==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=9-AUG-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE, SUGAR BINDING PROTEIN 29-MAY-13 4KYQ . COMPND 2 MOLECULE: PHOSPHOGLUCAN PHOSPHATASE LSF2, CHLOROPLASTIC; . SOURCE 2 ORGANISM_SCIENTIFIC: ARABIDOPSIS THALIANA; . AUTHOR D.A.MEEKINS,H.-F.GUO,S.HUSODO,B.C.PAASCH,T.M.BRIDGES,D.SANTE . 206 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10365.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 141 68.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 17 8.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 6 2.9 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 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 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 . 1 0.5 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 . 7 3.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 21 10.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 80 38.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 1.9 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 0 0 0 1 0 0 1 2 1 2 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 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 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 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 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 77 A H 0 0 206 0, 0.0 2,-0.2 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 127.7 -17.7 -30.5 8.1 2 78 A M - 0 0 127 1,-0.1 2,-0.1 0, 0.0 0, 0.0 -0.551 360.0 -77.3-119.6 171.0 -18.9 -27.0 7.9 3 79 A M - 0 0 187 -2,-0.2 2,-0.3 1,-0.0 -1,-0.1 -0.456 47.0-172.4 -64.8 135.4 -18.2 -23.5 6.6 4 80 A R - 0 0 78 -2,-0.1 6,-0.1 6,-0.0 -1,-0.0 -0.906 31.9 -89.2-125.3 158.9 -15.4 -21.6 8.4 5 81 A S > - 0 0 44 -2,-0.3 3,-0.7 1,-0.1 0, 0.0 -0.412 34.5-137.6 -65.1 144.8 -14.1 -18.0 8.2 6 82 A P T 3 S+ 0 0 103 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.690 91.4 38.1 -84.2 -26.9 -11.3 -17.4 5.6 7 83 A Y T 3 S+ 0 0 149 2,-0.1 2,-0.3 146,-0.1 147,-0.1 0.098 102.7 85.3-111.4 17.7 -8.6 -15.2 7.2 8 84 A E S < S- 0 0 128 -3,-0.7 2,-0.2 145,-0.1 -4,-0.0 -0.907 82.3-102.4-126.3 150.8 -8.8 -16.7 10.7 9 85 A Y - 0 0 43 -2,-0.3 2,-0.4 1,-0.0 3,-0.1 -0.483 24.0-169.4 -74.0 133.8 -7.1 -19.7 12.3 10 86 A H > - 0 0 31 -2,-0.2 3,-1.7 4,-0.2 4,-0.2 -0.852 5.9-179.3-123.5 88.3 -9.1 -22.9 12.7 11 87 A H G > S+ 0 0 40 -2,-0.4 3,-2.0 1,-0.3 -1,-0.1 0.836 75.7 66.3 -62.9 -34.6 -6.9 -25.0 15.0 12 88 A D G 3 S+ 0 0 111 1,-0.3 -1,-0.3 -3,-0.1 3,-0.1 0.661 90.7 65.9 -61.6 -18.1 -9.3 -27.9 15.0 13 89 A L G < S- 0 0 88 -3,-1.7 -1,-0.3 1,-0.2 -2,-0.2 0.512 106.2-128.4 -81.8 -3.6 -8.6 -28.4 11.3 14 90 A G < - 0 0 22 -3,-2.0 -1,-0.2 -4,-0.2 -4,-0.2 -0.164 51.3 -17.1 84.3-179.9 -5.0 -29.4 12.0 15 91 A M - 0 0 30 -3,-0.1 2,-0.3 13,-0.1 14,-0.1 -0.309 65.3-175.5 -62.8 133.0 -1.7 -28.1 10.5 16 92 A N + 0 0 64 103,-0.1 12,-2.8 13,-0.0 2,-0.3 -0.958 6.5 166.1-129.2 152.3 -2.2 -26.2 7.3 17 93 A Y E -A 27 0A 59 -2,-0.3 2,-0.4 10,-0.3 10,-0.3 -0.988 24.3-143.2-161.4 164.2 0.4 -24.7 4.9 18 94 A T E -A 26 0A 32 8,-2.6 8,-2.7 -2,-0.3 2,-0.5 -0.998 20.8-130.0-137.1 130.6 1.2 -23.2 1.5 19 95 A L E +A 25 0A 58 -2,-0.4 6,-0.2 6,-0.2 3,-0.1 -0.695 30.2 