==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=2-SEP-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 28-JUN-12 3VUE . COMPND 2 MOLECULE: GRANULE-BOUND STARCH SYNTHASE 1, . SOURCE 2 ORGANISM_SCIENTIFIC: ORYZA SATIVA JAPONICA GROUP; . AUTHOR M.MOMMA,Z.FUJIMOTO . 488 2 1 1 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 20195.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 352 72.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 58 11.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 28 5.7 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 . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 0.6 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 . 49 10.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 63 12.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 135 27.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 1.4 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 1 1 0 1 3 0 1 1 2 1 1 1 0 1 0 1 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 2 2 2 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 . 1 1 2 1 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 0 ANTIPARALLEL BRIDGES PER LADDER . 0 1 0 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 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 81 A H 0 0 162 0, 0.0 484,-0.0 0, 0.0 2,-0.0 0.000 360.0 360.0 360.0 8.6 -70.9 -39.3 49.0 2 82 A H + 0 0 141 35,-0.0 2,-0.1 2,-0.0 35,-0.1 -0.493 360.0 169.1-149.0 67.5 -71.6 -36.8 51.8 3 83 A M - 0 0 12 1,-0.0 35,-1.5 -2,-0.0 2,-0.7 -0.386 37.8-124.1 -97.5 158.7 -68.3 -35.2 53.0 4 84 A N E -ab 38 131A 29 126,-0.7 128,-2.2 33,-0.2 2,-0.5 -0.902 31.5-166.1 -97.4 117.6 -67.2 -32.3 55.1 5 85 A V E -ab 39 132A 0 33,-3.2 35,-2.5 -2,-0.7 2,-0.5 -0.930 7.7-169.9-111.2 129.7 -65.0 -30.1 53.1 6 86 A V E -ab 40 133A 0 126,-2.9 128,-2.6 -2,-0.5 2,-0.3 -0.959 4.8-164.6-120.3 112.7 -62.9 -27.4 54.7 7 87 A F E -ab 41 134A 0 33,-2.5 35,-2.9 -2,-0.5 2,-0.3 -0.785 6.3-173.7 -95.3 140.8 -61.1 -24.8 52.5 8 88 A V E +ab 42 135A 0 126,-2.1 128,-1.3 -2,-0.3 2,-0.3 -0.986 18.4 134.0-136.5 141.8 -58.3 -22.6 53.8 9 89 A G - 0 0 0 33,-1.5 128,-0.1 -2,-0.3 -2,-0.0 -0.962 58.8-108.0-176.7 163.1 -56.5 -19.7 