==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-AUG-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 05-MAR-12 4E0U . COMPND 2 MOLECULE: CYCLIC DIPEPTIDE N-PRENYLTRANSFERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ASPERGILLUS FUMIGATUS; . AUTHOR J.M.SCHULLER,G.ZOCHER,T.STEHLE . 818 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 33873.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 578 70.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 6 0.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 136 16.6 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 . 4 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.2 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 . 45 5.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 80 9.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 277 33.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 20 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 0 2 2 4 2 0 2 2 4 2 6 0 0 2 0 0 2 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 3 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 PARALLEL BRIDGES PER LADDER . 2 0 0 9 3 2 1 5 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 1 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 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 33 A P 0 0 181 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 160.4 15.2 1.9 12.4 2 34 A I - 0 0 141 1,-0.1 4,-0.0 2,-0.1 0, 0.0 -0.304 360.0-130.9 -58.7 114.4 12.7 1.2 9.4 3 35 A P > - 0 0 61 0, 0.0 3,-1.8 0, 0.0 -1,-0.1 -0.261 16.0-117.1 -67.2 153.0 13.1 -2.4 8.2 4 36 A K T 3 S+ 0 0 67 1,-0.3 3,-0.4 2,-0.1 34,-0.1 0.843 114.3 51.8 -57.7 -34.9 13.5 -3.2 4.5 5 37 A D T >> + 0 0 21 1,-0.2 4,-2.1 2,-0.1 3,-1.4 0.120 67.0 129.1 -94.5 24.5 10.3 -5.2 4.5 6 38 A I H <> + 0 0 64 -3,-1.8 4,-2.3 1,-0.3 -1,-0.2 0.783 69.6 60.1 -44.5 -34.3 8.2 -2.4 6.1 7 39 A A H 3> S+ 0 0 0 -3,-0.4 4,-2.3 2,-0.2 -1,-0.3 0.856 105.9 46.3 -69.7 -36.0 5.6 -2.8 3.2 8 40 A Y H <> S+ 0 0 28 -3,-1.4 4,-2.3 2,-0.2 -2,-0.2 0.931 113.2 49.6 -64.9 -49.1 5.0 -6.5 4.2 9 41 A H H X S+ 0 0 83 -4,-2.1 4,-0.8 1,-0.2 -2,-0.2 0.890 113.7 47.3 -58.0 -35.4 