2,-0.4 -61,-0.3 64,-0.3 -0.360 46.9-146.8 -65.3 150.2 35.3 33.3 31.5 94 94 A S + 0 0 8 62,-1.4 62,-0.5 60,-0.1 -64,-0.1 -0.982 29.2 178.1-129.7 137.0 34.4 35.6 28.6 95 95 A D S S+ 0 0 126 -2,-0.4 2,-0.3 60,-0.1 -1,-0.1 0.252 75.0 23.2-114.2 7.9 36.6 37.5 26.1 96 96 A D S S- 0 0 80 2,-0.1 60,-0.1 3,-0.0 61,-0.0 -0.917 71.5-116.3-157.7-178.3 33.8 38.9 24.0 97 97 A M + 0 0 168 -2,-0.3 2,-1.2 56,-0.1 56,-0.0 0.183 60.9 137.0-113.9 13.3 30.1 39.8 23.9 98 98 A D > + 0 0 66 1,-0.2 4,-1.0 2,-0.1 3,-0.1 -0.481 23.3 174.1 -68.9 93.9 29.1 37.3 21.3 99 99 A I H > S+ 0 0 93 -2,-1.2 4,-2.0 1,-0.2 5,-0.2 0.870 72.1 61.8 -68.1 -40.3 25.8 35.8 22.5 100 100 A T H > S+ 0 0 78 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.894 102.0 51.0 -56.1 -44.0 25.1 33.7 19.5 101 101 A S H > S+ 0 0 33 2,-0.2 4,-3.4 1,-0.2 5,-0.3 0.863 106.4 54.8 -64.7 -35.5 28.3 31.6 19.9 102 102 A M H X S+ 0 0 8 -4,-1.0 4,-2.7 -3,-0.2 5,-0.2 0.980 114.0 40.1 -60.4 -55.2 27.5 30.9 23.5 103 103 A F H X S+ 0 0 24 -4,-2.0 4,-2.2 1,-0.2 -2,-0.2 0.891 116.6 51.9 -59.4 -40.6 24.0 29.5 22.6 104 104 A R H X S+ 0 0 148 -4,-2.7 4,-1.5 -5,-0.2 -1,-0.2 0.933 113.1 43.4 -63.3 -47.2 25.5 27.8 19.5 105 105 A T H X S+ 0 0 47 -4,-3.4 4,-1.2 1,-0.2 -2,-0.2 0.879 113.9 50.1 -67.7 -38.7 28.2 26.1 21.5 106 106 A M H X S+ 0 0 0 -4,-2.7 4,-2.1 -5,-0.3 -1,-0.2 0.873 108.9 52.0 -69.1 -36.7 25.9 25.1 24.4 107 107 A N H X S+ 0 0 8 -4,-2.2 4,-3.0 -5,-0.2 5,-0.2 0.864 104.3 56.9 -66.6 -36.3 23.4 23.6 22.0 108 108 A E H X S+ 0 0 111 -4,-1.5 4,-2.1 1,-0.2 -1,-0.2 0.884 108.7 47.7 -62.0 -36.0 26.1 21.5 20.3 109 109 A A H X S+ 0 0 0 -4,-1.2 4,-1.8 2,-0.2 -2,-0.2 0.902 111.6 49.2 -70.4 -42.4 26.8 20.0 23.7 110 110 A V H X S+ 0 0 0 -4,-2.1 4,-2.8 2,-0.2 5,-0.2 0.922 112.1 49.0 -62.7 -44.2 23.2 19.4 24.4 111 111 A V H X S+ 0 0 18 -4,-3.0 4,-1.7 1,-0.2 10,-0.3 0.914 112.4 46.9 -61.9 -45.0 22.8 17.7 21.0 112 112 A N H X S+ 0 0 48 -4,-2.1 4,-0.7 -5,-0.2 -1,-0.2 0.807 113.7 51.0 -67.2 -28.9 25.9 