==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=4-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 17-AUG-07 2QZS . COMPND 2 MOLECULE: GLYCOGEN SYNTHASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR F.SHENG,J.GEIGER . 477 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 18713.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 356 74.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 61 12.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 26 5.5 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 . 2 0.4 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 . 35 7.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 63 13.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 147 30.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 10 2.1 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 3 1 2 1 1 1 0 3 0 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 1 2 3 4 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 PARALLEL BRIDGES PER LADDER . 2 1 1 0 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 ANTIPARALLEL BRIDGES PER LADDER . 0 1 0 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 1 A M 0 0 43 0, 0.0 35,-2.8 0, 0.0 2,-0.5 0.000 360.0 360.0 360.0 114.9 21.6 -34.8 33.6 2 2 A Q E -a 36 0A 63 33,-0.2 129,-2.6 127,-0.1 130,-1.7 -0.932 360.0-173.3-112.3 127.0 24.5 -32.6 32.5 3 3 A V E -ab 37 132A 0 33,-2.2 35,-2.7 -2,-0.5 2,-0.5 -0.961 12.4-156.5-125.7 135.9 24.0 -28.8 32.0 4 4 A L E -ab 38 133A 0 128,-2.4 130,-3.8 -2,-0.4 2,-0.4 -0.954 9.5-153.0-110.0 121.0 26.3 -26.2 30.6 5 5 A H E -ab 39 134A 0 33,-2.6 35,-2.9 -2,-0.5 2,-0.5 -0.801 7.8-161.3 -87.3 133.9 25.8 -22.5 31.6 6 6 A V E +ab 40 135A 0 128,-2.4 130,-2.0 -2,-0.4 2,-0.3 -0.983 32.2 130.8-118.1 119.9 27.0 -20.0 29.0 7 7 A C - 0 0 0 33,-2.0 130,-0.1 -2,-0.5 3,-0.1 -0.923 57.9-119.1-158.6 176.8 27.5 -16.5 30.4 8 8 A S S S+ 0 0 0 -2,-0.3 2,-0.3 128,-0.2 36,-0.1 0.484 85.8 34.4-109.2 -4.6 30.0 -13.6 30.5 9 9 A E - 0 0 2 10,-0.1 2,-0.3 2,-0.0 6,-0.2 -0.987 48.8-176.4-150.6 161.9 30.7 -13.3 34.2 10 10 A M B >> -I 14 0B 7 4,-1.5 4,-2.5 -2,-0.3 3,-1.1 -0.832 33.7 -96.8-160.6 119.6 31.1 -15.1 37.5 11 11 A F T 34 S+ 0 0 36 9,-2.2 4,-0.0 1,-0.3 -2,-0.0 -0.480 101.8 18.5 -68.7 144.1 31.7 -14.0 41.0 12 12 A P T 34 S+ 0 0 57 0, 0.0 -1,-0.3 0, 0.0 3,-0.2 -0.963 128.0 49.4 -92.8 7.5 34.3 -13.8 42.5 13 13 A L T <4 S- 0 0 19 -3,-1.1 2,-0.3 1,-0.3 -2,-0.2 0.912 127.2 -2.4 -75.2 -44.7 36.4 -13.8 39.3 14 14 A L B < S+I 10 0B 18 -4,-2.5 -4,-1.5 6,-0.1 2,-0.4 -0.919 70.9 165.9-152.6 125.9 34.5 -11.2 37.3 15 15 A K + 0 0 38 -2,-0.3 3,-0.1 -3,-0.2 -6,-0.0 -0.994 22.8 158.3-145.3 132.4 31.4 -9.2 38.3 16 16 A T S S- 0 0 51 -2,-0.4 2,-0.3 1,-0.3 -1,-0.1 0.408 78.9 -22.6-123.4 -12.0 29.6 -6.1 37.1 17 17 A G S >> S- 0 0 18 282,-0.0 3,-1.1 283,-0.0 4,-0.8 -0.927 95.2 -44.9-170.8-160.4 26.2 -6.9 38.6 18 18 A G H 3> S+ 0 0 35 1,-0.3 4,-2.0 -2,-0.3 3,-0.3 0.758 115.6 71.7 -58.2 -32.1 23.8 -9.6 39.9 19 19 A L H 3> S+ 0 0 16 1,-0.2 4,-2.5 2,-0.2 5,-0.3 0.903 95.1 53.8 -51.5 -46.6 24.5 -12.0 37.1 20 20 A A H <> S+ 0 0 0 -3,-1.1 -9,-2.2 1,-0.2 4,-1.7 0.897 106.3 52.3 -57.6 -43.7 28.0 -12.7 38.4 21 21 A D H X S+ 0 0 13 -4,-0.8 4,-0.8 -3,-0.3 -1,-0.2 0.896 110.6 48.3 -57.2 -46.2 26.5 -13.6 41.8 22 22 A V H >X S+ 0 0 1 -4,-2.0 4,-3.1 1,-0.2 3,-1.0 0.937 112.2 46.6 -57.5 -50.5 24.0 -16.1 40.2 23 23 A I H 3< S+ 0 0 2 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.806 109.5 56.6 -70.9 -24.2 26.7 -17.8 38.1 24 24 A G H 3< S+ 0 0 21 -4,-1.7 -1,-0.3 -5,-0.3 -2,-0.2 0.699 123.1 21.2 -77.5 -19.0 29.0 -18.1 41.1 25 25 A A H S+ 0 0 1 0, 0.0 4,-2.7 0, 0.0 10,-0.3 0.915 108.4 49.6 -54.1 -42.6 26.0 -24.4 39.7 28 28 A A H > S+ 0 0 50 1,-0.2 4,-1.6 2,-0.2 -2,-0.2 0.908 112.3 49.9 -63.9 -37.9 27.3 -25.7 43.0 29 29 A A H X S+ 0 0 9 -4,-1.6 4,-1.6 2,-0.2 -1,-0.2 0.919 109.6 50.7 -66.4 -41.9 23.7 -25.8 44.3 30 30 A Q H <>S+ 0 0 1 -4,-2.6 5,-2.7 1,-0.2 4,-0.4 0.918 106.4 54.6 -61.5 -43.1 22.6 -27.7 41.2 31 31 A I H ><5S+ 0 0 72 -4,-2.7 3,-1.1 1,-0.2 -1,-0.2 0.906 108.3 49.4 -57.9 -36.9 25.4 -30.3 41.7 32 32 A A H 3<5S+ 0 0 65 -4,-1.6 -1,-0.2 1,-0.3 -2,-0.2 0.820 109.1 52.5 -74.1 -25.9 24.1 -30.8 45.3 33 33 A D T 3<5S- 0 0 39 -4,-1.6 -1,-0.3 -3,-0.2 -2,-0.2 0.336 130.2 -94.9 -91.0 6.8 20.6 -31.3 43.9 34 34 A G T < 5S+ 0 0 56 -3,-1.1 2,-0.5 -4,-0.4 -3,-0.2 0.625 85.3 121.4 95.3 15.1 21.9 -33.9 41.5 35 35 A V < - 0 0 2 -5,-2.7 2,-1.5 -6,-0.1 -1,-0.3 -0.942 61.3-131.8-107.9 131.4 22.5 -32.0 38.2 36 36 A D E -a 2 0A 61 -35,-2.8 -33,-2.2 -2,-0.5 2,-0.5 -0.620 37.1-174.8 -82.8 92.2 26.1 -32.1 36.8 37 37 A A E +a 3 0A 0 -2,-1.5 41,-0.5 -10,-0.3 2,-0.3 -0.758 11.2 175.0 -98.9 126.4 26.5 -28.4 36.1 38 38 A R E -ac 4 78A 43 -35,-2.7 -33,-2.6 -2,-0.5 2,-0.4 -0.827 20.0-134.2-121.3 161.8 29.5 -26.8 34.4 39 39 A V E -ac 5 79A 0 39,-2.3 41,-4.0 -2,-0.3 2,-0.5 -0.959 6.5-158.1-120.4 139.9 30.1 -23.2 33.3 40 40 A L E +ac 6 80A 0 -35,-2.9 -33,-2.0 -2,-0.4 41,-0.2 -0.974 23.1 165.0-115.2 122.6 31.5 -21.7 30.0 41 41 A L E - c 0 81A 0 39,-2.3 41,-2.3 -2,-0.5 -33,-0.2 -0.967 42.5-103.8-131.8 151.1 33.0 -18.2 30.1 42 42 A P E - c 0 82A 0 0, 0.0 2,-2.0 0, 0.0 41,-0.2 -0.474 44.7-109.5 -64.0 146.8 35.2 -16.2 27.8 43 43 A A + 0 0 4 39,-2.3 41,-0.2 -2,-0.1 45,-0.1 -0.464 50.0 173.2 -79.7 64.3 38.8 -16.2 29.1 44 44 A F >> - 0 0 7 -2,-2.0 4,-2.7 -36,-0.1 3,-0.7 -0.456 47.3-104.2 -61.3 149.9 38.8 -12.6 30.2 45 45 A P H 3> S+ 0 0 47 0, 0.0 4,-2.3 0, 0.0 5,-0.2 0.849 120.0 48.5 -53.8 -45.2 42.1 -11.9 32.1 46 46 A D H 3> S+ 0 0 65 2,-0.2 4,-1.1 1,-0.2 -32,-0.1 0.852 115.7 46.6 -64.7 -31.5 40.5 -11.9 35.6 47 47 A I H <> S+ 0 0 0 -3,-0.7 4,-1.5 2,-0.2 3,-0.3 0.964 111.3 49.5 -70.1 -51.3 38.7 -15.1 34.8 48 48 A R H < S+ 0 0 84 -4,-2.7 6,-0.2 1,-0.2 -2,-0.2 0.864 111.1 50.1 -55.2 -41.7 41.8 -16.8 33.3 49 49 A R H < S+ 0 0 183 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.831 107.1 55.2 -72.4 -27.1 44.0 -15.9 36.3 50 50 A G H < S+ 0 0 17 -4,-1.1 2,-1.3 -3,-0.3 -1,-0.2 0.836 95.5 67.6 -71.9 -31.4 41.4 -17.2 38.8 51 51 A V >< + 0 0 0 -4,-1.5 3,-1.2 1,-0.2 -1,-0.2 -0.643 63.0 169.9 -92.4 87.7 41.2 -20.7 37.2 52 52 A T T 3 + 0 0 127 -2,-1.3 -1,-0.2 1,-0.3 22,-0.1 0.581 69.1 51.4 -82.7 -9.7 44.7 -22.0 38.1 53 53 A D T 3 S+ 0 0 71 20,-0.4 -1,-0.3 2,-0.1 18,-0.1 0.188 76.7 143.1-108.2 17.4 44.3 -25.7 37.1 54 54 A A < - 0 0 14 -3,-1.2 2,-0.3 -6,-0.2 18,-0.3 -0.332 27.9-171.9 -63.0 131.7 42.9 -25.0 33.6 55 55 A Q E -D 71 0A 143 16,-3.0 16,-2.7 -2,-0.1 2,-0.3 -0.885 30.1 -89.6-125.2 158.9 44.1 -27.5 31.0 56 56 A V E +D 70 0A 103 -2,-0.3 14,-0.2 14,-0.2 3,-0.1 -0.465 38.8 168.2 -68.9 125.9 43.8 -27.7 27.3 57 57 A V E - 0 0 39 12,-3.1 2,-0.3 1,-0.4 13,-0.2 0.807 63.0 -29.1 -98.5 -52.6 40.7 -29.5 26.0 58 58 A S E -D 69 0A 17 11,-1.3 11,-2.9 67,-0.1 2,-0.4 -0.992 44.3-131.3-158.9 163.8 40.9 -28.6 22.2 59 59 A R E +D 68 0A 140 -2,-0.3 2,-0.3 9,-0.2 9,-0.2 -0.982 31.1 172.3-117.6 136.0 41.9 -26.1 19.6 60 60 A R E -D 67 0A 97 7,-2.0 7,-2.7 -2,-0.4 2,-0.2 -0.990 30.7-127.6-138.6 151.1 39.5 -25.0 16.8 61 61 A D + 0 0 109 -2,-0.3 2,-0.3 5,-0.2 5,-0.2 -0.647 36.1 179.4 -87.0 160.3 39.2 -22.4 14.0 62 62 A T > - 0 0 14 -2,-0.2 3,-2.3 1,-0.0 50,-0.0 -0.948 47.7 -97.9-157.6 154.8 36.1 -20.4 14.1 63 63 A F T 3 S+ 0 0 39 -2,-0.3 3,-0.1 1,-0.3 115,-0.1 0.721 129.8 46.9 -51.6 -24.8 34.4 -17.5 12.1 64 64 A A T 3 S- 0 0 10 1,-0.4 -1,-0.3 44,-0.1 2,-0.2 0.353 126.3 -96.4-100.2 6.9 35.9 -15.3 14.8 65 65 A G < - 0 0 21 -3,-2.3 -1,-0.4 2,-0.0 2,-0.2 -0.605 65.8 -22.6 106.1-174.5 39.4 -16.9 14.7 66 66 A H - 0 0 90 -2,-0.2 2,-0.4 -5,-0.2 -5,-0.2 -0.435 52.1-168.0 -79.4 147.1 41.1 -19.6 16.7 67 67 A I E -D 60 0A 2 -7,-2.7 -7,-2.0 -2,-0.2 2,-0.5 -0.943 17.1-151.6-123.8 150.5 40.1 -20.7 20.2 68 68 A T E -DE 59 83A 23 15,-2.3 15,-2.7 -2,-0.4 2,-0.6 -0.994 21.6-146.5-107.4 115.6 41.8 -22.9 22.8 69 69 A L E -DE 58 82A 0 -11,-2.9 -12,-3.1 -2,-0.5 -11,-1.3 -0.775 20.7-169.7 -79.4 120.9 39.1 -24.4 24.9 70 70 A L E -DE 56 81A 11 11,-2.7 11,-2.2 -2,-0.6 2,-0.4 -0.813 8.0-161.7-106.2 154.4 40.4 -24.8 28.5 71 71 A F E +DE 55 80A 32 -16,-2.7 -16,-3.0 -2,-0.3 9,-0.2 -0.996 26.7 131.1-136.4 130.7 38.8 -26.7 31.3 72 72 A G E - E 0 79A 1 7,-2.3 7,-3.0 -2,-0.4 2,-0.4 -0.732 45.4 -95.7-147.5-153.9 