==== 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 TRANSFERASE 03-MAR-05 1Z1F . COMPND 2 MOLECULE: STILBENE SYNTHASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ARACHIS HYPOGAEA; . AUTHOR Y.SHOMURA,I.TORAYAMA,D.Y.SUH,T.XIANG,A.KITA,U.SANKAWA,K.MIKI . 388 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16442.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 285 73.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 19 4.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 56 14.4 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 . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 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 . 32 8.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 38 9.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 125 32.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 1.5 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 0 2 0 2 2 1 1 1 0 0 1 1 0 0 0 0 0 0 0 0 0 0 1 0 0 0 RESIDUES PER ALPHA HELIX . 1 0 1 0 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 PARALLEL BRIDGES PER LADDER . 2 2 1 1 0 1 0 2 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 . 2 0 0 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 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 V 0 0 195 0, 0.0 2,-0.7 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 -47.4 36.9 64.5 -18.8 2 3 A S >> - 0 0 51 1,-0.1 4,-2.5 2,-0.0 3,-1.3 -0.851 360.0-171.2-108.9 99.4 38.6 64.4 -15.3 3 4 A V H 3> S+ 0 0 122 -2,-0.7 4,-1.1 1,-0.3 -1,-0.1 0.711 94.5 59.5 -58.3 -15.3 37.6 61.4 -13.3 4 5 A S H 3> S+ 0 0 73 2,-0.2 4,-1.6 3,-0.1 -1,-0.3 0.810 106.6 42.3 -81.1 -35.1 39.5 63.3 -10.7 5 6 A G H <> S+ 0 0 26 -3,-1.3 4,-1.4 2,-0.2 -2,-0.2 0.870 111.7 53.2 -79.6 -39.8 37.2 66.3 -10.9 6 7 A I H X S+ 0 0 87 -4,-2.5 4,-2.0 1,-0.2 3,-0.3 0.913 111.0 49.2 -58.8 -43.4 34.0 64.4 -11.1 7 8 A R H X S+ 0 0 66 -4,-1.1 4,-1.0 -5,-0.3 3,-0.2 0.951 106.7 54.5 -60.1 -53.3 35.1 62.6 -7.9 8 9 A K H < S+ 0 0 147 -4,-1.6 -1,-0.2 1,-0.2 -2,-0.2 0.738 117.2 36.1 -53.8 -30.5 36.0 65.8 -6.1 9 10 A V H < S+ 0 0 102 -4,-1.4 -1,-0.2 -3,-0.3 -2,-0.2 0.698 112.9 54.9 -99.0 -24.4 32.5 67.2 -6.6 10 11 A Q H < S+ 0 0 101 -4,-2.0 171,-2.8 -3,-0.2 2,-0.3 0.477 87.3 97.1 -90.6 -1.5 30.3 64.1 -6.3 11 12 A R S < S- 0 0 109 -4,-1.0 169,-0.3 169,-0.3 168,-0.2 -0.662 75.2-117.6 -93.6 143.5 31.5 63.0 -2.9 12 13 A A - 0 0 6 -2,-0.3 169,-0.2 166,-0.2 -1,-0.1 -0.051 19.7-150.5 -62.2 176.8 29.7 63.8 0.4 13 14 A E + 0 0 144 167,-0.1 -1,-0.1 2,-0.1 165,-0.1 0.690 64.6 44.9-123.9 -35.7 31.7 65.9 2.9 14 15 A G S S- 0 0 23 1,-0.1 2,-0.2 3,-0.0 211,-0.1 -0.269 92.7 -71.1-102.0-170.5 30.7 65.0 6.4 15 16 A P - 0 0 52 0, 0.0 211,-0.5 0, 0.0 -1,-0.1 -0.495 56.9 -89.3 -84.0 154.1 30.1 61.7 8.3 16 17 A A E -A 225 0A 0 222,-0.4 222,-2.7 209,-0.2 2,-0.4 -0.333 50.5-164.1 -58.2 138.1 27.1 59.4 7.8 17 18 A T E -AB 224 237A 1 207,-0.6 207,-2.3 220,-0.2 2,-0.6 -0.995 22.8-129.7-136.2 136.6 24.2 60.5 10.1 18 19 A V E +AB 223 236A 0 218,-2.5 217,-3.3 -2,-0.4 218,-1.0 -0.730 30.4 172.6 -81.2 118.6 21.0 58.8 11.2 19 20 A L E + 0 0 3 203,-2.5 214,-0.3 -2,-0.6 2,-0.3 0.603 58.5 4.3-105.5 -18.4 18.2 61.3 10.5 20 21 A A E -A 222 0A 0 202,-0.9 202,-1.6 212,-0.1 2,-0.3 -0.985 56.2-159.0-161.9 160.0 15.0 59.3 11.3 21 22 A I E +A 221 0A 4 -2,-0.3 2,-0.3 200,-0.2 200,-0.2 -0.996 8.1 178.5-147.5 147.2 13.8 55.9 12.5 22 23 A G E -A 220 0A 3 198,-1.8 198,-2.7 -2,-0.3 2,-0.3 -0.991 4.0-174.9-148.1 147.3 10.6 53.9 12.2 23 24 A T E +A 219 0A 23 -2,-0.3 2,-0.3 196,-0.2 196,-0.2 -0.993 7.7 164.8-146.1 151.0 9.5 50.5 13.5 24 25 A A E -A 218 0A 8 194,-1.5 194,-3.2 -2,-0.3 84,-0.1 -0.973 8.4-171.8-161.2 152.1 6.5 48.2 13.2 25 26 A N - 0 0 21 -2,-0.3 192,-0.1 192,-0.3 44,-0.1 -0.873 44.5 -68.0-141.6 172.6 5.7 44.5 13.9 26 27 A P - 0 0 3 0, 0.0 43,-0.2 0, 0.0 190,-0.1 -0.496 47.9-125.5 -65.1 131.0 2.9 42.0 13.3 27 28 A P S S+ 0 0 109 0, 0.0 2,-0.6 0, 0.0 43,-0.1 0.810 84.0 101.2 -43.7 -40.2 -0.0 43.1 15.5 28 29 A N - 0 0 64 41,-0.2 41,-2.9 40,-0.1 2,-0.5 -0.348 57.4-165.3 -58.8 102.6 -0.1 39.6 17.1 29 30 A C E -J 68 0B 69 -2,-0.6 2,-0.5 39,-0.2 39,-0.2 -0.773 3.9-156.6 -91.6 129.3 1.5 39.8 20.5 30 31 A V E -J 67 0B 18 37,-2.8 37,-0.8 -2,-0.5 2,-0.3 -0.930 