==== 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 06-DEC-05 2FA3 . COMPND 2 MOLECULE: HMG-COA SYNTHASE; . SOURCE 2 ORGANISM_SCIENTIFIC: BRASSICA JUNCEA; . AUTHOR F.POJER,J.L.FERRER,S.B.RICHARD,J.P.NOEL . 450 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 18686.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 317 70.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 22 4.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 57 12.7 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 . 0 0.0 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 . 24 5.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 56 12.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 134 29.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 10 2.2 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 3 1 2 1 0 0 0 0 2 1 1 0 1 1 0 0 0 0 0 1 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 1 1 1 0 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 . 0 3 1 1 0 0 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 . 1 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 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 A 0 0 75 0, 0.0 2,-0.3 0, 0.0 3,-0.2 0.000 360.0 360.0 360.0 122.6 -4.4 2.5 28.1 2 3 A K + 0 0 159 1,-0.2 169,-2.3 0, 0.0 170,-0.2 -0.814 360.0 9.2-120.7 148.7 -3.9 0.1 25.1 3 4 A N S S- 0 0 98 -2,-0.3 169,-2.7 167,-0.2 2,-0.2 0.885 78.8-177.2 53.0 45.6 -1.4 -0.2 22.2 4 5 A V + 0 0 3 166,-0.2 172,-2.0 -3,-0.2 2,-0.3 -0.547 25.8 96.2 -76.6 138.0 0.9 2.4 23.7 5 6 A G E S-AB 169 175A 0 164,-1.8 164,-1.9 -2,-0.2 2,-0.7 -0.884 74.0 -10.2-179.9-134.8 4.0 3.5 21.8 6 7 A I E +AB 168 174A 1 168,-2.2 168,-0.7 -2,-0.3 162,-0.2 -0.737 43.3 174.2 -99.4 116.4 5.1 6.2 19.5 7 8 A L E - 0 0 4 160,-3.7 2,-0.3 -2,-0.7 161,-0.2 0.777 68.0 -6.3 -86.7 -28.8 2.4 8.5 18.0 8 9 A A E -A 167 0A 0 159,-0.9 159,-2.7 368,-0.1 2,-0.3 -0.976 59.6-167.5-167.4 141.2 4.6 11.0 16.2 9 10 A M E -A 166 0A 1 -2,-0.3 2,-0.3 157,-0.2 157,-0.2 -0.980 4.2-177.5-143.3 158.0 8.2 11.9 15.7 10 11 A D E -A 165 0A 0 155,-2.0 155,-2.6 -2,-0.3 2,-0.3 -0.979 11.0-151.5-150.1 156.4 10.3 14.7 14.3 11 12 A I E -A 164 0A 6 -2,-0.3 2,-0.3 153,-0.2 153,-0.2 -0.914 8.0-171.3-134.5 149.5 14.1 15.3 13.8 12 13 A Y E +A 163 0A 30 151,-2.8 151,-2.6 -2,-0.3 47,-0.1 -0.993 8.1 169.4-139.0 139.6 16.6 18.1 13.7 13 14 A F - 0 0 14 -2,-0.3 149,-0.2 149,-0.2 32,-0.0 -0.987 45.5 -92.7-143.2 144.6 20.3 18.1 12.8 14 15 A P - 0 0 0 0, 0.0 31,-0.1 0, 0.0 147,-0.1 -0.237 27.5-137.3 -58.3 143.1 22.6 21.1 12.1 15 16 A P S S+ 0 0 14 0, 0.0 380,-2.2 0, 0.0 2,-0.4 0.704 79.7 96.4 -73.7 -13.5 22.7 22.0 8.4 16 17 A T E +j 395 0B 0 29,-0.3 29,-2.4 378,-0.2 2,-0.3 -0.611 53.2 150.4 -86.9 125.0 26.4 22.4 8.7 17 18 A C E -jK 396 44B 3 378,-1.8 380,-1.6 -2,-0.4 2,-0.3 -0.908 36.9-134.7-150.5 165.4 28.5 19.4 7.7 18 19 A V E -jK 397 43B 0 25,-1.9 25,-2.0 -2,-0.3 2,-0.3 -0.980 28.9-116.1-129.7 141.8 31.8 18.2 6.3 19 20 A Q E > - K 0 42B 64 378,-0.6 4,-1.4 -2,-0.3 23,-0.2 -0.613 12.8-140.5 -82.8 136.6 32.3 15.5 3.6 20 21 A Q H > S+ 0 0 0 21,-2.2 4,-2.5 -2,-0.3 5,-0.2 0.902 100.5 51.6 -62.9 -46.4 34.1 12.2 4.5 21 22 A E H > S+ 0 0 135 20,-0.4 4,-2.0 1,-0.2 3,-0.4 0.971 111.4 49.5 -49.8 -56.9 36.1 11.9 1.2 22 23 A A H > S+ 0 0 35 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.789 111.0 51.2 -48.2 -38.8 37.3 15.5 1.6 23 24 A L H X S+ 0 0 0 -4,-1.4 4,-2.9 2,-0.2 6,-0.3 0.797 102.6 56.0 -76.7 -37.5 38.3 14.6 5.2 24 25 A E H <>S+ 0 0 7 -4,-2.5 5,-1.6 -3,-0.4 -2,-0.2 0.951 110.5 48.7 -53.0 -45.3 40.3 11.6 4.3 25 26 A A H <5S+ 0 0 87 -4,-2.0 -2,-0.2 -5,-0.2 -1,-0.2 0.926 111.2 49.7 -60.5 -43.4 42.2 14.0 2.1 26 27 A H H <5S+ 0 0 74 -4,-1.6 -1,-0.2 -5,-0.2 -2,-0.2 0.883 116.4 40.5 -70.2 -42.9 42.6 16.5 4.9 27 28 A D T <5S- 0 0 39 -4,-2.9 0, 0.0 -5,-0.0 0, 0.0 -0.229 107.6-105.6 -78.4-169.9 43.9 14.0 7.4 28 29 A G T 5 + 0 0 85 -2,-0.1 2,-0.2 2,-0.0 -3,-0.2 -0.313 65.2 152.7-110.0 52.8 46.3 11.6 5.7 29 30 A A < - 0 0 28 -5,-1.6 3,-0.1 -6,-0.3 2,-0.1 -0.547 52.2-104.3 -78.3 147.0 43.9 8.7 5.7 30 31 A S > - 0 0 85 -2,-0.2 3,-2.1 1,-0.1 4,-0.2 -0.417 59.2 -76.5 -61.7 147.4 44.2 6.0 3.0 31 32 A K T 3 S+ 0 0 200 1,-0.3 -1,-0.1 2,-0.1 -10,-0.1 -0.169 116.2 7.2 -59.7 126.6 41.5 6.4 0.3 32 33 A G T 3>>S+ 0 0 14 -3,-0.1 4,-2.3 -11,-0.1 5,-2.1 0.608 84.5 128.7 81.4 9.0 38.0 5.3 1.5 33 34 A K T <45S+ 0 0 116 -3,-2.1 5,-0.3 3,-0.2 -2,-0.1 0.763 86.3 30.4 -68.1 -26.5 39.1 4.6 5.1 34 35 A Y T >>S+ 0 0 19 -4,-0.2 6,-2.3 3,-0.2 5,-0.9 0.856 124.0 45.5 -93.2 -44.1 36.1 6.7 6.2 35 36 A T T 45S+ 0 0 29 4,-0.2 -2,-0.2 3,-0.2 -4,-0.1 0.810 135.9 11.9 -68.5 -31.0 33.7 6.0 3.4 36 37 A I T <5S+ 0 0 131 -4,-2.3 -3,-0.2 3,-0.2 -1,-0.1 0.772 128.8 50.7-112.1 -52.0 34.3 2.3 3.3 37 38 A G T 4 - 0 0 2 -2,-0.4 3,-1.5 1,-0.0 -1,-0.0 -0.275 47.3 -80.9 -81.0-166.1 28.8 25.6 15.2 48 49 A E T 3 S+ 0 0 8 1,-0.3 388,-0.1 373,-0.1 372,-0.1 0.748 130.7 62.8 -69.6 -23.0 28.9 28.2 18.0 49 50 A L T 3 S+ 0 0 0 372,-0.1 387,-2.5 386,-0.1 2,-0.3 0.636 102.6 56.2 -78.8 -13.2 25.3 29.0 17.1 50 51 A E < + 0 0 3 -3,-1.5 2,-0.3 385,-0.2 385,-0.1 -0.860 51.5 149.3-127.8 155.5 23.9 25.6 18.0 51 52 A D > - 0 0 15 -2,-0.3 4,-3.5 -5,-0.0 5,-0.3 -0.953 60.8 -75.1-164.7 179.1 23.8 23.1 20.9 52 53 A V H > S+ 0 0 2 -2,-0.3 4,-1.1 2,-0.2 94,-0.0 0.713 127.3 50.3 -63.1 -16.9 21.7 20.3 22.4 53 54 A I H > S+ 0 0 0 2,-0.2 4,-2.2 3,-0.1 -1,-0.2 0.963 112.7 42.1 -85.0 -54.3 19.3 22.9 23.8 54 55 A S H > S+ 0 0 0 1,-0.2 4,-2.2 2,-0.2 380,-0.4 0.887 116.5 51.2 -54.1 -45.3 18.7 24.8 20.6 55 56 A M H X S+ 0 0 0 -4,-3.5 4,-2.3 1,-0.2 -1,-0.2 0.924 109.2 50.9 -56.8 -43.2 18.5 21.5 18.7 56 57 A S H X S+ 0 0 0 -4,-1.1 4,-2.5 -5,-0.3 -2,-0.2 0.826 108.3 51.5 -65.7 -36.2 15.9 20.2 21.3 57 58 A F H X S+ 0 0 5 -4,-2.2 4,-2.6 1,-0.2 5,-0.3 0.894 108.1 53.5 -69.4 -43.5 13.8 23.3 20.8 58 59 A N H X S+ 0 0 13 -4,-2.2 4,-1.5 -5,-0.2 -2,-0.2 0.938 112.0 43.0 -52.2 -49.5 13.9 22.8 17.1 59 60 A A H X S+ 0 0 0 -4,-2.3 4,-2.8 1,-0.2 3,-0.3 0.980 117.2 45.1 -69.9 -50.8 12.6 19.2 17.4 60 61 A V H X S+ 0 0 0 -4,-2.5 4,-2.8 1,-0.2 5,-0.2 0.917 114.5 48.0 -51.3 -52.1 9.9 19.9 20.0 61 62 A T H X S+ 0 0 21 -4,-2.6 4,-2.1 1,-0.2 -1,-0.2 0.851 114.5 48.1 -59.5 -32.8 8.6 23.1 18.3 62 63 A S H X S+ 0 0 20 -4,-1.5 4,-1.9 -5,-0.3 5,-0.2 0.873 111.3 47.3 -80.3 -46.5 8.5 21.3 15.0 63 64 A L H X S+ 0 0 0 -4,-2.8 4,-1.7 2,-0.2 6,-0.5 0.927 114.2 49.4 -54.3 -51.0 6.6 18.1 16.3 64 65 A L H <>S+ 0 0 19 -4,-2.8 5,-1.6 -5,-0.3 3,-0.3 0.981 116.7 39.1 -57.8 -58.9 4.1 20.3 18.1 65 66 A E H ><5S+ 0 0 116 -4,-2.1 3,-2.2 1,-0.2 -2,-0.2 0.956 118.1 43.8 -54.2 -64.9 3.3 22.6 15.2 66 67 A K H 3<5S+ 0 0 95 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.665 116.5 45.6 -68.0 -20.9 3.3 20.1 12.3 67 68 A Y T 3<5S- 0 0 2 -4,-1.7 -1,-0.3 -3,-0.3 -2,-0.2 0.271 107.2-125.4-101.0 6.7 1.4 17.4 14.1 68 69 A K T < 5 + 0 0 181 -3,-2.2 2,-0.4 -4,-0.2 -3,-0.2 0.686 56.2 152.6 59.8 22.7 -1.1 20.0 15.4 69 70 A I < - 0 0 18 -5,-1.6 -1,-0.2 -6,-0.5 -2,-0.1 -0.713 40.3-134.3 -80.7 132.9 -0.6 18.9 19.0 70 71 A D > - 0 0 75 -2,-0.4 3,-2.4 -3,-0.1 4,-0.1 -0.709 13.0-125.2 -97.1 145.1 -1.3 21.7 21.5 71 72 A P G > S+ 0 0 40 0, 0.0 3,-1.0 0, 0.0 -1,-0.1 0.634 104.4 66.3 -71.0 -15.5 1.3 22.2 24.4 72 73 A K G 3 S+ 0 0 116 1,-0.2 27,-0.0 33,-0.0 66,-0.0 0.675 91.3 68.9 -72.3 -12.0 -1.2 21.9 27.2 73 74 A Q G < S+ 0 0 82 -3,-2.4 66,-2.5 65,-0.1 2,-0.6 0.468 74.7 95.0 -92.6 -4.2 -1.6 18.3 26.2 74 75 A I E < +c 139 0A 0 -3,-1.0 66,-0.2 64,-0.2 3,-0.1 -0.811 39.4 164.3 -87.3 118.5 1.9 17.2 27.3 75 76 A G E + 0 0 4 64,-2.7 33,-1.8 -2,-0.6 2,-0.3 0.546 68.0 36.6-117.2 -18.2 1.8 15.8 30.8 76 77 A R E +cd 140 108A 43 63,-1.2 65,-2.3 31,-0.2 2,-0.4 -0.988 62.5 177.1-134.4 132.5 5.2 14.0 30.9 77 78 A L E +c 141 0A 0 31,-3.4 2,-0.3 -2,-0.3 65,-0.2 -0.956 6.6 172.6-140.7 119.2 8.4 15.4 29.2 78 79 A E E -c 142 0A 7 63,-2.1 65,-2.7 -2,-0.4 2,-0.4 -0.955 16.1-152.2-133.5 146.0 11.8 13.6 29.5 79 80 A V E -ce 143 111A 0 31,-1.3 33,-2.5 -2,-0.3 2,-0.4 -0.948 1.5-159.1-122.7 130.8 15.2 14.2 27.8 80 81 A G E +ce 144 112A 0 63,-3.7 65,-2.3 -2,-0.4 2,-0.3 -0.914 34.5 129.7-106.4 140.5 17.9 11.6 27.1 81 82 A S - 0 0 5 31,-1.4 33,-0.3 -2,-0.4 65,-0.2 -0.966 46.3-156.8-173.4 161.0 21.4 12.9 26.6 82 83 A E S S+ 0 0 11 63,-0.4 2,-0.9 -2,-0.3 64,-0.1 0.228 71.0 99.6-129.8 9.4 25.1 12.6 27.5 83 84 A T - 0 0 13 62,-0.4 2,-0.6 32,-0.1 116,-0.1 -0.846 59.8-165.0 -95.0 98.7 26.2 16.1 26.6 84 85 A V + 0 0 68 -2,-0.9 3,-0.1 1,-0.2 6,-0.1 -0.798 26.7 163.9 -96.3 125.5 26.2 18.0 29.9 85 86 A I S S+ 0 0 59 -2,-0.6 2,-0.4 1,-0.4 -1,-0.2 0.654 80.5 27.4-102.5 -25.7 26.3 21.8 29.8 86 87 A D S S- 0 0 71 3,-0.3 -1,-0.4 1,-0.1 5,-0.1 -0.988 70.9-144.3-132.6 141.0 