==== 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 08-JAN-09 3FRO . COMPND 2 MOLECULE: GLGA GLYCOGEN SYNTHASE; . SOURCE 2 ORGANISM_SCIENTIFIC: PYROCOCCUS ABYSSI; . AUTHOR A.DIAZ,J.J.GUINOVART,I.FITA,J.C.FERRER . 1317 3 3 3 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 52990.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 976 74.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 172 13.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 70 5.3 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 6 0.5 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 . 104 7.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 151 11.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 426 32.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 17 1.3 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 3 3 6 0 7 1 1 5 5 8 5 1 0 0 0 0 0 0 0 3 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 3 6 15 3 6 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 . 5 3 0 0 0 0 6 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 . 3 0 0 0 3 0 0 0 2 1 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 R 0 0 188 0, 0.0 34,-0.1 0, 0.0 35,-0.0 0.000 360.0 360.0 360.0 -48.3 64.4 69.0 -38.5 2 0 A H + 0 0 133 32,-0.2 2,-0.1 1,-0.1 34,-0.1 0.940 360.0 173.5 59.5 52.0 64.8 69.4 -42.3 3 1 A M - 0 0 22 120,-0.0 34,-1.1 33,-0.0 2,-0.5 -0.338 35.4-115.9 -74.2 165.4 61.2 70.5 -42.8 4 2 A K E -a 37 0A 16 32,-0.2 120,-1.7 118,-0.1 121,-1.3 -0.954 33.6-158.8-106.3 122.2 59.8 71.7 -46.1 5 3 A V E -ab 38 125A 1 32,-2.7 34,-3.4 -2,-0.5 2,-0.7 -0.896 15.3-162.7-111.7 123.4 58.8 75.3 -45.9 6 4 A L E -ab 39 126A 0 119,-2.4 121,-2.9 -2,-0.5 2,-0.5 -0.924 19.9-166.1 -97.5 113.3 56.4 77.2 -48.2 7 5 A L E -ab 40 127A 0 32,-3.7 34,-2.3 -2,-0.7 2,-0.5 -0.880 6.3-159.1-107.4 129.9 57.1 80.9 -47.8 8 6 A L E +ab 41 128A 0 119,-2.6 121,-1.8 -2,-0.5 2,-0.3 -0.930 19.5 162.1-110.9 124.6 54.6 83.6 -49.0 9 7 A G - 0 0 0 32,-1.8 121,-0.1 -2,-0.5 3,-0.1 -0.997 38.0-145.6-144.5 138.6 55.8 87.1 -49.6 10 8 A F S S+ 0 0 0 119,-0.4 2,-0.3 -2,-0.3 32,-0.1 0.642 93.6 27.5 -80.5 -15.3 54.4 90.1 -51.6 11 9 A E + 0 0 4 9,-0.1 2,-0.3 31,-0.1 -1,-0.1 -0.987 65.1 169.3-140.7 153.2 57.9 91.2 -52.5 12 10 A F > - 0 0 4 -2,-0.3 3,-1.9 3,-0.3 10,-0.1 -0.959 45.0 -49.3-158.5 136.2 61.2 