==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=8-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 23-APR-08 3CX4 . COMPND 2 MOLECULE: GLYCOGEN SYNTHASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR F.SHENG,J.H.GEIGER . 476 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 18599.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 356 74.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 62 13.0 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 . 39 8.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 62 13.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 145 30.5 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 4 2 2 1 1 1 0 3 1 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 3 1 2 3 5 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 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 53 0, 0.0 35,-2.5 0, 0.0 2,-0.5 0.000 360.0 360.0 360.0 114.7 34.9 -41.8 -42.4 2 2 A Q E -a 36 0A 62 33,-0.2 129,-2.8 127,-0.1 130,-1.9 -0.923 360.0-173.1-109.8 124.3 32.8 -38.9 -43.7 3 3 A V E -ab 37 132A 0 33,-2.5 35,-3.0 -2,-0.5 2,-0.6 -0.959 11.7-161.0-121.3 132.8 29.0 -39.3 -44.0 4 4 A L E -ab 38 133A 0 128,-2.3 130,-3.2 -2,-0.4 2,-0.4 -0.954 11.1-151.1-109.8 118.8 26.4 -37.0 -45.4 5 5 A H E -ab 39 134A 0 33,-2.9 35,-3.5 -2,-0.6 2,-0.5 -0.755 8.4-158.9 -85.1 131.3 22.8 -37.6 -44.4 6 6 A V E +ab 40 135A 0 128,-2.5 130,-2.0 -2,-0.4 2,-0.3 -0.962 35.4 124.5-115.5 121.3 20.3 -36.5 -47.1 7 7 A C - 0 0 0 33,-2.1 130,-0.1 -2,-0.5 3,-0.1 -0.945 58.4-119.1-164.8 176.4 16.8 -35.8 -45.8 8 8 A S S S+ 0 0 0 -2,-0.3 2,-0.3 128,-0.2 33,-0.1 0.404 83.0 37.8-119.8 4.8 14.0 -33.3 -45.5 9 9 A E - 0 0 3 10,-0.1 2,-0.3 6,-0.0 6,-0.2 -0.991 49.5-179.1-149.0 163.8 13.4 -32.7 -41.8 10 10 A M B >> -I 14 0B 7 4,-1.9 4,-2.8 -2,-0.3 3,-0.6 -0.848 32.9 -93.4-164.5 122.8 15.3 -32.2 -38.6 11 11 A F T 34 S+ 0 0 36 9,-2.4 4,-0.0 1,-0.3 -2,-0.0 -0.529 102.3 15.5 -70.9 141.0 14.3 -31.6 -35.0 12 12 A P T 34 S+ 0 0 56 0, 0.0 -1,-0.3 0, 0.0 3,-0.2 -0.980 127.5 50.4 -91.9 4.7 14.1 -28.9 -33.6 13 13 A L T <4 S- 0 0 21 -3,-0.6 2,-0.3 1,-0.3 -2,-0.2 0.938 126.4 -1.6 -69.7 -49.7 14.1 -26.9 -36.8 14 14 A L B < S+I 10 0B 16 -4,-2.8 -4,-1.9 6,-0.1 2,-0.3 -0.971 71.7 167.2-147.7 128.8 11.4 -28.7 -38.8 15 15 A K + 0 0 32 -2,-0.3 3,-0.1 -3,-0.2 -6,-0.0 -0.977 23.2 160.8-147.2 127.5 9.4 -31.8 -37.7 16 16 A T S S- 0 0 45 -2,-0.3 2,-0.3 1,-0.2 -1,-0.1 0.468 77.9 -37.8-115.6 -11.0 6.3 -33.6 -38.9 17 17 A G S >> S- 0 0 15 282,-0.0 4,-0.8 283,-0.0 3,-0.8 -0.903 95.4 -30.9 180.0-152.6 7.1 -36.9 -37.2 18 18 A G H 3> S+ 0 