52.1 10 90 A A S S+ 0 0 5 126,-0.3 2,-0.3 -2,-0.3 33,-0.1 0.641 100.1 48.6 -80.8 -18.1 -55.2 -16.2 52.5 11 91 A E + 0 0 27 32,-0.1 2,-0.2 2,-0.0 6,-0.2 -0.876 56.2 179.1-123.0 159.7 -57.9 -14.7 50.2 12 92 A M B >> -J 16 0B 0 4,-1.2 4,-2.8 -2,-0.3 3,-0.5 -0.729 33.5-103.1-162.0 105.9 -61.8 -15.0 50.0 13 93 A A T 34 S+ 0 0 13 9,-1.7 4,-0.1 1,-0.3 -2,-0.0 -0.509 100.1 16.0 -74.2 140.5 -64.0 -13.2 47.5 14 94 A P T 34 S+ 0 0 108 0, 0.0 -1,-0.3 0, 0.0 3,-0.1 -1.000 132.3 47.1 -85.7 -7.0 -65.8 -10.8 48.1 15 95 A W T <4 S+ 0 0 34 -3,-0.5 2,-0.3 1,-0.2 -2,-0.3 0.915 127.3 3.6 -60.6 -47.1 -64.0 -10.1 51.3 16 96 A S B < S+J 12 0B 16 -4,-2.8 -4,-1.2 6,-0.1 2,-0.3 -0.998 71.3 147.0-147.1 140.0 -60.4 -10.4 50.0 17 97 A K + 0 0 71 -2,-0.3 3,-0.1 -6,-0.2 -6,-0.0 -0.899 13.0 149.5-174.2 135.7 -59.0 -11.0 46.5 18 98 A T S S+ 0 0 119 1,-0.4 2,-0.1 -2,-0.3 -1,-0.0 0.424 79.0 10.3-134.2 -57.7 -56.0 -10.0 44.3 19 99 A G S > S- 0 0 22 373,-0.0 4,-0.8 0, 0.0 -1,-0.4 -0.168 109.1 -63.1-101.7-157.6 -55.3 -12.9 41.9 20 100 A G H > S+ 0 0 30 1,-0.2 4,-1.7 2,-0.2 5,-0.1 0.358 118.0 81.9 -72.8 4.4 -57.4 -16.0 41.2 21 101 A L H > S+ 0 0 9 2,-0.2 4,-2.3 1,-0.1 5,-0.3 0.982 93.4 44.9 -72.9 -56.3 -57.1 -17.2 44.8 22 102 A G H > S+ 0 0 0 -3,-0.3 4,-2.0 1,-0.2 -9,-1.7 0.903 113.0 53.1 -41.0 -49.6 -59.9 -14.9 46.0 23 103 A D H X S+ 0 0 7 -4,-0.8 4,-2.1 1,-0.2 5,-0.3 0.913 109.2 47.8 -61.5 -45.0 -62.0 -15.9 43.0 24 104 A V H X S+ 0 0 2 -4,-1.7 4,-2.0 1,-0.2 -1,-0.2 0.909 113.1 45.5 -65.4 -43.9 -61.7 -19.6 43.6 25 105 A L H < S+ 0 0 0 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.772 112.4 55.5 -74.7 -23.6 -62.5 -19.5 47.3 26 106 A G H < S+ 0 0 14 -4,-2.0 -2,-0.2 -5,-0.3 -1,-0.2 0.956 123.3 17.2 -59.6 -55.3 -65.4 -17.2 46.5 27 107 A G H X S+ 0 0 18 -4,-2.1 4,-1.5 2,-0.1 -2,-0.2 0.784 113.3 61.9-105.5 -33.6 -67.2 -19.4 44.0 28 108 A L H X S+ 0 0 0 -4,-2.0 4,-0.8 -5,-0.3 5,-0.2 0.932 99.4 56.5 -64.6 -47.4 -66.1 -23.0 44.2 29 109 A P H >> S+ 0 0 0 0, 0.0 3,-2.3 0, 0.0 4,-2.1 0.940 107.8 46.1 -51.6 -56.3 -67.2 -23.7 47.9 30 110 A P H 3> S+ 0 0 20 0, 0.0 4,-2.9 0, 0.0 5,-0.2 0.884 108.7 56.8 -52.4 -46.6 -70.9 -22.7 47.3 31 111 A A H 3< S+ 0 0 17 -4,-1.5 4,-0.1 1,-0.2 -3,-0.1 0.637 110.4 