==== 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 30-MAR-99 1CML . COMPND 2 MOLECULE: PROTEIN (CHALCONE SYNTHASE); . SOURCE 2 ORGANISM_SCIENTIFIC: MEDICAGO SATIVA; . AUTHOR J.-L.FERRER,J.JEZ,M.E.BOWMAN,R.DIXON,J.P.NOEL . 389 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16955.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 284 73.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 22 5.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 54 13.9 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 . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.3 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 . 21 5.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 42 10.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 126 32.4 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 1 0 2 2 1 1 0 1 1 1 0 1 0 0 0 0 0 0 0 0 0 1 0 0 0 RESIDUES PER ALPHA HELIX . 2 0 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 PARALLEL BRIDGES PER LADDER . 1 1 1 0 0 1 1 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 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 0 233 0, 0.0 2,-0.2 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -61.0 58.1 72.5 82.7 2 2 A V - 0 0 97 1,-0.1 2,-0.6 4,-0.0 0, 0.0 -0.507 360.0-138.0 -72.9 135.6 56.3 71.3 79.6 3 3 A S > - 0 0 40 -2,-0.2 4,-1.5 1,-0.2 5,-0.1 -0.838 13.5-169.9 -95.1 118.8 53.9 73.7 77.9 4 4 A V H > S+ 0 0 112 -2,-0.6 4,-3.2 1,-0.2 5,-0.2 0.859 89.5 59.9 -73.9 -31.5 50.6 72.2 76.8 5 5 A S H > S+ 0 0 84 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.917 106.4 47.1 -58.1 -44.9 49.9 75.4 74.8 6 6 A E H > S+ 0 0 142 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.889 112.7 48.5 -65.4 -38.3 53.0 74.9 72.8 7 7 A I H X S+ 0 0 81 -4,-1.5 4,-1.6 2,-0.2 -2,-0.2 0.956 112.2 49.3 -66.1 -47.1 52.2 71.2 72.1 8 8 A R H X S+ 0 0 63 -4,-3.2 4,-1.1 1,-0.2 3,-0.3 0.914 110.6 49.6 -59.1 -44.5 48.6 72.1 71.1 9 9 A K H < S+ 0 0 159 -4,-2.2 3,-0.3 1,-0.2 -1,-0.2 0.879 115.4 44.1 -62.2 -38.9 49.8 74.8 68.7 10 10 A A H < S+ 0 0 64 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.672 110.8 55.6 -76.5 -25.5 52.3 72.4 67.1 11 11 A Q H < S+ 0 0 91 -4,-1.6 171,-2.6 -3,-0.3 -1,-0.2 0.674 92.2 81.0 -84.4 -24.5 49.9 69.5 66.9 12 12 A R S < S- 0 0 124 -4,-1.1 169,-0.2 169,-0.3 168,-0.2 -0.509 71.9-122.6 -91.3 159.7 47.0 71.0 64.9 13 13 A A - 0 0 13 166,-1.0 169,-0.2 -2,-0.2 -1,-0.1 -0.287 13.2-145.1 -87.9 174.9 