0 35 -2,-0.3 4,-1.8 1,-0.2 3,-0.2 0.753 115.2 69.3 -64.5 -31.5 9.7 -39.4 -36.1 19 19 A L H 3> S+ 0 0 18 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.883 97.4 52.6 -52.3 -46.5 12.1 -38.8 -39.0 20 20 A A H <> S+ 0 0 0 -3,-0.8 -9,-2.4 1,-0.2 4,-2.0 0.863 105.5 55.1 -61.2 -39.4 13.0 -35.4 -37.7 21 21 A D H < S+ 0 0 14 -4,-0.8 4,-0.5 -3,-0.2 -1,-0.2 0.884 109.7 47.7 -59.0 -41.8 13.8 -36.8 -34.3 22 22 A V H >X S+ 0 0 2 -4,-1.8 4,-3.0 1,-0.2 3,-1.7 0.966 112.7 45.9 -62.7 -53.2 16.3 -39.2 -35.9 23 23 A I H 3< S+ 0 0 2 -4,-2.6 -2,-0.2 1,-0.3 -1,-0.2 0.820 110.3 56.7 -65.3 -29.7 18.0 -36.6 -38.0 24 24 A G T 3< S+ 0 0 16 -4,-2.0 -1,-0.3 -5,-0.2 -2,-0.2 0.611 122.2 21.9 -73.8 -12.1 18.2 -34.3 -35.0 25 25 A A T <> S+ 0 0 7 -3,-1.7 4,-1.3 -4,-0.5 -2,-0.2 0.673 106.4 69.0-130.6 -30.8 20.1 -36.9 -32.9 26 26 A L H X S+ 0 0 1 -4,-3.0 4,-2.7 2,-0.2 3,-0.2 0.931 94.6 55.8 -63.8 -50.5 21.9 -39.5 -34.9 27 27 A P H > S+ 0 0 1 0, 0.0 4,-2.4 0, 0.0 10,-0.3 0.928 107.6 49.3 -54.4 -45.8 24.6 -37.3 -36.5 28 28 A A H > S+ 0 0 42 1,-0.2 4,-2.1 2,-0.2 -2,-0.2 0.874 111.5 50.5 -57.1 -39.0 25.8 -36.1 -33.0 29 29 A A H X S+ 0 0 6 -4,-1.3 4,-2.1 -3,-0.2 -1,-0.2 0.925 108.8 51.3 -66.4 -41.7 26.0 -39.7 -31.9 30 30 A Q H <>S+ 0 0 1 -4,-2.7 5,-2.9 1,-0.2 -2,-0.2 0.905 108.2 52.1 -62.1 -39.6 28.0 -40.7 -34.9 31 31 A I H ><5S+ 0 0 74 -4,-2.4 3,-1.3 -5,-0.2 -1,-0.2 0.917 109.1 49.3 -63.2 -42.3 30.4 -37.9 -34.3 32 32 A A H 3<5S+ 0 0 63 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.886 111.1 51.4 -61.6 -35.9 30.9 -39.1 -30.7 33 33 A D T 3<5S- 0 0 38 -4,-2.1 -1,-0.3 -5,-0.1 -2,-0.2 0.302 129.8 -93.8 -90.3 8.0 31.4 -42.6 -32.1 34 34 A G T < 5S+ 0 0 54 -3,-1.3 2,-0.4 1,-0.3 -3,-0.2 0.678 85.0 119.3 95.7 20.0 34.1 -41.4 -34.5 35 35 A V < - 0 0 2 -5,-2.9 2,-1.2 -8,-0.1 -1,-0.3 -0.956 61.5-130.7-111.6 135.8 32.3 -40.7 -37.8 36 36 A D E -a 2 0A 60 -35,-2.5 -33,-2.5 -2,-0.4 2,-0.4 -0.723 38.5-176.1 -84.7 96.9 32.4 -37.2 -39.3 37 37 A A E +a 3 0A 1 -2,-1.2 41,-0.6 -10,-0.3 2,-0.3 -0.813 12.1 175.6-104.8 130.7 28.6 -36.8 -40.0 38 38 A R E -ac 4 78A 47 -35,-3.0 -33,-2.9 -2,-0.4 2,-0.4 -0.865 20.4-132.9-124.4 164.9 27.0 -33.8 -41.8 39 39 A V E -ac 5 79A 0 39,-2.3 41,-3.5 -2,-0.3 2,-0.5 -0.952 6.3-156.1-122.2 134.5 23.3 -33.2 -42.8 40 40 A L E +ac 6 80A 0 -35,-3.5 -33,-2.1 -2,-0.4 41,-0.2 -0.968 24.1 165.1-111.0 124.2 21.9 -32.0 -46.1 41 41 A L E - c 0 81A 0 39,-2.4 41,-2.4 -2,-0.5 -33,-0.2 -0.961 41.9-104.9-130.8 147.9 18.4 -30.3 -46.0 42 42 A P E - c 0 82A 0 0, 0.0 2,-2.0 0, 0.0 41,-0.2 -0.464 45.5-108.9 -60.8 145.2 16.3 -28.2 -48.3 43 43 A A + 0 