45.2 -55.7 -20.1 -71.0 -24.8 44.2 32 112 A M H <<>S+ 0 0 0 -3,-2.3 5,-0.5 -4,-0.8 3,-0.4 0.742 109.1 54.3 -96.0 -32.0 -69.9 -27.7 46.3 33 113 A A H ><5S+ 0 0 18 -4,-2.1 3,-2.0 1,-0.2 4,-0.5 0.888 101.4 60.3 -60.3 -40.8 -72.4 -26.9 49.1 34 114 A A T 3<5S+ 0 0 90 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.736 98.7 60.1 -59.2 -25.5 -75.1 -27.0 46.4 35 115 A N T 3 5S- 0 0 51 -3,-0.4 -1,-0.3 -5,-0.2 -2,-0.2 0.267 127.4 -92.7 -88.4 7.5 -74.1 -30.6 45.8 36 116 A G T < 5S+ 0 0 42 -3,-2.0 2,-0.4 1,-0.3 -3,-0.2 0.906 81.4 127.6 87.1 44.1 -75.0 -31.7 49.4 37 117 A H < - 0 0 3 -5,-0.5 2,-0.5 -4,-0.5 -1,-0.3 -0.939 63.0-116.5-128.8 146.8 -71.7 -31.4 51.3 38 118 A R E -a 4 0A 9 -35,-1.5 -33,-3.2 -2,-0.4 2,-0.4 -0.760 43.2-170.2 -81.6 129.6 -71.0 -29.5 54.4 39 119 A V E +a 5 0A 0 -2,-0.5 42,-2.3 40,-0.4 2,-0.3 -0.961 15.8 179.3-138.6 119.6 -68.5 -26.8 53.4 40 120 A M E -ac 6 81A 0 -35,-2.5 -33,-2.5 -2,-0.4 2,-0.3 -0.774 9.3-161.4-108.0 157.7 -66.5 -24.4 55.5 41 121 A V E -ac 7 82A 0 40,-2.3 42,-2.6 -2,-0.3 2,-0.5 -0.914 6.7-168.8-141.9 115.9 -64.0 -21.7 54.3 42 122 A I E +ac 8 83A 0 -35,-2.9 -33,-1.5 -2,-0.3 42,-0.2 -0.888 20.3 146.0-106.7 128.2 -61.4 -20.2 56.6 43 123 A S E - c 0 84A 0 40,-1.8 42,-1.9 -2,-0.5 -33,-0.2 -0.943 49.1 -81.7-148.1 170.9 -59.4 -17.2 55.8 44 124 A P E - c 0 85A 0 0, 0.0 2,-0.6 0, 0.0 42,-0.2 -0.064 35.1-120.2 -68.9 177.4 -57.9 -14.2 57.7 45 125 A R + 0 0 22 40,-1.7 42,-0.4 39,-0.2 45,-0.1 -0.879 34.6 170.0-120.4 97.2 -59.9 -11.2 58.7 46 126 A Y + 0 0 68 -2,-0.6 2,-0.3 45,-0.1 -1,-0.1 0.585 66.8 10.9 -84.8 -15.6 -58.1 -8.2 57.1 47 127 A D S S- 0 0 106 0, 0.0 2,-1.5 0, 0.0 45,-0.0 -0.914 94.0 -80.0-153.9 174.0 -60.8 -5.6 57.9 48 128 A Q - 0 0 146 -2,-0.3 2,-0.2 43,-0.1 -3,-0.0 -0.568 52.7-149.7 -88.6 80.7 -64.0 -5.2 60.0 49 129 A Y > - 0 0 28 -2,-1.5 3,-1.5 1,-0.1 -34,-0.0 -0.287 8.8-147.0 -66.5 118.5 -66.5 -7.0 57.7 50 130 A K T 3 S+ 0 0 198 1,-0.3 -1,-0.1 -2,-0.2 -2,-0.0 0.918 98.6 42.8 -39.9 -63.4 -70.1 -5.7 57.9 51 131 A D T 3 S+ 0 0 81 2,-0.0 2,-0.5 24,-0.0 -1,-0.3 0.513 99.2 90.5 -70.2 -3.2 -71.7 -9.1 57.2 52 132 A A < - 0 0 8 -3,-1.5 2,-0.3 23,-0.1 23,-0.2 -0.860 59.8-161.9-110.0 128.5 -69.3 -11.0 59.5 53 133 A W E -D 74 0A 