89.4 -52.8 13 11 A L T 3 S+ 0 0 61 8,-0.9 3,-0.0 1,-0.3 -2,-0.0 -0.200 122.0 31.1 -47.7 140.9 64.5 90.5 -54.2 14 12 A P T 3 S+ 0 0 88 0, 0.0 2,-1.2 0, 0.0 -1,-0.3 -0.999 109.1 76.1 -83.6 -2.5 65.1 91.9 -56.8 15 13 A V S < S- 0 0 8 -3,-1.9 2,-0.5 6,-0.1 -3,-0.3 -0.538 70.3-177.7 -71.8 96.2 61.7 93.5 -56.5 16 14 A K + 0 0 141 -2,-1.2 3,-0.1 1,-0.2 -1,-0.0 -0.848 28.7 138.7-105.8 127.8 62.5 96.1 -53.8 17 15 A V S S- 0 0 78 -2,-0.5 -1,-0.2 1,-0.2 2,-0.1 0.531 78.2 -10.6-120.9 -68.5 60.0 98.5 -52.3 18 16 A G S S- 0 0 38 0, 0.0 4,-0.3 0, 0.0 -1,-0.2 0.074 95.1 -71.7-104.3-141.7 60.7 98.7 -48.5 19 17 A G S > S+ 0 0 54 1,-0.1 4,-2.2 2,-0.1 3,-0.2 0.536 111.5 87.5 -92.2 -11.2 63.0 96.5 -46.4 20 18 A L H > S+ 0 0 17 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.861 82.3 56.0 -56.8 -42.2 60.6 93.5 -46.6 21 19 A A H > S+ 0 0 0 1,-0.2 4,-1.7 2,-0.2 -8,-0.9 0.912 112.0 41.3 -59.5 -46.4 62.1 92.2 -49.9 22 20 A E H > S+ 0 0 63 -4,-0.3 4,-1.8 -3,-0.2 -1,-0.2 0.872 113.9 54.0 -69.9 -38.2 65.7 92.0 -48.4 23 21 A A H X S+ 0 0 12 -4,-2.2 4,-1.3 2,-0.2 -2,-0.2 0.827 109.8 46.2 -66.6 -35.0 64.4 90.6 -45.1 24 22 A L H X S+ 0 0 0 -4,-2.2 4,-2.5 2,-0.2 -1,-0.2 0.888 110.7 51.9 -76.4 -39.8 62.4 87.7 -46.7 25 23 A T H X S+ 0 0 10 -4,-1.7 4,-2.4 -5,-0.2 5,-0.2 0.878 110.1 49.9 -61.2 -39.9 65.3 86.7 -49.0 26 24 A A H X S+ 0 0 18 -4,-1.8 4,-1.8 2,-0.2 -1,-0.2 0.866 111.6 48.1 -68.2 -38.4 67.7 86.6 -46.0 27 25 A I H X S+ 0 0 1 -4,-1.3 4,-2.1 2,-0.2 -2,-0.2 0.912 113.5 48.5 -64.2 -44.4 65.2 84.4 -44.1 28 26 A S H X S+ 0 0 0 -4,-2.5 4,-2.0 1,-0.2 -2,-0.2 0.900 112.9 45.5 -65.2 -44.3 64.8 82.1 -47.1 29 27 A E H X S+ 0 0 60 -4,-2.4 4,-2.0 2,-0.2 -1,-0.2 0.857 111.0 53.6 -69.0 -36.7 68.5 81.7 -47.7 30 28 A A H X S+ 0 0 13 -4,-1.8 4,-1.6 2,-0.2 -2,-0.2 0.920 110.3 46.8 -63.2 -46.7 69.3 81.1 -44.1 31 29 A L H <>S+ 0 0 0 -4,-2.1 5,-2.1 1,-0.2 -2,-0.2 0.900 111.9 51.6 -58.5 -44.1 66.6 78.3 -43.9 32 30 A A H ><5S+ 0 0 9 -4,-2.0 3,-0.9 1,-0.2 -2,-0.2 0.847 108.3 51.9 -62.3 -35.5 68.1 76.8 -47.1 33 31 A S H 3<5S+ 0 0 100 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.819 101.9 59.2 -70.9 -33.3 71.6 76.9 -45.6 34 32 A L T 3<5S- 0 0 54 -4,-1.6 -1,-0.2 -5,-0.1 -2,-0.2 0.447 128.0 -97.5 -76.2 -0.2 70.4 75.0 -42.5 35 33 A G T < 5S+ 0 0 26 -3,-0.9 2,-0.3 1,-0.3 -3,-0.2 0.576 79.1 