4.7 -5.5 7.9 10 42 A T H >< S+ 0 0 54 -4,-2.3 3,-0.8 -5,-0.2 -2,-0.2 0.936 111.7 46.7 -74.2 -50.0 2.2 -2.8 6.9 11 43 A L H >X S+ 0 0 22 -4,-2.3 4,-2.1 1,-0.3 3,-2.0 0.848 104.3 63.5 -63.0 -32.6 0.0 -4.8 4.7 12 44 A T H 3< S+ 0 0 49 -4,-2.3 -1,-0.3 1,-0.3 -2,-0.2 0.857 97.6 57.4 -58.4 -33.4 -0.0 -7.6 7.3 13 45 A K T << S+ 0 0 188 -4,-0.8 -1,-0.3 -3,-0.8 -2,-0.2 0.518 117.9 32.1 -73.5 -3.4 -1.8 -5.0 9.6 14 46 A A T <4 S+ 0 0 77 -3,-2.0 2,-0.3 -4,-0.2 -2,-0.2 0.620 94.5 89.1-127.5 -22.6 -4.6 -4.7 7.0 15 47 A L < - 0 0 36 -4,-2.1 2,-0.6 2,-0.0 37,-0.0 -0.667 52.8-156.5 -89.7 139.2 -5.2 -7.9 5.0 16 48 A L - 0 0 170 -2,-0.3 -3,-0.0 -3,-0.0 -4,-0.0 -0.942 9.7-155.3-111.9 110.8 -7.7 -10.6 6.1 17 49 A F - 0 0 41 -2,-0.6 3,-0.0 1,-0.1 38,-0.0 -0.691 9.2-146.4 -85.9 135.8 -6.9 -14.0 4.7 18 50 A P S S+ 0 0 107 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.664 78.3 27.9 -75.9 -16.7 -9.9 -16.3 4.5 19 51 A D S > S- 0 0 69 1,-0.1 4,-2.0 -3,-0.0 3,-0.4 -0.988 78.0-114.3-147.5 158.9 -7.9 -19.4 5.2 20 52 A I H > S+ 0 0 113 -2,-0.3 4,-2.5 1,-0.2 5,-0.1 0.753 111.1 56.4 -60.7 -31.3 -4.7 -20.7 7.0 21 53 A D H > S+ 0 0 29 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.882 107.4 46.4 -73.6 -41.9 -2.9 -21.7 3.8 22 54 A Q H > S+ 0 0 24 -3,-0.4 4,-2.8 2,-0.2 -2,-0.2 0.941 113.1 52.4 -61.3 -46.2 -3.2 -18.3 2.2 23 55 A Y H X S+ 0 0 123 -4,-2.0 4,-2.5 1,-0.2 -2,-0.2 0.937 111.2 45.7 -51.7 -51.2 -2.0 -16.8 5.5 24 56 A Q H X S+ 0 0 62 -4,-2.5 4,-1.7 1,-0.2 -1,-0.2 0.910 111.5 51.1 -68.3 -41.1 1.0 -19.1 5.5 25 57 A H H X S+ 0 0 1 -4,-2.7 4,-2.1 2,-0.2 5,-0.4 0.912 109.5 52.4 -59.5 -42.8 1.8 -18.5 1.9 26 58 A W H X S+ 0 0 0 -4,-2.8 4,-2.4 1,-0.2 3,-0.4 0.972 112.4 43.1 -53.6 -56.1 1.7 -14.7 2.6 27 59 A H H < S+ 0 0 52 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.767 116.5 50.6 -68.0 -18.7 4.1 -14.9 5.5 28 60 A H H < S+ 0 0 48 -4,-1.7 4,-0.2 -5,-0.2 -1,-0.2 0.823 124.9 20.4 -83.3 -35.3 6.3 -17.3 3.6 29 61 A V H X S+ 0 0 0 -4,-2.1 4,-2.1 -3,-0.4 5,-0.2 0.784 108.5 69.6-105.2 -37.2 6.7 -15.3 0.3 30 62 A A H X S+ 0 0 0 -4,-2.4 4,-3.1 -5,-0.4 5,-0.2 0.804 91.2 58.9 -68.9 -36.3 5.9 -11.6 1.0 31 63 A P H > S+ 