==== 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 11-SEP-08 3EH7 . COMPND 2 MOLECULE: 4-HYDROXYBUTYRATE COA-TRANSFERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: PORPHYROMONAS GINGIVALIS; . AUTHOR M.E.CUFF,E.DUGGAN,M.GU,A.JOACHIMIAK,MIDWEST CENTER FOR STRUC . 401 3 1 0 1 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17399.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 280 69.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 58 14.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 23 5.7 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 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 . 32 8.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 60 15.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 85 21.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 0.7 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 2 1 1 2 2 2 1 0 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 6 5 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 . 2 3 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 0 0 ANTIPARALLEL BRIDGES PER LADDER . 2 1 1 0 1 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 0 A A 0 0 157 0, 0.0 2,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 135.4 63.3 -3.3 42.6 2 1 A X - 0 0 195 1,-0.1 2,-0.2 3,-0.0 0, 0.0 -0.309 360.0 -85.9 -73.5 159.5 61.6 -2.5 39.3 3 2 A K - 0 0 90 1,-0.1 2,-1.2 2,-0.0 -1,-0.1 -0.428 24.6-135.1 -67.7 127.4 59.1 0.4 38.7 4 3 A D > - 0 0 113 -2,-0.2 3,-1.5 1,-0.1 4,-0.3 -0.747 21.5-161.3 -73.3 92.9 55.4 -0.0 39.5 5 4 A V T 3 S+ 0 0 97 -2,-1.2 -1,-0.1 1,-0.3 4,-0.1 0.568 87.0 50.2 -62.3 -12.6 54.3 1.6 36.2 6 5 A L T >> S+ 0 0 32 1,-0.1 3,-2.1 2,-0.1 4,-0.5 0.687 83.6 99.4 -92.3 -23.0 50.7 2.2 37.6 7 6 A A G X4 S+ 0 0 55 -3,-1.5 3,-1.9 1,-0.3 4,-0.3 0.736 77.7 49.6 -32.7 -59.3 52.0 3.8 40.9 8 7 A E G 34 S+ 0 0 160 -4,-0.3 3,-0.4 1,-0.3 -1,-0.3 0.779 115.1 44.8 -61.5 -28.0 51.6 7.5 40.0 9 8 A Y G X> S+ 0 0 28 -3,-2.1 3,-2.1 1,-0.2 4,-0.6 0.396 78.6 108.8 -96.2 0.8 48.0 7.0 38.8 10 9 A A G X< + 0 0 61 -3,-1.9 3,-0.9 -4,-0.5 -1,-0.2 0.788 68.9 67.0 -49.8 -33.3 47.0 4.8 41.8 11 10 A S G 34 S+ 0 0 107 -3,-0.4 -1,-0.3 -4,-0.3 -2,-0.1 0.799 108.8 35.0 -61.8 -30.8 44.8 7.6 43.2 12 11 A R G <4 S+ 0 0 64 -3,-2.1 137,-2.5 136,-0.1 2,-0.4 0.386 90.5 110.0-104.2 -0.3 42.4 7.4 