25.3 22.1 33.5 87 88 A K S S+ 0 0 179 -2,-0.4 3,-0.1 -3,-0.1 -1,-0.1 0.615 98.2 14.1 -83.5 -7.5 26.0 19.4 36.2 88 89 A S S S+ 0 0 115 1,-0.2 2,-0.8 2,-0.0 -1,-0.1 0.596 106.7 80.7-136.1 -30.0 22.6 20.0 38.0 89 90 A K S S- 0 0 95 3,-0.0 -3,-0.3 2,-0.0 -4,-0.2 -0.806 76.5-141.2 -89.9 111.2 20.3 22.1 35.8 90 91 A S >> - 0 0 24 -2,-0.8 3,-1.1 1,-0.1 4,-0.9 -0.325 17.4-120.4 -76.2 155.3 18.8 19.6 33.4 91 92 A I H 3> S+ 0 0 11 1,-0.3 4,-1.6 2,-0.2 3,-0.4 0.847 111.5 69.5 -59.4 -33.3 18.0 20.2 29.7 92 93 A K H 3> S+ 0 0 13 1,-0.2 4,-0.8 2,-0.2 -1,-0.3 0.827 94.3 53.2 -53.0 -37.6 14.4 19.4 30.6 93 94 A T H X4 S+ 0 0 51 -3,-1.1 3,-0.5 1,-0.2 4,-0.4 0.879 105.7 53.2 -70.0 -33.5 14.2 22.7 32.6 94 95 A F H >< S+ 0 0 14 -4,-0.9 3,-1.5 -3,-0.4 4,-0.3 0.870 103.7 56.9 -63.3 -37.3 15.4 24.7 29.6 95 96 A L H >< S+ 0 0 0 -4,-1.6 3,-1.2 1,-0.3 4,-0.3 0.737 89.5 75.3 -67.6 -22.1 12.6 23.1 27.5 96 97 A M G XX S+ 0 0 22 -4,-0.8 3,-1.3 -3,-0.5 4,-1.1 0.712 75.0 78.6 -65.1 -21.2 10.1 24.4 29.9 97 98 A Q G X4 S+ 0 0 82 -3,-1.5 3,-1.1 -4,-0.4 4,-0.4 0.961 91.5 53.8 -48.1 -48.5 10.7 27.8 28.3 98 99 A L G <4 S+ 0 0 24 -3,-1.2 -1,-0.3 -4,-0.3 -2,-0.2 0.660 110.0 45.8 -59.5 -20.5 8.4 26.5 25.6 99 100 A F G X4>S+ 0 0 1 -3,-1.3 5,-1.6 -4,-0.3 3,-0.6 0.546 91.6 77.7-103.7 -2.9 5.6 25.6 28.0 100 101 A E T <<5S+ 0 0 120 -3,-1.1 3,-0.3 -4,-1.1 -1,-0.2 0.700 83.0 67.9 -81.4 -14.4 5.5 28.7 30.1 101 102 A K T 3 5S+ 0 0 158 -4,-0.4 -1,-0.2 1,-0.2 -2,-0.1 0.777 109.2 33.5 -75.4 -30.6 3.6 30.6 27.4 102 103 A C T < 5S- 0 0 40 -3,-0.6 -1,-0.2 -4,-0.2 -2,-0.2 0.180 113.1-115.1-107.7 6.8 0.4 28.5 27.8 103 104 A G T 5 + 0 0 57 -3,-0.3 2,-0.9 -4,-0.2 -3,-0.2 0.700 64.4 144.7 69.7 24.5 0.9 28.0 31.5 104 105 A N < + 0 0 14 -5,-1.6 -1,-0.2 1,-0.2 -2,-0.1 -0.782 5.2 142.5 -94.0 96.2 1.3 24.3 31.6 105 106 A T + 0 0 103 -2,-0.9 2,-1.8 1,-0.1 -1,-0.2 0.496 43.4 94.7-115.3 -6.5 3.9 23.6 34.4 106 107 A D + 0 0 121 -3,-0.2 2,-0.4 -30,-0.0 -1,-0.1 -0.599 56.6 134.0 -81.2 77.7 2.4 20.4 35.8 107 108 A V - 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0 0 5 -5,-1.7 2,-1.5 -4,-0.2 3,-1.3 0.106 46.6 -90.3 -64.0 178.1 17.8 -22.0 14.8 270 271 A S T 3 S+ 0 0 85 -36,-0.3 -1,-0.1 1,-0.3 -34,-0.1 -0.442 114.3 61.8 -97.6 57.0 15.9 -22.0 11.5 271 272 A S T 3 S+ 0 0 16 -2,-1.5 2,-0.7 -7,-0.1 -1,-0.3 0.159 79.9 90.4-162.8 -4.5 17.8 -19.4 9.5 272 273 A I < - 0 0 13 -3,-1.3 -1,-0.0 -8,-0.2 -10,-0.0 -0.919 67.1-161.6-101.9 97.7 21.1 -21.3 9.5 273 274 A D > - 0 0 91 -2,-0.7 4,-2.1 -3,-0.1 3,-0.2 -0.072 36.6 -87.4 -71.9 179.4 21.0 -23.5 6.3 274 275 A E H > S+ 0 0 178 1,-0.2 4,-1.1 2,-0.2 -1,-0.1 0.866 125.9 47.0 -55.3 -42.6 23.1 -26.6 5.5 275 276 A A H > S+ 0 0 43 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.719 108.0 52.9 -80.3 -30.6 26.0 -24.5 4.0 276 277 A A H > S+ 0 0 1 -3,-0.2 4,-3.4 2,-0.2 5,-0.3 0.959 106.4 54.7 -67.6 -51.2 26.2 -21.8 6.7 277 278 A K H X S+ 0 0 81 -4,-2.1 4,-1.6 1,-0.2 -2,-0.2 0.871 110.4 49.0 -44.4 -41.6 26.6 -24.6 9.3 278 279 A E H >< S+ 0 0 149 -4,-1.1 3,-0.5 2,-0.2 -2,-0.2 0.990 112.9 43.6 -63.6 -60.9 29.4 -25.7 7.1 279 280 A K H 3< S+ 0 0 96 -4,-2.7 -2,-0.2 1,-0.2 -1,-0.2 0.821 118.1 46.6 -55.1 -35.8 31.1 -22.3 6.8 280 281 A F H >< S+ 0 0 0 -4,-3.4 3,-2.7 1,-0.2 -1,-0.2 0.804 91.4 77.3 -77.5 -32.4 30.6 -21.6 10.6 281 282 A T G X< S+ 0 0 65 -4,-1.6 3,-1.2 -3,-0.5 4,-0.3 0.755 76.4 74.0 -67.7 -22.7 31.8 -24.9 12.1 282 283 A P G 3 S+ 0 0 97 0, 0.0 -1,-0.3 0, 0.0 3,-0.3 0.774 103.6 45.0 -42.6 -24.1 35.5 -24.1 11.7 283 284 A Y G X S+ 0 0 40 -3,-2.7 3,-1.9 1,-0.2 -2,-0.2 0.393 76.0 98.9-112.9 -0.4 34.9 -21.7 14.7 284 285 A S T < S+ 0 0 71 -3,-1.2 -1,-0.2 1,-0.3 -3,-0.1 0.644 76.2 68.1 -69.1 -13.1 32.8 -23.6 17.2 285 286 A S T 3 S+ 0 0 116 -4,-0.3 -1,-0.3 -3,-0.3 2,-0.2 0.449 76.4 113.7 -85.2 3.8 36.0 -24.3 19.2 286 287 A L < - 0 0 52 -3,-1.9 5,-0.1 1,-0.1 -3,-0.0 -0.520 69.3-121.1 -75.5 137.1 36.5 -20.7 20.2 287 288 A S > - 0 0 48 -2,-0.2 4,-1.5 1,-0.1 -1,-0.1 -0.205 34.8-105.6 -59.1 165.3 36.2 -19.5 23.8 288 289 A L H >> S+ 0 0 88 2,-0.2 4,-1.1 1,-0.2 3,-1.1 0.980 125.4 45.4 -63.1 -51.3 33.6 -16.8 24.3 289 290 A D H 3> S+ 0 0 121 1,-0.3 4,-1.0 2,-0.2 3,-0.3 0.835 109.5 57.3 -55.3 -40.2 36.2 -14.1 24.6 290 291 A E H 34 S+ 0 0 99 1,-0.2 4,-0.4 2,-0.2 -1,-0.3 0.823 101.0 57.0 -57.3 -33.7 37.9 -15.7 21.6 291 292 A S H << S+ 0 0 3 -4,-1.5 3,-0.4 -3,-1.1 -2,-0.2 0.799 105.7 48.6 -75.9 -27.1 34.7 -15.2 19.5 292 293 A Y H < S+ 0 0 13 -4,-1.1 -1,-0.2 -3,-0.3 -2,-0.2 0.787 113.4 51.5 -72.6 -28.2 34.6 -11.4 20.2 293 294 A Q S < S+ 0 0 110 -4,-1.0 2,-0.8 -5,-0.2 -2,-0.2 0.430 81.9 105.3 -93.8 -3.9 38.3 -11.3 19.2 294 295 A S >> - 0 0 23 -4,-0.4 4,-1.8 -3,-0.4 3,-0.7 -0.704 41.3-173.2 -99.4 108.4 38.4 -13.1 15.8 295 296 A R H 3> S+ 0 0 171 -2,-0.8 4,-1.6 1,-0.3 -1,-0.2 0.752 91.8 55.6 -64.2 -25.4 38.8 -11.1 12.6 296 297 A D H 3> S+ 0 0 95 2,-0.2 4,-2.5 3,-0.1 -1,-0.3 0.848 104.1 52.4 -68.4 -39.6 38.2 -14.2 10.6 297 298 A L H <> S+ 0 0 2 -3,-0.7 4,-3.4 2,-0.2 -2,-0.2 0.898 108.9 50.2 -66.9 -47.1 34.8 -14.9 12.3 298 299 A E H X S+ 0 0 30 -4,-1.8 4,-3.4 2,-0.2 5,-0.3 0.926 110.6 49.5 -44.4 -58.9 33.6 -11.4 11.5 299 300 A K H X S+ 0 0 106 -4,-1.6 4,-1.9 1,-0.2 5,-0.2 0.969 114.3 44.7 -54.5 -54.3 34.6 -11.8 7.8 300 301 A V H X S+ 0 0 17 -4,-2.5 4,-2.2 1,-0.2 3,-0.5 0.954 116.1 47.3 -56.1 -50.9 32.8 -15.1 7.6 301 302 A S H X S+ 0 0 6 -4,-3.4 4,-1.5 1,-0.2 -2,-0.2 0.898 111.6 48.2 -59.2 -46.0 29.7 -13.7 9.5 302 303 A Q H X S+ 0 0 46 -4,-3.4 4,-0.6 1,-0.2 -1,-0.2 0.815 111.6 52.5 -63.1 -30.3 29.4 -10.5 7.5 303 304 A Q H >< S+ 0 0 115 -4,-1.9 3,-0.7 -3,-0.5 -1,-0.2 0.884 108.6 47.2 -79.0 -44.7 29.6 -12.4 4.3 304 305 A L H 3< S+ 0 0 45 -4,-2.2 3,-0.4 -5,-0.2 4,-0.3 0.808 113.1 52.2 -59.0 -29.4 27.0 -14.9 5.2 305 306 A A H 3X S+ 0 0 2 -4,-1.5 4,-3.6 -5,-0.2 5,-0.2 0.572 77.0 