0 0 22 0, 0.0 4,-1.8 0, 0.0 -1,-0.2 0.968 114.1 36.6 -52.4 -56.3 8.9 -10.7 3.2 32 64 A M H > S+ 0 0 10 -4,-0.2 4,-2.4 1,-0.2 -2,-0.2 0.834 116.3 55.0 -67.7 -35.7 11.4 -11.6 0.5 33 65 A L H X S+ 0 0 1 -4,-2.1 4,-2.0 2,-0.2 -1,-0.2 0.942 107.0 50.6 -61.2 -44.7 9.1 -10.2 -2.2 34 66 A A H X S+ 0 0 0 -4,-3.1 4,-1.4 1,-0.2 -2,-0.2 0.903 110.9 49.5 -59.7 -41.1 8.9 -6.9 -0.4 35 67 A K H X S+ 0 0 18 -4,-1.8 4,-2.5 2,-0.2 -1,-0.2 0.923 108.0 51.5 -67.9 -43.7 12.7 -6.8 -0.2 36 68 A M H X S+ 0 0 0 -4,-2.4 4,-2.4 1,-0.2 -1,-0.2 0.874 107.6 53.5 -60.7 -38.9 13.3 -7.5 -3.9 37 69 A L H <>S+ 0 0 0 -4,-2.0 5,-1.9 2,-0.2 -1,-0.2 0.851 109.8 48.2 -66.4 -32.3 10.9 -4.7 -4.9 38 70 A V H ><5S+ 0 0 49 -4,-1.4 3,-1.5 -3,-0.2 -2,-0.2 0.948 111.9 49.7 -69.4 -44.1 12.9 -2.3 -2.7 39 71 A D H 3<5S+ 0 0 18 -4,-2.5 -2,-0.2 1,-0.3 -1,-0.2 0.857 106.2 55.5 -62.2 -40.4 16.2 -3.5 -4.2 40 72 A G T 3<5S- 0 0 1 -4,-2.4 54,-0.4 -5,-0.2 -1,-0.3 0.442 114.8-114.3 -76.7 1.1 14.9 -3.1 -7.8 41 73 A K T < 5 + 0 0 153 -3,-1.5 2,-0.2 1,-0.2 -3,-0.2 0.839 53.1 167.1 73.2 34.5 14.0 0.6 -7.2 42 74 A Y < - 0 0 7 -5,-1.9 -1,-0.2 1,-0.1 5,-0.1 -0.595 43.7-101.3 -74.6 142.4 10.3 0.2 -7.6 43 75 A S > - 0 0 58 -2,-0.2 4,-2.0 1,-0.1 5,-0.1 -0.233 30.1-110.9 -57.5 153.9 8.3 3.2 -6.4 44 76 A I H > S+ 0 0 83 2,-0.2 4,-1.9 1,-0.2 5,-0.2 0.900 120.6 51.2 -53.3 -40.6 6.7 2.9 -3.0 45 77 A H H > S+ 0 0 150 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.957 108.4 48.5 -65.1 -50.1 3.4 2.9 -4.7 46 78 A Q H > S+ 0 0 21 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.791 107.5 59.1 -62.4 -25.7 4.3 0.1 -7.2 47 79 A Q H X S+ 0 0 17 -4,-2.0 4,-2.0 2,-0.2 -1,-0.2 0.937 109.9 40.7 -66.0 -50.1 5.7 -1.9 -4.1 48 80 A Y H X S+ 0 0 66 -4,-1.9 4,-2.6 2,-0.2 5,-0.3 0.890 111.4 59.1 -62.6 -40.8 2.3 -1.9 -2.4 49 81 A E H X S+ 0 0 110 -4,-2.6 4,-2.2 1,-0.2 -2,-0.2 0.955 112.8 37.0 -52.9 -53.4 0.5 -2.5 -5.8 50 82 A Y H X S+ 0 0 4 -4,-2.0 4,-2.1 2,-0.2 -1,-0.2 0.810 115.8 50.9 -77.8 -32.5 2.4 -5.8 -6.4 51 83 A L H X S+ 0 0 0 -4,-2.0 4,-2.3 2,-0.2 -1,-0.2 0.934 114.5 46.1 -64.8 -45.0 2.5 -7.0 -2.8 52 84 A C H X S+ 0 0 43 -4,-2.6 4,-2.8 2,-0.2 5,-0.2 0.903 111.0 52.0 -64.6 -38.1 -1.2 -6.5 -2.6 53 85 A L H X>S+ 0 0 20 -4,-2.2 4,-3.1 -5,-0.3 5,-1.0 0.918 107.3 53.6 -65.0 -40.5 -1.7 -8.1 -6.0 54 86 A F H X>S+ 0 0 4 -4,-2.1 5,-2.4 3,-0.2 4,-1.2 0.964 112.1 44.7 -54.1 -52.6 0.3 -11.1 -4.7 55 87 A A H <5S+ 0 0 1 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.924 121.5 37.5 -58.1 -47.5 -2.1 -11.3 -1.7 56 88 A Q H <5S+ 0 0 127 -4,-2.8 -1,-0.2 -5,-0.1 -2,-0.2 0.808 131.7 19.2 -79.0 -34.4 -5.3 -10.9 -3.7 57 89 A L H <5S+ 0 0 7 -4,-3.1 -3,-0.2 -5,-0.2 -2,-0.1 0.794 127.5 35.2-111.2 -42.6 -4.6 -12.8 -6.9 58 90 A V T >< - 0 0 46 -2,-1.9 3,-2.2 1,-0.1 0, 0.0 -0.364 48.7 -75.1 -59.9 144.9 4.0 -28.7 5.6 68 100 A P T 3 S+ 0 0 131 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.139 118.9 9.9 -47.7 127.6 6.4 -31.7 6.0 69 101 A G T 3 S+ 0 0 85 1,-0.3 2,-0.4 -3,-0.1 -2,-0.1 0.466 91.8 140.0 82.6 3.3 4.6 -35.0 5.7 70 102 A R < - 0 0 100 -3,-2.2 2,-1.7 1,-0.1 -1,-0.3 -0.684 55.2-129.1 -86.8 131.1 1.4 -33.4 4.5 71 103 A D + 0 0 149 -2,-0.4 2,-0.3 -3,-0.1 -1,-0.1 -0.572 58.4 126.1 -85.7 80.8 -0.3 -35.4 1.8 72 104 A V S S- 0 0 18 -2,-1.7 2,-0.1 -8,-0.0 36,-0.1 -0.881 71.1 -74.9-133.1 166.4 -1.0 -32.7 -0.9 73 105 A Y - 0 0 20 -2,-0.3 2,-0.3 32,-0.1 35,-0.1 -0.399 58.6-145.6 -61.5 125.9 -0.3 -32.1 -4.6 74 106 A R - 0 0 97 -2,-0.1 96,-0.4 94,-0.1 2,-0.3 -0.721 21.4-178.0-106.1 149.4 3.4 -31.3 -4.8 75 107 A C - 0 0 4 5,-0.4 8,-0.1 -2,-0.3 7,-0.1 -0.884 23.6-140.2-134.2 167.7 5.3 -29.0 -7.0 76 108 A T > + 0 0 48 -2,-0.3 3,-1.9 4,-0.2 6,-0.2 0.306 53.2 129.0-117.8 9.1 9.1 -28.2 -7.2 77 109 A L B 3> S+B 81 0B 0 4,-1.2 4,-2.7 1,-0.3 6,-0.5 -0.429 85.8 11.0 -64.3 137.4 9.1 -24.5 -7.8 78 110 A G T 34 S- 0 0 0 1,-0.3 328,-1.9 2,-0.2 2,-0.5 0.681 137.6 -65.5 65.3 18.9 11.5 -22.8 -5.3 79 111 A G T <4 S+ 0 0 25 -3,-1.9 -1,-0.3 326,-0.2 -2,-0.1 -0.452 127.2 5.6 102.7 -56.9 12.7 -26.3 -4.5 80 112 A N T 4 S+ 0 0 86 -3,-0.5 -5,-0.4 -2,-0.5 -2,-0.2 0.216 109.4 85.4-145.6 15.4 9.5 -27.7 -2.9 81 113 A M B < S-B 77 0B 6 -4,-2.7 -4,-1.2 2,-0.2 -2,-0.2 -0.501 76.8-116.5-116.9 177.9 6.6 -25.2 -3.3 82 114 A T S S+ 0 0 9 -20,-0.2 19,-2.0 -2,-0.2 2,-0.3 0.202 98.5 55.8 -95.5 13.5 4.0 -24.1 -5.8 83 115 