40.3 13 12 A I E << +a 149 0A 50 -3,-0.9 2,-0.3 -4,-0.6 137,-0.2 -0.642 42.8 156.3 -82.2 126.0 42.5 3.6 39.7 14 13 A V E -a 150 0A 34 135,-2.9 137,-0.5 -2,-0.4 2,-0.1 -0.889 44.9 -85.4-141.7 170.5 39.2 2.0 40.7 15 14 A S > - 0 0 68 -2,-0.3 4,-2.6 135,-0.1 5,-0.1 -0.431 42.2-110.1 -74.6 158.9 37.2 -1.1 40.0 16 15 A A H > S+ 0 0 18 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.854 121.2 51.6 -52.6 -42.3 34.8 -1.1 37.0 17 16 A E H > S+ 0 0 110 2,-0.2 4,-1.1 1,-0.2 -1,-0.2 0.892 109.7 47.9 -64.9 -45.6 31.9 -1.1 39.5 18 17 A E H 4 S+ 0 0 65 2,-0.2 4,-0.4 1,-0.1 -2,-0.2 0.915 112.7 50.8 -60.1 -45.0 33.2 1.9 41.4 19 18 A A H >< S+ 0 0 0 -4,-2.6 3,-1.6 1,-0.2 -2,-0.2 0.959 110.4 44.7 -60.1 -54.9 33.8 3.8 38.1 20 19 A V H >< S+ 0 0 0 -4,-2.3 3,-2.0 1,-0.3 -1,-0.2 0.710 95.0 80.5 -70.2 -19.4 30.3 3.4 36.5 21 20 A K T 3< S+ 0 0 119 -4,-1.1 -1,-0.3 1,-0.3 -2,-0.2 0.755 83.9 63.7 -50.1 -31.0 28.7 4.2 39.9 22 21 A H T < S+ 0 0 56 -3,-1.6 2,-0.3 -4,-0.4 -1,-0.3 0.389 76.8 102.8 -85.4 2.0 29.3 7.9 39.1 23 22 A I < - 0 0 5 -3,-2.0 2,-0.3 -4,-0.1 6,-0.0 -0.676 65.4-145.5 -78.3 143.4 27.0 7.9 36.1 24 23 A K > - 0 0 125 -2,-0.3 3,-1.7 1,-0.1 -2,-0.1 -0.804 23.4 -87.3-117.3 151.3 23.7 9.5 36.9 25 24 A N T 3 S+ 0 0 101 -2,-0.3 3,-0.1 1,-0.2 -1,-0.1 -0.203 112.1 24.1 -55.7 143.5 20.2 8.8 35.7 26 25 A G T 3 S+ 0 0 69 1,-0.3 -1,-0.2 26,-0.1 2,-0.1 0.456 93.0 130.5 80.9 0.2 19.2 10.5 32.5 27 26 A E < - 0 0 19 -3,-1.7 28,-2.8 62,-0.0 2,-0.5 -0.457 57.8-125.6 -85.0 155.5 22.8 10.9 31.3 28 27 A R E -b 55 0A 47 26,-0.2 63,-1.9 -2,-0.1 62,-1.6 -0.929 24.8-162.9-100.6 128.4 24.1 10.0 27.9 29 28 A V E -bc 56 91A 0 26,-2.9 28,-3.1 -2,-0.5 2,-0.4 -0.952 2.9-157.2-116.5 123.1 27.1 7.6 28.0 30 29 A A E -bc 57 92A 1 61,-3.1 63,-2.9 -2,-0.5 2,-0.3 -0.813 10.9-161.6 -98.4 141.1 29.3 7.1 24.9 31 30 A L E - c 0 93A 18 26,-1.2 63,-0.2 -2,-0.4 6,-0.1 -0.922 33.5 -87.1-119.4 149.1 31.4 3.9 24.6 32 31 A S - 0 0 1 61,-1.7 79,-0.1 -2,-0.3 2,-0.1 -0.257 60.3-102.5 -48.9 138.6 34.4 3.1 22.5 33 32 A H > - 0 0 1 4,-0.1 3,-1.9 3,-0.1 -1,-0.1 -0.312 61.7 -38.9 -73.3 147.0 33.2 1.9 19.2 34 33 A A G > S+ 0 0 0 1,-0.3 3,-1.5 2,-0.2 123,-0.1 -0.080 128.5 14.5 52.1-117.8 33.0 -1.7 17.8 35 34 A A G 3 S+ 0 0 0 208,-0.4 122,-1.3 1,-0.3 -1,-0.3 0.710 124.9 59.6 -70.6 -18.1 35.9 -3.9 18.8 36 35 A G G < + 0 0 0 -3,-1.9 