199 21,-2.1 21,-3.5 -2,-0.5 2,-0.2 -0.781 24.5-106.2-115.1 141.8 -70.1 -11.6 63.2 54 134 A D E -D 73 0A 67 -2,-0.3 19,-0.2 19,-0.3 -1,-0.0 -0.449 21.9-166.2 -64.0 126.1 -68.1 -12.5 66.4 55 135 A T E - 0 0 43 17,-2.3 -1,-0.1 -2,-0.2 18,-0.1 0.400 32.9-128.5 -94.6 -1.0 -68.8 -16.1 67.5 56 136 A S E + 0 0 104 16,-0.3 17,-0.1 1,-0.2 2,-0.1 0.203 67.5 125.7 74.2 -14.8 -67.2 -15.6 70.9 57 137 A V E - 0 0 43 15,-0.3 15,-1.4 14,-0.0 2,-0.3 -0.372 36.6-176.7 -74.9 154.9 -65.0 -18.6 70.5 58 138 A V E -D 71 0A 66 13,-0.2 2,-0.3 -3,-0.1 13,-0.2 -0.975 14.8-168.5-151.1 133.7 -61.1 -18.3 70.9 59 139 A A E -D 70 0A 12 11,-1.1 11,-2.4 -2,-0.3 2,-0.5 -0.898 22.7-131.0-113.7 157.5 -58.1 -20.6 70.6 60 140 A E E -D 69 0A 123 -2,-0.3 2,-0.4 9,-0.2 9,-0.2 -0.935 24.6-146.5-107.1 134.3 -54.6 -19.6 71.7 61 141 A I E -D 68 0A 5 7,-3.7 7,-2.8 -2,-0.5 2,-1.1 -0.887 10.6-140.5-115.2 129.1 -51.9 -20.2 69.2 62 142 A K E +D 67 0A 68 -2,-0.4 2,-0.5 5,-0.2 5,-0.2 -0.727 35.4 163.8 -82.8 91.5 -48.2 -21.3 69.7 63 143 A V E > -D 66 0A 3 3,-1.8 2,-0.9 -2,-1.1 3,-0.5 -0.954 69.6 -40.8-121.1 118.9 -46.3 -19.2 67.1 64 144 A A T 3 S- 0 0 25 118,-1.2 -2,-0.0 -2,-0.5 119,-0.0 -0.666 118.6 -48.3 61.3-102.0 -42.5 -18.9 67.5 65 145 A D T 3 S+ 0 0 96 -2,-0.9 -1,-0.2 2,-0.0 2,-0.2 0.551 115.9 103.7-121.7 -30.7 -42.8 -18.5 71.4 66 146 A R E < -D 63 0A 168 -3,-0.5 -3,-1.8 -4,-0.1 2,-0.4 -0.345 67.6-138.1 -54.4 115.5 -45.5 -15.8 71.6 67 147 A Y E -D 62 0A 139 -5,-0.2 2,-0.4 -2,-0.2 -5,-0.2 -0.700 27.4-155.1 -75.8 128.1 -48.9 -17.4 72.7 68 148 A E E -D 61 0A 45 -7,-2.8 -7,-3.7 -2,-0.4 2,-0.6 -0.908 14.1-143.2-124.4 134.2 -51.5 -15.8 70.5 69 149 A R E -D 60 0A 171 -2,-0.4 2,-0.4 -9,-0.2 -9,-0.2 -0.803 21.5-176.3 -95.5 121.0 -55.2 -15.2 71.0 70 150 A V E -D 59 0A 0 -11,-2.4 -11,-1.1 -2,-0.6 2,-0.4 -0.942 13.8-145.8-114.3 143.0 -57.4 -15.4 67.9 71 151 A R E -DE 58 86A 87 15,-1.1 15,-3.0 -2,-0.4 2,-0.5 -0.878 12.3-135.1-103.0 139.8 -61.1 -14.8 67.6 72 152 A F E - E 0 85A 0 -15,-1.4 -17,-2.3 -2,-0.4 -16,-0.3 -0.838 19.5-168.6 -89.0 125.2 -63.4 -16.7 65.2 73 153 A F E -DE 54 84A 9 11,-2.1 11,-2.2 -2,-0.5 -19,-0.3 -0.852 11.2-156.4-107.5 149.3 -65.9 -14.6 63.3 74 154 A H E +D 53 0A 23 -21,-3.5 -21,-2.1 -2,-0.3 