103.5 -89.0 -7.4 24.7 -12.0 6.3 306 307 A K H S+ 0 0 116 -3,-0.4 4,-1.2 2,-0.2 3,-0.4 0.892 118.1 49.3 -90.5 -38.4 21.5 -10.4 1.5 308 309 A Y H >> S+ 0 0 79 -4,-0.3 4,-3.1 1,-0.2 3,-0.7 0.927 109.5 54.5 -54.9 -49.5 19.6 -10.6 4.8 309 310 A Y H 3X>S+ 0 0 30 -4,-3.6 5,-2.8 1,-0.2 4,-1.3 0.772 105.0 54.2 -56.9 -27.2 21.3 -7.3 5.7 310 311 A D H 3<5S+ 0 0 104 -4,-0.6 -1,-0.2 -3,-0.4 -2,-0.2 0.778 117.2 35.4 -78.7 -26.6 19.9 -5.7 2.4 311 312 A A H <<5S+ 0 0 61 -4,-1.2 -2,-0.2 -3,-0.7 -3,-0.1 0.857 130.0 29.8 -90.6 -40.8 16.4 -6.7 3.2 312 313 A K H <5S+ 0 0 25 -4,-3.1 -69,-1.8 -5,-0.2 -3,-0.2 0.597 133.4 14.3 -98.0 -16.0 16.4 -6.2 7.0 313 314 A V T ><5S+ 0 0 0 -4,-1.3 3,-3.1 -5,-0.3 4,-0.3 0.651 98.4 78.7-134.8 -41.8 19.0 -3.4 7.7 314 315 A Q G > + 0 0 8 -3,-1.8 4,-2.1 -4,-0.3 5,-0.2 0.482 61.2 95.3-104.8 -4.3 21.0 3.5 7.4 318 319 A L H > S+ 0 0 53 -3,-0.2 4,-1.1 2,-0.2 -1,-0.1 0.943 92.6 36.0 -53.9 -58.7 20.2 6.7 5.4 319 320 A V H >> S+ 0 0 1 14,-0.3 3,-1.9 1,-0.2 4,-1.4 0.979 115.8 50.4 -69.7 -59.6 20.4 9.2 8.2 320 321 A P H 3> S+ 0 0 4 0, 0.0 4,-1.4 0, 0.0 3,-0.5 0.876 111.9 50.4 -40.7 -46.0 23.3 7.7 10.3 321 322 A K H 3< S+ 0 0 51 -4,-2.1 -280,-2.5 1,-0.2 -279,-1.8 0.799 117.5 40.6 -66.3 -22.8 25.4 7.5 7.1 322 323 A Q H << S+ 0 0 34 -3,-1.9 -1,-0.2 -4,-1.1 -3,-0.1 0.543 128.2 24.9-103.1 -11.0 24.7 11.1 6.3 323 324 A V H < S- 0 0 0 -4,-1.4 -279,-2.9 -3,-0.5 -162,-0.2 0.608 96.5-140.5-125.7 -40.9 24.9 12.9 9.7 324 325 A G < + 0 0 2 -4,-1.4 -164,-0.3 -5,-0.5 -165,-0.1 -0.533 55.0 1.5 110.0-169.4 27.2 10.6 11.8 325 326 A N + 0 0 2 -167,-0.8 -177,-0.5 -166,-0.5 -76,-0.1 -0.276 51.3 175.3 -51.0 126.5 27.1 9.5 15.5 326 327 A M > - 0 0 0 1,-0.3 3,-2.4 -79,-0.2 4,-0.3 0.147 21.0-158.0-118.5 14.2 24.1 10.9 17.2 327 328 A Y G >> S+ 0 0 0 1,-0.3 3,-2.4 2,-0.2 4,-0.5 -0.158 79.6 15.1 42.5-114.6 24.6 9.1 20.5 328 329 A T G 34 S+ 0 0 1 1,-0.3 4,-0.3 -213,-0.2 -1,-0.3 0.764 137.0 44.0 -62.1 -25.9 21.2 9.0 22.3 329 330 A A G <> S+ 0 0 0 -3,-2.4 4,-2.1 -167,-0.2 -1,-0.3 0.492 89.1 90.8 -95.4 -6.7 19.4 9.9 19.1 330 331 A S H <> S+ 0 0 0 -3,-2.4 4,-2.3 -4,-0.3 3,-0.4 0.950 88.2 44.6 -60.8 -53.2 21.3 7.6 16.8 331 332 A L H X S+ 0 0 2 -4,-0.5 4,-2.1 1,-0.2 -1,-0.2 0.808 114.3 50.3 -53.6 -37.4 19.0 4.5 17.1 332 333 A Y H > S+ 0 0 0 -4,-0.3 4,-1.4 2,-0.2 -1,-0.2 0.764 108.2 53.1 -85.2 -21.6 15.9 6.7 16.7 333 334 A A H X S+ 0 0 0 -4,-2.1 4,-2.5 -3,-0.4 -14,-0.3 0.886 108.1 50.2 -72.0 -44.4 17.5 8.3 13.6 334 335 A A H X S+ 0 0 0 -4,-2.3 4,-1.3 2,-0.2 -2,-0.2 0.921 110.5 51.1 -52.8 -49.6 18.0 4.8 12.1 335 336 A F H X S+ 0 0 0 -4,-2.1 4,-1.8 2,-0.2 -2,-0.2 0.859 109.6 48.9 -57.5 -38.8 14.4 4.2 12.9 336 337 A A H X S+ 0 0 0 -4,-1.4 4,-2.4 1,-0.2 -2,-0.2 0.904 106.6 57.3 -68.0 -38.7 13.4 7.4 11.2 337 338 A S H X S+ 0 0 0 -4,-2.5 4,-1.7 -21,-0.3 -2,-0.2 0.833 107.8 48.3 -53.1 -34.0 15.5 6.2 8.3 338 339 A L H X S+ 0 0 0 -4,-1.3 4,-2.0 -22,-0.2 -1,-0.2 0.835 110.0 49.9 -82.6 -34.2 13.4 3.1 8.1 339 340 A V H X S+ 0 0 0 -4,-1.8 4,-0.8 2,-0.2 -2,-0.2 0.861 110.7 51.3 -70.0 -30.4 10.1 5.0 8.3 340 341 A H H < S+ 0 0 55 -4,-2.4 3,-0.3 1,-0.2 -2,-0.2 0.961 118.5 34.1 -71.1 -48.2 11.2 7.3 5.5 341 342 A N H < S+ 0 0 78 -4,-1.7 3,-0.2 -26,-0.4 -2,-0.2 0.831 131.9 23.2 -76.6 -36.8 12.3 4.4 3.1 342 343 A K H >< S+ 0 0 79 -4,-2.0 3,-1.8 -27,-0.2 4,-0.5 0.175 73.1 124.0-125.6 23.5 9.8 1.7 3.8 343 344 A H T 3X S+ 0 0 52 -4,-0.8 4,-0.6 1,-0.3 3,-0.5 0.728 76.2 56.8 -64.8 -23.7 6.6 3.3 5.3 344 345 A S T 34 S+ 0 0 102 1,-0.2 -1,-0.3 -3,-0.2 -2,-0.1 0.628 111.6 42.3 -82.4 -15.8 4.3 1.8 2.7 345 346 A D T <4 S+ 0 0 82 -3,-1.8 -1,-0.2 1,-0.1 -2,-0.2 0.419 97.6 79.9-102.6 1.4 5.5 -1.7 3.5 346 347 A L T >4 + 0 0 0 -4,-0.5 3,-2.4 -3,-0.5 23,-0.3 0.829 54.3 111.1 -88.6 -34.6 5.5 -1.4 7.3 347 348 A A T 3< S+ 0 0 38 -4,-0.6 23,-0.3 1,-0.3 22,-0.0 -0.137 94.4 11.1 -38.0 122.2 1.9 -1.8 8.3 348 349 A G T 3 S+ 0 0 46 21,-1.7 -1,-0.3 1,-0.2 2,-0.2 0.629 103.2 127.5 79.3 16.0 1.7 -5.2 10.1 349 350 A K < - 0 0 53 -3,-2.4 20,-2.5 20,-0.2 2,-0.6 -0.621 56.7-125.3-106.1 164.5 5.5 -5.7 10.4 350 351 A R E - I 0 368A 10 18,-0.2 -109,-1.7 -2,-0.2 -108,-1.5 -0.944 22.7-173.4-110.4 115.7 7.9 -6.4 13.3 351 352 A V E -hI 242 367A 0 16,-2.0 16,-2.3 -2,-0.6 2,-0.4 -0.915 9.8-155.2-104.4 126.8 10.8 -4.0 13.9 352 353 A V E -hI 243 366A 1 -110,-2.8 -108,-2.5 -2,-0.5 2,-0.5 -0.832 9.4-153.7-107.3 137.7 13.3 -5.0 16.6 353 354 A M E -hI 244 365A 0 12,-4.5 12,-2.8 -2,-0.4 2,-0.6 -0.919 9.2-164.1-118.7 133.1 15.3 -2.3 18.2 354 355 A F E -hI 245 364A 2 -110,-2.6 -108,-1.5 -2,-0.5 2,-0.4 -0.909 9.1-174.2-118.6 114.0 18.8 -2.5 19.8 355 356 A S E + I 0 363A 1 8,-3.0 8,-1.7 -2,-0.6 2,-0.3 -0.826 6.5 179.5 -98.7 140.8 19.9 0.3 22.1 356 357 A Y E + I 0 362A 5 -2,-0.4 2,-0.3 6,-0.2 6,-0.2 -0.957 13.2 177.4-140.4 155.2 23.4 0.6 23.6 357 358 A G E >> - I 0 361A 0 4,-1.2 4,-2.5 -241,-0.3 3,-1.2 -0.937 33.1-114.2-155.1 128.5 25.5 2.9 25.9 358 359 A S T 34 S+ 0 0 13 -2,-0.3 -241,-0.1 1,-0.2 -169,-0.0 -0.167 100.4 56.1 -63.7 162.9 29.0 2.4 27.1 359 360 A G T 34 S- 0 0 24 1,-0.1 -171,-1.8 -244,-0.1 -1,-0.2 -0.107 134.4 -84.0 101.3 -37.9 29.9 1.9 30.8 360 361 A S T <4 S+ 0 0 3 -3,-1.2 -174,-2.2 1,-0.2 2,-0.4 0.892 79.9 145.4 120.6 87.8 27.4 -0.7 29.7 361 362 A T E < +GI 185 357A 20 -4,-2.5 -4,-1.2 -176,-0.2 2,-0.3 -0.989 23.0 158.1-131.8 131.3 23.7 -0.2 29.6 362 363 A A E -GI 184 356A 0 -178,-1.2 -178,-1.6 -2,-0.4 2,-0.3 -0.996 19.9-176.0-155.4 148.4 21.7 -1.9 26.8 363 364 A T E -GI 183 355A 1 -8,-1.7 -8,-3.0 -2,-0.3 2,-0.4 -0.936 11.0-159.1-150.5 124.6 18.2 -3.1 25.8 364 365 A M E +GI 182 354A 0 -182,-2.7 -182,-1.9 -2,-0.3 2,-0.3 -0.882 29.6 168.6 -91.8 138.6 17.0 -5.0 22.8 365 366 A F E -GI 181 353A 2 -12,-2.8 -12,-4.5 -2,-0.4 2,-0.3 -0.973 24.8-123.0-152.9 166.7 13.2 -4.5 22.3 366 367 A S E - I 0 352A 1 -186,-1.3 -189,-2.5 -189,-0.4 2,-0.4 -0.831 13.7-167.7-128.2 145.9 10.4 -5.1 19.8 367 368 A L E -GI 176 351A 1 -16,-2.3 -16,-2.0 -2,-0.3 2,-0.6 -0.977 10.7-152.7-135.3 141.0 7.8 -3.1 18.0 368 369 A R E -GI 175 350A 86 -193,-2.7 -193,-2.2 -2,-0.4 2,-0.2 -0.972 20.7-154.9-117.6 117.3 4.8 -4.0 16.1 369 370 A L E +G 174 0A 0 -20,-2.5 -21,-1.7 -2,-0.6 2,-0.3 -0.598 20.8 156.9 -95.5 154.8 3.8 -1.5 13.4 370 371 A C - 0 0 45 -197,-2.2 8,-0.4 -23,-0.3 2,-0.3 -0.933 39.3 -65.9-163.6-176.5 0.5 -0.9 12.0 371 372 A E + 0 0 145 -2,-0.3 2,-0.3 6,-0.1 6,-0.1 -0.598 51.8 151.8 -86.1 135.5 -2.2 1.0 10.2 372 373 A N - 0 0 32 -2,-0.3 6,-0.1 -199,-0.0 -200,-0.0 -0.990 44.1 -80.1-167.7 152.3 -3.8 4.1 11.9 373 374 A Q > - 0 0 154 -2,-0.3 3,-1.6 1,-0.1 0, 0.0 -0.195 62.0 -76.2 -63.0 142.6 -5.6 7.5 11.2 374 375 A S T 3 S+ 0 0 83 1,-0.3 -1,-0.1 2,-0.2 4,-0.0 -0.424 114.9 38.7 -57.4 149.0 -3.6 10.6 10.4 375 376 A P T 3 S+ 0 0 53 0, 0.0 2,-1.0 0, 0.0 -1,-0.3 -0.998 123.6 48.6 -82.3 -1.8 -2.0 12.4 12.0 376 377 A F S < S+ 0 0 28 -3,-1.6 2,-0.3 4,-0.1 -2,-0.2 -0.418 89.8 112.5-103.4 65.8 -0.9 9.3 13.8 377 378 A S S > S- 0 0 6 -2,-1.0 4,-2.2 1,-0.1 5,-0.2 -0.909 75.8-116.7-134.4 149.4 0.1 7.2 10.8 378 379 A L H > S+ 0 0 9 -8,-0.4 4,-1.8 -2,-0.3 5,-0.1 0.878 116.4 47.7 -52.6 -44.2 3.2 5.8 9.3 379 380 A S H > S+ 0 0 66 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.874 111.2 49.5 -65.2 -40.0 2.7 7.8 6.1 380 381 A N H > S+ 0 0 34 2,-0.2 4,-3.2 1,-0.2 5,-0.2 0.884 109.7 51.3 -70.7 -34.7 2.0 11.1 7.9 381 382 A I H X S+ 0 0 0 -4,-2.2 4,-2.5 2,-0.2 5,-0.2 0.912 109.8 50.0 -66.9 -42.5 5.1 10.6 10.0 382 383 A A H X S+ 0 0 11 -4,-1.8 4,-1.2 -5,-0.2 5,-0.5 0.910 113.6 47.9 -63.0 -36.6 7.2 10.1 6.9 383 384 A S H < S+ 0 0 85 -4,-2.2 3,-0.5 2,-0.2 -2,-0.2 0.977 113.3 43.7 -69.2 -54.7 5.7 13.2 5.4 384 385 A V H < S+ 0 0 18 -4,-3.2 -2,-0.2 1,-0.2 -3,-0.2 0.932 109.9 55.7 -57.8 -48.2 6.2 15.5 8.4 385 386 A M H < S- 0 0 0 -4,-2.5 -1,-0.2 -5,-0.2 -374,-0.2 0.827 84.2-168.6 -52.7 -35.7 9.8 14.4 9.1 386 387 A D X + 0 0 81 -4,-1.2 4,-1.6 -3,-0.5 5,-0.2 0.915 11.6 176.0 44.3 59.8 10.6 15.3 5.5 387 388 A V H > S+ 0 0 4 -5,-0.5 4,-2.5 2,-0.2 5,-0.2 0.900 73.6 51.8 -58.0 -43.0 14.0 13.6 5.6 388 389 A G H > S+ 0 0 28 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.933 108.4 50.5 -61.7 -49.6 14.7 14.4 1.9 389 390 A G H 4 S+ 0 0 27 1,-0.2 4,-0.4 2,-0.2 -1,-0.2 0.854 112.7 47.3 -57.1 -37.2 14.0 18.0 2.2 390 391 A K H >< S+ 0 0 46 -4,-1.6 3,-1.3 1,-0.2 -2,-0.2 0.911 106.7 54.1 -80.4 -39.9 16.3 18.3 5.2 391 392 A L H >< S+ 0 0 23 -4,-2.5 3,-0.6 1,-0.3 -1,-0.2 0.812 110.2 52.2 -57.1 -31.4 19.2 16.4 3.6 392 393 A K T 3< S+ 0 0 182 -4,-1.7 -1,-0.3 1,-0.2 -2,-0.2 0.577 96.6 65.4 -79.6 -15.2 18.8 18.9 0.8 393 394 A A T < S+ 0 0 59 -3,-1.3 -1,-0.2 -4,-0.4 -2,-0.2 0.230 80.0 123.0 -94.0 15.3 19.0 22.0 3.0 394 395 A R < - 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