39.6 -26.3 35.0 73 73 A H E - E 0 78A 86 5,-0.3 2,-0.4 -2,-0.2 -20,-0.4 -0.982 18.9-169.5-137.7 142.8 37.7 -25.9 38.3 74 74 A Y E > S- E 0 77A 61 3,-2.5 3,-2.1 -2,-0.4 -23,-0.1 -0.967 81.9 -15.5-132.5 124.8 36.8 -23.0 40.5 75 75 A N T 3 S- 0 0 110 -2,-0.4 -1,-0.1 1,-0.3 3,-0.1 0.898 130.2 -53.2 56.2 38.7 35.4 -23.7 44.0 76 76 A G T 3 S+ 0 0 67 1,-0.2 2,-0.4 -48,-0.0 -1,-0.3 0.466 114.1 116.3 73.2 1.2 34.8 -27.3 43.0 77 77 A V E < S- E 0 74A 13 -3,-2.1 -3,-2.5 -39,-0.0 2,-0.4 -0.837 71.3-111.7-104.1 145.2 32.8 -26.5 39.9 78 78 A G E -cE 38 73A 7 -41,-0.5 -39,-2.3 -2,-0.4 2,-0.5 -0.580 36.4-169.3 -71.8 124.1 33.9 -27.3 36.3 79 79 A I E -cE 39 72A 0 -7,-3.0 -7,-2.3 -2,-0.4 2,-0.4 -0.964 10.5-159.5-121.1 119.0 34.8 -24.2 34.4 80 80 A Y E -cE 40 71A 0 -41,-4.0 -39,-2.3 -2,-0.5 2,-0.4 -0.785 11.6-160.7 -89.8 139.4 35.4 -24.0 30.6 81 81 A L E -cE 41 70A 0 -11,-2.2 -11,-2.7 -2,-0.4 2,-1.2 -0.974 14.4-143.1-121.6 130.6 37.3 -21.0 29.4 82 82 A I E -cE 42 69A 0 -41,-2.3 -39,-2.3 -2,-0.4 2,-0.9 -0.769 20.7-161.4 -91.2 98.7 37.3 -19.8 25.7 83 83 A D E + E 0 68A 42 -15,-2.7 -15,-2.3 -2,-1.2 -39,-0.1 -0.755 33.3 142.9 -88.2 109.7 40.9 -18.6 25.4 84 84 A A >> - 0 0 0 -2,-0.9 4,-2.4 -17,-0.2 3,-2.4 -0.723 25.5-173.2-142.7 81.6 41.0 -16.3 22.3 85 85 A P H 3> S+ 0 0 69 0, 0.0 4,-1.8 0, 0.0 -1,-0.1 0.802 80.3 62.9 -53.6 -35.6 43.5 -13.6 23.3 86 86 A H H 34 S+ 0 0 99 1,-0.2 -21,-0.0 -20,-0.2 0, 0.0 0.674 119.4 25.9 -67.7 -15.8 42.7 -11.5 20.1 87 87 A L H <4 S+ 0 0 4 -3,-2.4 -1,-0.2 22,-0.1 22,-0.1 0.771 134.8 25.6-108.8 -36.0 39.1 -11.1 21.3 88 88 A Y H < S+ 0 0 0 -4,-2.4 2,-1.7 1,-0.1 -2,-0.2 0.516 88.6 92.5-116.3 -13.6 39.2 -11.4 25.1 89 89 A D < + 0 0 106 -4,-1.8 -1,-0.1 -5,-0.4 -45,-0.1 -0.539 60.5 120.5 -86.4 74.9 42.6 -10.5 26.4 90 90 A R - 0 0 50 -2,-1.7 -3,-0.0 2,-0.1 -4,-0.0 -0.977 62.7-108.2-134.3 145.3 41.8 -6.8 27.1 91 91 A P S S+ 0 0 105 0, 0.0 2,-0.2 0, 0.0 7,-0.0 -0.238 75.6 4.4 -68.7 160.1 41.9 -4.8 30.3 92 92 A G S S+ 0 0 65 2,-0.0 5,-0.1 3,-0.0 -2,-0.1 -0.449 108.2 24.6 84.6-133.9 38.9 -3.5 32.3 93 93 A S - 0 0 26 3,-0.4 -3,-0.0 -2,-0.2 -77,-0.0 -0.427 60.2-138.1 -71.7 143.8 35.3 -4.2 31.4 94 94 A P S S+ 0 0 3 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 0.631 103.2 42.0 -68.0 -12.9 34.3 -7.3 29.4 95 95 A Y S S+ 0 0 36 1,-0.2 8,-0.9 2,-0.1 2,-0.3 0.681 117.2 17.8-111.9 -24.4 31.9 -5.2 27.5 96 96 A H B S-J 102 0C 61 6,-0.2 -3,-0.4 1,-0.0 6,-0.3 -0.964 71.8-102.4-148.5 162.0 33.5 -1.8 26.6 97 97 A D > - 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0 0 79 -2,-0.6 4,-1.7 1,-0.1 -2,-0.0 -0.801 15.1-175.5-138.1 96.6 33.8 -1.4 45.9 357 357 A E H > S+ 0 0 48 -2,-0.4 4,-1.0 1,-0.2 3,-0.2 0.919 86.6 41.9 -60.8 -50.3 33.0 -5.1 46.8 358 358 A A H >> S+ 0 0 