136.0 98.3 12.9 69.3 72.2 -44.9 36 34 A H < - 0 0 10 -5,-2.1 2,-0.6 -34,-0.1 -1,-0.3 -0.694 57.0-123.2 -89.7 144.4 65.6 72.9 -45.3 37 35 A E E -a 4 0A 86 -34,-1.1 -32,-2.7 -2,-0.3 2,-0.5 -0.794 35.0-164.4 -82.9 120.9 63.9 72.8 -48.6 38 36 A V E -ac 5 75A 0 36,-2.1 38,-2.3 -2,-0.6 2,-0.5 -0.945 13.2-168.0-117.1 130.2 62.3 76.2 -49.1 39 37 A L E -ac 6 76A 1 -34,-3.4 -32,-3.7 -2,-0.5 2,-0.5 -0.972 7.8-163.3-113.8 125.7 59.7 77.2 -51.6 40 38 A V E -ac 7 77A 0 36,-2.9 38,-3.4 -2,-0.5 2,-0.5 -0.948 5.8-170.9-112.2 121.4 58.9 80.9 -52.2 41 39 A F E +ac 8 78A 0 -34,-2.3 -32,-1.8 -2,-0.5 38,-0.2 -0.942 22.5 151.6-101.4 132.8 55.8 82.1 -53.9 42 40 A T E - c 0 79A 3 36,-1.9 38,-2.9 -2,-0.5 -32,-0.2 -0.975 47.4 -94.1-153.8 152.3 55.7 85.8 -54.7 43 41 A P E - c 0 80A 2 0, 0.0 38,-0.2 0, 0.0 -31,-0.2 -0.418 21.1-140.7 -70.2 150.3 54.1 87.9 -57.4 44 42 A S > - 0 0 3 36,-1.9 3,-1.1 22,-0.1 4,-0.2 0.764 21.6-150.8 -77.3 -27.2 56.0 88.7 -60.6 45 43 A H T 3 - 0 0 0 40,-1.3 41,-0.3 35,-0.4 36,-0.1 0.855 64.8 -62.1 55.1 40.0 54.7 92.3 -60.7 46 44 A G T 3 S+ 0 0 29 39,-0.9 -1,-0.2 2,-0.1 42,-0.1 0.659 119.8 102.6 67.8 20.6 54.9 92.4 -64.5 47 45 A R < + 0 0 109 -3,-1.1 2,-0.3 40,-0.1 -2,-0.1 0.847 63.3 56.3-102.5 -42.5 58.7 91.9 -64.4 48 46 A F S S- 0 0 68 -4,-0.2 2,-0.3 20,-0.0 -2,-0.1 -0.740 74.5-116.3-111.3 144.1 59.7 88.3 -65.3 49 47 A Q + 0 0 163 -2,-0.3 2,-0.3 -3,-0.0 -2,-0.0 -0.553 42.1 175.7 -72.4 134.2 59.0 85.9 -68.2 50 48 A G - 0 0 5 -2,-0.3 2,-0.4 18,-0.1 18,-0.2 -0.920 29.1-123.7-137.6 162.6 56.9 82.9 -67.3 51 49 A E E -D 67 0A 132 16,-2.0 16,-1.8 -2,-0.3 2,-0.2 -0.854 40.0-102.0-106.4 145.7 55.3 79.8 -68.8 52 50 A E E +D 66 0A 121 -2,-0.4 14,-0.3 14,-0.2 3,-0.1 -0.445 34.0 177.4 -72.9 134.5 51.6 79.2 -68.4 53 51 A I E - 0 0 50 12,-2.0 2,-0.3 1,-0.4 13,-0.1 0.270 59.9 -61.1-116.6 7.3 50.5 76.6 -65.8 54 52 A G E -D 65 0A 23 11,-0.8 11,-2.6 2,-0.0 -1,-0.4 -0.860 53.3 -79.7 142.8-175.5 46.7 77.0 -66.1 55 53 A K E -D 64 0A 70 824,-0.3 824,-0.9 -2,-0.3 2,-0.3 -0.909 30.1-170.4-125.2 151.6 43.7 79.2 -65.7 56 54 A I E -DE 63 878A 0 7,-2.1 7,-2.9 -2,-0.3 2,-0.5 -0.933 23.4-120.6-134.5 161.4 41.6 80.4 -62.8 57 55 A R E +D 62 0A 73 820,-2.1 2,-0.3 -2,-0.3 5,-0.2 -0.916 37.3 162.0-101.3 125.2 38.4 82.3 -62.3 58 56 A V E > -D 61 0A 3 3,-2.5 3,-0.8 -2,-0.5 110,-0.1 -0.968 