0 5 39,-2.6 41,-0.1 4,-0.1 45,-0.1 -0.370 50.1 173.0 -78.9 60.1 16.3 -24.6 -47.0 44 44 A F >> - 0 0 4 -2,-2.0 4,-2.9 1,-0.1 3,-0.8 -0.370 47.3-105.0 -57.3 149.1 12.7 -24.5 -45.8 45 45 A P H 3> S+ 0 0 24 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.857 119.5 50.5 -53.7 -42.7 12.1 -21.2 -43.9 46 46 A D H 3> S+ 0 0 72 2,-0.2 4,-0.9 1,-0.2 -32,-0.1 0.844 114.5 45.4 -65.8 -31.6 12.1 -22.8 -40.4 47 47 A I H X> S+ 0 0 0 -3,-0.8 4,-1.3 2,-0.2 3,-0.7 0.945 111.8 49.9 -75.2 -48.0 15.4 -24.5 -41.2 48 48 A R H 3< S+ 0 0 89 -4,-2.9 3,-0.4 1,-0.3 -2,-0.2 0.905 110.5 53.0 -57.4 -42.0 17.0 -21.4 -42.8 49 49 A R H 3< S+ 0 0 167 -4,-2.5 -1,-0.3 -5,-0.3 -2,-0.2 0.779 106.9 51.5 -59.9 -33.8 15.9 -19.4 -39.7 50 50 A G H << S+ 0 0 20 -4,-0.9 2,-1.1 -3,-0.7 -1,-0.2 0.727 94.4 73.4 -83.4 -22.5 17.5 -21.8 -37.2 51 51 A V >< + 0 0 0 -4,-1.3 3,-0.9 -3,-0.4 -1,-0.2 -0.725 57.6 171.3 -94.4 92.4 21.0 -21.9 -38.8 52 52 A T T 3 + 0 0 132 -2,-1.1 -1,-0.2 21,-0.3 22,-0.1 0.606 69.9 52.4 -86.3 -7.6 22.4 -18.5 -37.9 53 53 A D T 3 S+ 0 0 69 20,-0.4 -1,-0.2 2,-0.1 2,-0.1 0.093 74.5 150.5-108.8 20.9 26.0 -19.0 -39.0 54 54 A A < - 0 0 21 -3,-0.9 2,-0.3 -6,-0.2 18,-0.3 -0.333 23.1-171.1 -60.3 127.4 25.2 -20.2 -42.6 55 55 A Q E -D 71 0A 142 16,-2.7 16,-2.4 -2,-0.1 2,-0.4 -0.836 29.2 -98.2-114.8 158.0 27.9 -19.3 -45.2 56 56 A V E +D 70 0A 102 -2,-0.3 14,-0.2 14,-0.2 3,-0.1 -0.591 38.3 168.6 -74.3 127.0 27.9 -19.6 -49.0 57 57 A V E - 0 0 38 12,-3.2 2,-0.3 -2,-0.4 13,-0.2 0.727 61.4 -26.5-100.8 -34.4 29.6 -22.7 -50.4 58 58 A S E -D 69 0A 16 11,-1.2 11,-2.7 67,-0.1 2,-0.4 -0.971 42.3-133.3-177.9 150.1 28.5 -22.6 -54.0 59 59 A R E +D 68 0A 142 -2,-0.3 2,-0.3 9,-0.2 9,-0.2 -0.980 32.6 173.4-115.7 134.4 26.0 -21.5 -56.7 60 60 A R E -D 67 0A 96 7,-2.1 7,-2.7 -2,-0.4 2,-0.3 -0.991 29.7-132.1-140.4 151.0 24.9 -24.0 -59.3 61 61 A D + 0 0 105 -2,-0.3 2,-0.3 5,-0.2 5,-0.2 -0.732 35.7 175.7 -91.4 158.2 22.4 -24.3 -62.1 62 62 A T > - 0 0 13 -2,-0.3 3,-3.0 1,-0.0 50,-0.0 -0.954 50.3 -92.4-160.3 155.7 20.4 -27.5 -62.1 63 63 A F T 3 S+ 0 0 39 1,-0.3 3,-0.1 -2,-0.3 115,-0.1 0.737 130.9 46.6 -49.0 -25.2 17.5 -29.2 -63.9 64 64 A A T 3 S- 0 0 11 1,-0.4 -1,-0.3 44,-0.1 2,-0.2 0.201 124.8 -99.9-101.9 11.4 15.3 -27.6 -61.3 65 65 A G < - 0 0 23 -3,-3.0 -1,-0.4 2,-0.0 2,-0.1 -0.482 66.1 -16.7 95.5-171.2 16.9 -24.1 -61.6 66 66 A H - 0 0 97 -5,-0.2 2,-0.3 -2,-0.2 -5,-0.2 -0.337 53.4-170.8 -77.5 147.6 19.6 -22.4 -59.5 67 67 A I E -D 60 0A 0 -7,-2.7 -7,-2.1 17,-0.1 2,-0.5 -0.974 18.1-151.1-129.2 148.2 20.7 -23.2 -56.0 68 68 A T E -DE 59 83A 22 15,-2.6 15,-2.6 -2,-0.3 2,-0.6 -0.987 21.0-146.7-107.8 115.6 22.9 -21.6 -53.4 69 69 A L E -DE 58 82A 0 -11,-2.7 -12,-3.2 -2,-0.5 -11,-1.2 -0.737 21.4-171.6 -76.1 118.1 24.5 -24.3 -51.3 70 70 A L E -DE 56 81A 11 11,-2.8 11,-2.5 -2,-0.6 2,-0.4 -0.789 8.2-160.8-106.8 158.2 24.9 -22.9 -47.7 71 71 A F E +DE 55 80A 31 -16,-2.4 -16,-2.7 -2,-0.3 9,-0.2 -0.987 25.8 129.7-141.0 131.9 26.7 -24.5 -44.8 72 72 A G E - E 0 79A 1 7,-2.7 7,-3.2 -2,-0.4 2,-0.4 -0.731 44.9 -91.3-151.1-159.1 26.4 -23.8 -41.1 73 73 A H E - E 0 78A 86 5,-0.3 2,-0.4 -2,-0.2 -20,-0.4 -0.959 20.0-173.4-131.0 144.9 26.0 -25.6 -37.8 74 74 A Y E > S- E 0 77A 61 3,-2.5 3,-2.2 -2,-0.4 -23,-0.1 -0.949 79.7 -18.5-135.0 123.9 23.2 -26.6 -35.6 75 75 A N T 3 S- 0 0 103 -2,-0.4 3,-0.1 1,-0.3 -1,-0.0 0.894 129.1 -50.0 55.8 40.8 23.8 -28.0 -32.1 76 76 A G T 3 S+ 0 0 69 1,-0.2 2,-0.3 -48,-0.0 -1,-0.3 0.151 115.7 113.1 86.0 -22.8 27.4 -28.8 -33.0 77 77 A V E < S- E 0 74A 13 -3,-2.2 -3,-2.5 1,-0.1 2,-0.4 -0.640 71.2-114.7 -95.8 142.4 26.5 -30.6 -36.2 78 78 A G E -cE 38 73A 7 -41,-0.6 -39,-2.3 -2,-0.3 2,-0.5 -0.592 34.4-166.4 -73.5 122.5 27.4 -29.4 -39.7 79 79 A I E -cE 39 72A 0 -7,-3.2 -7,-2.7 -2,-0.4 2,-0.4 -0.945 10.2-160.2-117.5 120.3 24.3 -28.5 -41.8 80 80 A Y E -cE 40 71A 0 -41,-3.5 -39,-2.4 -2,-0.5 2,-0.4 -0.797 12.6-159.4 -91.1 138.5 24.2 -27.9 -45.5 81 81 A L E -cE 41 70A 1 -11,-2.5 -11,-2.8 -2,-0.4 2,-1.1 -0.972 14.4-143.6-121.2 131.5 21.2 -26.1 -46.8 82 82 A I E -cE 42 69A 0 -41,-2.4 -39,-2.6 -2,-0.4 2,-0.8 -0.793 20.6-162.4 -89.1 97.9 19.8 -26.1 -50.4 83 83 A D E + E 0 68A 43 -15,-2.6 -15,-2.6 -2,-1.1 -39,-0.1 -0.769 34.0 140.4 -87.7 109.5 18.6 -22.5 -50.8 84 84 A A >> - 0 0 0 -2,-0.8 3,-2.6 -17,-0.2 4,-2.5 -0.711 27.2-172.4-146.8 78.0 16.3 -22.4 -53.8 85 85 A P H 3> S+ 0 0 70 0, 0.0 4,-1.6 0, 0.0 -1,-0.1 0.808 81.5 63.8 -50.5 -37.0 13.5 -20.0 -52.8 86 86 A H H 34 S+ 0 0 103 1,-0.2 -21,-0.0 2,-0.2 0, 0.0 0.682 119.1 24.9 -64.6 -18.3 11.4 -20.9 -55.9 87 87 A L H <4 S+ 0 0 6 -3,-2.6 -1,-0.2 22,-0.1 22,-0.1 0.743 135.4 24.6-107.5 -39.0 11.1 -24.5 -54.7 88 88 A Y H < S+ 0 0 0 -4,-2.5 2,-2.4 1,-0.1 -2,-0.2 0.559 85.7 98.7-114.5 -15.3 11.5 -24.4 -50.9 89 89 A D < + 0 0 103 -4,-1.6 -1,-0.1 -5,-0.4 -45,-0.1 -0.452 59.2 111.3 -82.4 71.0 10.5 -21.0 -49.6 90 90 A R - 0 0 54 -2,-2.4 2,-0.0 2,-0.1 -4,-0.0 -0.997 64.7-115.5-139.8 147.6 7.0 -21.9 -48.5 91 91 A P S S+ 0 0 108 0, 0.0 2,-0.3 0, 0.0 -2,-0.0 -0.299 73.0 17.1 -77.1 157.1 5.5 -22.1 -45.1 92 92 A G S S+ 0 0 58 5,-0.0 -46,-0.2 3,-0.0 5,-0.1 -0.624 104.9 17.2 95.2-145.9 4.1 -25.3 -43.5 93 93 A S - 0 0 23 3,-0.4 7,-0.0 -2,-0.3 -77,-0.0 -0.374 