9,-0.2 -0.696 24.7 169.8-128.7 176.7 -68.7 -16.2 61.3 75 155 A C - 0 0 15 -2,-0.2 7,-2.0 7,-0.2 2,-0.9 -0.506 20.8-151.0 173.6 100.9 -71.0 -15.7 58.4 76 156 A Y E +F 81 0A 58 5,-0.2 2,-0.3 -2,-0.1 5,-0.2 -0.814 35.6 159.4 -91.5 105.5 -73.3 -18.5 57.0 77 157 A K E > -F 80 0A 98 3,-2.3 3,-5.5 -2,-0.9 -2,-0.1 -0.790 54.4 -2.7-129.1 158.9 -73.7 -17.6 53.3 78 158 A R T 3 S- 0 0 170 1,-0.3 -45,-0.1 -2,-0.3 -44,-0.1 0.639 128.8 -54.6 21.6 44.6 -74.7 -19.5 50.1 79 159 A G T 3 S+ 0 0 26 1,-0.2 2,-0.5 -46,-0.1 -40,-0.4 0.676 115.9 126.4 74.5 19.0 -74.9 -22.8 52.0 80 160 A V E < - F 0 77A 0 -3,-5.5 -3,-2.3 -42,-0.1 2,-1.1 -0.946 63.3-139.1-125.5 119.3 -71.3 -22.0 53.1 81 161 A D E -cF 40 76A 2 -42,-2.3 -40,-2.3 -2,-0.5 2,-0.6 -0.619 30.0-168.2 -64.2 96.1 -69.8 -21.9 56.6 82 162 A R E -c 41 0A 6 -7,-2.0 2,-0.4 -2,-1.1 -7,-0.2 -0.875 6.2-176.4-102.5 117.6 -67.6 -18.8 56.1 83 163 A V E -c 42 0A 1 -42,-2.6 -40,-1.8 -2,-0.6 2,-0.3 -0.916 9.5-161.9-122.5 125.7 -65.1 -18.3 58.9 84 164 A F E -cE 43 73A 0 -11,-2.2 -11,-2.1 -2,-0.4 2,-0.6 -0.854 14.9-135.7-111.3 145.7 -62.6 -15.5 59.5 85 165 A I E -cE 44 72A 0 -42,-1.9 -40,-1.7 -2,-0.3 2,-0.3 -0.878 21.7-150.9-105.9 117.4 -59.5 -15.5 61.7 86 166 A D E + E 0 71A 14 -15,-3.0 -15,-1.1 -2,-0.6 -40,-0.1 -0.701 33.8 128.7 -93.4 135.1 -59.1 -12.3 63.8 87 167 A H >> - 0 0 13 -42,-0.4 3,-1.4 -2,-0.3 4,-1.4 -0.827 62.8-111.6-177.4 142.5 -55.8 -10.9 65.0 88 168 A P T 34 S+ 0 0 98 0, 0.0 -2,-0.0 0, 0.0 -1,-0.0 0.676 112.8 67.6 -54.1 -20.7 -54.0 -7.5 64.9 89 169 A S T >4 S+ 0 0 9 1,-0.2 3,-0.6 2,-0.2 11,-0.1 0.908 108.2 36.7 -61.5 -44.4 -51.4 -9.1 62.5 90 170 A F T <4 S+ 0 0 4 -3,-1.4 -1,-0.2 1,-0.2 -4,-0.0 0.734 105.5 69.2 -78.0 -27.4 -54.1 -9.3 59.8 91 171 A L T 3< S+ 0 0 39 -4,-1.4 -1,-0.2 -44,-0.0 -2,-0.2 0.238 77.1 157.8 -83.9 16.5 -55.8 -6.1 60.8 92 172 A E < 0 0 138 -3,-0.6 -3,-0.1 1,-0.1 -2,-0.0 0.210 360.0 360.0 -40.5 153.5 -52.8 -4.1 59.5 93 173 A K 0 0 225 0, 0.0 -1,-0.1 0, 0.0 0, 0.0 -0.030 360.0 360.0-129.7 360.0 -52.9 -0.4 58.4 94 ! 