46.5 71.6 61.2 14 14 A E + 0 0 174 167,-0.1 -1,-0.1 2,-0.1 165,-0.1 0.804 64.7 49.1-114.3 -39.0 45.8 75.0 59.7 15 15 A G S S- 0 0 21 1,-0.2 3,-0.1 3,-0.0 -2,-0.1 -0.371 90.4 -67.6-100.2-177.4 43.4 74.8 56.7 16 16 A P - 0 0 50 0, 0.0 211,-0.4 0, 0.0 -1,-0.2 -0.318 56.0 -98.3 -69.7 140.5 40.0 73.2 55.8 17 17 A A - 0 0 0 222,-0.3 222,-3.0 209,-0.1 2,-0.4 -0.402 48.9-161.0 -56.7 130.4 39.7 69.5 55.6 18 18 A T E -AB 225 238A 1 207,-2.4 207,-2.6 220,-0.2 2,-0.6 -0.967 21.8-127.8-125.5 138.8 39.9 68.7 51.9 19 19 A I E +AB 224 237A 0 218,-3.1 217,-2.4 -2,-0.4 218,-1.1 -0.747 30.7 174.1 -81.1 120.7 38.8 65.6 49.8 20 20 A L E + 0 0 2 203,-3.1 214,-0.4 -2,-0.6 2,-0.3 0.415 60.6 10.2-109.2 -5.3 42.0 64.6 47.8 21 21 A A E -A 223 0A 0 202,-0.8 202,-1.7 2,-0.0 2,-0.3 -0.935 55.2-164.0-171.8 142.5 40.9 61.4 46.1 22 22 A I E +A 222 0A 3 -2,-0.3 2,-0.3 200,-0.2 200,-0.2 -0.988 12.5 172.9-133.9 135.1 37.7 59.4 45.6 23 23 A G E -A 221 0A 5 198,-2.3 198,-3.2 -2,-0.3 2,-0.3 -0.989 8.1-167.5-141.1 142.5 37.5 55.7 44.5 24 24 A T E -A 220 0A 17 -2,-0.3 2,-0.3 196,-0.2 196,-0.2 -0.914 5.9-179.3-129.4 165.7 34.5 53.4 44.2 25 25 A A E -A 219 0A 3 194,-2.4 194,-2.8 -2,-0.3 80,-0.1 -0.988 3.3-170.5-158.3 154.4 33.8 49.7 43.7 26 26 A N - 0 0 32 -2,-0.3 192,-0.1 192,-0.2 44,-0.1 -0.987 38.0 -87.3-144.9 155.1 30.8 47.4 43.4 27 27 A P - 0 0 5 0, 0.0 44,-0.1 0, 0.0 190,-0.1 -0.215 42.2-119.6 -55.9 150.1 30.2 43.6 43.3 28 28 A A S S+ 0 0 102 41,-0.1 2,-0.9 43,-0.1 43,-0.1 0.741 85.8 97.0 -69.7 -23.0 30.5 42.2 39.8 29 29 A N - 0 0 58 41,-0.4 41,-2.5 1,-0.0 2,-0.6 -0.570 60.6-160.9 -75.7 105.6 26.9 40.9 39.5 30 30 A C E -I 69 0B 51 -2,-0.9 2,-0.7 39,-0.2 39,-0.2 -0.791 3.0-161.5 -93.0 117.8 24.9 43.5 37.7 31 31 A V E -I 68 0B 18 37,-3.5 37,-1.7 -2,-0.6 2,-0.1 -0.870 11.4-138.7-106.7 111.8 21.1 43.1 38.3 32 32 A E E -I 67 0B 78 -2,-0.7 35,-0.3 35,-0.2 3,-0.2 -0.418 2.3-148.0 -66.3 141.7 18.8 44.7 35.8 33 33 A Q S > S+ 0 0 6 33,-2.8 3,-2.0 1,-0.2 34,-0.1 0.886 91.3 68.0 -78.3 -31.9 15.7 46.4 37.3 34 34 A S T 3 S+ 0 0 85 32,-0.5 -1,-0.2 1,-0.3 4,-0.2 0.829 112.6 31.0 -55.6 -38.3 13.5 45.7 34.4 35 35 A T T 3> S+ 0 0 83 -3,-0.2 4,-1.9 1,-0.1 -1,-0.3 0.253 93.2 99.7-100.2 3.6 13.5 42.0 35.1 36 36 A Y H <> S+ 0 0 2 -3,-2.0 4,-3.7 1,-0.2 5,-0.4 0.921 74.1 57.9 -67.0 -40.7 13.9 42.1 38.9 37 37 A P H > S+ 0 0 0 0, 0.0 4,-2.4 0, 0.0 5,-0.3 0.933 110.9 44.8 -53.1 -46.5 10.3 41.5 39.9 38 38 A D H > S+ 0 0 95 1,-0.2 4,-1.7 