59,-0.5 120,-0.1 -1,-0.3 0.138 68.3 143.7 -96.0 16.6 37.1 -1.5 21.5 37 36 A V < - 0 0 13 -3,-1.5 2,-1.5 1,-0.1 120,-0.2 -0.367 63.4-113.1 -55.1 131.3 34.0 -1.6 23.5 38 37 A P > - 0 0 0 0, 0.0 4,-2.2 0, 0.0 3,-0.3 -0.535 36.8-171.9 -74.6 92.2 35.1 -1.4 27.1 39 38 A Q H > S+ 0 0 33 -2,-1.5 4,-2.2 1,-0.2 5,-0.1 0.804 75.7 51.5 -60.2 -40.3 34.1 -4.9 28.3 40 39 A S H > S+ 0 0 34 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.910 113.7 43.8 -64.8 -42.6 34.7 -4.5 32.1 41 40 A C H > S+ 0 0 0 -3,-0.3 4,-2.6 2,-0.2 -2,-0.2 0.878 111.2 54.5 -71.1 -35.8 32.7 -1.3 32.4 42 41 A V H X S+ 0 0 34 -4,-2.2 4,-2.2 2,-0.2 5,-0.2 0.928 108.2 49.9 -62.5 -43.0 29.9 -2.7 30.3 43 42 A D H X S+ 0 0 101 -4,-2.2 4,-1.6 1,-0.2 -2,-0.2 0.914 111.2 48.8 -60.0 -44.5 29.7 -5.7 32.6 44 43 A A H X S+ 0 0 10 -4,-2.0 4,-1.9 1,-0.2 -1,-0.2 0.891 108.2 56.2 -61.4 -40.3 29.5 -3.4 35.6 45 44 A L H < S+ 0 0 20 -4,-2.6 4,-0.5 1,-0.2 -2,-0.2 0.933 107.8 45.5 -56.0 -50.9 26.8 -1.3 33.8 46 45 A V H < S+ 0 0 92 -4,-2.2 3,-0.3 1,-0.2 4,-0.3 0.829 109.9 57.4 -64.9 -29.4 24.5 -4.3 33.3 47 46 A Q H < S+ 0 0 132 -4,-1.6 3,-0.4 1,-0.2 -1,-0.2 0.889 115.4 34.8 -67.1 -41.5 25.1 -5.3 37.0 48 47 A Q S >X S+ 0 0 43 -4,-1.9 4,-1.3 1,-0.2 3,-1.0 0.355 84.8 115.0 -90.3 3.6 23.9 -1.9 38.2 49 48 A A T 34 + 0 0 54 -4,-0.5 -1,-0.2 -3,-0.3 -2,-0.1 0.793 64.9 69.5 -43.6 -36.8 21.3 -1.8 35.4 50 49 A D T 34 S+ 0 0 138 -3,-0.4 -1,-0.3 -4,-0.3 -2,-0.1 0.949 103.8 38.9 -45.8 -60.6 18.7 -2.0 38.2 51 50 A L T <4 0 0 107 -3,-1.0 -2,-0.2 1,-0.1 -1,-0.2 0.966 360.0 360.0 -59.1 -58.6 19.5 1.6 39.5 52 51 A F < 0 0 46 -4,-1.3 -2,-0.2 -7,-0.2 -3,-0.1 0.990 360.0 360.0 -59.6 360.0 20.0 3.2 36.1 53 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 54 54 A V 0 0 60 0, 0.0 2,-0.5 0, 0.0 -26,-0.2 0.000 360.0 360.0 360.0 131.0 20.6 6.3 31.0 55 55 A E E -b 28 0A 58 -28,-2.8 -26,-2.9 2,-0.0 2,-0.6 -0.905 360.0-149.6-110.3 120.8 21.1 6.5 27.3 56 56 A I E -b 29 0A 64 -2,-0.5 2,-0.6 -28,-0.2 -26,-0.2 -0.814 9.1-152.2 -90.9 122.5 23.9 4.6 25.6 57 57 A Y E +b 30 0A 17 -28,-3.1 -26,-1.2 -2,-0.6 2,-0.3 -0.877 36.4 139.7 -94.0 121.8 25.2 6.3 22.5 58 58 A H - 0 0 66 -2,-0.6 -25,-0.1 -28,-0.2 -26,-0.1 -0.910 50.6-138.6-149.8 170.4 26.7 3.8 20.1 59 59 A X + 0 0 16 -2,-0.3 247,-2.9 245,-0.0 2,-0.3 -0.168 60.5 122.1-129.1 40.7 26.9 3.0 16.4 60 60 A L