15.5 21.6 113 113 A S H >X S+ 0 0 0 -4,-1.8 3,-0.9 2,-0.2 4,-0.6 0.944 109.2 47.1 -72.5 -50.5 24.6 14.7 25.0 114 114 A L H ><>S+ 0 0 1 -4,-2.8 5,-2.2 1,-0.3 3,-0.9 0.809 103.7 64.5 -62.9 -29.3 21.1 13.6 24.0 115 115 A R H ><5S+ 0 0 138 -4,-1.7 3,-1.9 1,-0.3 -1,-0.3 0.845 92.2 62.3 -63.7 -32.7 22.6 11.5 21.2 116 116 A I H <<5S+ 0 0 67 -3,-0.9 -1,-0.3 -4,-0.7 -2,-0.2 0.822 104.7 48.9 -60.7 -30.3 24.2 9.3 23.8 117 117 A L T <<5S- 0 0 32 -3,-0.9 -1,-0.3 -4,-0.6 -2,-0.2 0.312 123.8-105.2 -93.2 8.0 20.7 8.5 25.0 118 118 A G T < 5S+ 0 0 63 -3,-1.9 2,-0.7 1,-0.2 -3,-0.2 0.547 80.9 130.0 81.7 7.3 19.5 7.7 21.5 119 119 A L < - 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0 0 13 -5,-1.4 2,-1.3 -6,-0.3 -213,-0.2 -0.991 53.4-140.3-126.0 128.3 36.4 20.7 30.3 216 225 A D E -a 2 0A 85 -215,-3.5 -213,-2.0 -2,-0.4 2,-0.7 -0.699 22.9-158.5 -90.6 88.1 36.8 18.0 32.9 217 226 A F E -a 3 0A 12 -2,-1.3 2,-0.5 -11,-0.2 -213,-0.2 -0.568 9.3-169.1 -71.5 107.8 33.9 18.8 35.3 218 227 A R E -a 4 0A 144 -215,-2.4 -213,-1.8 -2,-0.7 -2,-0.0 -0.875 33.3 -98.9-104.2 129.0 34.7 17.3 38.7 219 228 A E E +a 5 0A 147 -2,-0.5 2,-0.2 -215,-0.2 -213,-0.2 -0.123 58.1 160.0 -44.5 128.5 32.0 17.2 41.3 220 229 A D E -a 6 0A 66 -215,-3.1 -213,-0.5 -3,-0.0 2,-0.3 -0.805 33.1-112.9-142.6-177.9 32.5 20.1 43.7 221 230 A T - 0 0 104 -2,-0.2 2,-0.1 -215,-0.1 -215,-0.1 -0.868 35.0 -95.9-123.7 158.4 30.6 22.2 46.3 222 231 A I - 0 0 31 -2,-0.3 2,-0.1 1,-0.1 -1,-0.0 -0.416 44.9-120.3 -68.8 145.8 29.5 25.9 46.4 223 232 A T > - 0 0 56 1,-0.1 4,-2.7 -2,-0.1 5,-0.1 -0.386 17.8-113.1 -84.6 167.2 32.0 28.1 48.3 224 233 A E H > S+ 0 0 170 2,-0.2 4,-1.8 1,-0.2 5,-0.2 0.876 117.8 56.0 -66.8 -36.0 31.1 30.2 51.4 225 234 A K H > S+ 0 0 124 2,-0.2 4,-2.1 1,-0.2 3,-0.2 0.954 112.9 39.2 -60.5 -50.9 31.7 33.3 49.3 226 235 A E H > S+ 0 0 9 1,-0.2 4,-2.3 2,-0.2 -2,-0.2 0.908 113.8 55.7 -65.0 -42.4 29.1 32.3 46.7 227 236 A E H X S+ 0 0 63 -4,-2.7 4,-1.3 1,-0.2 -1,-0.2 0.790 109.4 