A V E -C 100 0C 0 -6,-0.5 2,-0.3 17,-0.2 17,-0.2 -0.999 58.2-178.1-149.4 146.1 5.7 -20.6 -6.1 84 116 A E E -C 99 0C 3 15,-2.8 15,-3.2 -2,-0.3 2,-0.2 -0.978 14.0-146.8-152.0 127.7 9.2 -19.2 -6.9 85 117 A L E +C 98 0C 1 -2,-0.3 319,-1.9 319,-0.3 2,-0.3 -0.605 19.1 176.9 -89.0 151.5 10.8 -15.8 -7.0 86 118 A S E -CD 97 403C 6 11,-2.1 11,-2.8 -2,-0.2 2,-0.4 -0.978 15.4-145.9-151.1 164.3 13.5 -14.7 -9.4 87 119 A Q E -CD 96 402C 1 315,-1.9 315,-2.3 -2,-0.3 2,-0.4 -0.993 5.9-146.8-140.3 128.6 15.3 -11.4 -10.1 88 120 A N E -CD 95 401C 5 7,-3.1 7,-1.9 -2,-0.4 2,-0.4 -0.796 12.5-160.5-100.1 136.8 16.7 -10.0 -13.4 89 121 A F E +CD 94 400C 6 311,-3.2 311,-1.7 -2,-0.4 2,-0.3 -0.978 23.1 148.8-119.8 129.1 19.9 -7.9 -13.3 90 122 A Q E > -C 93 0C 32 3,-1.4 3,-0.9 -2,-0.4 309,-0.1 -0.914 59.9-101.0-147.0 168.7 20.8 -5.6 -16.2 91 123 A R T 3 S+ 0 0 75 305,-0.5 -1,-0.1 307,-0.3 3,-0.1 0.948 123.7 55.7 -57.4 -46.6 22.6 -2.3 -16.8 92 124 A S T 3 S- 0 0 95 304,-0.2 2,-0.3 1,-0.2 -1,-0.2 0.587 123.7 -91.4 -65.1 -13.0 19.2 -0.6 -17.0 93 125 A G E < -C 90 0C 23 -3,-0.9 -3,-1.4 2,-0.0 2,-0.3 -0.854 48.3 -52.4 136.9-166.4 18.3 -2.0 -13.5 94 126 A S E -C 89 0C 7 -54,-0.4 2,-0.4 -2,-0.3 -5,-0.2 -0.886 37.6-169.8-116.6 144.6 16.7 -4.9 -11.6 95 127 A T E -C 88 0C 29 -7,-1.9 -7,-3.1 -2,-0.3 2,-0.3 -0.982 13.8-139.3-132.4 139.9 13.2 -6.5 -12.0 96 128 A T E -CE 87 179C 0 83,-0.6 83,-2.1 -2,-0.4 2,-0.3 -0.765 17.9-172.9 -97.7 146.8 11.4 -9.1 -9.9 97 129 A R E -CE 86 178C 10 -11,-2.8 -11,-2.1 -2,-0.3 2,-0.4 -0.971 10.2-155.4-133.2 153.7 9.4 -12.0 -11.3 98 130 A I E -CE 85 177C 5 79,-1.7 79,-2.3 -2,-0.3 2,-0.3 -0.970 9.4-170.2-133.2 118.4 7.2 -14.5 -9.6 99 131 A A E +CE 84 176C 8 -15,-3.2 -15,-2.8 -2,-0.4 2,-0.3 -0.791 16.2 157.3-105.6 148.4 6.5 -18.0 -11.1 100 132 A F E -CE 83 175C 0 75,-2.8 75,-3.1 -2,-0.3 -17,-0.2 -0.985 41.9-119.3-163.3 160.4 3.9 -20.4 -9.7 101 133 A E - 0 0 0 -19,-2.0 73,-0.1 -2,-0.3 2,-0.0 -0.931 35.5-130.6-104.2 107.5 1.6 -23.3 -10.5 102 134 A P + 0 0 2 0, 0.0 2,-0.3 0, 0.0 17,-0.3 -0.401 44.1 160.3 -53.3 129.9 -2.0 -22.3 -10.1 103 135 A V B -a 62 0A 3 -42,-2.5 -40,-0.7 15,-0.2 2,-0.3 -0.987 28.5-157.0-154.1 