B -F 305 0B 24 245,-0.3 2,-1.0 246,-0.1 245,-0.3 -0.702 64.6-126.0-102.2 153.3 26.4 -0.7 16.5 61 61 A a > - 0 0 3 243,-2.2 3,-1.6 -2,-0.3 2,-0.3 -0.844 30.3-157.2 -93.4 93.4 23.8 -3.0 14.9 62 62 A L T 3 S+ 0 0 124 -2,-1.0 3,-0.1 1,-0.3 242,-0.0 -0.586 80.7 23.4 -73.5 128.4 22.6 -4.8 17.9 63 63 A G T 3 S+ 0 0 83 -2,-0.3 2,-0.3 1,-0.3 -1,-0.3 0.629 112.1 86.9 83.3 13.9 21.1 -8.1 16.8 64 64 A E < 0 0 41 -3,-1.6 -1,-0.3 239,-0.1 -3,-0.2 -0.981 360.0 360.0-134.9 148.2 23.1 -8.1 13.5 65 65 A G 0 0 82 -2,-0.3 238,-0.2 -3,-0.1 -2,-0.2 0.194 360.0 360.0 47.4 360.0 26.6 -9.4 12.8 66 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 67 95 A R > 0 0 133 0, 0.0 3,-1.4 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -33.0 14.8 3.2 17.0 68 96 A A T 3 + 0 0 102 1,-0.3 0, 0.0 3,-0.0 0, 0.0 0.883 360.0 41.2 -55.4 -41.0 13.2 6.2 18.9 69 97 A D T 3 S+ 0 0 112 2,-0.1 -1,-0.3 0, 0.0 2,-0.1 0.433 85.3 123.3 -91.3 0.0 16.6 7.3 20.3 70 98 A F < - 0 0 144 -3,-1.4 -13,-0.0 1,-0.1 0, 0.0 -0.395 51.1-151.2 -61.8 136.7 18.4 6.8 17.0 71 99 A I - 0 0 51 -2,-0.1 2,-0.2 2,-0.0 -1,-0.1 -0.906 6.7-142.1-115.9 102.8 20.1 10.1 15.9 72 100 A P + 0 0 105 0, 0.0 2,-0.3 0, 0.0 236,-0.0 -0.428 43.3 139.2 -64.5 127.4 20.5 10.4 12.1 73 101 A V - 0 0 37 -2,-0.2 2,-0.4 0, 0.0 3,-0.0 -0.971 58.7 -99.6-160.8 152.1 23.8 12.1 11.4 74 102 A F >> - 0 0 60 -2,-0.3 3,-1.4 1,-0.1 4,-0.7 -0.705 36.6-127.8 -74.6 137.1 26.7 11.8 8.9 75 103 A F G >4 S+ 0 0 0 -2,-0.4 3,-1.6 233,-0.3 -1,-0.1 0.916 107.8 53.4 -55.1 -48.5 29.5 9.9 10.7 76 104 A Y G 34 S+ 0 0 52 192,-0.3 4,-0.3 1,-0.3 -1,-0.3 0.711 106.3 55.9 -59.4 -20.9 32.1 12.5 9.9 77 105 A E G <> S+ 0 0 77 -3,-1.4 4,-1.9 1,-0.2 -1,-0.3 0.570 82.9 87.2 -87.3 -13.9 29.9 15.2 11.4 78 106 A V H S+ 0 0 0 0, 0.0 4,-3.0 0, 0.0 -1,-0.2 0.926 111.0 44.9 -59.2 -43.4 32.7 15.0 16.5 80 108 A S H > S+ 0 0 38 -4,-0.3 4,-2.5 1,-0.2 6,-0.3 0.897 112.1 53.1 -66.4 -35.7 31.7 18.6 15.8 81 109 A X H <>S+ 0 0 38 -4,-1.9 6,-2.4 2,-0.2 5,-1.4 0.855 111.5 47.0 -64.1 -34.4 28.1 17.9 16.9 82 110 A I H ><5S+ 0 0 2 -4,-2.3 3,-1.7 4,-0.2 -2,-0.2 0.945 112.9 47.9 -70.3 -48.0 29.6 16.5 20.1 83 111 A R H 3<5S+ 0 0 120 -4,-3.0 -2,-0.2 1,-0.3 -1,-0.2 0.804 111.4 50.7 -64.8 -30.9 32.0 19.5 20.5 84 112 A K T 3<5S- 0 0 144 -4,-2.5 -1,-0.3 -5,-0.2 -2,-0.2 0.234 111.7-120.5 -87.4 13.3 29.1 21.9 19.9 