2,-0.2 -2,-0.2 0.940 117.0 45.3 -63.7 -46.0 10.3 38.2 38.0 39 39 A F H X S+ 0 0 43 -4,-1.9 4,-2.8 2,-0.2 -1,-0.2 0.918 114.8 46.8 -60.9 -50.9 13.7 37.2 39.4 40 40 A Y H X S+ 0 0 0 -4,-3.7 4,-1.6 1,-0.2 -2,-0.2 0.919 113.2 47.1 -65.3 -38.3 12.9 38.2 43.0 41 41 A F H <>S+ 0 0 0 -4,-2.4 5,-3.0 -5,-0.4 6,-0.5 0.830 115.6 47.4 -73.0 -26.7 9.5 36.5 43.1 42 42 A K H ><5S+ 0 0 96 -4,-1.7 3,-1.4 -5,-0.3 -2,-0.2 0.925 111.6 47.8 -79.3 -41.3 11.0 33.4 41.6 43 43 A I H 3<5S+ 0 0 21 -4,-2.8 -2,-0.2 1,-0.3 -1,-0.2 0.796 114.6 46.8 -70.9 -25.4 14.0 33.2 43.9 44 44 A T T 3<5S- 0 0 11 -4,-1.6 -1,-0.3 -5,-0.2 -2,-0.2 0.226 111.6-119.5 -97.1 11.4 11.9 33.7 47.0 45 45 A N T < 5S+ 0 0 131 -3,-1.4 -3,-0.2 1,-0.1 3,-0.2 0.899 76.1 126.3 50.9 47.5 9.3 31.1 45.9 46 46 A S > < + 0 0 6 -5,-3.0 3,-1.5 -6,-0.2 7,-0.2 0.121 17.3 120.1-122.3 25.9 6.6 33.8 45.9 47 47 A E T 3 S+ 0 0 118 -6,-0.5 -1,-0.1 1,-0.3 -5,-0.1 0.776 72.7 61.4 -62.9 -25.4 5.1 33.4 42.4 48 48 A H T 3 S+ 0 0 141 1,-0.2 2,-2.3 -3,-0.2 -1,-0.3 0.714 81.1 86.2 -72.2 -21.5 1.7 32.6 43.8 49 49 A K <> + 0 0 67 -3,-1.5 4,-2.6 1,-0.2 -1,-0.2 -0.412 57.8 164.1 -81.3 74.2 1.6 36.0 45.6 50 50 A T H > + 0 0 85 -2,-2.3 4,-2.2 1,-0.2 -1,-0.2 0.895 67.5 44.6 -63.2 -51.9 0.1 37.6 42.4 51 51 A E H > S+ 0 0 139 -3,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.904 114.6 50.6 -65.9 -34.2 -1.2 40.9 43.9 52 52 A L H > S+ 0 0 6 2,-0.2 4,-2.4 1,-0.2 -2,-0.2 0.931 108.2 52.4 -69.4 -39.9 2.0 41.4 45.9 53 53 A K H X S+ 0 0 40 -4,-2.6 4,-2.5 1,-0.2 -1,-0.2 0.918 107.4 52.8 -61.2 -41.1 4.1 40.8 42.8 54 54 A E H X S+ 0 0 91 -4,-2.2 4,-1.9 1,-0.2 -1,-0.2 0.902 109.1 49.3 -60.4 -41.6 2.1 43.5 40.9 55 55 A K H X S+ 0 0 69 -4,-1.8 4,-2.4 2,-0.2 -2,-0.2 0.890 111.1 49.6 -62.9 -38.2 2.8 46.0 43.8 56 56 A F H X S+ 0 0 0 -4,-2.4 4,-2.9 2,-0.2 5,-0.2 0.885 107.0 55.1 -69.8 -38.4 6.5 45.1 43.6 57 57 A Q H X S+ 0 0 58 -4,-2.5 4,-2.9 2,-0.2 -2,-0.2 0.927 109.3 47.8 -56.7 -43.0 6.4 45.6 39.8 58 58 A R H X S+ 0 0 136 -4,-1.9 4,-2.4 2,-0.2 -2,-0.2 0.940 110.6 51.6 -66.5 -37.7 5.0 49.1 40.4 59 59 A M H X S+ 0 0 44 -4,-2.4 4,-0.9 1,-0.2 -2,-0.2 0.927 113.2 44.5 -62.1 -46.1 7.7 49.8 43.0 60 60 A C H >< S+ 0 0 3 -4,-2.9 3,-0.8 1,-0.2 5,-0.4 0.923 111.8 52.5 -67.0 -39.8 10.4 48.8 40.6 61 61 A D H 3< S+ 0 0 96 -4,-2.9 3,-0.4 1,-0.3 -2,-0.2 0.870 115.4 41.0 -67.7 -29.0 8.9 50.8 37.7 62 62 A K H 3< S+ 0 0 152 -4,-2.4 -1,-0.3 1,-0.2 -2,-0.2 0.568 92.2 89.4 -91.6 -5.3 8.7 53.9 39.9 