148.2 -3.5 -25.0 -8.0 104 136 A R > - 0 0 34 -2,-0.3 3,-2.4 -42,-0.1 4,-0.3 -0.879 39.9-102.7-122.9 160.6 -6.6 -25.6 -5.8 105 137 A Y G > S+ 0 0 145 -2,-0.3 3,-1.8 1,-0.3 4,-0.4 0.705 111.5 77.6 -54.6 -23.7 -7.0 -28.1 -3.0 106 138 A Q G > >S+ 0 0 28 1,-0.3 5,-1.9 2,-0.2 3,-0.7 0.751 84.1 63.3 -60.5 -25.0 -9.2 -30.2 -5.3 107 139 A A G < 5S+ 0 0 7 -3,-2.4 -1,-0.3 1,-0.2 3,-0.2 0.740 104.5 47.6 -69.7 -21.6 -6.0 -31.5 -6.9 108 140 A S G < 5S+ 0 0 31 -3,-1.8 -1,-0.2 -4,-0.3 -2,-0.2 0.493 110.0 52.8 -90.1 -7.7 -4.9 -33.0 -3.6 109 141 A V T < 5S- 0 0 88 -3,-0.7 -2,-0.2 -4,-0.4 -1,-0.2 0.245 118.8 -90.9-128.4 14.0 -8.2 -34.7 -2.8 110 142 A G T 5S+ 0 0 65 -4,-0.3 -3,-0.1 -3,-0.2 -4,-0.1 0.440 98.5 103.8 97.6 4.3 -9.1 -36.8 -5.9 111 143 A H S > S+ 0 0 9 2,-0.1 4,-1.7 1,-0.1 3,-0.7 0.799 90.0 72.7 -93.9 -34.6 -8.9 -26.3 -14.1 118 150 A S H 3> S+ 0 0 2 1,-0.3 4,-2.5 2,-0.2 -15,-0.2 0.828 93.3 55.7 -57.3 -35.5 -7.0 -24.1 -11.7 119 151 A V H 3> S+ 0 0 3 -17,-0.3 4,-2.9 1,-0.2 -1,-0.3 0.897 107.2 51.2 -64.9 -37.2 -5.1 -22.1 -14.3 120 152 A N H <> S+ 0 0 12 -3,-0.7 4,-1.4 -4,-0.3 -1,-0.2 0.890 109.6 49.6 -64.0 -39.4 -8.5 -21.3 -15.9 121 153 A A H X S+ 0 0 12 -4,-1.7 4,-0.6 2,-0.2 -2,-0.2 0.934 112.6 49.1 -64.0 -42.9 -9.8 -20.0 -12.6 122 154 A F H >X S+ 0 0 1 -4,-2.5 4,-2.8 1,-0.2 3,-1.3 0.918 107.6 50.8 -64.5 -49.5 -6.6 -18.0 -12.2 123 155 A F H 3X S+ 0 0 0 -4,-2.9 4,-2.4 1,-0.3 -1,-0.2 0.826 103.8 61.8 -58.9 -30.3 -6.7 -16.3 -15.6 124 156 A S H 3< S+ 0 0 4 -4,-1.4 -1,-0.3 -5,-0.2 -2,-0.2 0.705 112.7 36.1 -70.3 -20.0 -10.3 -15.3 -14.9 125 157 A Q H XX S+ 0 0 92 -3,-1.3 3,-1.3 -4,-0.6 4,-1.2 0.834 114.3 55.1 -93.0 -47.4 -9.2 -13.2 -11.9 126 158 A L H >X S+ 0 0 0 -4,-2.8 4,-2.3 1,-0.3 3,-0.9 0.916 103.9 55.8 -47.2 -51.3 -5.9 -12.0 -13.4 127 159 A Q H 3< S+ 0 0 35 -4,-2.4 -1,-0.3 1,-0.3 -3,-0.1 0.650 100.8 59.0 -64.1 -19.0 -7.7 -10.6 -16.5 128 160 A L H <4 S+ 0 0 21 -3,-1.3 -1,-0.3 -5,-0.2 -2,-0.2 0.865 115.1 34.9 -70.8 -37.7 -10.0 -8.5 -14.2 129 161 A L H << S+ 0 0 103 -4,-1.2 2,-0.5 -3,-0.9 -2,-0.2 0.789 122.3 39.9 -88.7 -31.1 -6.9 -6.7 -12.7 130 162 A V >< - 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