85 113 A D T < 5S+ 0 0 103 -3,-1.7 3,-0.4 2,-0.3 -3,-0.2 0.623 82.4 121.7 51.5 17.5 26.9 20.2 22.5 86 114 A I S - 0 0 45 4,-2.7 3,-1.5 -3,-0.1 5,-0.0 -0.114 41.6 -82.6 -77.0-174.0 53.6 5.5 27.4 101 129 A E T 3 S+ 0 0 195 1,-0.3 -1,-0.1 2,-0.1 0, 0.0 0.743 130.9 55.5 -66.5 -26.3 56.5 7.1 29.3 102 130 A N T 3 S- 0 0 123 2,-0.1 -1,-0.3 40,-0.0 40,-0.0 0.406 122.1-104.3 -86.7 -1.6 55.0 10.5 28.7 103 131 A G S < S+ 0 0 4 -3,-1.5 40,-2.9 1,-0.3 2,-0.5 0.597 75.7 138.2 87.9 14.8 51.7 9.6 30.2 104 132 A Y E -G 142 0C 99 38,-0.2 -4,-2.7 39,-0.1 2,-0.4 -0.811 35.3-161.8 -96.5 129.4 49.8 9.2 26.9 105 133 A C E -G 141 0C 0 36,-2.9 36,-2.1 -2,-0.5 2,-0.3 -0.859 15.6-131.3-100.2 145.6 47.4 6.3 26.3 106 134 A S E -G 140 0C 0 -8,-0.4 -9,-2.3 -2,-0.4 34,-0.2 -0.650 11.3-133.5 -89.1 149.4 46.3 5.3 22.8 107 135 A F > - 0 0 0 32,-2.4 3,-2.0 -2,-0.3 -12,-0.1 0.409 42.3-161.3 -77.7 6.3 42.6 4.8 21.8 108 136 A G T 3 - 0 0 0 31,-0.4 -1,-0.3 1,-0.2 26,-0.1 -0.268 64.3 -4.3 51.6-125.6 43.9 1.6 20.2 109 137 A V T 3 S+ 0 0 0 1,-0.2 134,-2.5 -3,-0.1 2,-0.4 0.424 127.5 65.8 -80.6 -2.9 41.5 0.2 17.6 110 138 A S B < +H 242 0D 0 -3,-2.0 132,-0.2 132,-0.2 -1,-0.2 -0.797 45.6 130.9-130.3 90.2 38.7 2.8 18.3 111 139 A C >> + 0 0 0 130,-1.6 4,-2.6 -2,-0.4 3,-0.6 0.849 43.9 102.0 -96.3 -71.9 39.5 6.4 17.4 112 140 A D T 34 S- 0 0 0 129,-2.3 152,-2.1 150,-0.5 153,-0.4 0.178 111.7 -28.7 39.0-119.5 36.3 7.3 15.4 113 141 A Y T 3> S+ 0 0 2 150,-0.2 4,-2.7 151,-0.1 -1,-0.3 0.434 127.3 84.5-100.3 -8.0 34.0 9.4 17.7 114 142 A S H <> S+ 0 0 1 -3,-0.6 4,-2.3 2,-0.2 -2,-0.2 0.918 92.4 44.5 -61.7 -44.8 35.4 7.7 20.8 115 143 A K H X S+ 0 0 5 -4,-2.6 4,-2.0 2,-0.2 -1,-0.2 0.960 113.5 48.9 -65.6 -52.7 38.3 10.1 21.0 116 144 A P H > S+ 0 0 1 0, 0.0 4,-0.8 0, 0.0 -2,-0.2 0.884 111.2 52.4 -52.2 -39.3 36.2 13.2 20.3 117 145 A A H >X S+ 0 0 1 -4,-2.7 4,-2.5 1,-0.2 3,-1.1 0.943 108.8 48.7 -62.4 -48.1 33.8 11.9 23.0 118 146 A A H 3< S+ 0 0 5 -4,-2.3 -1,-0.2 1,-0.3 -3,-0.1 0.836 110.2 53.0 -59.5 -32.9 36.6 11.5 25.6 119 147 A E H 3< S+ 0 0 95 -4,-2.0 -1,-0.3 1,-0.2 -2,-0.2 0.634 120.5 31.2 -81.0 -13.5 37.8 15.0 24.7 120 148 A S H << S+ 0 0 53 -3,-1.1 -2,-0.2 -4,-0.8 -1,-0.2 0.627 88.7 109.7-113.5 -22.0 34.4 16.6 25.3 121 149 A A < - 0 0 12 -4,-2.5 -31,-0.2 -5,-0.1 -30,-0.1 -0.305 65.3-132.7 -70.1 146.8 32.6 14.6 28.0 122 150 