47.6 -60.7 -29.5 26.8 30.9 49.4 228 237 A S H X S+ 0 0 74 -4,-1.8 4,-2.0 -3,-0.2 -1,-0.2 0.886 109.5 50.7 -79.1 -42.2 26.9 34.3 51.2 229 238 A L H X S+ 0 0 35 -4,-2.1 4,-2.9 1,-0.2 5,-0.2 0.879 110.0 52.1 -62.6 -36.5 26.1 36.3 48.0 230 239 A A H X S+ 0 0 0 -4,-2.3 4,-2.3 2,-0.2 -1,-0.2 0.912 108.0 50.8 -65.3 -43.5 23.2 33.9 47.3 231 240 A R H X S+ 0 0 96 -4,-1.3 4,-2.3 1,-0.2 -1,-0.2 0.869 113.9 45.3 -62.1 -36.4 21.8 34.5 50.8 232 241 A E H X S+ 0 0 92 -4,-2.0 4,-2.4 2,-0.2 5,-0.2 0.902 111.2 50.6 -75.2 -40.5 22.1 38.2 50.2 233 242 A L H X>S+ 0 0 13 -4,-2.9 5,-1.6 2,-0.2 4,-1.1 0.867 114.0 48.6 -63.8 -33.2 20.6 38.1 46.7 234 243 A F H <>S+ 0 0 31 -4,-2.3 5,-2.2 3,-0.2 3,-0.4 0.981 113.7 41.6 -68.4 -59.9 17.7 36.1 48.3 235 244 A D H <5S+ 0 0 89 -4,-2.3 -2,-0.2 1,-0.2 -3,-0.2 0.870 124.0 38.8 -57.0 -40.5 17.0 38.3 51.3 236 245 A K H <5S- 0 0 136 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.615 137.5 -5.6 -88.8 -12.9 17.3 41.5 49.3 237 246 A K T ><5S+ 0 0 31 -4,-1.1 3,-3.2 -3,-0.4 6,-0.3 0.445 120.3 51.5-141.4 -75.9 15.7 40.4 46.0 238 247 A Y T 3 S- 0 0 23 -3,-3.2 4,-1.6 -6,-0.2 5,-0.1 -0.563 71.5-138.9 -91.3 152.2 10.6 40.0 47.5 241 250 A E H > S+ 0 0 150 -2,-0.2 4,-2.0 1,-0.2 5,-0.3 0.871 100.9 61.0 -73.9 -38.9 7.2 40.4 45.7 242 251 A E H >>S+ 0 0 85 1,-0.2 5,-2.7 2,-0.2 6,-1.6 0.872 108.9 44.6 -57.6 -36.9 8.2 43.3 43.6 243 252 A W H 45S+ 0 0 8 -6,-0.3 3,-0.2 4,-0.2 -1,-0.2 0.950 115.8 43.8 -72.7 -49.4 11.0 41.3 42.0 244 253 A N H <5S+ 0 0 0 -4,-1.6 -2,-0.2 -7,-0.3 -1,-0.2 0.649 113.0 51.9 -72.1 -16.7 9.0 38.1 41.4 245 254 A M H <5S- 0 0 62 -4,-2.0 -192,-2.2 -5,-0.1 -191,-0.3 0.717 121.1-111.9 -87.4 -23.4 6.0 40.1 40.0 246 255 A G T <5S+ 0 0 19 -4,-0.8 -3,-0.2 -5,-0.3 -2,-0.1 0.574 85.9 113.6 105.4 14.5 8.5 41.8 37.7 247 256 A L < 0 0 143 -5,-2.7 -4,-0.2 -6,-0.3 -5,-0.1 0.816 360.0 360.0 -85.8 -33.7 8.5 45.4 39.1 248 257 A L 0 0 90 -6,-1.6 -1,-0.0 -7,-0.1 -2,-0.0 -0.587 360.0 360.0 -74.8 360.0 12.1 45.6 40.4