67.4 -5.4-143.8 131.0 38.6 85.6 -60.3 59 57 A F T 3 S- 0 0 29 -2,-0.3 3,-0.1 108,-0.3 -1,-0.1 0.894 129.8 -55.0 55.1 45.4 36.0 88.4 -60.2 60 58 A G T 3 S+ 0 0 67 1,-0.2 2,-0.3 107,-0.1 -1,-0.2 0.719 118.3 106.6 64.3 24.9 33.9 86.7 -62.9 61 59 A E E < S-D 58 0A 132 -3,-0.8 -3,-2.5 2,-0.0 2,-0.5 -0.966 70.8-118.0-138.8 151.5 36.9 86.5 -65.3 62 60 A E E -D 57 0A 130 -2,-0.3 2,-0.4 -5,-0.2 -5,-0.2 -0.747 31.1-169.0 -89.1 126.1 39.3 84.0 -66.7 63 61 A V E -D 56 0A 18 -7,-2.9 -7,-2.1 -2,-0.5 2,-0.7 -0.973 17.8-138.4-122.0 130.3 43.0 84.6 -65.8 64 62 A Q E -D 55 0A 61 -2,-0.4 2,-0.3 -9,-0.2 19,-0.3 -0.784 22.7-145.1 -87.2 114.9 46.0 82.8 -67.4 65 63 A V E -D 54 0A 2 -11,-2.6 -12,-2.0 -2,-0.7 -11,-0.8 -0.661 17.5-172.0 -85.2 133.8 48.5 82.1 -64.6 66 64 A K E -DF 52 81A 83 15,-2.6 15,-2.6 -2,-0.3 2,-0.4 -0.898 2.8-161.2-122.9 151.9 52.2 82.2 -65.5 67 65 A V E -DF 51 80A 16 -16,-1.8 -16,-2.0 -2,-0.3 2,-0.4 -0.999 10.8-158.5-140.1 139.3 55.3 81.2 -63.5 68 66 A S E - F 0 79A 17 11,-1.5 11,-2.1 -2,-0.4 2,-0.5 -0.933 19.3-149.9-108.5 138.8 59.0 81.9 -63.5 69 67 A Y E + F 0 78A 110 -2,-0.4 2,-0.4 9,-0.2 9,-0.2 -0.935 18.0 173.9-115.5 129.4 61.3 79.4 -61.8 70 68 A E E - F 0 77A 87 7,-2.3 7,-3.8 -2,-0.5 2,-0.4 -0.995 10.3-164.3-132.2 131.9 64.6 80.1 -60.0 71 69 A E E + F 0 76A 122 -2,-0.4 2,-0.3 5,-0.2 5,-0.2 -0.948 12.6 172.1-117.3 129.8 66.6 77.5 -58.1 72 70 A R E > - F 0 75A 139 3,-3.1 3,-2.0 -2,-0.4 2,-0.5 -0.756 65.1 -67.9-138.6 87.3 69.5 78.4 -55.7 73 71 A G T 3 S- 0 0 70 -2,-0.3 -1,-0.1 1,-0.3 -40,-0.1 -0.553 120.5 -9.5 66.6-117.8 70.7 75.3 -53.7 74 72 A N T 3 S+ 0 0 76 -2,-0.5 -36,-2.1 -45,-0.1 2,-0.4 0.512 119.7 95.7 -86.2 -8.0 67.8 74.4 -51.4 75 73 A L E < -cF 38 72A 1 -3,-2.0 -3,-3.1 -38,-0.2 2,-0.4 -0.725 53.2-173.1 -88.2 131.8 65.9 77.6 -52.2 76 74 A R E -cF 39 71A 19 -38,-2.3 -36,-2.9 -2,-0.4 2,-0.5 -0.980 6.8-160.9-128.4 118.7 63.3 77.4 -55.0 77 75 A I E -cF 40 70A 7 -7,-3.8 -7,-2.3 -2,-0.4 2,-0.5 -0.874 7.9-171.7-111.5 125.1 61.7 80.6 -56.1 78 76 A Y E -cF 41 69A 21 -38,-3.4 -36,-1.9 -2,-0.5 2,-0.7 -0.963 5.1-165.0-115.6 114.6 58.3 80.9 -58.0 79 77 A R E -cF 42 68A 15 -11,-2.1 -11,-1.5 -2,-0.5 2,-0.6 -0.888 17.4-149.3-103.1 108.3 57.4 84.3 -59.3 80 78 A I E +cF 43 67A 0 -38,-2.9 -36,-1.9 -2,-0.7 -35,-0.4 -0.677 18.9 178.3 -93.3 117.0 53.7 84.1 -60.2 