57.7-137.0 -70.3 141.2 4.8 -28.9 -44.5 94 94 A P S S+ 0 0 1 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 0.703 103.6 41.5 -64.0 -18.8 7.7 -29.8 -46.7 95 95 A Y S S+ 0 0 27 1,-0.2 8,-1.5 2,-0.1 2,-0.3 0.736 116.7 13.1-106.7 -30.2 5.4 -32.1 -48.6 96 96 A H B -J 102 0C 61 6,-0.3 -3,-0.4 1,-0.1 6,-0.3 -0.957 68.3-102.3-150.1 164.5 2.0 -30.5 -49.1 97 97 A D > - 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0 0 3 -2,-0.3 23,-2.5 -3,-0.1 24,-0.4 -0.728 13.6-167.4-152.8 89.1 5.4 -49.6 -37.4 378 378 A P S S- 0 0 7 0, 0.0 -163,-0.3 0, 0.0 -162,-0.1 0.915 87.9 -42.7 -45.4 -45.8 8.8 -49.2 -39.0 379 379 A C S S- 0 0 4 -218,-0.2 24,-0.1 20,-0.1 25,-0.1 0.276 71.7-144.2-142.9 -67.6 10.1 -48.3 -35.5 380 380 A G - 0 0 22 20,-0.1 -134,-0.1 3,-0.1 4,-0.1 0.310 11.4-165.5 95.4 129.2 7.9 -46.1 -33.4 381 381 A L S > S+ 0 0 13 2,-0.1 4,-2.6 3,-0.1 3,-0.3 0.667 79.5 68.9-112.7 -34.8 9.4 -43.5 -31.1 382 382 A T H > S+ 0 0 40 1,-0.3 4,-2.2 2,-0.2 5,-0.1 0.843 100.5 50.4 -59.5 -32.7 6.4 -42.6 -29.0 383 383 A Q H > S+ 0 0 0 2,-0.2 4,-2.5 1,-0.2 -1,-0.3 0.886 108.8 52.0 -71.3 -35.0 6.4 -46.0 -27.4 384 384 A L H > S+ 0 0 1 -3,-0.3 4,-2.2 2,-0.2 -2,-0.2 0.910 109.7 50.5 -62.8 -40.0 10.1 -45.6 -26.6 385 385 A Y H X S+ 0 0 7 -4,-2.6 4,-2.0 2,-0.2 -2,-0.2 0.890 108.1 52.5 -64.4 -41.2 9.2 -42.2 -25.0 386 386 A G H X>S+ 0 0 0 -4,-2.2 5,-3.3 -5,-0.2 4,-0.6 0.943 108.1 50.8 -59.7 -48.8 6.5 -44.0 -23.0 387 387 A L H ><5S+ 0 0 0 -4,-2.5 3,-1.5 1,-0.2 -2,-0.2 0.952 111.6 47.3 -51.4 -53.0 8.9 -46.5 -21.7 388 388 A K H 3<5S+ 0 0 36 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.845 115.2 46.2 -58.9 -33.8 11.4 -43.8 -20.6 389 389 A Y H 3<5S- 0 0 0 -4,-2.0 -1,-0.3 2,-0.2 -2,-0.2 0.412 113.9-114.3 -91.2 0.5 8.6 -41.8 -18.9 390 390 A G T <<5S+ 0 0 0 -3,-1.5 2,-0.7 -4,-0.6 -3,-0.2 0.829 73.6 137.6 66.6 30.5 7.2 -44.8 -17.1 391 391 A T < - 0 0 0 -5,-3.3 -22,-0.3 -6,-0.2 -21,-0.2 -0.909 58.8-126.9-108.1 98.3 4.0 -44.4 -19.2 392 392 A L E -q 369 0F 0 -24,-1.5 -22,-1.9 -2,-0.7 2,-0.3 -0.207 19.4-134.2 -59.9 123.1 3.3 -48.0 -20.1 393 393 A P E -q 370 0F 0 0, 0.0 28,-2.7 0, 0.0 2,-0.6 -0.618 11.3-159.2 -81.0 134.1 2.9 -48.6 -23.8 394 394 A L E +qr 371 421F 0 -24,-2.6 -22,-3.4 -2,-0.3 2,-0.3 -0.961 32.2 166.2-107.8 112.4 0.0 -50.6 -25.1 395 395 A V E -qr 372 422F 0 26,-3.0 28,-2.3 -2,-0.6 2,-0.3 -0.863 42.4-112.1-131.2 158.5 1.0 -51.8 -28.6 396 396 A R E - r 0 423F 26 -24,-1.4 2,-1.8 -2,-0.3 28,-0.2 -0.723 44.6-109.9 -80.4 140.0 0.3 -54.1 -31.4 397 397 A R S S+ 0 0 143 26,-2.6 2,-0.3 -2,-0.3 -1,-0.1 -0.504 77.1 113.1 -74.3 85.7 3.0 -56.7 -31.9 