63 63 A S S << S- 0 0 3 -4,-0.9 -1,-0.2 -3,-0.8 -2,-0.1 0.691 81.0-142.0 -60.4 -32.2 12.2 53.4 41.5 64 64 A M + 0 0 95 -3,-0.4 2,-0.5 -4,-0.4 271,-0.1 0.757 60.0 128.6 68.0 22.8 14.1 55.3 38.8 65 65 A I - 0 0 9 -5,-0.4 -1,-0.3 1,-0.1 267,-0.2 -0.948 38.5-176.2-105.8 125.5 16.8 52.6 39.2 66 66 A K - 0 0 115 266,-2.6 -33,-2.8 -2,-0.5 -32,-0.5 0.797 69.1 -10.7 -86.9 -37.4 18.0 50.9 36.0 67 67 A R E -I 32 0B 63 265,-1.7 -1,-0.3 -35,-0.3 2,-0.3 -0.973 55.2-158.5-157.2 160.2 20.4 48.4 37.6 68 68 A R E -I 31 0B 2 -37,-1.7 -37,-3.5 -2,-0.3 2,-0.5 -0.964 21.4-125.2-138.5 157.4 22.1 47.5 40.9 69 69 A Y E -I 30 0B 51 265,-0.5 148,-2.3 148,-0.4 2,-0.4 -0.901 31.3-171.2-106.1 128.3 25.2 45.5 41.8 70 70 A M - 0 0 8 -41,-2.5 -41,-0.4 -2,-0.5 123,-0.1 -0.984 31.9-157.2-128.0 132.4 24.7 42.7 44.2 71 71 A Y S S+ 0 0 60 -2,-0.4 2,-0.2 -44,-0.1 5,-0.1 0.899 83.0 85.4 -61.2 -43.3 27.0 40.4 46.1 72 72 A L - 0 0 5 -3,-0.1 2,-0.3 4,-0.1 -2,-0.1 -0.460 64.0-178.3 -62.7 130.9 24.1 38.0 46.3 73 73 A T > - 0 0 41 -2,-0.2 4,-2.8 1,-0.1 5,-0.2 -0.792 43.7-100.7-120.1 173.2 23.6 35.8 43.3 74 74 A E H > S+ 0 0 108 -2,-0.3 4,-2.4 1,-0.2 5,-0.2 0.923 123.8 51.4 -62.1 -43.0 21.1 33.2 42.2 75 75 A E H > S+ 0 0 126 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.936 111.4 45.9 -61.2 -46.4 23.6 30.5 43.3 76 76 A I H > S+ 0 0 32 1,-0.2 4,-0.6 2,-0.2 3,-0.3 0.918 113.2 49.8 -62.4 -43.9 24.2 32.0 46.8 77 77 A L H >< S+ 0 0 4 -4,-2.8 3,-1.1 1,-0.2 7,-0.2 0.900 106.9 54.9 -64.1 -38.4 20.4 32.5 47.3 78 78 A K H 3< S+ 0 0 135 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.802 107.8 50.7 -66.0 -27.4 19.7 28.9 46.3 79 79 A E H 3< S+ 0 0 114 -4,-1.4 -1,-0.3 -3,-0.3 -2,-0.2 0.572 112.5 50.2 -81.0 -10.0 22.2 27.8 49.0 80 80 A N XX + 0 0 33 -3,-1.1 3,-1.7 -4,-0.6 4,-1.1 -0.526 54.9 162.3-131.7 73.3 20.4 30.0 51.6 81 81 A P H 3> S+ 0 0 84 0, 0.0 4,-0.7 0, 0.0 3,-0.3 0.837 77.6 61.7 -59.7 -34.9 16.7 29.4 51.7 82 82 A N H 34 S+ 0 0 75 1,-0.2 6,-0.5 2,-0.2 -5,-0.0 0.693 102.5 51.9 -68.6 -18.9 16.4 31.0 55.1 83 83 A V H <4 S+ 0 0 2 -3,-1.7 -1,-0.2 -6,-0.2 117,-0.2 0.728 106.9 54.9 -80.3 -28.0 17.7 34.3 53.6 84 84 A C H < S+ 0 0 13 -4,-1.1 -2,-0.2 -3,-0.3 2,-0.2 0.609 93.1 85.2 -78.8 -13.7 15.0 34.0 50.9 85 85 A E S < S- 0 0 99 -4,-0.7 115,-1.3 115,-0.1 3,-0.4 -0.538 87.5-120.3 -81.2 160.7 12.2 33.7 53.4 86 86 A Y S S+ 0 0 37 113,-0.3 2,-0.2 1,-0.2 -1,-0.1 0.916 101.5 9.0 -64.4 -45.9 10.6 36.9 54.8 87 87 A M S S+ 0 0 