81 79 A G E + F 0 66A 3 -15,-2.6 -15,-2.6 -2,-0.6 5,-0.1 -0.593 22.2 104.5-106.5 170.4 52.3 86.3 -63.0 82 80 A G S > S- 0 0 2 1,-0.3 3,-2.0 -17,-0.2 5,-0.1 -0.006 73.8 -8.3 127.4 132.3 48.8 86.6 -64.6 83 81 A G G > S- 0 0 43 1,-0.3 3,-1.4 -19,-0.3 -1,-0.3 -0.394 134.8 -3.6 63.3-127.8 46.0 89.2 -64.6 84 82 A L G > S+ 0 0 58 1,-0.3 3,-1.6 2,-0.2 -1,-0.3 0.624 123.6 76.4 -73.5 -13.6 46.6 91.9 -62.0 85 83 A L G < S+ 0 0 1 -3,-2.0 -40,-1.3 1,-0.3 -39,-0.9 0.624 86.7 64.1 -68.7 -13.7 49.8 90.1 -60.9 86 84 A D G < S+ 0 0 78 -3,-1.4 2,-0.4 -41,-0.3 -1,-0.3 0.353 75.6 117.5 -86.2 2.4 51.3 91.5 -64.1 87 85 A S < - 0 0 24 -3,-1.6 5,-0.1 1,-0.1 -40,-0.1 -0.599 58.5-151.1 -73.6 127.6 50.8 95.1 -62.7 88 86 A E S S+ 0 0 134 -2,-0.4 2,-0.8 -42,-0.1 -1,-0.1 0.806 77.3 91.9 -70.8 -30.9 54.2 96.8 -62.3 89 87 A D S > S- 0 0 90 1,-0.2 3,-1.1 2,-0.1 -2,-0.1 -0.565 70.4-157.5 -63.1 106.2 52.9 98.9 -59.4 90 88 A V T 3 S+ 0 0 9 -2,-0.8 2,-0.8 1,-0.3 -1,-0.2 0.957 88.7 29.5 -57.9 -59.4 53.9 96.5 -56.6 91 89 A Y T 3 S- 0 0 61 -3,-0.1 -1,-0.3 10,-0.0 3,-0.2 -0.499 127.8 -26.0 -98.2 61.4 51.4 97.8 -54.0 92 90 A G < - 0 0 0 -3,-1.1 9,-0.1 -2,-0.8 -5,-0.1 -0.797 17.2-138.2-161.9-157.4 48.8 98.8 -56.6 93 91 A P S > S- 0 0 61 0, 0.0 4,-0.6 0, 0.0 -1,-0.2 0.143 106.6 -50.8 -83.1 107.3 47.4 99.7 -59.1 94 92 A G H > S- 0 0 47 -3,-0.2 4,-1.7 3,-0.2 5,-0.1 -0.187 79.1 -69.1 82.0 177.2 45.4 101.8 -56.6 95 93 A W H > S+ 0 0 121 2,-0.2 4,-1.7 1,-0.2 5,-0.2 0.946 134.1 43.7 -71.7 -50.8 43.8 100.5 -53.4 96 94 A D H > S+ 0 0 68 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.925 114.9 51.5 -59.9 -45.4 41.0 98.4 -55.0 97 95 A G H X S+ 0 0 8 -4,-0.6 4,-2.4 1,-0.2 -1,-0.2 0.862 107.0 53.3 -58.3 -40.4 43.5 97.1 -57.5 98 96 A L H X S+ 0 0 7 -4,-1.7 4,-2.2 2,-0.2 -1,-0.2 0.878 109.6 47.8 -63.0 -40.4 46.0 96.1 -54.8 99 97 A I H X S+ 0 0 0 -4,-1.7 4,-2.3 2,-0.2 -2,-0.2 0.919 113.2 47.6 -68.5 -43.5 43.2 94.1 -52.9 100 98 A R H X S+ 0 0 68 -4,-2.3 4,-2.7 2,-0.2 -2,-0.2 0.877 111.4 51.6 -62.8 -39.4 42.2 92.4 -56.2 101 99 A K H X S+ 0 0 0 -4,-2.4 4,-2.1 2,-0.2 -2,-0.2 0.911 109.8 49.5 -62.1 -44.1 45.9 91.6 -56.9 102 100 A A H X S+ 0 0 0 -4,-2.2 4,-1.0 2,-0.2 -2,-0.2 0.877 111.8 48.4 -62.6 -40.6 46.2 90.1 -53.4 103 101 A V H >X S+ 0 0 0 -4,-2.3 4,-1.7 2,-0.2 3,-0.5 0.916 110.0 51.6 -64.8 -44.4 43.1 