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 95 192 A K >> 0 0 122 0, 0.0 3,-2.1 0, 0.0 4,-0.5 0.000 360.0 360.0 360.0 -41.1 -40.6 -11.7 58.0 96 193 A D H 3> + 0 0 84 1,-0.3 4,-1.9 2,-0.2 3,-0.4 0.664 360.0 78.0 -54.1 -21.1 -43.7 -11.0 60.0 97 194 A N H 3> S+ 0 0 78 1,-0.2 4,-1.7 2,-0.2 -1,-0.3 0.770 84.7 60.5 -62.2 -28.6 -45.6 -12.8 57.3 98 195 A Q H <> S+ 0 0 3 -3,-2.1 4,-1.2 2,-0.2 -1,-0.2 0.880 105.7 46.1 -69.7 -37.8 -44.6 -16.2 58.6 99 196 A M H X S+ 0 0 44 -4,-0.5 4,-2.5 -3,-0.4 3,-0.5 0.958 107.9 57.8 -66.0 -50.6 -46.2 -15.5 62.0 100 197 A R H X S+ 0 0 26 -4,-1.9 4,-1.4 1,-0.2 -2,-0.2 0.896 113.6 37.6 -41.0 -53.7 -49.4 -14.2 60.3 101 198 A F H X S+ 0 0 9 -4,-1.7 4,-2.3 2,-0.3 -1,-0.2 0.596 106.2 62.1 -92.5 -9.4 -49.9 -17.5 58.4 102 199 A S H X S+ 0 0 0 -4,-1.2 4,-2.3 -3,-0.5 -1,-0.2 0.886 105.3 53.4 -69.4 -40.7 -48.8 -19.9 61.0 103 200 A L H X S+ 0 0 0 -4,-2.5 4,-3.0 2,-0.2 5,-0.3 0.960 109.4 47.0 -46.4 -58.9 -51.8 -18.3 62.8 104 201 A L H X S+ 0 0 0 -4,-1.4 4,-2.7 1,-0.2 -2,-0.2 0.939 113.3 46.3 -55.2 -54.0 -54.1 -19.1 59.8 105 202 A C H X S+ 0 0 0 -4,-2.3 4,-0.7 34,-0.3 -1,-0.2 0.895 116.8 45.3 -57.1 -41.7 -52.9 -22.7 59.4 106 203 A Q H >X S+ 0 0 19 -4,-2.3 3,-1.4 1,-0.2 4,-0.7 0.967 112.2 48.0 -73.1 -53.6 -53.2 -23.4 63.1 107 204 A A H >X S+ 0 0 0 -4,-3.0 4,-1.9 1,-0.3 3,-1.8 0.885 105.1 61.8 -46.3 -45.8 -56.5 -21.8 63.7 108 205 A A H 3< S+ 0 0 0 -4,-2.7 -1,-0.3 -5,-0.3 -2,-0.2 0.796 100.5 54.2 -57.6 -27.6 -57.9 -23.6 60.7 109 206 A L H << S+ 0 0 0 -3,-1.4 -1,-0.3 -4,-0.7 -2,-0.2 0.682 109.7 48.9 -79.4 -17.8 -57.1 -26.9 62.5 110 207 A E H XX S+ 0 0 36 -3,-1.8 4,-2.5 -4,-0.7 3,-1.6 0.840 96.4 67.3 -86.9 -35.9 -59.2 -25.6 65.5 111 208 A A H 3X S+ 0 0 2 -4,-1.9 4,-0.6 1,-0.3 16,-0.3 0.788 91.4 61.0 -60.8 -32.4 -62.3 -24.5 63.8 112 209 A P H 34 S+ 0 0 0 0, 0.0 16,-1.5 0, 0.0 -1,-0.3 0.424 119.7 26.9 -73.5 1.5 -63.5 -28.1 62.7 113 210 A R H <4 S+ 0 0 79 -3,-1.6 -2,-0.2 14,-0.2 -3,-0.1 0.642 119.0 48.9-130.4 -42.9 -63.7 -29.1 66.3 114 211 A I H < S+ 0 0 49 -4,-2.5 2,-0.5 14,-0.1 -3,-0.1 0.210 92.8 88.8 -97.7 13.4 -64.3 -26.1 68.5 115 212 A L < - 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0 0 79 -2,-0.5 4,-2.0 1,-0.2 3,-0.5 -0.417 5.0-140.9 -63.1 127.9 -37.3 -13.3 21.8 437 534 A P H > S+ 0 0 97 0, 0.0 4,-2.0 0, 0.0 -1,-0.2 0.867 103.0 57.7 -57.7 -35.9 -37.7 -11.7 18.4 438 535 A S H > S+ 0 0 68 1,-0.2 4,-1.7 2,-0.2 