89 112,-0.1 -1,-0.2 2,-0.0 -4,-0.1 -0.606 84.1 133.4-143.7 82.5 11.6 36.0 58.4 88 88 A A - 0 0 3 -6,-0.5 2,-0.1 -3,-0.4 -3,-0.1 -0.974 65.1 -88.5-130.0 149.7 13.8 33.0 59.1 89 89 A P S S+ 0 0 94 0, 0.0 172,-0.3 0, 0.0 171,-0.1 -0.285 72.5 129.9 -53.9 120.6 16.9 32.5 61.4 90 90 A S > + 0 0 10 170,-2.8 4,-2.5 169,-0.1 171,-0.2 0.344 21.5 111.3-163.9 3.2 19.7 33.6 59.1 91 91 A L H > S+ 0 0 34 169,-2.9 4,-3.2 1,-0.2 5,-0.3 0.873 80.5 54.9 -60.1 -38.1 22.0 36.1 60.8 92 92 A D H > S+ 0 0 128 168,-0.3 4,-2.4 1,-0.2 -1,-0.2 0.941 111.6 44.0 -61.9 -48.0 24.9 33.7 61.1 93 93 A A H > S+ 0 0 29 1,-0.2 4,-1.3 2,-0.2 -1,-0.2 0.901 116.0 47.5 -62.1 -41.9 24.8 33.0 57.3 94 94 A R H X S+ 0 0 0 -4,-2.5 4,-2.6 2,-0.2 3,-0.2 0.899 111.7 49.9 -65.4 -42.8 24.4 36.7 56.5 95 95 A Q H X S+ 0 0 35 -4,-3.2 4,-3.0 1,-0.2 5,-0.3 0.923 105.4 57.3 -61.6 -40.9 27.2 37.7 58.9 96 96 A D H < S+ 0 0 126 -4,-2.4 4,-0.5 -5,-0.3 -1,-0.2 0.872 111.7 43.8 -60.0 -33.4 29.5 35.1 57.3 97 97 A M H >X S+ 0 0 13 -4,-1.3 4,-2.9 -3,-0.2 3,-0.5 0.947 119.6 38.2 -72.6 -55.2 28.9 36.8 53.9 98 98 A V H 3X S+ 0 0 1 -4,-2.6 4,-2.1 1,-0.2 -2,-0.2 0.718 102.9 66.1 -79.8 -23.1 29.3 40.4 55.0 99 99 A V H 3< S+ 0 0 39 -4,-3.0 -1,-0.2 -5,-0.2 -3,-0.1 0.817 118.2 30.8 -63.3 -27.9 32.1 40.2 57.5 100 100 A V H <> S+ 0 0 97 -3,-0.5 4,-2.0 -4,-0.5 -2,-0.2 0.895 120.5 49.9 -93.1 -45.1 34.2 39.2 54.5 101 101 A E H X S+ 0 0 12 -4,-2.9 4,-2.9 1,-0.2 5,-0.4 0.843 103.1 59.9 -68.5 -35.2 32.5 41.1 51.7 102 102 A V H X S+ 0 0 2 -4,-2.1 4,-2.4 1,-0.2 -1,-0.2 0.965 113.7 35.3 -58.1 -54.9 32.5 44.5 53.5 103 103 A P H > S+ 0 0 5 0, 0.0 4,-2.5 0, 0.0 -1,-0.2 0.864 116.5 56.2 -67.5 -32.7 36.2 44.8 53.8 104 104 A R H X S+ 0 0 86 -4,-2.0 4,-1.6 2,-0.2 -2,-0.2 0.955 114.0 38.3 -63.7 -48.7 36.8 43.0 50.4 105 105 A L H X S+ 0 0 0 -4,-2.9 4,-2.1 2,-0.2 5,-0.2 0.911 115.0 54.3 -68.8 -36.2 34.8 45.6 48.6 106 106 A G H X S+ 0 0 0 -4,-2.4 4,-2.8 -5,-0.4 -2,-0.2 0.901 104.6 56.3 -64.4 -37.6 36.1 48.4 50.7 107 107 A K H X S+ 0 0 77 -4,-2.5 4,-2.7 2,-0.2 -1,-0.2 0.899 105.0 51.0 -60.8 -44.8 39.6 47.4 49.8 108 108 A E H X S+ 0 0 79 -4,-1.6 4,-1.8 1,-0.2 -1,-0.2 0.966 113.2 44.7 -59.4 -49.9 38.9 47.7 46.1 109 109 A A H X S+ 0 0 0 -4,-2.1 4,-2.3 1,-0.2 112,-0.2 0.927 113.4 51.3 -59.4 -44.7 37.5 51.2 46.5 110 110 A A H X S+ 0 0 0 -4,-2.8 4,-2.9 2,-0.2 5,-0.2 0.911 105.8 53.8 -61.5 -42.4 40.4 52.2 48.8 111 111 A V H X S+ 0 0 74 -4,-2.7 4,-2.7 1,-0.2 -1,-0.2 0.920 109.5 