33 1,-0.2 4,-1.5 2,-0.2 3,-0.6 0.896 111.6 54.8 -66.2 -41.2 34.2 -5.1 50.4 359 359 A F H 3> S+ 0 0 24 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.841 99.0 62.6 -64.2 -28.4 32.7 -1.7 51.2 360 360 A S H 3X S+ 0 0 8 -4,-1.7 4,-2.6 -3,-0.2 -1,-0.2 0.874 102.6 51.2 -65.1 -32.9 29.3 -2.9 50.0 361 361 A H H X S+ 0 0 0 -4,-1.9 4,-3.2 2,-0.2 3,-1.2 0.950 114.2 47.1 -67.3 -51.8 27.3 -0.7 54.2 364 364 A M H 3< S+ 0 0 2 -4,-2.6 -2,-0.2 1,-0.3 -3,-0.2 0.881 114.6 47.4 -60.2 -40.0 24.9 -3.7 54.2 365 365 A G H 3< S+ 0 0 0 -4,-2.9 -1,-0.3 -5,-0.2 -88,-0.2 0.596 121.9 34.2 -76.8 -12.0 26.1 -4.7 57.7 366 366 A G H << S+ 0 0 0 -3,-1.2 -2,-0.2 -4,-0.5 -3,-0.2 0.699 95.4 91.3-114.6 -29.6 25.8 -1.1 59.2 367 367 A A < - 0 0 0 -4,-3.2 -72,-0.2 -5,-0.1 3,-0.1 -0.186 59.0-148.0 -67.2 160.8 22.8 0.6 57.5 368 368 A D S S+ 0 0 15 -74,-2.7 24,-1.5 1,-0.3 2,-0.3 0.745 82.4 21.3 -96.8 -32.4 19.2 0.5 58.8 369 369 A V E -np 295 392E 0 -75,-1.8 -73,-2.0 22,-0.3 2,-0.5 -0.988 64.3-147.8-136.5 142.5 17.4 0.6 55.5 370 370 A I E -np 296 393E 1 22,-2.0 24,-2.9 -2,-0.3 2,-0.6 -0.975 17.8-143.8-112.7 123.8 18.4 -0.2 51.9 371 371 A L E + p 0 394E 6 -75,-3.1 -73,-0.3 -2,-0.5 24,-0.2 -0.752 29.4 162.3 -86.9 118.9 16.8 1.9 49.2 372 372 A V E + p 0 395E 7 22,-2.9 2,-1.2 -2,-0.6 24,-1.1 -0.574 5.0 164.6-133.0 68.9 16.0 -0.0 46.0 373 373 A P + 0 0 1 0, 0.0 -64,-0.1 0, 0.0 22,-0.1 -0.171 22.3 176.8 -84.1 47.0 13.4 2.3 44.3 374 374 A S - 0 0 0 -2,-1.2 -69,-0.3 22,-0.1 3,-0.2 -0.102 39.5-149.8 -59.9 141.8 13.7 0.6 40.9 375 375 A R S S- 0 0 77 -71,-2.5 2,-0.3 -72,-0.3 -70,-0.2 0.867 94.6 -3.5 -67.5 -42.0 11.7 1.5 37.8 376 376 A F - 0 0 23 -72,-1.3 -1,-0.3 22,-0.1 3,-0.1 -0.975 67.7-175.9-147.1 154.5 12.0 -2.2 36.9 377 377 A E - 0 0 9 -2,-0.3 23,-2.1 -3,-0.2 24,-0.5 -0.723 16.3-161.2-159.6 96.0 13.9 -5.0 38.6 378 378 A P S S- 0 0 5 0, 0.0 -163,-0.4 0, 0.0 -162,-0.1 0.879 88.0 -36.0 -48.5 -45.3 14.2 -8.5 37.1 379 379 A C S S- 0 0 4 -218,-0.2 24,-0.1 20,-0.1 25,-0.1 0.360 70.8-145.3-141.1 -62.8 15.1 -9.8 40.6 380 380 A G - 0 0 8 20,-0.1 4,-0.1 3,-0.1 -134,-0.1 0.412 9.7-166.7 89.3 120.6 17.3 -7.5 42.7 381 381 A L S > S+ 0 0 14 2,-0.1 4,-2.5 3,-0.1 3,-0.2 0.625 80.2 69.7-109.3 -31.1 19.8 -9.1 44.9 382 382 A T H > S+ 0 0 34 1,-0.2 4,-2.3 2,-0.2 5,-0.1 0.881 99.6 49.8 -58.1 -36.5 20.6 -6.1 47.0 383 383 A Q H > S+ 0 0 0 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.853 109.2 51.9 -73.1 -31.5 17.2 -6.2 48.7 384 384 A L H > S+ 0 0 1 -3,-0.2 4,-2.1 2,-0.2 -2,-0.2 0.878 109.5 50.4 -63.7 -39.0 17.6 -9.9 49.4 385 385 A Y H X S+ 0 0 7 -4,-2.5 4,-2.1 2,-0.2 -2,-0.2 0.905 108.5 52.5 -66.8 -42.0 21.0 -9.0 51.0 386 386 A G H X>S+ 0 0 0 -4,-2.3 5,-3.5 2,-0.2 4,-0.6 0.938 107.9 50.5 -58.2 -49.0 19.3 -6.3 53.1 387 387 