==== 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 OXIDOREDUCTASE 25-MAR-03 1UAY . COMPND 2 MOLECULE: TYPE II 3-HYDROXYACYL-COA DEHYDROGENASE; . SOURCE 2 ORGANISM_SCIENTIFIC: THERMUS THERMOPHILUS; . AUTHOR N.KUNISHIMA,Y.ASADA,S.YOKOYAMA,S.KURAMITSU,M.MIYANO,RIKEN ST . 479 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 20430.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 356 74.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 72 15.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.8 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 . 2 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.4 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 . 41 8.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 45 9.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 163 34.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 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 3 0 0 0 2 0 0 2 0 4 4 0 0 0 0 0 0 2 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 0 0 6 4 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 PARALLEL BRIDGES PER LADDER . 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 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 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 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 2 A E 0 0 173 0, 0.0 2,-0.3 0, 0.0 25,-0.1 0.000 360.0 360.0 360.0 -37.2 10.6 23.6 5.6 2 3 A R - 0 0 55 23,-0.3 25,-2.3 62,-0.2 2,-0.2 -0.934 360.0-136.3-132.4 156.0 14.3 22.6 5.8 3 4 A S E -ab 27 66A 0 62,-2.6 64,-2.4 -2,-0.3 65,-1.4 -0.677 14.5-156.8-107.4 163.7 16.6 20.4 3.9 4 5 A A E -ab 28 68A 0 23,-2.2 25,-2.8 -2,-0.2 2,-0.5 -0.983 6.4-149.8-139.7 149.1 19.2 18.0 5.3 5 6 A L E -ab 29 69A 0 63,-2.5 65,-3.0 -2,-0.3 2,-0.5 -0.989 13.9-175.9-122.2 122.8 22.4 16.4 3.9 6 7 A V E > -ab 30 70A 0 23,-2.6 25,-2.1 -2,-0.5 3,-0.8 -0.966 10.5-155.8-122.5 115.6 23.5 13.0 5.1 7 8 A T E 3 S+ab 31 71A 1 63,-2.7 65,-1.1 -2,-0.5 25,-0.2 -0.675 83.4 25.9 -87.7 145.2 26.8 11.6 3.8 8 9 A G T > S+ 0 0 7 23,-2.5 3,-1.3 -2,-0.3 7,-0.6 0.666 79.7 143.5 77.4 17.6 27.0 7.8 3.9 9 10 A G T < + 0 0 0 -3,-0.8 23,-0.1 22,-0.6 -2,-0.1 0.435 45.8 83.0 -71.7 0.1 23.2 7.6 3.7 10 11 A A T 3 S- 0 0 6 21,-0.2 2,-0.3 1,-0.1 -1,-0.2 0.742 104.7 -3.9 -75.7 -22.2 23.2 4.5 1.5 11 12 A S S X> S+ 0 0 71 -3,-1.3 4,-1.8 25,-0.1 3,-0.7 -0.958 104.2 3.8-159.1 