49.7 -58.3 -41.8 43.1 51.0 46.4 112 112 A K H X S+ 0 0 111 -4,-1.8 4,-2.1 -5,-0.2 -2,-0.2 0.936 112.5 46.5 -63.8 -41.6 41.6 53.2 43.7 113 113 A A H X S+ 0 0 0 -4,-2.3 4,-2.6 2,-0.2 -2,-0.2 0.902 112.4 50.1 -66.6 -42.5 41.5 56.2 46.0 114 114 A I H X S+ 0 0 22 -4,-2.9 4,-2.7 2,-0.2 5,-0.4 0.937 109.8 51.4 -65.1 -37.8 45.1 55.7 47.2 115 115 A K H < S+ 0 0 173 -4,-2.7 -2,-0.2 1,-0.2 -1,-0.2 0.906 111.4 47.2 -63.1 -44.0 46.3 55.4 43.6 116 116 A E H < S+ 0 0 69 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.932 110.0 52.5 -61.2 -47.8 44.5 58.6 42.7 117 117 A W H < S- 0 0 10 -4,-2.6 -2,-0.2 -5,-0.2 -1,-0.2 0.943 93.0-156.5 -54.3 -46.9 46.0 60.4 45.7 118 118 A G < + 0 0 54 -4,-2.7 -3,-0.1 1,-0.3 -1,-0.1 0.418 47.7 114.2 88.9 -1.3 49.4 59.2 44.6 119 119 A Q S S- 0 0 50 -5,-0.4 -1,-0.3 1,-0.1 2,-0.1 -0.580 77.3 -78.4-104.8 161.2 51.1 59.3 48.0 120 120 A P > - 0 0 73 0, 0.0 3,-2.2 0, 0.0 4,-0.1 -0.394 30.5-134.8 -54.5 135.9 52.5 56.5 50.2 121 121 A K G > S+ 0 0 85 1,-0.3 3,-1.9 2,-0.2 30,-0.4 0.725 102.7 74.6 -66.4 -16.5 49.9 54.5 52.1 122 122 A S G 3 S+ 0 0 52 1,-0.3 -1,-0.3 28,-0.1 28,-0.0 0.651 85.9 63.8 -67.7 -14.4 52.2 54.8 55.1 123 123 A K G < S+ 0 0 134 -3,-2.2 2,-0.7 61,-0.0 62,-0.3 0.455 73.7 109.1 -86.6 -3.6 51.2 58.5 55.3 124 124 A I < + 0 0 4 -3,-1.9 27,-0.3 1,-0.2 62,-0.2 -0.681 41.1 171.9 -73.8 118.8 47.6 57.4 56.1 125 125 A T + 0 0 44 60,-1.9 30,-2.6 -2,-0.7 2,-0.3 0.604 59.1 32.9-100.0 -24.6 47.2 58.4 59.8 126 126 A H E -cd 155 186A 5 59,-1.5 61,-2.6 28,-0.2 2,-0.4 -0.987 61.0-162.3-139.0 141.9 43.5 57.8 60.4 127 127 A L E -cd 156 187A 0 28,-2.7 30,-2.2 -2,-0.3 2,-0.5 -0.997 2.1-170.8-131.6 126.2 41.0 55.3 59.1 128 128 A I E -cd 157 188A 0 59,-2.9 61,-2.6 -2,-0.4 2,-0.4 -0.977 7.8-174.8-112.2 123.9 37.3 55.6 59.2 129 129 A V E -cd 158 189A 0 28,-2.3 30,-3.4 -2,-0.5 2,-0.4 -0.984 3.8-173.2-116.9 138.0 35.3 52.6 58.1 130 130 A C E +cd 159 190A 0 59,-2.8 61,-2.5 -2,-0.4 2,-0.3 -0.989 13.6 148.1-134.6 131.7 31.5 52.7 57.9 131 131 A T E -c 160 0A 0 28,-2.3 30,-1.0 -2,-0.4 31,-0.8 -0.988 36.3-161.3-155.2 153.7 28.9 50.0 57.2 132 132 A T S S+ 0 0 11 -2,-0.3 2,-0.8 29,-0.2 60,-0.1 0.169 76.5 92.0-108.8 6.1 25.4 49.0 58.1 133 133 A S S S- 0 0 3 58,-0.4 -31,-0.1 1,-0.1 -1,-0.1 -0.786 94.4 -37.8-111.8 99.9 26.1 45.4 57.0 134 134 A G - 0 0 2 -2,-0.8 27,-0.4 -32,-0.0 2,-0.3 0.034 55.2-127.7 77.5 163.5 27.2 43.2 59.8 135 135 A V + 0 0 52 25,-0.1 2,-0.3 -3,-0.1 -36,-0.1 -0.980 