88.0 -54.0 104 102 A T H 3X S+ 0 0 4 -4,-2.7 4,-2.0 1,-0.2 5,-0.2 0.864 105.3 56.5 -60.1 -37.4 44.4 86.8 -57.4 105 103 A F H 3X S+ 0 0 0 -4,-2.1 4,-1.6 1,-0.2 -1,-0.2 0.809 104.5 55.3 -63.2 -30.6 47.7 85.9 -55.6 106 104 A G H < S+ 0 0 28 -4,-1.5 3,-1.0 -3,-0.2 4,-0.2 0.857 112.3 52.2 -72.5 -37.3 50.3 71.4 -59.7 116 114 A L H >X S+ 0 0 26 -4,-2.4 3,-1.9 1,-0.2 4,-0.5 0.879 101.2 61.3 -66.0 -37.6 53.5 70.9 -57.6 117 115 A L T 3< S+ 0 0 1 -4,-2.3 755,-0.4 1,-0.3 -1,-0.2 0.516 86.7 76.8 -68.1 -5.5 51.6 68.3 -55.4 118 116 A R T <4 S+ 0 0 124 -3,-1.0 -1,-0.3 753,-0.2 -2,-0.2 0.747 115.8 14.7 -70.8 -24.8 51.2 66.2 -58.5 119 117 A E T <4 S+ 0 0 183 -3,-1.9 -2,-0.2 -4,-0.2 -1,-0.1 0.210 125.9 42.3-139.0 15.5 54.9 65.2 -58.2 120 118 A E S < S- 0 0 35 -4,-0.5 -1,-0.1 750,-0.1 2,-0.0 -0.989 81.9 -86.9-156.8 163.0 56.1 66.1 -54.6 121 119 A P - 0 0 81 0, 0.0 -3,-0.1 0, 0.0 -2,-0.1 -0.289 47.8 -96.2 -72.2 158.4 55.0 66.0 -51.0 122 120 A L - 0 0 20 743,-0.1 -118,-0.1 1,-0.1 748,-0.1 -0.451 47.7-105.8 -68.3 138.4 53.0 68.7 -49.2 123 121 A P - 0 0 3 0, 0.0 -118,-0.2 0, 0.0 -1,-0.1 -0.325 19.4-127.3 -67.7 155.5 55.2 71.2 -47.3 124 122 A D S S+ 0 0 80 -120,-1.7 2,-0.3 1,-0.2 -119,-0.2 0.783 86.6 13.8 -75.7 -30.3 55.3 70.9 -43.5 125 123 A V E -b 5 0A 0 -121,-1.3 -119,-2.4 21,-0.1 2,-0.6 -0.997 60.8-141.0-146.0 147.5 54.4 74.6 -42.8 126 124 A V E -bg 6 148A 0 21,-2.9 23,-2.5 -2,-0.3 2,-0.7 -0.959 21.1-169.3-108.4 117.3 53.1 77.6 -44.7 127 125 A H E +bg 7 149A 0 -121,-2.9 -119,-2.6 -2,-0.6 2,-0.3 -0.900 8.9 179.8-114.2 105.1 54.9 80.8 -43.6 128 126 A F E -bg 8 150A 0 21,-1.9 23,-2.1 -2,-0.7 2,-0.5 -0.858 14.7-145.1-117.5 143.8 53.2 84.0 -44.8 129 127 A H E - g 0 151A 1 -121,-1.8 -119,-0.4 -2,-0.3 4,-0.3 -0.923 52.9 -18.7-120.6 123.7 54.3 87.6 -44.2 130 128 A D S > S- 0 0 8 21,-2.4 3,-1.5 -2,-0.5 4,-0.2 0.249 87.8 -68.8 64.4 168.0 52.1 90.7 -43.8 131 129 A W G > S+ 0 0 2 23,-0.3 3,-1.6 1,-0.3 4,-0.3 0.720 118.9 74.4 -67.6 -24.2 48.4 91.2 -44.8 132 130 A H G 3 S+ 0 0 8 1,-0.3 -1,-0.3 -3,-0.1 3,-0.2 0.699 100.9 44.8 -62.4 -20.9 49.0 91.2 -48.5 133 131 A T G <> S+ 0 0 0 -3,-1.5 4,-2.9 -4,-0.3 -1,-0.3 0.339 82.6 99.6-104.3 4.1 49.5 87.4 -48.4 134 132 A V H <> S+ 0 0 0 -3,-1.6 4,-2.4 1,-0.2 5,-0.2 0.788 79.1 55.4 -66.3 -30.4 46.5 86.5 -46.1 135 133 A F H > S+ 0 0 0 -4,-0.3 4,-1.7 -3,-0.2 -1,-0.2 0.888 113.6 42.8 -67.2 -38.1 44.2 85.5 -48.9 136 134 A A H > S+ 0 0 0 -3,-0.3 4,-2.5 2,-0.2 5,-0.2 0.949 116.1 47.0 -69.5 -51.3 46.9 83.0 -50.0 137 135 A G H X S+ 0 0 0 -4,-2.9 4,-2.5 1,-0.2 -2,-0.2 0.914 114.7 46.0 -56.2 -47.6 47.7 81.8 -46.5 138 136 A A H X S+ 0 0 5 -4,-2.4 4,-2.1 2,-0.2 -1,-0.2 0.896 113.4 48.6 -66.3 -43.1 44.1 81.3 -45.5 139 137 A L H X S+ 0 0 0 -4,-1.7 4,-1.9 -5,-0.2 5,-0.3 0.900 113.5 46.9 -63.3 -43.2 43.1 79.5 -48.7 140 138 A I H X>S+ 0 0 0 -4,-2.5 4,-2.2 1,-0.2 5,-0.5 0.927 114.1 47.6 -65.4 -45.2 46.1 77.1 -48.4 141 139 A K H X5S+ 0 0 42 -4,-2.5 4,-0.9 -5,-0.2 -2,-0.2 0.862 110.7 54.7 -59.2 -39.2 45.3 76.5 -44.8 142 140 A K H <5S+ 0 0 60 -4,-2.1 -2,-0.2 -5,-0.2 -1,-0.2 0.938 120.8 24.1 -62.6 -51.6 41.7 75.9 -45.6 143 141 A Y H <5S+ 0 0 28 -4,-1.9 -2,-0.2 1,-0.1 -3,-0.2 0.886 129.4 37.4 -87.0 -43.1 42.1 73.2 -48.3 144 142 A F H <5S- 0 0 7 -4,-2.2 -3,-0.2 -5,-0.3 -2,-0.1 0.618 87.2-144.7 -94.0 -14.5 45.5 71.5 -47.5 145 143 A K << + 0 0 159 -4,-0.9 -4,-0.2 -5,-0.5 -3,-0.1 0.727 43.0 149.5 64.3 28.0 45.2 71.7 -43.7 146 144 A I - 0 0 12 -6,-0.4 -1,-0.2 1,-0.1 -21,-0.1 -0.673 57.1 -80.8 -95.6 149.1 49.0 72.3 -43.1 147 145 A P - 0 0 58 0, 0.0 -21,-2.9 0, 0.0 2,-0.4 -0.140 48.4-152.6 -43.6 131.9 50.5 74.2 -40.1 148 146 A A E -g 126 0A 0 -23,-0.2 42,-1.9 40,-0.2 43,-1.4 -0.919 14.2-172.8-117.4 137.5 50.3 78.0 -40.7 149 147 A V E -gh 127 191A 3 -23,-2.5 -21,-1.9 -2,-0.4 2,-0.6 -0.997 8.7-159.1-130.0 128.1 52.6 80.7 -39.2 150 148 A F E -gh 128 192A 0 41,-1.8 43,-2.6 -2,-0.4 2,-0.5 -0.930 4.8-165.2-114.5 116.6 51.9 84.4 -39.7 151 149 A T E -gh 129 193A 0 -23,-2.1 -21,-2.4 -2,-0.6 2,-0.6 -0.882 5.6-155.2-104.3 128.3 54.7 87.0 -39.4 152 150 A I E + h 0 194A 0 41,-2.6 43,-1.0 -2,-0.5 3,-0.1 -0.916 22.3 165.1-104.2 116.2 53.9 90.7 -39.0 153 151 A H S S+ 0 0 19 -2,-0.6 2,-0.3 1,-0.4 -1,-0.2 0.733 76.3 7.4 -91.1 -32.5 56.7 93.0 -40.1 154 152 A R - 0 0 112 188,-0.1 2,-0.6 40,-0.0 -1,-0.4 -0.984 69.4-132.6-155.1 136.5 54.5 96.1 -40.2 155 153 A L - 0 0 14 -2,-0.3 -3,-0.0 1,-0.1 0, 0.0 -0.862 16.4-178.1 -97.7 121.5 50.9 96.8 -39.1 156 154 A N - 0 0 54 -2,-0.6 -1,-0.1 2,-0.1 0, 0.0 0.696 23.5-152.0 -90.1 -23.5 48.7 98.7 -41.7 157 155 A K + 0 0 125 1,-0.2 2,-0.3 23,-0.0 -2,-0.1 0.910 44.2 124.8 54.5 57.9 45.6 98.9 -39.5 158 156 A