14.4-129.5-111.4 123.6 2.4 36.4 22.1 31 32 A D E > -J 66 0B 74 -2,-0.5 3,-0.7 35,-0.2 35,-0.2 -0.525 8.8-154.3 -74.7 130.2 2.8 36.2 25.9 32 33 A Q G >> S+ 0 0 5 33,-1.5 3,-1.8 -2,-0.3 4,-0.6 0.873 87.8 63.5 -69.4 -43.7 6.0 34.5 27.1 33 34 A S G 34 S+ 0 0 88 32,-0.3 -1,-0.2 1,-0.3 27,-0.1 0.475 116.6 32.8 -64.7 -0.4 4.7 33.2 30.5 34 35 A T G <> S+ 0 0 75 -3,-0.7 4,-1.7 2,-0.1 -1,-0.3 0.184 91.9 96.5-137.8 12.1 2.3 31.0 28.6 35 36 A Y H <> S+ 0 0 3 -3,-1.8 4,-3.6 2,-0.2 5,-0.3 0.905 73.9 62.2 -73.5 -42.6 4.2 30.2 25.5 36 37 A A H X S+ 0 0 0 -4,-0.6 4,-2.1 1,-0.2 -1,-0.2 0.890 110.3 42.6 -50.5 -42.5 5.6 26.8 26.6 37 38 A D H > S+ 0 0 82 2,-0.2 4,-1.4 1,-0.2 -1,-0.2 0.954 115.1 48.2 -69.1 -50.8 2.1 25.5 26.8 38 39 A Y H X S+ 0 0 37 -4,-1.7 4,-2.3 1,-0.2 3,-0.4 0.935 113.9 48.3 -52.9 -50.9 0.9 27.1 23.6 39 40 A Y H X S+ 0 0 0 -4,-3.6 4,-0.9 1,-0.2 -1,-0.2 0.930 112.3 45.3 -57.5 -53.4 3.9 25.8 21.7 40 41 A F H <>S+ 0 0 0 -4,-2.1 5,-2.2 -5,-0.3 6,-0.4 0.685 113.7 55.2 -67.7 -15.0 3.7 22.2 22.9 41 42 A R H <5S+ 0 0 115 -4,-1.4 3,-0.4 -3,-0.4 -2,-0.2 0.934 108.2 41.2 -82.2 -52.0 -0.0 22.4 22.2 42 43 A V H <5S+ 0 0 21 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.1 0.541 118.6 49.1 -75.0 -7.7 -0.1 23.4 18.5 43 44 A T T <5S- 0 0 19 -4,-0.9 -1,-0.2 -5,-0.2 -2,-0.2 0.597 105.6-131.4-101.8 -18.4 2.8 21.1 17.8 44 45 A N T 5 + 0 0 130 -4,-0.4 -3,-0.2 -3,-0.4 3,-0.2 0.932 66.0 131.5 65.5 48.9 1.1 18.2 19.6 45 46 A S > < + 0 0 8 -5,-2.2 3,-2.0 1,-0.1 7,-0.1 -0.051 22.9 124.6-116.2 25.6 4.2 17.3 21.6 46 47 A E G > + 0 0 76 -6,-0.4 3,-0.5 1,-0.3 -1,-0.1 0.828 64.4 63.8 -56.4 -35.1 2.2 17.2 24.8 47 48 A H G 3 S+ 0 0 144 1,-0.3 -1,-0.3 -3,-0.2 3,-0.3 0.611 80.6 84.1 -67.0 -10.4 3.4 13.6 25.6 48 49 A M G X> + 0 0 25 -3,-2.0 4,-1.7 1,-0.2 3,-0.8 -0.000 59.3 162.9 -82.8 31.9 6.9 15.1 25.9 49 50 A T H <> + 0 0 88 -3,-0.5 4,-1.8 1,-0.3 -1,-0.2 0.642 68.7 45.5 -16.3 -56.8 6.0 15.9 29.5 50 51 A D H 3> S+ 0 0 114 -3,-0.3 4,-2.8 1,-0.2 3,-0.3 0.973 111.1 49.8 -61.6 -57.3 9.7 16.4 30.5 51 52 A L H <> S+ 0 0 6 -3,-0.8 4,-1.5 1,-0.2 -1,-0.2 0.828 109.5 56.5 -51.1 -34.1 10.7 18.5 27.5 