26.8 165.1-141.9 155.5 29.5 43.7 62.8 136 136 A D - 0 0 69 -2,-0.3 4,-0.2 -37,-0.0 0, 0.0 -0.968 34.7 -93.2-163.5 161.6 32.5 41.8 64.2 137 137 A M S S+ 0 0 170 -2,-0.3 2,-0.2 2,-0.1 -2,-0.0 -0.982 115.6 29.8-127.1 129.2 35.4 42.1 66.6 138 138 A P S S- 0 0 69 0, 0.0 -1,-0.1 0, 0.0 5,-0.0 0.636 112.6-134.9 -50.0 156.6 38.1 43.1 65.6 139 139 A G >> - 0 0 7 -2,-0.2 4,-2.2 1,-0.1 3,-0.5 -0.035 24.8 -84.1 -88.2-173.6 36.0 45.1 63.1 140 140 A A H 3> S+ 0 0 5 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.799 125.6 64.3 -63.5 -19.1 36.1 45.8 59.4 141 141 A D H 3> S+ 0 0 10 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.915 103.8 44.5 -68.9 -44.1 38.6 48.6 60.2 142 142 A Y H <> S+ 0 0 99 -3,-0.5 4,-2.2 2,-0.2 -2,-0.2 0.924 113.3 52.3 -65.4 -45.6 41.1 46.1 61.5 143 143 A Q H X S+ 0 0 49 -4,-2.2 4,-3.4 1,-0.2 -2,-0.2 0.928 110.7 46.3 -58.9 -42.2 40.5 43.9 58.4 144 144 A L H X S+ 0 0 0 -4,-2.7 4,-2.5 1,-0.2 6,-0.3 0.885 108.7 55.9 -70.3 -32.6 41.1 46.8 56.0 145 145 A T H X>S+ 0 0 16 -4,-2.1 5,-1.8 2,-0.2 4,-0.7 0.912 114.1 41.2 -57.9 -46.8 44.2 47.8 57.9 146 146 A K H ><5S+ 0 0 143 -4,-2.2 3,-0.7 3,-0.2 -2,-0.2 0.961 115.5 48.9 -67.1 -50.9 45.5 44.3 57.4 147 147 A L H 3<5S+ 0 0 71 -4,-3.4 -2,-0.2 1,-0.2 -1,-0.2 0.795 119.2 37.7 -58.1 -41.7 44.3 43.9 53.7 148 148 A L H 3<5S- 0 0 16 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.508 106.0-123.4 -85.8 -11.8 45.8 47.3 52.6 149 149 A G T <<5 + 0 0 32 -3,-0.7 -3,-0.2 -4,-0.7 -4,-0.1 0.885 47.2 170.6 65.1 44.3 48.9 47.0 54.7 150 150 A L < - 0 0 10 -5,-1.8 -28,-0.1 -6,-0.3 -1,-0.1 -0.321 48.0 -80.0 -74.2 165.9 48.3 50.3 56.5 151 151 A R > - 0 0 94 -30,-0.4 3,-1.9 -27,-0.3 -1,-0.1 -0.421 37.6-124.0 -65.4 147.8 50.6 51.1 59.5 152 152 A P T 3 S+ 0 0 107 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.738 109.7 60.0 -64.1 -21.2 49.5 49.2 62.6 153 153 A Y T 3 S+ 0 0 162 2,-0.1 2,-0.1 -27,-0.0 -2,-0.1 0.163 70.6 133.4 -94.7 14.6 49.3 52.6 64.4 154 154 A V < - 0 0 6 -3,-1.9 2,-0.7 1,-0.1 -28,-0.2 -0.455 64.4-118.7 -61.6 140.0 46.7 54.0 62.1 155 155 A K E -c 126 0A 115 -30,-2.6 -28,-2.7 -2,-0.1 2,-0.3 -0.775 36.6-152.6 -88.9 117.4 44.0 55.6 64.3 156 156 A R E -c 127 0A 111 -2,-0.7 2,-0.4 -30,-0.2 -28,-0.2 -0.615 23.6-172.0-106.4 145.0 40.8 53.8 63.6 157 157 A Y E -c 128 0A 67 -30,-2.2 -28,-2.3 -2,-0.3 2,-0.8 -0.942 12.9-162.6-130.6 103.6 37.1 54.8 63.8 158 158 A M E -c 129 0A 48 -2,-0.4 2,-0.9 -30,-0.2 -28,-0.2 -0.862 3.9-168.4 -99.4 106.8 34.8 51.9 63.3 159 159 A M E +c 130 0A 43 -30,-3.4 -28,-2.3 -2,-0.8 3,-0.3 -0.815 15.3 179.0 -99.4 100.9 31.3 53.1 62.5 160 160 A Y E +c 131 0A 51 -2,-0.9 -28,-0.2 -30,-0.2 -25,-0.1 -0.745 55.3 3.3-107.9 150.3 28.9 50.2 62.6 161 161 A Q S S+ 0 0 67 -30,-1.0 -29,-0.2 -27,-0.4 -1,-0.2 0.799 81.4 143.7 53.9 37.7 25.1 49.9 62.1 162 162 A Q - 0 0 44 -31,-0.8 3,-0.3 -3,-0.3 -30,-0.1 0.865 43.0-140.9 -77.8 -45.3 24.9 53.5 61.2 163 163 A G > - 0 0 4 1,-0.2 3,-1.8 2,-0.1 -1,-0.2 -0.343 40.8 -48.1 100.1 177.3 22.3 53.7 58.5 164 164 A A T > S+ 0 0 20 1,-0.3 3,-0.5 2,-0.1 209,-0.4 0.572 123.6 64.1 -71.8 -13.4 22.0 55.6 55.3 165 165 A F T >> S+ 0 0 22 -3,-0.3 3,-1.6 207,-0.3 4,-1.2 0.545 77.2 94.3 -82.0 -5.6 22.8 59.1 56.6 166 166 A A H <> + 0 0 0 -3,-1.8 4,-2.6 1,-0.3 -1,-0.2 0.547 63.5 72.9 -77.1 -1.3 26.4 58.0 57.5 167 167 A G H <> S+ 0 0 1 -3,-0.5 4,-1.1 2,-0.2 -1,-0.3 0.866 106.5 43.2 -69.9 -33.7 28.0 59.2 54.3 168 168 A G H <> S+ 0 0 0 -3,-1.6 4,-2.7 2,-0.2 3,-0.3 0.937 111.3 55.1 -71.8 -40.5 27.4 62.6 55.9 169 169 A T H X S+ 0 0 9 -4,-1.2 4,-2.4 1,-0.2 -2,-0.2 0.909 105.9 50.1 -58.3 -43.3 28.6 61.3 59.3 170 170 A V H X S+ 0 0 0 -4,-2.6 4,-2.7 1,-0.2 -1,-0.2 0.848 111.4 49.0 -66.9 -32.4 32.0 60.1 58.0 171 171 A L H X S+ 0 0 0 -4,-1.1 4,-2.3 -3,-0.3 -2,-0.2 0.927 110.6 50.8 -65.9 -45.9 32.6 63.4 56.3 172 172 A R H X S+ 0 0 66 -4,-2.7 4,-1.1 2,-0.2 -2,-0.2 0.900 115.3 43.4 -57.3 -40.4 31.6 65.2 59.6 173 173 A L H >X S+ 0 0 40 -4,-2.4 4,-2.0 -5,-0.2 3,-0.6 0.962 111.5 51.6 -73.3 -50.2 34.1 63.0 61.5 174 174 A A H 3X S+ 0 0 0 -4,-2.7 4,-2.7 1,-0.2 5,-0.3 0.828 102.5 62.4 -58.9 -32.0 36.9 63.2 58.9 175 175 A K H 3X S+ 0 0 27 -4,-2.3 4,-2.3 1,-0.2 -1,-0.2 0.925 108.0 41.1 -58.5 -45.1 36.7 67.0 59.0 176 176 A D H < S+ 0 0 0 -4,-2.7 3,-0.6 1,-0.2 48,-0.4 0.911 117.3 46.8 -70.6 -40.5 42.0 66.2 59.5 179 179 A E H 3< S+ 0 0 42 -4,-2.3 -166,-1.0 -5,-0.3 -1,-0.2 0.783 112.6 47.0 -76.2 -25.4 41.7 69.8 60.8 180 180 A N T 3< S+ 0 0 65 -4,-1.9 2,-0.5 -168,-0.2 -1,-0.2 0.436 106.7 62.7 -96.0 -0.7 42.9 69.2 64.4 181 181 A N S X S- 0 0 42 -3,-0.6 3,-2.4 -4,-0.4 -169,-0.3 -0.890 80.4-130.8-133.4 108.5 46.0 67.1 63.5 182 182 A K T 3 S+ 0 0 144 -171,-2.6 -169,-0.1 -2,-0.5 -3,-0.1 -0.290 93.9 7.8 -55.4 127.0 48.9 68.5 61.5 183 183 A G T 3 S+ 0 0 48 1,-0.3 -1,-0.3 43,-0.2 -58,-0.1 0.377 90.1 152.5 87.4 -11.7 49.8 66.1 58.7 184 184 A A < - 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