A H S S+ 0 0 157 -33,-0.9 2,-0.4 1,-0.2 -31,-0.2 0.843 98.6 29.1 -58.1 -40.0 31.9 16.0 31.5 123 151 A L E S-d 91 0A 26 -33,-1.7 -31,-2.3 -34,-0.1 2,-0.5 -0.994 73.2-164.6-130.6 132.0 33.2 12.7 33.0 124 152 A V E -d 92 0A 5 -2,-0.4 23,-1.8 -33,-0.2 24,-1.8 -0.981 4.8-170.6-125.3 121.8 35.7 10.4 31.4 125 153 A I E -de 93 148A 0 -33,-3.0 -31,-2.6 -2,-0.5 2,-0.6 -0.972 10.7-159.2-108.5 121.5 36.4 6.8 32.4 126 154 A G E -de 94 149A 0 22,-2.6 24,-2.6 -2,-0.5 2,-0.9 -0.919 4.0-157.4-103.5 120.5 39.4 5.2 30.8 127 155 A E E -de 95 150A 0 -33,-3.2 -31,-2.7 -2,-0.6 2,-0.9 -0.843 12.4-157.8 -97.5 101.1 39.5 1.4 30.7 128 156 A I E -de 96 151A 3 22,-1.4 24,-2.3 -2,-0.9 2,-0.5 -0.705 10.6-170.9 -88.6 107.2 43.2 0.6 30.4 129 157 A N E > - e 0 152A 0 -33,-2.3 3,-1.6 -2,-0.9 -31,-0.4 -0.839 24.7-146.7-103.2 127.2 43.5 -2.9 28.9 130 158 A R T 3 S+ 0 0 108 22,-2.2 23,-0.1 -2,-0.5 -1,-0.1 0.780 103.8 50.5 -59.3 -24.5 47.0 -4.6 28.8 131 159 A Q T 3 S+ 0 0 74 23,-0.3 25,-0.3 21,-0.1 -1,-0.3 0.449 80.8 104.6 -98.4 -1.7 45.8 -6.2 25.5 132 160 A X S < S- 0 0 6 -3,-1.6 -34,-0.4 -36,-0.3 -24,-0.1 -0.700 76.3-123.9 -76.4 121.9 44.5 -3.0 23.8 133 161 A P - 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0 0 52 1,-0.1 3,-2.4 2,-0.1 -1,-0.1 -0.288 61.0 -82.0 -66.3 149.5 10.3 -0.5 1.3 347 375 A E T 3 S+ 0 0 195 1,-0.3 -1,-0.1 -3,-0.1 -3,-0.0 -0.304 115.1 1.8 -52.0 122.5 7.6 1.5 3.1 348 376 A G T 3 S+ 0 0 81 1,-0.2 -1,-0.3 -3,-0.1 -2,-0.1 0.468 92.4 154.4 76.5 2.0 9.2 4.0 5.5 349 377 A A < - 0 0 20 -3,-2.4 2,-0.6 1,-0.1 -1,-0.2 -0.305 43.7-122.8 -64.7 146.7 12.7 3.0 4.5 350 378 A A - 0 0 48 2,-0.0 -54,-0.5 0, 0.0 2,-0.2 -0.839 16.6-135.6 -93.7 115.8 15.4 5.7 4.9 351 379 A V E +U 295 0G 50 -2,-0.6 -56,-0.2 -56,-0.2 3,-0.1 -0.523 24.5 178.3 -61.6 132.1 17.4 6.6 1.8 352 380 A T E + 0 0 44 -58,-3.2 2,-0.4 1,-0.4 -57,-0.2 0.633 69.9 34.2-116.5 -22.1 21.1 6.8 2.8 353 381 A T E S-U 294 0G 0 -59,-1.6 -59,-2.1 -39,-0.0 -1,-0.4 -0.994 89.3-122.2-132.8 129.6 22.7 7.6 -0.6 354 382 A L >> - 0 0 89 -2,-0.4 3,-2.0 -61,-0.2 4,-1.2 -0.295 15.2-122.9 -73.0 149.8 20.8 9.8 -3.0 355 383 A R T 34 S+ 0 0 94 1,-0.3 3,-0.3 2,-0.2 -1,-0.1 0.860 112.9 62.2 -57.3 -32.3 19.9 8.6 -6.5 356 384 A N T 34 S+ 0 0 124 1,-0.2 -1,-0.3 15,-0.1 -63,-0.1 0.607 110.2 38.5 -68.6 -14.5 21.8 11.7 -7.8 357 385 A E T <4 S+ 0 0 25 -3,-2.0 -1,-0.2 -65,-0.1 -2,-0.2 0.578 81.0 114.0-114.5 -9.9 25.0 10.4 -6.3 358 386 A V < + 0 0 2 -4,-1.2 3,-0.1 -3,-0.3 -32,-0.1 -0.319 36.1 174.6 -63.3 144.7 25.1 6.6 -6.8 359 387 A D + 0 0 13 1,-0.4 11,-3.1 -34,-0.1 12,-0.4 0.557 54.1 10.0-116.6 -94.2 27.9 5.6 -9.2 360 388 A Y E -pQ 326 369E 30 -35,-2.6 -33,-2.4 9,-0.2 -1,-0.4 -0.680 56.1-164.8 -92.0 144.1 28.5 1.8 -9.8 361 389 A V E -pQ 327 368E 0 7,-2.9 7,-2.7 -2,-0.3 2,-0.4 -0.996 11.6-168.0-124.9 133.3 26.3 -1.0 -8.6 362 390 A V E +pQ 328 367E 0 -35,-3.1 -33,-3.0 -2,-0.4 2,-0.2 -0.985 13.7 161.3-130.7 127.3 27.7 -4.5 -8.6 363 391 A T E > - Q 0 366E 0 3,-2.4 3,-1.4 -2,-0.4 -189,-0.1 -0.742 58.5 -89.7-122.8 179.1 26.0 -7.9 -8.1 364 392 A E T 3 S+ 0 0 28 -35,-0.3 3,-0.1 -2,-0.2 22,-0.1 0.646 126.8 57.9 -59.9 -16.8 27.0 -11.5 -8.9 365 393 A Y T 3 S- 0 0 97 20,-0.5 2,-0.3 1,-0.3 -1,-0.2 0.512 118.8 -83.8 -97.8 -4.1 25.3 -10.8 -12.3 366 394 A G E < -Q 363 0E 14 -3,-1.4 -3,-2.4 19,-0.2 2,-0.4 -0.926 49.6 -49.8 141.8-160.9 27.5 -7.9 -13.3 367 395 A I E -Q 362 0E 54 -2,-0.3 2,-0.4 -5,-0.2 -5,-0.2 -0.907 32.5-173.4-121.6 136.2 28.3 -4.2 -13.1 368 396 A A E -Q 361 0E 6 -7,-2.7 -7,-2.9 -2,-0.4 2,-0.5 -0.999 10.2-158.3-125.7 134.4 26.1 -1.1 -13.7 369 397 A Q E +Q 360 0E 78 -2,-0.4 -9,-0.2 -9,-0.2 -10,-0.1 -0.969 11.6 179.7-108.0 120.1 27.2 2.5 -13.8 370 398 A L > + 0 0 0 -11,-3.1 3,-2.1 -2,-0.5 2,-0.2 0.672 43.2 109.2 -94.7 -21.1 24.3 4.8 -13.2 371 399 A K T 3 S+ 0 0 87 -12,-0.4 3,-0.1 1,-0.3 -12,-0.1 -0.427 91.6 11.7 -63.6 125.2 25.9 8.3 -13.3 372 400 A G T 3 S+ 0 0 82 1,-0.3 2,-0.3 -2,-0.2 -1,-0.3 0.294 100.4 123.5 90.4 -8.7 24.7 10.1 -16.5 373 401 A K < - 0 0 78 -3,-2.1 -1,-0.3 1,-0.1 -3,-0.0 -0.647 60.0-124.2 -87.7 144.4 22.0 7.5 -17.2 374 402 A S > - 0 0 50 -2,-0.3 4,-2.9 -3,-0.1 5,-0.2 -0.224 35.4 -97.8 -69.0 170.8 18.3 8.5 -17.6 375 403 A L H > S+ 0 0 68 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.892 127.5 48.6 -60.2 -41.9 15.7 6.9 -15.4 376 404 A R H > S+ 0 0 115 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.960 113.8 46.3 -60.0 -53.4 14.8 4.5 -18.3 377 405 A Q H > S+ 0 0 78 1,-0.2 4,-2.7 2,-0.2 -2,-0.2 0.859 112.3 50.8 -58.7 -39.6 18.5 3.6 -18.8 378 406 A R H X S+ 0 0 19 -4,-2.9 4,-2.4 2,-0.2 5,-0.2 0.955 110.1 49.0 -64.3 -49.0 19.1 3.2 -15.0 379 407 A A H X S+ 0 0 1 -4,-2.5 4,-2.4 1,-0.2 -2,-0.2 