52 53 A K H X S+ 0 0 50 -4,-1.7 4,-1.4 2,-0.2 -1,-0.2 0.931 108.4 42.5 -65.8 -49.5 7.7 20.7 28.2 53 54 A K H >X S+ 0 0 117 -4,-1.8 4,-2.2 -3,-0.3 3,-0.7 0.942 114.2 54.3 -61.3 -45.3 8.6 21.5 31.8 54 55 A K H 3X S+ 0 0 104 -4,-2.8 4,-1.9 1,-0.3 -1,-0.2 0.816 105.9 53.5 -57.3 -33.2 12.1 22.0 30.6 55 56 A F H 3X S+ 0 0 0 -4,-1.5 4,-2.7 -5,-0.3 -1,-0.3 0.791 105.4 51.4 -75.8 -28.5 10.8 24.4 28.0 56 57 A Q H < S+ 0 0 131 -4,-2.8 3,-1.5 1,-0.2 4,-0.3 0.999 110.2 43.4 -64.3 -66.1 11.2 31.8 32.1 61 62 A R T 3< S+ 0 0 144 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.471 91.1 98.2 -60.4 4.1 14.9 32.6 32.3 62 63 A T T 3 S- 0 0 10 -3,-0.5 244,-0.4 -4,-0.4 -1,-0.3 0.840 81.3-142.5 -61.9 -35.8 14.4 34.0 28.8 63 64 A Q < + 0 0 73 -3,-1.5 2,-0.4 -4,-0.3 271,-0.1 0.635 63.2 120.4 78.5 14.4 14.1 37.6 30.1 64 65 A I + 0 0 11 -5,-0.5 -1,-0.3 -4,-0.3 267,-0.2 -0.940 35.9 174.2-114.4 133.4 11.4 38.1 27.4 65 66 A K + 0 0 113 266,-2.5 -33,-1.5 -2,-0.4 -32,-0.3 0.685 68.0 15.3-107.7 -27.6 7.9 39.1 28.3 66 67 A N E -J 31 0B 24 265,-2.2 -1,-0.3 264,-0.3 2,-0.3 -0.978 53.6-176.3-148.4 157.6 6.4 39.7 24.9 67 68 A R E -J 30 0B 1 -37,-0.8 -37,-2.8 -2,-0.3 2,-0.4 -0.933 23.8-131.3-156.6 130.3 7.1 39.0 21.2 68 69 A H E -J 29 0B 26 148,-0.4 148,-2.7 265,-0.4 2,-0.4 -0.684 31.1-177.4 -84.1 136.3 5.2 40.0 18.0 69 70 A M - 0 0 10 -41,-2.9 -41,-0.2 -2,-0.4 123,-0.1 -0.983 31.4-160.2-141.7 129.9 4.5 37.1 15.7 70 71 A Y S S+ 0 0 35 -2,-0.4 5,-0.2 -43,-0.1 -1,-0.1 0.939 78.0 87.0 -65.7 -48.6 2.9 36.9 12.2 71 72 A L - 0 0 6 4,-0.1 2,-0.3 3,-0.1 -2,-0.0 -0.314 65.2-171.5 -56.8 125.0 2.4 33.2 12.7 72 73 A T > - 0 0 40 -2,-0.1 4,-2.5 1,-0.0 5,-0.2 -0.783 41.3-104.2-118.0 162.9 -0.9 32.6 14.5 73 74 A E T 4 S+ 0 0 85 -2,-0.3 4,-0.4 1,-0.2 -2,-0.1 0.680 126.0 50.5 -59.2 -14.7 -2.5 29.5 16.0 74 75 A E T >> S+ 0 0 101 2,-0.2 4,-1.8 3,-0.1 3,-1.1 0.922 107.8 48.0 -85.8 -53.1 -4.7 29.6 12.9 75 76 A I T 34 S+ 0 0 23 1,-0.3 -2,-0.2 2,-0.2 -1,-0.1 0.797 110.7 55.0 -56.2 -30.1 -1.9 30.0 10.3 76 77 A L T 3< S+ 0 0 6 -4,-2.5 3,-0.4 1,-0.2 -1,-0.3 0.775 103.4 55.3 -76.0 -26.0 -0.2 27.1 12.1 77 78 A K T <4 