A L H ><5S+ 0 0 0 -4,-2.1 3,-1.5 1,-0.2 -2,-0.2 0.958 112.2 47.1 -52.2 -53.4 16.6 -8.8 54.4 388 388 A K H 3<5S+ 0 0 43 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.842 115.0 46.3 -58.3 -35.7 19.4 -11.3 55.4 389 389 A Y H 3<5S- 0 0 0 -4,-2.1 -1,-0.3 2,-0.2 -2,-0.2 0.381 114.9-114.7 -90.5 0.7 21.4 -8.5 57.1 390 390 A G T <<5S+ 0 0 0 -3,-1.5 2,-0.7 -4,-0.6 -3,-0.2 0.810 74.0 135.3 72.7 25.9 18.3 -7.1 58.9 391 391 A T < - 0 0 0 -5,-3.5 -22,-0.3 -6,-0.2 -1,-0.2 -0.904 59.7-125.8-109.9 102.7 18.6 -3.9 56.9 392 392 A L E -p 369 0E 0 -24,-1.5 -22,-2.0 -2,-0.7 2,-0.2 -0.228 19.8-131.4 -62.6 128.6 15.0 -3.3 55.9 393 393 A P E -p 370 0E 0 0, 0.0 28,-2.8 0, 0.0 2,-0.6 -0.528 11.2-158.7 -77.9 140.7 14.5 -2.8 52.2 394 394 A L E +pq 371 421E 0 -24,-2.9 -22,-2.9 -2,-0.2 2,-0.3 -0.973 32.6 165.8-116.9 108.9 12.5 0.1 50.9 395 395 A V E -pq 372 422E 0 26,-2.8 28,-2.2 -2,-0.6 2,-0.4 -0.844 42.2-115.4-129.3 157.6 11.4 -0.9 47.4 396 396 A R E - q 0 423E 30 -24,-1.1 2,-2.1 -2,-0.3 28,-0.2 -0.759 45.3-108.4 -85.1 139.5 9.0 -0.1 44.6 397 397 A R S S+ 0 0 145 26,-2.4 2,-0.3 -2,-0.4 25,-0.0 -0.483 78.1 112.8 -72.5 83.2 6.5 -2.9 44.0 398 398 A T S >> S- 0 0 2 -2,-2.1 3,-1.2 -21,-0.1 4,-1.0 -0.994 70.1 -23.3-149.9 150.3 7.9 -4.2 40.7 399 399 A G H >> S- 0 0 0 -2,-0.3 4,-0.8 1,-0.3 3,-0.7 -0.089 125.2 -11.1 52.7-141.0 9.6 -7.4 39.4 400 400 A G H 3> S+ 0 0 0 -23,-2.1 4,-0.9 1,-0.2 -1,-0.3 0.740 130.9 67.7 -67.0 -24.4 11.4 -9.5 42.0 401 401 A L H X> S+ 0 0 1 -3,-1.2 4,-1.9 -24,-0.5 3,-0.7 0.924 99.8 50.6 -60.4 -39.2 11.0 -6.8 44.6 402 402 A A H << S+ 0 0 35 -4,-1.0 -1,-0.2 -3,-0.7 -2,-0.2 0.800 111.1 50.1 -62.1 -30.3 7.3 -7.5 44.4 403 403 A D H 3< S+ 0 0 57 -4,-0.8 -1,-0.2 -5,-0.2 -2,-0.2 0.658 119.6 32.4 -83.8 -14.5 8.0 -11.2 45.0 404 404 A T H << S+ 0 0 8 -4,-0.9 2,-0.4 -3,-0.7 -2,-0.2 0.662 100.5 68.3-123.7 -19.3 10.3 -10.8 48.0 405 405 A V < - 0 0 10 -4,-1.9 2,-0.5 -5,-0.2 -1,-0.1 -0.900 56.6-155.3-112.3 137.7 9.4 -7.8 50.2 406 406 A S - 0 0 43 -2,-0.4 13,-2.9 11,-0.2 14,-1.7 -0.945 23.9-123.3-114.3 123.4 6.3 -7.5 52.4 407 407 A D B -r 420 0F 36 -2,-0.5 2,-1.6 11,-0.2 14,-0.2 -0.111 21.2-113.4 -65.5 154.8 5.2 -4.0 53.3 408 408 A C + 0 0 11 12,-0.7 -1,-0.1 10,-0.2 2,-0.1 -0.418 64.9 146.2 -82.7 60.1 4.8 -3.0 56.9 409 409 A S > - 0 0 24 -2,-1.6 4,-2.5 1,-0.1 5,-0.2 -0.457 65.2 -99.4 -88.6 171.3 1.1 -2.7 56.6 410 410 A L H > S+ 0 0 151 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.901 122.1 45.9 -55.2 -50.4 -1.4 -3.5 59.4 411 411 A E H > S+ 0 0 111 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.874 114.2 48.0 -63.0 -41.4 -2.3 -6.9 58.1 412 412 A N H 4>S+ 0 0 33 2,-0.2 5,-2.7 1,-0.2 6,-1.7 0.851 112.1 49.1 -71.2 -34.3 1.3 -7.9 57.4 413 413 A L H ><5S+ 0 0 32 -4,-2.5 