0.923 114.2 45.9 -52.3 -52.5 16.1 0.9 -14.7 380 408 A E H X S+ 0 0 81 -4,-2.6 4,-2.0 1,-0.2 -1,-0.2 0.919 112.2 51.1 -59.2 -45.5 17.3 -1.2 -17.7 381 409 A A H < S+ 0 0 21 -4,-2.7 4,-0.5 1,-0.2 -1,-0.2 0.861 113.6 44.0 -60.5 -40.3 20.9 -1.3 -16.3 382 410 A L H >X S+ 0 0 0 -4,-2.4 3,-0.8 -92,-0.2 4,-0.6 0.855 109.1 57.3 -75.4 -34.6 19.8 -2.5 -12.9 383 411 A I H >< S+ 0 0 14 -4,-2.4 3,-1.4 1,-0.2 -2,-0.2 0.923 100.4 57.9 -62.6 -41.2 17.4 -5.1 -14.3 384 412 A A T 3< S+ 0 0 61 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.708 111.6 41.8 -65.2 -19.4 20.2 -6.7 -16.2 385 413 A I T <4 S+ 0 0 8 -3,-0.8 -20,-0.5 -4,-0.5 -1,-0.3 0.370 95.6 100.0-109.2 6.3 22.1 -7.3 -12.9 386 414 A A S << S- 0 0 0 -3,-1.4 -54,-0.1 -4,-0.6 5,-0.1 -0.412 92.1 -81.6 -77.8 159.9 19.1 -8.3 -10.9 387 415 A H >> - 0 0 38 -56,-0.4 3,-2.1 1,-0.1 4,-0.8 -0.410 38.8-121.4 -58.4 136.9 18.4 -12.0 -10.3 388 416 A P H >> S+ 0 0 61 0, 0.0 3,-0.6 0, 0.0 4,-0.5 0.822 111.0 64.1 -50.4 -34.4 16.7 -13.6 -13.3 389 417 A D H 34 S+ 0 0 125 1,-0.2 4,-0.2 2,-0.1 -50,-0.1 0.674 109.6 38.5 -67.4 -15.3 13.7 -14.6 -11.1 390 418 A F H <> S+ 0 0 44 -3,-2.1 4,-2.3 2,-0.1 -1,-0.2 0.518 91.6 88.1-109.9 -5.8 12.9 -10.9 -10.5 391 419 A R H S+ 0 0 112 -4,-0.2 4,-1.9 2,-0.2 -2,-0.2 0.870 114.9 51.9 -67.3 -37.9 8.3 -8.2 -12.5 394 422 A L H X S+ 0 0 5 -4,-2.3 4,-2.5 1,-0.2 -2,-0.2 0.931 108.3 52.8 -61.5 -43.0 10.9 -5.4 -12.5 395 423 A T H X S+ 0 0 36 -4,-2.4 4,-2.4 2,-0.2 -1,-0.2 0.836 105.3 53.9 -62.7 -33.2 10.5 -5.1 -16.3 396 424 A K H X S+ 0 0 118 -4,-1.5 4,-2.8 2,-0.2 -1,-0.2 0.937 108.1 48.6 -73.7 -37.2 6.7 -4.7 -15.9 397 425 A H H X S+ 0 0 28 -4,-1.9 4,-2.3 1,-0.2 -2,-0.2 0.926 110.2 53.5 -59.9 -42.9 7.2 -1.8 -13.4 398 426 A L H X S+ 0 0 10 -4,-2.5 4,-2.9 1,-0.2 5,-0.2 0.941 112.0 45.3 -51.8 -46.9 9.7 -0.4 -16.0 399 427 A R H X S+ 0 0 145 -4,-2.4 4,-2.1 1,-0.2 -2,-0.2 0.887 109.3 52.4 -70.6 -42.8 6.9 -0.6 -18.6 400 428 A K H < S+ 0 0 159 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.899 118.5 40.0 -54.4 -43.0 4.1 0.8 -16.4 401 429 A R H < S+ 0 0 90 -4,-2.3 -2,-0.2 -5,-0.2 -1,-0.2 0.905 135.6 11.6 -74.6 -48.1 6.4 3.8 -15.8 402 430 A F H < 0 0 86 -4,-2.9 -3,-0.2 -5,-0.2 -2,-0.2 0.248 360.0 360.0-120.6 10.8 8.1 4.5 -19.1 403 431 A G < 0 0 81 -4,-2.1 -4,-0.2 -5,-0.2 -3,-0.1 0.481 360.0 360.0 63.6 360.0 6.2 2.4 -21.6