S+ 0 0 140 -3,-1.1 -2,-0.2 -4,-0.4 -1,-0.2 0.926 105.9 48.9 -70.7 -46.2 -3.3 24.9 11.7 78 79 A E S < S+ 0 0 127 -4,-1.8 -1,-0.2 1,-0.3 -2,-0.2 0.448 113.0 56.2 -72.3 0.5 -3.4 25.3 7.9 79 80 A N >> + 0 0 31 -3,-0.4 3,-1.5 -5,-0.2 4,-0.5 -0.523 55.5 160.2-136.3 71.0 0.3 24.4 8.0 80 81 A P H >> S+ 0 0 91 0, 0.0 3,-1.4 0, 0.0 4,-1.2 0.851 75.5 63.6 -57.0 -38.6 0.9 21.1 9.7 81 82 A N H 34 S+ 0 0 85 1,-0.3 6,-0.2 2,-0.2 8,-0.1 0.702 101.3 52.5 -61.4 -20.0 4.3 20.7 8.0 82 83 A M H <4 S+ 0 0 0 -3,-1.5 -1,-0.3 -6,-0.2 7,-0.1 0.608 104.8 53.6 -91.3 -14.2 5.5 23.8 9.9 83 84 A C H << S+ 0 0 13 -3,-1.4 -2,-0.2 -4,-0.5 -1,-0.2 0.677 93.5 87.6 -90.9 -21.5 4.4 22.5 13.3 84 85 A A S < S- 0 0 37 -4,-1.2 115,-2.0 114,-0.1 3,-0.3 -0.356 87.8-119.4 -73.6 157.6 6.4 19.3 12.9 85 86 A Y S S+ 0 0 60 1,-0.3 2,-0.5 113,-0.3 -1,-0.1 0.997 99.1 3.7 -59.0 -66.0 10.0 19.2 13.9 86 87 A K S S+ 0 0 95 112,-0.1 -1,-0.3 2,-0.0 -4,-0.1 -0.977 85.5 136.1-127.1 115.9 11.3 18.4 10.4 87 88 A A - 0 0 13 -2,-0.5 2,-0.1 -3,-0.3 -3,-0.0 -0.952 63.4 -85.3-159.0 139.5 8.9 18.2 7.5 88 89 A P S S+ 0 0 90 0, 0.0 172,-0.3 0, 0.0 -7,-0.1 -0.249 73.7 126.1 -49.6 112.8 8.9 19.6 3.9 89 90 A S > + 0 0 8 170,-2.5 4,-2.4 -2,-0.1 5,-0.3 0.285 20.9 117.7-155.1 7.9 7.7 23.1 4.2 90 91 A L H > S+ 0 0 39 169,-2.1 4,-2.7 1,-0.2 5,-0.2 0.901 80.3 51.7 -49.7 -48.7 10.2 25.4 2.6 91 92 A D H > S+ 0 0 125 168,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.907 111.2 45.5 -58.2 -46.9 7.7 26.6 -0.0 92 93 A A H > S+ 0 0 33 2,-0.2 4,-1.4 1,-0.2 5,-0.2 0.949 114.8 47.5 -62.8 -49.3 5.0 27.5 2.5 93 94 A R H X S+ 0 0 0 -4,-2.4 4,-2.6 1,-0.2 3,-0.3 0.906 111.7 50.5 -57.4 -47.4 7.4 29.3 4.8 94 95 A E H X S+ 0 0 12 -4,-2.7 4,-3.5 -5,-0.3 5,-0.2 0.890 106.5 55.0 -60.8 -40.7 9.1 31.3 2.0 95 96 A D H X S+ 0 0 96 -4,-2.0 4,-1.3 -5,-0.2 -1,-0.2 0.812 111.9 42.6 -64.3 -30.9 5.7 32.4 0.6 96 97 A M H X S+ 0 0 11 -4,-1.4 4,-3.5 -3,-0.3 5,-0.4 0.895 115.3 51.6 -77.8 -42.2 4.7 33.9 4.0 97 98 A M H X S+ 0 0 0 -4,-2.6 4,-2.3 1,-0.2 -2,-0.2 0.917 112.5 44.8 -56.2 -50.8 8.3 35.3 4.3 98 99 A I H < S+ 0 0 49 -4,-3.5 -1,-0.2 2,-0.2 -2,-0.2 0.833 