398 398 A T S >> S- 0 0 3 -2,-1.8 3,-1.3 -22,-0.0 4,-0.9 -0.993 71.0 -27.7-156.3 146.1 4.4 -55.4 -35.2 399 399 A G H >> S- 0 0 0 -2,-0.3 3,-1.0 1,-0.3 4,-1.0 -0.064 125.3 -8.4 45.4-134.6 7.7 -53.9 -36.5 400 400 A G H 3> S+ 0 0 0 -23,-2.5 4,-1.0 1,-0.3 -1,-0.3 0.730 130.4 66.7 -71.5 -21.8 9.6 -51.9 -34.0 401 401 A L H <> S+ 0 0 1 -3,-1.3 4,-1.7 -24,-0.4 3,-0.4 0.890 102.2 49.1 -57.8 -39.7 6.8 -52.2 -31.4 402 402 A A H << S+ 0 0 35 -3,-1.0 -2,-0.2 -4,-0.9 -1,-0.2 0.787 111.2 50.2 -71.1 -29.1 7.6 -55.9 -31.4 403 403 A D H < S+ 0 0 55 -4,-1.0 -1,-0.2 -5,-0.2 -2,-0.2 0.704 119.5 33.5 -78.2 -18.7 11.3 -55.3 -30.9 404 404 A T H < S+ 0 0 3 -4,-1.0 2,-0.4 -3,-0.4 -2,-0.2 0.683 101.9 65.6-122.3 -18.8 10.9 -52.9 -28.1 405 405 A V < - 0 0 12 -4,-1.7 2,-0.5 -5,-0.1 -1,-0.1 -0.901 56.2-155.0-112.7 136.6 8.0 -53.7 -25.8 406 406 A S - 0 0 38 -2,-0.4 13,-3.3 11,-0.2 14,-2.2 -0.948 21.3-128.2-112.0 122.3 7.5 -56.8 -23.5 407 407 A D B -t 420 0H 35 -2,-0.5 2,-2.0 11,-0.2 14,-0.2 -0.175 24.8-110.0 -60.1 150.5 4.0 -57.9 -22.6 408 408 A C + 0 0 13 12,-1.1 -1,-0.1 10,-0.1 2,-0.1 -0.406 63.6 151.5 -81.0 60.2 3.1 -58.4 -19.0 409 409 A S > - 0 0 24 -2,-2.0 4,-2.4 1,-0.1 5,-0.2 -0.434 62.7-102.7 -79.6 164.7 2.8 -62.2 -19.5 410 410 A L H > S+ 0 0 150 1,-0.2 4,-2.2 2,-0.2 5,-0.1 0.863 122.6 48.4 -56.3 -42.0 3.5 -64.5 -16.6 411 411 A E H > S+ 0 0 113 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.914 112.3 48.3 -63.7 -45.7 7.0 -65.4 -18.0 412 412 A N H 4>S+ 0 0 33 2,-0.2 5,-2.7 1,-0.2 6,-1.5 0.875 113.6 46.4 -67.0 -34.5 7.9 -61.8 -18.6 413 413 A L H ><5S+ 0 0 33 -4,-2.4 3,-1.1 4,-0.2 -1,-0.2 0.948 114.8 47.9 -69.8 -43.8 6.8 -60.7 -15.1 414 414 A A H 3<5S+ 0 0 83 -4,-2.2 -2,-0.2 1,-0.3 -1,-0.2 0.832 113.2 46.8 -66.0 -36.5 8.7 -63.7 -13.6 415 415 A D T 3<5S- 0 0 122 -4,-2.6 -1,-0.3 -5,-0.1 -2,-0.2 0.459 113.0-119.0 -83.4 -1.8 11.9 -63.0 -15.6 416 416 A G T < 5S+ 0 0 20 -3,-1.1 -3,-0.2 -4,-0.4 -2,-0.1 0.751 86.3 109.6 72.1 27.9 11.6 -59.2 -14.6 417 417 A V < + 0 0 58 -5,-2.7 -4,-0.2 -6,-0.2 -11,-0.2 0.515 34.6 119.3-116.3 -11.2 11.3 -58.3 -18.3 418 418 A A + 0 0 1 -6,-1.5 -11,-0.2 1,-0.1 37,-0.2 -0.353 22.8 158.2 -62.9 134.5 7.7 -57.1 -18.6 419 419 A S - 0 0 1 -13,-3.3 2,-0.3 1,-0.2 -12,-0.2 0.455 57.5 -23.3-138.9 -5.7 7.5 -53.4 -19.8 420 420 A G B S-t 407 0H 0 -14,-2.2 -12,-1.1 -28,-0.2 2,-0.4 -0.926 74.1 -63.0-178.3-157.3 4.0 -52.9 -21.3 421 421 A F E -r 394 0F 0 -28,-2.7 -26,-3.0 -2,-0.3 2,-0.4 -0.951 37.9-168.9-124.6 135.4 0.9 -54.5 -23.0 422 422 A V E -r 395 0F 13 -2,-0.4 2,-0.3 -28,-0.2 -26,-0.2 -0.973 6.2-176.1-128.5 136.2 0.8 -56.2 -26.3 423 423 A F E -r 396 0F 5 -28,-2.3 -26,-2.6 -2,-0.4 8,-0.1 -0.886 14.5-149.9-124.1 160.7 -2.0 -57.4 -28.5 424 424 A E + 0 0 79 -2,-0.3 2,-0.3 -28,-0.2 -1,-0.1 0.870 64.9 58.1 -98.7 -44.7 -1.8 -59.3 -31.8 425 425 A D S S- 0 0 91 2,-0.1 2,-2.6 1,-0.1 6,-0.3 -0.739 75.4-119.5-107.1 143.5 -4.6 -58.5 -34.2 426 426 A S S S+ 0 0 44 -2,-0.3 2,-0.3 4,-0.1 -1,-0.1 -0.357 78.5 97.8 -73.5 63.4 -5.8 -55.3 -35.8 427 427 A N S > S- 0 0 63 -2,-2.6 4,-2.3 1,-0.1 3,-0.2 -0.982 81.2-113.4-148.0 161.0 -9.3 -55.3 -34.4 428 428 A A H > S+ 0 0 13 -2,-0.3 4,-2.9 1,-0.2 5,-0.1 0.777 112.9 58.1 -65.6 -30.4 -11.0 -53.7 -31.4 429 429 A W H > S+ 0 0 178 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.921 108.7 46.2 -66.7 -43.7 -11.6 -57.0 -29.6 430 430 A S H > S+ 0 0 10 -3,-0.2 4,-1.6 2,-0.2 3,-0.4 0.964 113.6 49.2 -58.9 -55.2 -7.8 -57.7 -29.6 431 431 A L H X S+ 0 0 0 -4,-2.3 4,-2.3 -6,-0.3 -2,-0.2 0.927 108.5 54.7 -45.7 -50.6 -7.2 -54.1 -28.4 432 432 A L H X S+ 0 0 43 -4,-2.9 4,-2.3 1,-0.2 -1,-0.2 0.829 102.0 56.0 -63.1 -33.1 -9.8 -54.5 -25.7 433 433 A R H X S+ 0 0 125 -4,-1.7 4,-2.4 -3,-0.4 -1,-0.2 0.942 108.6 47.4 -62.1 -45.8 -8.1 -57.5 -24.2 434 434 A A H X S+ 0 0 0 -4,-1.6 4,-2.3 1,-0.2 -2,-0.2 0.916 110.9 53.3 -58.8 -41.8 -4.8 -55.6 -23.8 435 435 A I H X S+ 0 0 2 -4,-2.3 4,-2.2 1,-0.2 -2,-0.2 0.895 108.1 49.1 -60.7 -40.2 -6.8 -52.8 -22.3 436 436 A R H X S+ 0 0 113 -4,-2.3 4,-3.1 2,-0.2 -1,-0.2 0.908 107.3 55.5 -63.1 -44.2 -8.4 -55.3 -19.8 437 437 A R H X S+ 0 0 76 -4,-2.4 4,-2.9 1,-0.2 5,-0.2 0.935 106.9 50.9 -55.0 -43.9 -4.9 -56.5 -19.0 438 438 A A H X S+ 0 0 2 -4,-2.3 4,-2.7 1,-0.2 -2,-0.2 0.937 109.4 49.4 -61.0 -46.3 -4.0 -52.9 -18.2 439 439 A F H X S+ 0 0 20 -4,-2.2 4,-1.2 2,-0.2 -1,-0.2 0.885 110.8 50.9 -60.1 -39.8 -7.0 -52.6 -15.8 440 440 A V H < S+ 0 0 60 -4,-3.1 3,-0.5 1,-0.2 -2,-0.2 0.945 112.3 45.4 -62.5 -46.7 -6.0 -55.9 -14.2 441 441 A L H >< S+ 0 0 11 -4,-2.9 3,-1.8 1,-0.2 7,-0.5 0.883 107.1 60.2 -62.0 -35.6 -2.4 -54.6 -13.7 442 442 A W H 3< S+ 0 0 57 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.837 97.7 58.7 -64.9 -28.0 -3.7 -51.3 -12.4 443 443 A S T 3< S+ 0 0 85 -4,-1.2 -1,-0.3 -3,-0.5 -2,-0.2 0.458 100.8 59.0 -79.9 -1.6 -5.5 -53.1 -9.6 444 444 A R S X> S- 0 0 139 -3,-1.8 4,-2.2 -4,-0.2 3,-1.3 -0.684 71.4-177.4-122.9 76.7 -2.2 -54.4 -8.3 445 445 A P H 3> S+ 0 0 96 0, 0.0 4,-2.4 0, 0.0 5,-0.2 0.776 79.0 51.7 -49.7 -39.4 -0.3 -51.1 -7.7 446 446 A S H 3> S+ 0 0 102 2,-0.2 4,-2.0 1,-0.2 5,-0.1 0.849 111.4 48.3 -69.4 -32.1 3.1 -52.8 -6.7 447 447 A L H <> S+ 0 0 36 -3,-1.3 4,-2.1 2,-0.2 -1,-0.2 