5,-0.1 0.854 105.6 50.7 -65.2 -34.7 -39.4 -14.8 17.1 439 536 A D H > S+ 0 0 8 -3,-0.5 4,-2.3 2,-0.2 5,-0.2 0.901 106.7 53.3 -63.3 -44.1 -42.0 -14.4 19.9 440 537 A V H X S+ 0 0 20 -4,-2.0 4,-2.1 1,-0.2 5,-0.2 0.914 108.7 52.4 -57.0 -36.3 -42.6 -10.8 18.9 441 538 A K H X S+ 0 0 125 -4,-2.0 4,-2.4 1,-0.2 -1,-0.2 0.895 108.5 48.3 -66.6 -42.0 -43.2 -12.1 15.5 442 539 A K H X S+ 0 0 67 -4,-1.7 4,-3.3 2,-0.2 5,-0.2 0.884 111.0 50.5 -62.7 -46.1 -45.8 -14.7 16.6 443 540 A V H X S+ 0 0 0 -4,-2.3 4,-2.0 1,-0.2 -2,-0.2 0.913 113.4 43.5 -66.9 -43.5 -47.7 -12.1 18.7 444 541 A A H X S+ 0 0 0 -4,-2.1 4,-2.4 -5,-0.2 -1,-0.2 0.946 114.2 51.8 -68.7 -42.4 -48.0 -9.6 16.0 445 542 A A H X S+ 0 0 34 -4,-2.4 4,-2.2 1,-0.2 3,-0.5 0.972 111.6 45.1 -57.9 -54.7 -48.9 -12.3 13.4 446 543 A T H X S+ 0 0 8 -4,-3.3 4,-2.4 1,-0.3 -1,-0.2 0.836 112.3 52.3 -60.2 -34.6 -51.7 -13.7 15.5 447 544 A L H X S+ 0 0 0 -4,-2.0 4,-2.3 -5,-0.2 -1,-0.3 0.870 107.8 52.4 -70.4 -34.0 -53.0 -10.3 16.3 448 545 A K H X S+ 0 0 50 -4,-2.4 4,-1.7 -3,-0.5 -2,-0.2 0.913 111.1 46.7 -63.7 -44.7 -53.0 -9.4 12.5 449 546 A R H X S+ 0 0 111 -4,-2.2 4,-1.3 2,-0.2 -2,-0.2 0.965 112.6 51.3 -55.0 -55.9 -55.1 -12.6 11.8 450 547 A A H >X S+ 0 0 0 -4,-2.4 4,-0.9 1,-0.3 3,-0.6 0.900 112.8 42.1 -54.9 -46.4 -57.4 -11.8 14.7 451 548 A I H 3< S+ 0 0 13 -4,-2.3 3,-0.3 1,-0.2 -1,-0.3 0.824 106.1 62.4 -77.0 -27.4 -58.2 -8.3 13.7 452 549 A K H 3< S+ 0 0 176 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.791 105.3 50.0 -64.4 -25.9 -58.5 -9.1 10.0 453 550 A V H X< S+ 0 0 37 -4,-1.3 3,-1.3 -3,-0.6 6,-0.5 0.687 84.8 106.8 -82.0 -25.6 -61.4 -11.4 11.1 454 551 A V T 3< S+ 0 0 29 -4,-0.9 4,-0.1 -3,-0.3 2,-0.0 -0.348 84.3 21.9 -58.4 139.1 -63.2 -8.7 13.1 455 552 A G T 3 S+ 0 0 55 1,-0.3 -1,-0.2 2,-0.1 -2,-0.1 -0.135 95.8 112.1 93.8 -37.3 -66.3 -7.4 11.3 456 553 A T S X> S- 0 0 57 -3,-1.3 3,-1.0 -4,-0.1 4,-0.9 -0.317 82.7-113.0 -62.9 151.9 -66.7 -10.6 9.1 457 554 A P H >> S+ 0 0 105 0, 0.0 4,-1.3 0, 0.0 3,-0.6 0.855 115.6 63.7 -55.5 -33.7 -69.8 -12.7 9.9 458 555 A A H 3> S+ 0 0 60 1,-0.2 4,-1.8 2,-0.2 3,-0.2 0.864 95.0 60.1 -60.5 -34.2 -67.5 -15.5 11.2 459 556 A Y H <> S+ 0 0 8 -3,-1.0 4,-2.3 -6,-0.5 -1,-0.2 0.871 100.7 54.6 -58.7 -38.9 -66.3 -13.2 14.0 460 557 A E H X S+ 0 0 58 -4,-3.2 3,-0.5 1,-0.2 4,-0.5 0.930 107.6 49.8 -55.1 -52.3 -69.4 -19.1 20.9 466 563 A C H >< S+ 0 0 0 -4,-3.2 3,-0.8 -46,-0.2 -2,-0.2 0.915 114.7 46.4 -52.0 -45.2 -67.6 -17.3 23.7 467 564 A M H 3< S+ 0 0 23 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.660 101.6 63.0 -77.4 -15.9 -71.0 -16.3 25.3 468 565 A N H << S+ 0 0 110 -4,-1.5 -1,-0.2 -3,-0.5 2,-0.2 0.567 80.4 105.8 -84.2 -5.3 -72.8 -19.7 25.1 469 566 A Q S << S- 0 0 71 -3,-0.8 2,-0.8 -4,-0.5 -3,-0.0 -0.488 73.9-126.4 -77.1 140.6 -70.3 -21.5 27.4 470 567 A D + 0 0 116 -2,-0.2 -1,-0.1 1,-0.1 -2,-0.1 -0.776 36.1 168.8 -76.0 114.9 -71.2 -22.3 30.9 471 568 A L + 0 0 25 -2,-0.8 -213,-1.4 -213,-0.1 -1,-0.1 0.088 39.3 110.2-115.0 20.5 -68.3 -20.7 32.7 472 569 A S S S- 0 0 24 -215,-0.2 3,-0.3 -213,-0.1 -213,-0.1 -0.208 83.6-102.3 -82.3-176.5 -69.9 -21.1 36.2 473 570 A W S > S+ 0 0 13 -215,-0.2 4,-2.9 1,-0.2 5,-0.2 0.463 98.8 92.0 -90.8 -1.8 -68.7 -23.5 38.9 474 571 A K H > S+ 0 0 150 2,-0.2 4,-1.2 1,-0.2 -1,-0.2 0.967 93.2 38.8 -58.7 -53.7 -71.4 -26.1 38.3 475 572 A G H > S+ 0 0 42 -3,-0.3 4,-0.9 1,-0.2 3,-0.4 0.930 119.2 45.7 -62.1 -51.4 -69.2 -28.1 35.9 476 573 A P H >> S+ 0 0 18 0, 0.0 4,-2.1 0, 0.0 3,-0.6 0.878 106.0 60.8 -62.0 -36.6 -65.9 -27.6 37.7 477 574 A A H 3X S+ 0 0 0 -4,-2.9 4,-2.5 1,-0.3 -2,-0.2 0.825 100.7 53.8 -63.2 -31.5 -67.4 -28.4 41.1 478 575 A K H 3X S+ 0 0 111 -4,-1.2 4,-1.9 -3,-0.4 -1,-0.3 0.811 108.1 51.3 -68.8 -30.8 -68.4 -31.9 39.9 479 576 A N H < S+ 0 0 18 -4,-1.8 3,-0.8 1,-0.2 4,-0.2 0.963 112.5 47.6 -66.2 -46.6 -61.2 -35.7 43.3 484 581 A L H >< S+ 0 0 2 -4,-3.0 3,-0.9 1,-0.2 -1,-0.2 0.798 109.0 54.2 -64.5 -26.0 -62.2 -35.3 46.9 485 582 A L H >< S+ 0 0 65 -4,-2.1 3,-0.9 1,-0.2 -1,-0.2 0.745 96.7 65.5 -77.6 -24.5 -64.2 -38.5 47.0 486 583 A G T << S+ 0 0 70 -4,-1.2 -1,-0.2 -3,-0.8 -2,-0.2 0.537 84.8 81.0 -71.2 -4.7 -61.3 -40.5 45.7 487 584 A L T < S- 0 0 9 -3,-0.9 2,-1.9 -4,-0.2 -1,-0.3 0.203 97.1-128.8 -91.4 12.4 -59.7 -39.6 49.0 488 585 A G < 0 0 72 -3,-0.9 -1,-0.1 1,-0.2 -327,-0.0 -0.536 360.0 360.0 79.7 -76.3 -61.4 -42.3 51.1 489 586 A V 0 0 64 -2,-1.9 -1,-0.2 -330,-0.3 -4,-0.1 0.749 360.0 360.0 -32.0 360.0 -62.8 -40.2 54.0