119.7 40.8 -65.6 -36.5 8.1 36.9 0.9 99 100 A R H X S+ 0 0 131 -4,-1.3 4,-0.9 -5,-0.2 -2,-0.2 0.939 123.6 35.8 -79.0 -49.1 4.6 38.3 1.4 100 101 A E H X S+ 0 0 17 -4,-3.5 4,-2.4 2,-0.2 5,-0.3 0.835 107.4 63.7 -75.8 -36.5 5.0 39.5 5.0 101 102 A V H X S+ 0 0 0 -4,-2.3 4,-2.0 -5,-0.4 -3,-0.2 0.951 110.0 36.4 -56.3 -55.8 8.6 40.7 5.0 102 103 A P H > S+ 0 0 0 0, 0.0 4,-2.1 0, 0.0 -1,-0.2 0.881 114.3 60.4 -64.9 -36.8 8.2 43.6 2.5 103 104 A R H X S+ 0 0 89 -4,-0.9 4,-1.0 1,-0.2 -2,-0.2 0.934 111.3 36.2 -56.1 -52.0 4.8 44.3 3.9 104 105 A V H X S+ 0 0 4 -4,-2.4 4,-1.8 1,-0.2 -1,-0.2 0.828 111.8 61.1 -73.6 -31.5 6.0 45.1 7.4 105 106 A G H X S+ 0 0 0 -4,-2.0 4,-2.1 -5,-0.3 -1,-0.2 0.869 102.9 52.3 -62.2 -36.0 9.2 46.7 6.1 106 107 A K H X S+ 0 0 66 -4,-2.1 4,-2.6 2,-0.2 -1,-0.2 0.830 104.6 54.8 -68.3 -34.7 7.0 49.3 4.3 107 108 A E H X S+ 0 0 63 -4,-1.0 4,-1.4 2,-0.2 -1,-0.2 0.895 111.0 46.0 -65.8 -39.5 5.1 50.1 7.5 108 109 A A H X S+ 0 0 0 -4,-1.8 4,-1.7 2,-0.2 112,-0.3 0.900 112.6 50.8 -68.3 -41.6 8.4 50.8 9.2 109 110 A A H X S+ 0 0 0 -4,-2.1 4,-3.3 2,-0.2 5,-0.3 0.906 105.0 55.4 -62.7 -46.3 9.6 52.9 6.3 110 111 A T H X S+ 0 0 64 -4,-2.6 4,-2.5 1,-0.2 -1,-0.2 0.911 109.2 47.6 -53.7 -46.4 6.5 55.0 6.1 111 112 A K H X S+ 0 0 110 -4,-1.4 4,-1.9 2,-0.2 -1,-0.2 0.879 113.8 47.6 -62.8 -41.3 6.9 56.1 9.7 112 113 A A H X S+ 0 0 0 -4,-1.7 4,-2.9 2,-0.2 -2,-0.2 0.933 113.9 46.6 -65.3 -49.0 10.6 56.8 9.2 113 114 A I H X S+ 0 0 18 -4,-3.3 4,-1.8 2,-0.2 5,-0.2 0.843 108.8 54.9 -63.2 -37.4 9.9 58.8 6.0 114 115 A K H < S+ 0 0 175 -4,-2.5 -1,-0.2 -5,-0.3 -2,-0.2 0.945 112.2 44.6 -61.6 -45.5 7.1 60.7 7.7 115 116 A E H < S+ 0 0 71 -4,-1.9 -2,-0.2 1,-0.2 -1,-0.2 0.974 108.5 54.8 -59.7 -58.8 9.6 61.7 10.4 116 117 A W H < S- 0 0 9 -4,-2.9 -1,-0.2 1,-0.2 -2,-0.2 0.827 94.6-152.0 -43.5 -37.9 12.4 62.6 8.0 117 118 A G < + 0 0 58 -4,-1.8 -1,-0.2 1,-0.3 -3,-0.1 0.324 51.4 118.1 80.0 -9.2 9.9 64.9 6.4 118 119 A Q S S- 0 0 49 -5,-0.2 -1,-0.3 1,-0.1 2,-0.1 -0.437 72.1 -93.9 -89.3 164.5 11.5 64.7 2.9 119 120 A P > - 0 0 66 0, 0.0 3,-1.7 0, 0.0 4,-0.2 -0.470 28.5-124.0 -74.0 146.8 10.0 63.4 -0.3 120 121 