175.8 23.6 2.2 4.5 12 13 A G H 3> S- 0 0 21 -2,-0.3 4,-2.1 1,-0.2 5,-0.2 -0.070 118.1 -2.3 48.3-129.9 24.0 1.7 8.2 13 14 A L H 3> S+ 0 0 16 168,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.908 135.8 49.9 -61.2 -46.8 24.1 4.7 10.4 14 15 A G H <> S+ 0 0 1 -3,-0.7 4,-2.8 -6,-0.4 -5,-0.3 0.909 110.0 51.9 -60.3 -42.9 23.8 7.3 7.7 15 16 A R H X S+ 0 0 95 -4,-1.8 4,-2.6 -7,-0.6 5,-0.2 0.934 110.1 48.3 -59.5 -47.3 20.8 5.5 6.2 16 17 A A H X S+ 0 0 9 -4,-2.1 4,-2.4 1,-0.2 -1,-0.2 0.917 112.5 48.5 -61.3 -43.4 19.1 5.4 9.6 17 18 A A H X S+ 0 0 0 -4,-2.4 4,-2.5 2,-0.2 -1,-0.2 0.925 111.3 50.5 -62.7 -43.8 19.7 9.1 10.1 18 19 A A H X S+ 0 0 0 -4,-2.8 4,-2.2 1,-0.2 -2,-0.2 0.924 112.4 46.0 -60.4 -46.0 18.5 10.0 6.6 19 20 A L H X S+ 0 0 52 -4,-2.6 4,-2.3 2,-0.2 -1,-0.2 0.889 113.0 50.0 -65.4 -39.4 15.2 8.0 7.1 20 21 A A H X S+ 0 0 26 -4,-2.4 4,-1.4 -5,-0.2 -2,-0.2 0.899 111.3 48.7 -66.3 -40.2 14.6 9.5 10.6 21 22 A L H X>S+ 0 0 0 -4,-2.5 5,-2.4 2,-0.2 4,-0.6 0.891 110.3 51.5 -66.7 -38.2 15.2 13.0 9.2 22 23 A K H ><5S+ 0 0 65 -4,-2.2 3,-1.3 1,-0.2 -2,-0.2 0.932 109.6 49.2 -63.4 -44.9 12.8 12.3 6.3 23 24 A A H 3<5S+ 0 0 92 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.799 106.6 57.9 -63.8 -28.5 10.1 11.1 8.8 24 25 A R H 3<5S- 0 0 135 -4,-1.4 -1,-0.3 -5,-0.2 -2,-0.2 0.615 127.9 -97.3 -77.0 -14.5 10.7 14.3 10.8 25 26 A G T <<5S+ 0 0 51 -3,-1.3 -23,-0.3 -4,-0.6 -3,-0.2 0.422 75.8 139.4 113.8 -0.8 9.8 16.4 7.8 26 27 A Y < - 0 0 19 -5,-2.4 2,-1.1 -6,-0.1 -1,-0.3 -0.455 58.2-123.2 -76.6 149.9 13.2 17.3 6.4 27 28 A R E -a 3 0A 135 -25,-2.3 -23,-2.2 -2,-0.1 2,-0.4 -0.839 43.8-151.9 -90.0 101.8 13.8 17.3 2.6 28 29 A V E -a 4 0A 3 -2,-1.1 13,-2.0 -25,-0.2 2,-0.5 -0.682 22.3-173.2 -93.5 129.9 16.7 14.8 2.7 29 30 A V E -ac 5 41A 0 -25,-2.8 -23,-2.6 -2,-0.4 2,-0.4 -0.959 12.4-153.6-115.5 130.4 19.6 14.6 0.3 30 31 A V E -ac 6 42A 0 11,-3.5 13,-3.1 -2,-0.5 2,-0.5 -0.882 4.6-163.0-105.8 134.2 22.0 11.7 0.6 31 32 A L E +ac 7 43A 0 -25,-2.1 -23,-2.5 -2,-0.4 -22,-0.6 -0.983 35.3 132.8-115.0 119.1 25.6 11.9 -0.6 32 33 A D E - c 0 44A 19 11,-1.7 13,-1.8 -2,-0.5 14,-0.1 -0.977 67.4-111.8-160.3 158.7 27.2 8.4 -1.0 33 34 A L S S+ 0 0 98 -2,-0.3 2,-0.3 11,-0.2 13,-0.1 0.755 105.8 44.3 -67.2 -22.9 29.2 6.4 -3.5 34 35 A R S S- 0 0 157 11,-0.1 2,-0.3 9,-0.1 9,-0.1 -0.833 73.9-142.5-121.2 157.8 26.1 4.3 -4.0 35 36 A R - 0 0 138 -2,-0.3 2,-0.2 7,-0.1 -25,-0.0 -0.808 19.4-172.5-114.8 158.3 22.4 5.0 -4.4 36 37 A E - 0 0 88 -2,-0.3 4,-0.1 2,-0.1 6,-0.1 -0.575 34.2 -94.5-132.6-160.8 19.6 2.9 -3.0 37 38 A G S S+ 0 0 74 -2,-0.2 2,-0.0 -27,-0.1 -27,-0.0 0.197 72.4 115.5-113.6 19.3 15.8 2.6 -3.1 38 39 A E S S- 0 0 75 1,-0.1 2,-2.1 -28,-0.0 -2,-0.1 -0.291 83.4 -92.6 -79.7 170.7 14.4 4.6 -0.2 39 40 A D S S+ 0 0 126 2,-0.1 2,-0.3 -2,-0.0 -1,-0.1 -0.495 90.7 109.7 -83.6 69.3 12.3 7.7 -0.6 40 41 A L S S- 0 0 19 -2,-2.1 2,-0.7 -4,-0.1 -11,-0.2 -0.910 77.1-104.0-138.2 162.5 15.3 10.0 -0.5 41 42 A I E -c 29 0A 40 -13,-2.0 -11,-3.5 -2,-0.3 2,-0.6 -0.834 38.8-154.2 -92.9 118.5 17.2 12.1 -2.9 42 43 A Y E -c 30 0A 28 -2,-0.7 2,-0.6 -13,-0.2 -11,-0.2 -0.850 16.1-176.7-102.7 122.6 20.4 10.3 -3.9 43 44 A V E -c 31 0A 6 -13,-3.1 -11,-1.7 -2,-0.6 2,-0.6 -0.973 21.1-144.2-113.4 116.3 23.5 12.2 -5.1 44 45 A E E +c 32 0A 99 -2,-0.6 2,-0.3 -13,-0.2 -11,-0.2 -0.736 47.5 107.6 -86.2 121.6 26.2 9.8 -6.0 45 46 A G - 0 0 8 -13,-1.8 2,-0.5 -2,-0.6 -11,-0.1 -0.985 63.8 -89.4-175.1 178.5 29.6 11.1 -5.1 46 47 A D > - 0 0 17 -2,-0.3 3,-2.1 1,-0.1 7,-0.3 -0.919 19.7-144.9-112.5 125.4 32.7 11.0 -3.0 47 48 A V T 3 S+ 0 0 11 -2,-0.5 -1,-0.1 1,-0.3 60,-0.1 0.686 100.9 62.8 -61.4 -18.0 33.0 13.1 0.2 48 49 A T T 3 S+ 0 0 29 58,-0.1 2,-0.6 1,-0.1 -1,-0.3 0.572 90.7 78.5 -83.2 -8.9 36.8 13.6 -0.5 49 50 A R <> - 0 0 149 -3,-2.1 4,-2.0 1,-0.1 3,-0.5 -0.891 68.3-155.6-104.2 116.6 35.9 15.4 -3.7 50 51 A E H > S+ 0 0 97 -2,-0.6 4,-2.7 1,-0.2 5,-0.2 0.846 94.3 58.1 -58.5 -34.3 34.9 19.0 -3.3 51 52 A E H > S+ 0 0 151 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.905 108.0 46.5 -63.1 -39.3 32.9 19.0 -6.5 52 53 A D H > S+ 0 0 25 -3,-0.5 4,-1.9 -6,-0.3 -2,-0.2 0.895 113.8 46.5 -69.8 -41.9 30.8 16.1 -5.3 53 54 A V H X S+ 0 0 0 -4,-2.0 4,-2.7 -7,-0.3 5,-0.2 0.923 111.6 52.2 -66.8 -42.2 30.1 17.7 -1.9 54 55 A R H X S+ 0 0 121 -4,-2.7 4,-2.3 1,-0.2 -2,-0.2 0.884 108.4 51.4 -61.0 -37.5 29.3 21.0 -3.5 55 56 A R H X S+ 0 0 125 -4,-1.8 4,-2.0 -5,-0.2 -1,-0.2 0.908 112.0 46.2 -66.0 -41.2 26.8 19.3 -5.8 56 57 A A H X S+ 0 0 0 -4,-1.9 4,-2.0 2,-0.2 -2,-0.2 0.892 111.8 50.5 -67.9 -41.7 25.1 17.6 -2.9 57 58 A V H X S+ 0 0 6 -4,-2.7 4,-2.4 1,-0.2 -2,-0.2 0.935 112.5 46.8 -62.4 -46.1 24.9 20.8 -0.8 58 59 A A H X S+ 0 0 46 -4,-2.3 4,-1.6 1,-0.2 -1,-0.2 0.889 108.9 55.3 -63.5 -39.4 23.4 22.7 -3.7 