3,-1.4 4,-0.2 -2,-0.2 0.954 114.8 45.0 -64.3 -48.8 2.4 -6.7 60.9 414 414 A A H 3<5S+ 0 0 88 -4,-2.4 -2,-0.2 1,-0.3 -1,-0.2 0.875 113.1 49.5 -66.5 -38.4 -0.4 -8.7 62.5 415 415 A D T 3<5S- 0 0 126 -4,-2.5 -1,-0.3 -5,-0.2 -2,-0.2 0.481 111.7-123.3 -75.2 -1.9 0.2 -11.8 60.4 416 416 A G T < 5S+ 0 0 21 -3,-1.4 -3,-0.2 -4,-0.2 -2,-0.1 0.813 84.6 108.9 62.0 34.1 4.0 -11.5 61.3 417 417 A V < + 0 0 59 -5,-2.7 -4,-0.2 -6,-0.2 -11,-0.2 0.511 37.0 117.5-117.0 -15.0 4.9 -11.3 57.7 418 418 A A + 0 0 1 -6,-1.7 -11,-0.2 1,-0.1 37,-0.2 -0.370 23.8 156.9 -58.7 135.6 6.0 -7.7 57.3 419 419 A S - 0 0 1 -13,-2.9 2,-0.3 1,-0.2 -12,-0.2 0.340 57.9 -15.7-142.0 -0.1 9.7 -7.3 56.3 420 420 A G B S-r 407 0F 0 -14,-1.7 -12,-0.7 -28,-0.2 2,-0.4 -0.928 74.6 -70.4-178.3-163.6 10.2 -3.9 54.7 421 421 A F E -q 394 0E 0 -28,-2.8 -26,-2.8 -2,-0.3 2,-0.4 -0.971 37.1-168.2-123.8 134.7 8.6 -0.9 53.0 422 422 A V E -q 395 0E 16 -2,-0.4 2,-0.3 -28,-0.2 -26,-0.2 -0.969 6.1-176.2-127.3 134.8 6.9 -0.8 49.6 423 423 A F E -q 396 0E 5 -28,-2.2 -26,-2.4 -2,-0.4 8,-0.1 -0.907 15.4-147.7-123.2 159.4 5.7 2.1 47.4 424 424 A E + 0 0 78 -2,-0.3 2,-0.3 -28,-0.2 -1,-0.1 0.861 65.3 56.1 -93.9 -43.9 3.8 1.8 44.1 425 425 A D S S- 0 0 92 2,-0.1 2,-2.2 1,-0.0 6,-0.2 -0.734 75.7-117.7-109.7 147.6 4.6 4.7 41.7 426 426 A S S S+ 0 0 48 -2,-0.3 2,-0.3 4,-0.1 -51,-0.1 -0.440 77.7 99.3 -77.4 68.6 7.9 5.9 40.2 427 427 A N S > S- 0 0 65 -2,-2.2 4,-2.3 1,-0.1 5,-0.2 -0.983 80.1-113.8-149.0 161.3 7.8 9.4 41.6 428 428 A A H > S+ 0 0 12 -2,-0.3 4,-2.2 1,-0.2 5,-0.1 0.770 112.3 55.9 -66.0 -32.1 9.4 11.1 44.6 429 429 A W H > S+ 0 0 179 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.928 109.8 46.1 -63.9 -46.5 6.1 11.7 46.5 430 430 A S H > S+ 0 0 10 1,-0.2 4,-1.4 2,-0.2 3,-0.3 0.947 113.8 48.9 -65.4 -42.9 5.3 8.0 46.4 431 431 A L H X S+ 0 0 0 -4,-2.3 4,-1.9 1,-0.2 -1,-0.2 0.900 109.1 55.4 -55.9 -41.7 8.9 7.2 47.5 432 432 A L H X S+ 0 0 47 -4,-2.2 4,-2.3 1,-0.2 -1,-0.2 0.813 99.8 57.5 -69.1 -31.2 8.6 9.8 50.3 433 433 A R H X S+ 0 0 132 -4,-1.9 4,-2.3 -3,-0.3 -1,-0.2 0.919 108.5 47.2 -62.6 -40.4 5.5 8.2 51.7 434 434 A A H X S+ 0 0 0 -4,-1.4 4,-2.1 2,-0.2 -2,-0.2 0.892 109.8 53.6 -67.8 -37.6 7.5 4.9 52.2 435 435 A I H X S+ 0 0 2 -4,-1.9 4,-2.2 2,-0.2 -2,-0.2 0.919 109.2 48.4 -59.8 -44.4 10.3 6.9 53.7 436 436 A R H X S+ 0 0 115 -4,-2.3 4,-2.3 2,-0.2 -2,-0.2 0.906 106.6 56.9 -63.2 -44.3 7.8 8.4 56.2 437 437 A R H X S+ 0 0 75 -4,-2.3 4,-2.4 1,-0.2 -2,-0.2 0.943 107.1 50.4 -47.6 -47.3 6.6 4.9 56.9 438 438 A A H X S+ 0 0 2 -4,-2.1 4,-2.6 1,-0.2 -2,-0.2 0.926 108.7 49.5 -59.3 -47.3 10.2 4.0 57.8 439 439 A F H X S+ 0 0 16 -4,-2.2 4,-1.3 1,-0.2 -1,-0.2 0.850 111.3 50.9 -62.1 -34.8 10.5 7.0 60.2 440 440 A V H < S+ 0 0 56 -4,-2.3 -1,-0.2 2,-0.2 -2,-0.2 0.914 111.7 45.4 -69.1 -43.0 7.2 6.0 61.9 441 441 A L H >< S+ 0 0 9 -4,-2.4 3,-1.8 1,-0.2 7,-0.5 0.894 109.1 58.6 -64.1 -37.4 8.4 2.4 62.4 442 442 A W H 3< S+ 0 0 55 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.850 97.0 59.7 -60.5 -35.5 11.7 3.7 63.6 443 443 A S T 3< S+ 0 0 80 -4,-1.3 -1,-0.3 1,-0.2 -2,-0.2 0.459 101.6 59.1 -73.2 -2.1 10.0 5.7 66.4 444 444 A R S X> S- 0 0 132 -3,-1.8 4,-2.3 1,-0.1 3,-1.4 -0.703 71.7-177.9-124.8 80.2 8.7 2.3 67.6 445 445 A P H 3> S+ 0 0 95 0, 0.0 4,-2.2 0, 0.0 5,-0.1 0.783 79.1 52.0 -55.6 -34.8 12.0 0.4 68.3 446 446 A S H 3> S+ 0 0 103 2,-0.2 4,-1.4 1,-0.2 -4,-0.1 0.775 111.0 48.1 -76.4 -25.0 10.3 -2.9 69.3 447 447 A L H <> S+ 0 0 40 -3,-1.4 4,-2.4 -6,-0.2 -1,-0.2 0.866 110.6 52.1 -74.2 -42.7 8.2 -2.9 66.2 448 448 A W H X S+ 0 0 10 -4,-2.3 4,-2.8 -7,-0.5 -2,-0.2 0.922 110.6 47.6 -55.1 -46.8 11.3 -2.2 64.1 449 449 A R H X S+ 0 0 98 -4,-2.2 4,-2.5 2,-0.2 5,-0.2 0.914 109.1 54.0 -64.8 -39.8 13.1 -5.1 65.8 450 450 A F H X S+ 0 0 91 -4,-1.4 4,-1.4 1,-0.2 -1,-0.2 0.914 111.6 45.7 -57.7 -44.3 10.0 -7.4 65.1 451 451 A V H X S+ 0 0 0 -4,-2.4 4,-2.9 2,-0.2 -2,-0.2 0.906 109.6 55.4 -66.2 -41.8 10.3 -6.4 61.5 452 452 A Q H X S+ 0 0 8 -4,-2.8 4,-2.3 1,-0.2 -2,-0.2 0.912 107.3 49.0 -55.3 -48.1 14.1 -7.0 61.4 453 453 A R H X S+ 0 0 77 -4,-2.5 4,-0.9 2,-0.2 -1,-0.2 0.830 111.3 49.2 -67.0 -31.9 13.7 -10.5 62.7 454 454 A Q H >X S+ 0 0 43 -4,-1.4 4,-0.8 -5,-0.2 3,-0.7 0.932 108.8 52.6 -71.2 -46.7 11.1 -11.4 60.1 455 455 A A H >< S+ 0 0 0 -4,-2.9 3,-1.2 1,-0.2 -2,-0.2 0.941 111.6 48.1 -46.0 -47.7 13.3 -9.9 57.3 456 456 A M H 3< S+ 0 0 10 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.672 103.1 61.2 -75.9 -16.5 16.1 -12.2 58.6 457 457 A A H << S+ 0 0 49 -4,-0.9 -1,-0.3 -3,-0.7 -2,-0.2 0.602 81.2 103.8 -78.5 -12.4 13.8 -15.3 58.7 458 458 A M << - 0 0 57 -3,-1.2 2,-0.4 -4,-0.8 -54,-0.0 -0.505 60.8-154.4 -72.9 141.6 13.2 -15.0 54.9 459 459 A D - 0 0 132 -2,-0.2 2,-0.5 2,-0.0 -2,-0.1 -0.970 20.5-178.6-125.9 131.0 15.1 -17.6 53.0 460 460 A F - 0 0 31 -2,-0.4 -212,-2.7 -212,-0.1 2,-0.4 -0.906 21.2-174.1-130.5 99.2 16.3 -17.5 49.4 461 461 A S > - 0 0 39 -2,-0.5 4,-1.9 -214,-0.3 5,-0.1 -0.829 28.5-155.1-109.5 129.4 18.0 -20.7 48.7 462 462 A W H > S+ 0 0 14 -2,-0.4 4,-2.4 -214,-0.4 5,-0.2 0.846 99.4 56.5 -68.3 -36.5 19.9 -21.7 45.5 463 463 A Q H > S+ 0 0 109 2,-0.2 4,-1.0 1,-0.2 -1,-0.2 0.837 107.5 49.4 -65.1 -29.6 19.3 -25.4 46.2 464 464 A V H >> S+ 0 0 88 2,-0.2 4,-1.1 1,-0.2 3,-0.5 0.944 112.0 48.0 -70.8 -45.2 15.6 -24.7 46.2 465 465 A A H 3X S+ 0 0 7 -4,-1.9 4,-2.3 1,-0.2 3,-0.2 0.871 107.0 57.7 -56.7 -38.5 15.9 -22.7 42.9 466 466 A A H 3X S+ 0 0 0 -4,-2.4 4,-2.9 1,-0.2 -1,-0.2 0.842 96.9 61.2 -67.0 -29.8 17.9 -25.6 41.4 467 467 A K H