A M G > S+ 0 0 68 1,-0.3 3,-3.7 2,-0.2 30,-0.3 0.880 106.3 76.2 -55.8 -39.4 10.7 59.7 -1.2 121 122 A S G 3 S+ 0 0 82 1,-0.3 -1,-0.3 28,-0.1 29,-0.0 0.748 86.7 62.9 -42.2 -29.7 12.1 60.9 -4.5 122 123 A K G < S+ 0 0 113 -3,-1.7 2,-0.6 61,-0.0 62,-0.4 0.599 74.0 105.7 -76.1 -14.1 15.2 61.9 -2.5 123 124 A I < + 0 0 3 -3,-3.7 27,-0.3 -4,-0.2 62,-0.2 -0.596 42.6 174.1 -71.9 116.4 16.0 58.3 -1.4 124 125 A T + 0 0 48 60,-1.5 30,-2.5 -2,-0.6 2,-0.3 0.789 59.1 32.4 -94.4 -33.9 19.0 57.4 -3.5 125 126 A H E -cd 154 185A 5 59,-1.1 61,-1.6 28,-0.2 2,-0.4 -0.864 60.7-157.5-125.1 159.3 19.9 54.0 -2.1 126 127 A L E -cd 155 186A 0 28,-2.7 30,-1.5 -2,-0.3 2,-0.6 -0.986 4.0-172.0-140.2 124.8 18.0 51.1 -0.6 127 128 A I E -cd 156 187A 0 59,-2.9 61,-2.8 -2,-0.4 2,-0.6 -0.956 7.8-172.1-117.9 109.1 19.4 48.4 1.8 128 129 A F E -cd 157 188A 0 28,-1.2 30,-2.2 -2,-0.6 2,-0.6 -0.915 2.8-174.7-106.7 118.9 17.0 45.6 2.5 129 130 A C E +cd 158 189A 1 59,-3.0 61,-0.8 -2,-0.6 2,-0.3 -0.897 15.5 151.1-118.8 106.7 18.2 43.2 5.1 130 131 A T E -c 159 0A 0 28,-1.5 30,-0.8 -2,-0.6 31,-0.5 -0.910 49.4-128.0-130.1 155.8 16.1 40.1 5.8 131 132 A T S S- 0 0 22 59,-0.5 2,-0.3 -2,-0.3 29,-0.2 0.825 84.9 -34.2 -71.1 -30.7 16.9 36.6 7.1 132 133 A S + 0 0 2 27,-0.1 -1,-0.1 1,-0.1 60,-0.0 -0.944 62.7 134.3-168.6-168.6 15.1 35.1 4.1 133 134 A G - 0 0 0 -2,-0.3 2,-0.4 -3,-0.1 6,-0.4 0.741 45.0-155.8 107.4 60.8 12.2 35.1 1.6 134 135 A V + 0 0 65 4,-0.1 2,-0.3 5,-0.1 -36,-0.1 -0.569 31.7 135.9 -77.7 120.8 14.1 34.3 -1.6 135 136 A A - 0 0 33 -2,-0.4 4,-0.2 -37,-0.0 0, 0.0 -0.972 51.0-100.8-156.9 152.0 12.5 35.5 -4.9 136 137 A L S S+ 0 0 157 -2,-0.3 2,-0.2 2,-0.1 -2,-0.0 -0.972 117.4 35.2-128.2 116.7 13.8 37.1 -8.1 137 138 A P S S- 0 0 79 0, 0.0 -1,-0.1 0, 0.0 5,-0.1 0.509 115.2-131.4 -60.6 151.5 13.3 40.0 -8.2 138 139 A G >> - 0 0 12 -2,-0.2 4,-1.2 1,-0.1 3,-0.9 0.018 24.4 -82.6 -75.2-179.5 13.9 40.0 -4.5 139 140 A V H 3> S+ 0 0 3 -6,-0.4 4,-2.1 1,-0.3 5,-0.1 0.791 125.3 62.3 -49.8 -35.8 12.0 41.5 -1.5 140 141 A D H 3> S+ 0 0 9 1,-0.2 4,-2.5 2,-0.2 -1,-0.3 0.930 98.8 56.4 -59.5 -44.4 13.7 44.8 -2.1 141 142 A Y H <> S+ 0 0 112 -3,-0.9 4,-2.1 1,-0.2 -1,-0.2 0.938 107.2 47.8 -50.9 -52.9 11.9 45.0 -5.4 142 143 A E H X S+ 0 0 68 -4,-1.2 4,-2.9 1,-0.2 5,-0.3 0.899 108.9 54.4 -56.6 -42.5 8.5 44.6 -3.7 143 144 A L H X S+ 0 0 0 -4,-2.1 4,-2.8 1,-0.2 5,-0.3 0.902 105.2 53.6 -59.5 -43.3 9.5 47.3 -1.2 144 145 A I H X>S+ 0 0 22 -4,-2.5 4,-2.4 2,-0.2 5,-1.8 0.946 114.1 42.5 -56.9 -49.1 10.2 49.7 -4.0 145 146 A V H <5S+ 0 0 74 -4,-2.1 3,-0.5 2,-0.2 -2,-0.2 0.995 115.3 46.3 -60.2 -66.8 6.8 49.0 -5.5 146 147 A L H <5S+ 0 0 63 -4,-2.9 -2,-0.2 1,-0.3 -1,-0.2 0.876 122.7 37.7 -41.6 -49.7 4.8 49.1 -2.2 147 148 A L H <5S- 0 0 9 -4,-2.8 -1,-0.3 -5,-0.3 -2,-0.2 0.764 105.4-127.3 -77.7 -27.4 6.5 52.2 -1.1 148 149 A G T <5 + 0 0 52 -4,-2.4 -3,-0.2 -3,-0.5 -4,-0.1 0.832 43.6 172.8 82.0 33.6 6.7 53.9 -4.5 149 150 A L < - 0 0 13 -5,-1.8 -28,-0.1 -6,-0.3 -1,-0.1 -0.116 42.7 -76.7 -66.9 171.3 10.4 54.5 -4.5 150 151 A D > - 0 0 63 -27,-0.3 3,-1.5 -30,-0.3 -1,-0.1 -0.413 34.9-125.7 -71.0 145.8 12.3 55.9 -7.6 151 152 A P T 3 S+ 0 0 124 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.558 108.8 52.9 -69.8 -3.0 13.0 53.3 -10.3 152 153 A S T 3 S+ 0 0 90 2,-0.1 2,-0.2 -27,-0.0 -2,-0.1 0.185 72.7 133.6-115.9 16.4 16.7 54.3 -10.2 153 154 A V < - 0 0 8 -3,-1.5 2,-0.5 1,-0.1 -28,-0.2 -0.506 63.1-118.4 -66.4 130.6 17.3 53.8 -6.5 154 155 A K E -c 125 0A 119 -30,-2.5 -28,-2.7 -2,-0.2 2,-0.2 -0.649 36.1-151.4 -76.5 120.1 20.5 51.8 -6.0 155 156 A R E -c 126 0A 130 -2,-0.5 2,-0.3 -30,-0.2 -28,-0.2 -0.619 20.9-171.1 -98.0 152.4 19.6 48.5 -4.3 156 157 A Y E -c 127 0A 64 -30,-1.5 -28,-1.2 -2,-0.2 2,-1.1 -0.754 10.8-160.9-143.2 89.6 21.5 46.3 -1.9 157 158 A M E -c 128 0A 48 -2,-0.3 2,-1.1 -30,-0.2 -28,-0.2 -0.600 5.9-169.6 -79.3 96.5 19.7 43.0 -1.1 158 159 A M E -c 129 0A 45 -30,-2.2 -28,-1.5 -2,-1.1 3,-0.3 -0.727 13.2-178.0 -90.6 99.2 21.3 41.5 2.0 159 160 A Y E -c 130 0A 39 -2,-1.1 -28,-0.2 1,-0.2 -27,-0.1 -0.699 56.8 -4.5 -99.6 150.6 19.9 38.0 2.4 160 161 A H S S+ 0 0 97 -30,-0.8 -1,-0.2 -2,-0.3 -29,-0.2 0.814 78.2 148.2 39.3 53.4 20.6 35.4 5.1 161 162 A Q - 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