59 60 A R H X S+ 0 0 75 -4,-2.0 4,-0.8 1,-0.2 -1,-0.2 0.910 109.4 47.4 -60.4 -41.6 20.9 19.9 -4.4 60 61 A A H >X S+ 0 0 0 -4,-2.0 4,-1.8 1,-0.2 3,-1.1 0.935 109.5 53.0 -65.0 -45.6 19.8 20.2 -0.8 61 62 A Q H 3< S+ 0 0 74 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.771 101.4 60.6 -62.6 -25.0 19.5 23.9 -1.0 62 63 A E H 3< S+ 0 0 145 -4,-1.6 -1,-0.3 1,-0.2 -2,-0.2 0.806 107.1 46.9 -71.6 -26.4 17.3 23.6 -4.0 63 64 A E H << S- 0 0 63 -3,-1.1 -2,-0.2 -4,-0.8 -1,-0.2 0.883 133.0 -47.7 -79.7 -41.5 14.8 21.7 -1.9 64 65 A A S < S- 0 0 16 -4,-1.8 -1,-0.3 -37,-0.1 -62,-0.2 -0.936 82.9 -47.9 179.3 167.3 14.8 24.1 1.1 65 66 A P - 0 0 73 0, 0.0 -62,-2.6 0, 0.0 2,-0.5 -0.307 64.0-115.7 -55.9 129.4 17.2 26.0 3.3 66 67 A L E +b 3 0A 0 -64,-0.2 -62,-0.2 1,-0.2 3,-0.1 -0.564 52.6 149.8 -72.6 117.3 19.9 23.5 4.5 67 68 A F E + 0 0 10 -64,-2.4 61,-3.0 -2,-0.5 2,-0.5 0.764 54.7 50.6-114.3 -47.3 19.7 23.1 8.3 68 69 A A E +bd 4 128A 0 -65,-1.4 -63,-2.5 59,-0.2 2,-0.5 -0.865 54.6 179.0-106.8 127.7 20.9 19.6 9.2 69 70 A V E -bd 5 129A 0 59,-2.4 61,-3.3 -2,-0.5 2,-0.5 -0.992 3.7-174.6-125.7 124.3 24.2 18.1 8.0 70 71 A V E -bd 6 130A 0 -65,-3.0 -63,-2.7 -2,-0.5 2,-0.9 -0.965 10.9-158.5-123.7 114.3 25.2 14.6 9.1 71 72 A S E +bd 7 131A 3 59,-2.7 61,-0.6 -2,-0.5 -63,-0.1 -0.818 35.9 141.9 -92.4 106.0 28.6 13.2 8.2 72 73 A A + 0 0 24 -65,-1.1 -58,-0.4 -2,-0.9 2,-0.3 0.232 30.2 116.7-127.3 10.2 28.3 9.5 8.4 73 74 A A + 0 0 21 -3,-0.1 2,-0.3 26,-0.1 59,-0.1 -0.630 40.0 129.2 -81.4 138.4 30.4 8.4 5.4 74 75 A G - 0 0 28 -2,-0.3 2,-0.3 29,-0.1 22,-0.1 -0.990 42.1-133.2-175.4 171.1 33.5 6.4 6.3 75 76 A V - 0 0 46 -2,-0.3 2,-0.2 21,-0.2 109,-0.1 -0.923 17.3-141.4-135.5 160.2 35.7 3.4 5.8 76 77 A G - 0 0 28 -2,-0.3 2,-0.3 107,-0.2 108,-0.1 -0.719 10.9-169.5-119.0 171.0 37.4 1.0 8.2 77 78 A L - 0 0 43 -2,-0.2 2,-0.5 2,-0.0 70,-0.3 -0.927 13.9-164.2-162.3 135.4 40.7 -0.8 8.3 78 79 A A + 0 0 57 -2,-0.3 2,-0.3 109,-0.1 66,-0.2 -0.944 38.9 138.1-122.1 102.7 42.2 -3.6 10.3 79 80 A E - 0 0 54 64,-2.6 66,-0.5 -2,-0.5 67,-0.3 -0.949 44.9-128.8-152.5 127.8 46.0 -3.6 9.8 80 81 A K - 0 0 130 -2,-0.3 3,-0.2 1,-0.1 62,-0.0 -0.381 17.2-128.5 -76.3 153.4 48.9 -4.0 12.2 81 82 A I S S+ 0 0 111 1,-0.3 7,-2.5 6,-0.1 2,-0.7 0.893 107.0 41.0 -64.6 -40.4 51.8 -1.5 12.4 82 83 A L B S-G 87 0B 137 5,-0.2 -1,-0.3 3,-0.0 -2,-0.1 -0.912 83.2-176.9-114.0 104.6 54.1 -4.5 12.0 83 84 A G - 0 0 43 3,-2.0 5,-0.1 -2,-0.7 -2,-0.0 -0.101 40.8 -97.8 -87.4-170.5 52.9 -7.0 9.4 84 85 A K S S+ 0 0 202 1,-0.1 -1,-0.1 3,-0.1 -2,-0.0 0.770 121.7 27.5 -81.9 -26.7 54.3 -10.3 8.3 85 86 A E S S- 0 0 195 1,-0.4 -1,-0.1 2,-0.0 -3,-0.0 0.667 133.1 -43.5-105.5 -26.1 56.1 -9.0 5.2 86 87 A G S S- 0 0 34 3,-0.0 -3,-2.0 0, 0.0 -1,-0.4 -0.968 80.4 -39.7 179.9-170.6 56.7 -5.4 6.4 87 88 A P B S-G 82 0B 106 0, 0.0 -5,-0.2 0, 0.0 -6,-0.1 -0.243 77.1 -68.4 -73.6 163.1 55.3 -2.4 8.1 88 89 A H - 0 0 33 -7,-2.5 -7,-0.1 1,-0.1 -9,-0.0 -0.178 64.8-103.0 -45.7 133.6 51.7 -1.0 7.8 89 90 A G > - 0 0 31 1,-0.1 4,-1.0 -3,-0.1 -1,-0.1 -0.324 18.9-141.8 -64.6 147.1 51.3 0.4 4.3 90 91 A L H > S+ 0 0 121 2,-0.2 4,-2.5 1,-0.2 5,-0.1 0.874 98.3 54.2 -77.8 -36.6 51.4 4.1 3.9 91 92 A E H > S+ 0 0 116 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.885 105.4 51.8 -66.2 -39.7 48.7 4.3 1.2 92 93 A S H > S+ 0 0 34 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.901 111.7 48.4 -64.0 -38.1 46.1 2.4 3.3 93 94 A F H X S+ 0 0 68 -4,-1.0 4,-2.0 1,-0.2 -2,-0.2 0.942 111.7 49.4 -64.9 -47.5 46.8 4.8 6.2 94 95 A R H X S+ 0 0 117 -4,-2.5 4,-2.8 1,-0.2 -2,-0.2 0.894 108.3 53.8 -59.4 -41.7 46.4 7.8 3.9 95 96 A R H X S+ 0 0 105 -4,-2.6 4,-2.5 1,-0.2 5,-0.3 0.912 107.6 49.3 -60.9 -44.9 43.1 6.4 2.4 96 97 A V H X S+ 0 0 5 -4,-1.8 4,-2.2 1,-0.2 5,-0.5 0.915 113.8 46.5 -62.1 -42.0 41.5 6.0 5.8 97 98 A L H X>S+ 0 0 50 -4,-2.0 5,-2.4 3,-0.2 4,-1.8 0.912 110.8 53.9 -65.3 -42.4 42.5 9.6 6.7 98 99 A E H <>S+ 0 0 72 -4,-2.8 5,-1.7 3,-0.2 -2,-0.2 0.941 117.8 33.2 -59.0 -50.5 41.3 10.9 3.4 99 100 A V H <5S+ 0 0 9 -4,-2.5 5,-0.3 3,-0.2 -2,-0.2 0.970 127.1 35.4 -73.1 -52.7 37.8 9.5 3.7 100 101 A N H <5S+ 0 0 0 -4,-2.2 4,-0.2 -5,-0.3 -3,-0.2 0.860 133.4 19.0 -72.7 -39.5 37.2 9.7 7.4 101 102 A L T X5S+ 0 0 49 -4,-1.8 4,-2.4 -5,-0.5 5,-0.2 0.895 129.9 38.5 -99.6 -57.6 38.9 12.9 8.4 102 103 A L H > S+ 0 0 5 -5,-0.3 4,-2.3 -4,-0.2 -1,-0.2 0.904 114.0 47.1 -65.1 -40.7 34.4 15.1 7.2 105 106 A F H X S+ 0 0 96 -4,-2.4 4,-2.8 2,-0.2 5,-0.3 0.892 110.2 53.9 -67.1 -38.6 36.3 18.4 7.1 106 107 A N H X S+ 0 0 9 -4,-2.9 4,-2.0 -5,-0.2 5,-0.3 0.929 111.1 44.7 -61.6 -46.0 35.4 18.8 3.4 107 108 A V H X S+ 0 0 0 -4,-2.3 4,-2.6 -5,-0.2 5,-0.3 0.920 114.0 50.9 -65.2 -42.4 31.7 18.4 4.2 108 109 A L H X S+ 0 0 11 -4,-2.3 4,-2.4 1,-0.2 5,-0.2 0.942 112.4 43.4 -62.1 -49.8 31.9 20.7 7.2 109 110 A R H X S+ 0 0 86 -4,-2.8 4,-1.9 1,-0.2 -1,-0.2 0.896 118.6 44.1 -65.1 -40.2 33.6 23.6 5.4 110 111 A L H X S+ 0 0 12 -4,-2.0 4,-1.9 -5,-0.3 -2,-0.2 0.901 116.4 44.6 -73.5 -41.8 31.4 23.4 2.3 111 112 A A H X S+ 0 0 0 -4,-2.6 4,-1.9 -5,-0.3 5,-0.2 0.942 114.0 50.5 -67.9 -45.4 28.1 23.0 4.1 112 113 A A H X S+ 0 0 9 -4,-2.4 4,-1.1 -5,-0.3 -2,-0.2 0.918 109.9 49.6 -59.3 -44.1 29.0 25.7 6.7 113 114 A W H >< S+ 0 0 162 -4,-1.9 3,-0.5 -5,-0.2 4,-0.2 0.923 112.8 48.0 -60.9 -42.7 29.9 28.2 3.9 114 115 A A H 3< S+ 0 0 23 -4,-1.9 3,-0.3 1,-0.2 -1,-0.2 0.775 114.8 45.3 -68.8 -27.3 26.7 27.5 2.1 115 116 A M H >< S+ 0 0 0 -4,-1.9 3,-2.3 1,-0.2 -1,-0.2 0.542 83.4 99.2 -92.9 -8.4 24.6 27.8 5.2 116 117 A R T << S+ 0 0 57 -4,-1.1 -1,-0.2 -3,-0.5 -2,-0.1 0.668 86.4 42.4 -56.3 -23.0 26.2 31.0 6.5 117 118 A E T 3 S+ 0 0 153 -3,-0.3 -1,-0.3 -4,-0.2 -2,-0.1 0.233 82.7 132.7-107.7 12.3 23.5 33.4 5.2 118 119 A N < - 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f 0 231A 0 54,-3.1 56,-2.2 -2,-0.5 -42,-0.2 -0.840 14.9-156.6-113.0 92.2 31.3 8.6 18.8 177 178 A P E - f 0 232A 7 0, 0.0 -42,-2.0 0, 0.0 -41,-0.3 -0.319 4.5-153.4 -68.7 150.6 29.5 5.3 18.1 178 179 A G - 0 0 4 54,-2.5 2,-0.8 -44,-0.2 55,-0.1 0.357 66.1 -17.4 -90.2-130.4 30.6 2.1 19.9 179 180 A L S S+ 0 0 1 54,-0.3 28,-3.0 26,-0.1 2,-0.2 -0.688 80.9 141.0 -87.5 111.0 30.0 -1.2 18.1 180 181 A F - 0 0 0 -2,-0.8 2,-1.9 26,-0.2 5,-0.4 -0.749 68.2 -76.1-131.4 178.6 27.3 -1.0 15.4 181 182 A D S S+ 0 0 82 26,-0.5 -168,-0.2 -2,-0.2 -2,-0.0 -0.599 85.9 127.8 -82.1 82.4 27.0 -2.5 11.9 182 183 A T S > S- 0 0 17 -2,-1.9 4,-3.0 -170,-0.1 3,-0.5 -0.742 80.3 -83.0-130.1 176.6 29.6 -0.2 10.3 183 184 A P H > S+ 0 0 52 0, 0.0 4,-1.4 0, 0.0 -107,-0.2 0.814 125.2 62.8 -52.2 -30.3 32.7 -0.6 8.2 184 185 A L H 4 S+ 0 0 14 2,-0.2 3,-0.3 1,-0.2 -3,-0.1 0.963 112.9 32.1 -58.8 -53.8 34.6 -1.2 11.4 185 186 A L H >4 S+ 0 0 6 -3,-0.5 3,-2.1 -5,-0.4 -1,-0.2 0.888 113.2 62.7 -70.7 -41.7 32.7 -4.4 12.2 186 187 A Q H 3< S+ 0 0 97 -4,-3.0 -1,-0.2 1,-0.3 -2,-0.2 0.739 96.6 59.5 -57.6 -25.8 32.2 -5.3 8.5 187 188 A G T 3< S+ 0 0 57 -4,-1.4 -1,-0.3 -3,-0.3 -2,-0.1 0.325 96.0 80.6 -88.2 10.1 36.0 -5.6 8.0 188 189 A L S < S- 0 0 30 -3,-2.1 2,-0.1 1,-0.0 -3,-0.0 -0.826 78.5-114.9-117.7 154.7 36.3 -8.3 10.7 189 190 A P > - 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