0.899 110.4 51.6 -70.2 -42.7 3.0 -54.9 -9.8 448 448 A W H X S+ 0 0 10 -4,-2.2 4,-2.3 -7,-0.5 -2,-0.2 0.927 111.1 47.8 -54.2 -47.3 2.3 -51.8 -11.9 449 449 A R H X S+ 0 0 101 -4,-2.4 4,-2.5 1,-0.2 -2,-0.2 0.897 108.6 54.6 -65.6 -38.5 5.2 -50.0 -10.2 450 450 A F H X S+ 0 0 94 -4,-2.0 4,-1.3 1,-0.2 -1,-0.2 0.869 110.3 46.6 -60.9 -38.9 7.5 -53.0 -10.9 451 451 A V H X S+ 0 0 0 -4,-2.1 4,-2.8 2,-0.2 -2,-0.2 0.887 110.1 53.2 -73.5 -36.9 6.6 -52.8 -14.6 452 452 A Q H X S+ 0 0 8 -4,-2.3 4,-2.8 1,-0.2 -2,-0.2 0.941 108.1 50.4 -59.0 -48.1 7.2 -49.0 -14.7 453 453 A R H X S+ 0 0 84 -4,-2.5 4,-0.6 1,-0.2 -1,-0.2 0.851 112.2 47.2 -62.6 -33.8 10.6 -49.4 -13.3 454 454 A Q H >X S+ 0 0 53 -4,-1.3 4,-0.8 2,-0.2 3,-0.6 0.913 110.3 51.7 -74.4 -42.9 11.4 -52.1 -15.8 455 455 A A H >< S+ 0 0 0 -4,-2.8 3,-1.0 1,-0.2 -2,-0.2 0.920 110.9 49.8 -51.6 -45.0 10.1 -49.9 -18.7 456 456 A M H 3< S+ 0 0 11 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.662 102.7 61.2 -76.6 -12.2 12.3 -47.1 -17.4 457 457 A A H << S+ 0 0 49 -4,-0.6 -1,-0.2 -3,-0.6 -2,-0.2 0.660 80.1 107.0 -81.9 -17.3 15.3 -49.4 -17.3 458 458 A M << - 0 0 65 -3,-1.0 2,-0.5 -4,-0.8 -54,-0.0 -0.400 60.4-151.0 -66.4 138.0 15.1 -50.0 -21.1 459 459 A D + 0 0 128 -2,-0.1 2,-0.5 2,-0.0 -2,-0.1 -0.948 21.6 178.9-120.0 128.7 17.8 -48.2 -23.0 460 460 A F - 0 0 29 -2,-0.5 -212,-2.7 -212,-0.1 2,-0.4 -0.845 18.8-175.7-129.9 93.2 17.7 -46.8 -26.5 461 461 A S > - 0 0 36 -2,-0.5 4,-1.6 -214,-0.2 -212,-0.1 -0.753 27.3-157.6 -99.4 129.6 21.0 -45.2 -27.3 462 462 A W H > S+ 0 0 13 -2,-0.4 4,-3.5 -214,-0.4 -1,-0.1 0.804 98.6 56.4 -66.8 -31.7 21.9 -43.4 -30.5 463 463 A Q H > S+ 0 0 110 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.867 106.6 50.0 -72.5 -33.6 25.6 -43.9 -29.8 464 464 A V H > S+ 0 0 87 2,-0.2 4,-1.0 1,-0.2 -1,-0.2 0.904 113.6 45.4 -63.9 -42.5 24.9 -47.7 -29.7 465 465 A A H >X S+ 0 0 6 -4,-1.6 4,-2.3 1,-0.2 3,-0.8 0.934 106.5 59.5 -66.5 -45.2 23.1 -47.3 -33.0 466 466 A A H 3X S+ 0 0 1 -4,-3.5 4,-2.6 1,-0.3 -1,-0.2 0.880 100.1 58.1 -46.6 -41.9 25.9 -45.2 -34.4 467 467 A K H 3X S+ 0 0 98 -4,-1.5 4,-1.9 1,-0.2 -1,-0.3 0.871 106.0 47.7 -62.3 -37.7 28.2 -48.1 -33.8 468 468 A S H < S+ 0 0 5 -4,-2.9 3,-1.4 1,-0.2 -1,-0.2 0.917 111.4 47.9 -58.9 -46.2 29.8 -48.0 -43.5 474 474 A Y H 3< S+ 0 0 146 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.773 105.1 59.8 -67.3 -25.2 33.3 -49.6 -43.1 475 475 A R T 3< 0 0 155 -4,-1.4 -1,-0.3 -3,-0.4 -2,-0.2 0.374 360.0 360.0 -90.3 9.3 32.1 -52.9 -44.6 476 476 A L < 0 0 60 -3,-1.4 -2,-0.2 -4,-0.3 -1,-0.2 0.706 360.0 360.0-100.5 360.0 31.1 -51.1 -47.9