S - 0 0 33 21,-0.0 2,-0.4 2,-0.0 24,-0.4 -0.950 51.1-131.8-138.9 161.9 42.8 99.0 -42.0 159 157 A K - 0 0 140 -2,-0.3 21,-0.3 21,-0.2 19,-0.0 -0.924 15.6-151.8-114.7 141.2 39.6 97.1 -42.8 160 158 A L E -K 179 0B 0 19,-2.9 19,-3.0 -2,-0.4 5,-0.1 -0.818 30.4 -95.1-107.5 149.8 38.6 95.8 -46.3 161 159 A P E >> -K 178 0B 53 0, 0.0 3,-1.0 0, 0.0 4,-0.5 -0.229 30.8-117.7 -58.3 152.4 35.0 95.2 -47.5 162 160 A A H >> S+ 0 0 18 15,-2.4 4,-1.8 1,-0.2 3,-1.0 0.804 104.3 79.8 -61.6 -33.3 33.5 91.7 -47.2 163 161 A F H 3> S+ 0 0 89 14,-0.3 4,-1.8 1,-0.2 -1,-0.2 0.828 89.2 53.0 -38.9 -46.5 33.2 91.6 -51.0 164 162 A Y H <> S+ 0 0 25 -3,-1.0 4,-1.0 1,-0.2 -1,-0.2 0.819 107.1 50.0 -70.1 -32.9 36.9 90.7 -51.4 165 163 A F H <<>S+ 0 0 0 -3,-1.0 5,-3.2 -4,-0.5 4,-0.2 0.824 109.6 52.2 -72.6 -33.3 36.8 87.7 -49.0 166 164 A H H ><5S+ 0 0 95 -4,-1.8 3,-0.7 3,-0.2 5,-0.3 0.866 110.8 47.6 -67.6 -37.9 33.7 86.4 -50.8 167 165 A E H 3<5S+ 0 0 57 -4,-1.8 -108,-0.3 1,-0.2 -2,-0.2 0.731 108.3 55.3 -73.5 -25.3 35.5 86.6 -54.2 168 166 A A T 3<5S- 0 0 0 -4,-1.0 -1,-0.2 -5,-0.2 -2,-0.2 0.460 120.4-109.0 -84.7 -3.4 38.6 84.9 -52.6 169 167 A G T < 5S+ 0 0 16 -3,-0.7 -3,-0.2 -4,-0.2 3,-0.2 0.691 91.5 111.3 82.0 22.5 36.5 81.9 -51.6 170 168 A L > < + 0 0 2 -5,-3.2 3,-1.6 1,-0.1 -4,-0.2 -0.315 22.3 140.2-123.8 46.9 36.7 82.9 -47.9 171 169 A S G > + 0 0 52 -5,-0.3 3,-1.6 1,-0.3 -5,-0.1 0.824 69.9 62.8 -57.8 -34.9 33.1 84.0 -47.1 172 170 A E G 3 S+ 0 0 108 1,-0.3 -1,-0.3 -3,-0.2 -2,-0.1 0.646 97.9 56.5 -68.5 -16.8 33.3 82.2 -43.7 173 171 A L G < S+ 0 0 29 -3,-1.6 -1,-0.3 1,-0.2 -2,-0.2 0.326 102.2 60.0 -94.1 5.9 36.1 84.6 -42.6 174 172 A A < + 0 0 6 -3,-1.6 -1,-0.2 -4,-0.1 -2,-0.1 -0.494 49.7 145.3-134.4 64.8 33.9 87.7 -43.3 175 173 A P + 0 0 104 0, 0.0 -1,-0.1 0, 0.0 -3,-0.1 0.599 67.5 61.4 -75.1 -13.1 30.8 87.6 -41.1 176 174 A Y S S- 0 0 167 -3,-0.1 -3,-0.0 2,-0.1 3,-0.0 -0.747 95.1-111.0-108.2 160.7 30.9 91.5 -40.8 177 175 A P S S+ 0 0 99 0, 0.0 -15,-2.4 0, 0.0 2,-0.3 0.814 104.9 33.7 -58.0 -33.4 30.6 94.1 -43.6 178 176 A D E S-K 161 0B 85 -17,-0.2 2,-0.4 -16,-0.1 -2,-0.1 -0.968 71.9-165.7-127.6 143.2 34.3 95.1 -43.1 179 177 A I E -K 160 0B 14 -19,-3.0 -19,-2.9 -2,-0.3 -5,-0.0 -0.990 21.0-135.9-136.7 130.3 37.3 92.9 -42.1 180 178 A D >> - 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