172.4 -79.0 124.2 4.3 -23.7 -0.6 20 96 A I E - 0 0 5 4,-2.7 2,-0.3 1,-0.5 -1,-0.2 0.841 67.1 -0.3-104.6 -45.4 5.3 -20.1 -1.6 21 97 A R E > S-A 24 0A 82 3,-1.6 3,-2.0 1,-0.0 -1,-0.5 -0.909 84.8 -98.1-134.2 163.4 8.6 -20.7 -3.4 22 98 A D T 3 S+ 0 0 107 -2,-0.3 3,-0.1 1,-0.3 -1,-0.0 0.881 126.2 40.8 -51.4 -36.8 10.4 -24.1 -3.9 23 99 A E T 3 S+ 0 0 41 1,-0.1 90,-2.3 89,-0.1 2,-0.4 0.477 112.7 62.7 -87.0 -6.3 12.6 -23.3 -0.8 24 100 A L E < +Ab 21 113A 0 -3,-2.0 -4,-2.7 88,-0.2 -3,-1.6 -0.956 49.4 179.7-141.2 117.5 9.9 -21.9 1.4 25 101 A I E -Ab 19 114A 0 88,-2.9 90,-3.0 -2,-0.4 2,-0.4 -0.925 12.9-159.5-116.3 136.2 6.7 -23.2 2.9 26 102 A V E +Ab 18 115A 0 -8,-2.7 -8,-2.6 -2,-0.4 2,-0.3 -0.976 32.0 128.8-117.3 128.5 4.5 -20.9 5.1 27 103 A G E -Ab 17 116A 0 88,-2.2 90,-1.0 -2,-0.4 -10,-0.3 -0.898 51.1 -72.6-159.1-169.3 2.0 -22.5 7.5 28 104 A S - 0 0 0 -12,-2.8 91,-0.3 -2,-0.3 90,-0.2 -0.329 67.7 -65.1 -95.2 172.1 0.5 -23.0 10.9 29 105 A Q - 0 0 1 89,-2.3 -1,-0.2 88,-0.2 2,-0.1 -0.324 46.7-115.0 -63.6 133.7 2.0 -24.7 13.8 30 106 A P - 0 0 6 0, 0.0 -1,-0.1 0, 0.0 37,-0.1 -0.478 29.1-162.0 -57.6 136.5 2.8 -28.4 13.7 31 107 A Q + 0 0 45 1,-0.2 32,-0.4 -2,-0.1 36,-0.1 0.648 62.6 9.4-103.3 -21.3 0.5 -29.8 16.4 32 108 A K S >> S- 0 0 101 30,-0.1 3,-1.8 1,-0.1 4,-0.7 -0.973 82.7 -96.8-153.4 165.3 2.0 -33.2 17.1 33 109 A P H >> S+ 0 0 38 0, 0.0 3,-1.4 0, 0.0 4,-1.4 0.861 116.7 65.4 -60.6 -34.0 5.2 -35.1 16.2 34 110 A E H 3> S+ 0 0 119 1,-0.3 4,-2.1 2,-0.2 5,-0.1 0.746 92.2 64.0 -54.8 -27.7 3.5 -36.9 13.3 35 111 A D H <> S+ 0 0 18 -3,-1.8 4,-2.1 2,-0.2 -1,-0.3 0.825 99.6 53.2 -69.8 -29.0 3.1 -33.5 11.5 36 112 A I H S+ 0 0 73 -4,-2.1 4,-2.9 1,-0.2 5,-0.7 0.933 110.7 48.5 -59.4 -48.1 4.4 -35.5 7.2 39 115 A L H X5S+ 0 0 0 -4,-2.1 6,-1.6 1,-0.2 4,-1.3 0.908 115.1 44.2 -61.2 -39.9 6.6 -32.4 6.5 40 116 A K H X5S+ 0 0 70 -4,-2.7 4,-1.0 4,-0.2 -2,-0.2 0.936 122.0 37.6 -69.4 -47.7 9.8 -34.5 6.0 41 117 A Q H <5S+ 0 0 130 -4,-2.8 -2,-0.2 -5,-0.2 -3,-0.2 0.896 128.3 28.9 -77.1 -42.1 8.1 -37.2 3.9 42 118 A E H <5S+ 0 0 126 -4,-2.9 -3,-0.2 -5,-0.3 -2,-0.2 0.745 133.6 26.7 -93.3 -26.9 5.7 -35.1 1.7 43 119 A Q H <> - 0 0 34 30,-0.4 4,-1.6 -2,-0.2 3,-1.1 -0.591 31.5-109.8 -83.4 152.9 6.1 -16.9 21.9 54 130 A D H 3> S+ 0 0 98 1,-0.2 4,-2.9 -2,-0.2 5,-0.2 0.892 120.0 61.6 -44.4 -45.7 6.1 -19.4 24.8 55 131 A K H 3> S+ 0 0 123 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.834 104.5 49.1 -51.8 -38.3 2.6 -17.9 25.8 56 132 A D H <> S+ 0 0 13 -3,-1.1 4,-2.0 2,-0.2 -1,-0.2 0.918 110.3 47.3 -70.9 -40.9 1.3 -19.0 22.4 57 133 A I H X>S+ 0 0 13 -4,-1.6 5,-1.7 2,-0.2 4,-0.6 0.897 114.9 49.0 -69.0 -40.8 2.6 -22.6 22.6 58 134 A E H ><5S+ 0 0 152 -4,-2.9 3,-1.3 2,-0.2 -2,-0.2 0.950 109.1 50.9 -60.0 -53.3 1.2 -22.8 26.2 59 135 A Y H 3<5S+ 0 0 179 -4,-2.5 -2,-0.2 1,-0.3 -1,-0.2 0.895 112.7 47.8 -49.4 -46.6 -2.3 -21.4 25.1 60 136 A W H 3<5S- 0 0 72 -4,-2.0 -1,-0.3 -5,-0.2 -2,-0.2 0.556 104.8-129.6 -79.5 -7.0 -2.4 -24.1 22.3 61 137 A G T <<5 + 0 0 67 -3,-1.3 2,-0.3 -4,-0.6 -3,-0.2 0.764 48.7 161.8 66.1 29.5 -1.4 -26.9 24.6 62 138 A I < - 0 0 24 -5,-1.7 2,-1.3 1,-0.1 -1,-0.2 -0.611 42.8-135.0 -85.7 137.8 1.4 -28.1 22.1 63 139 A D > + 0 0 88 -32,-0.4 4,-1.5 -2,-0.3 3,-0.4 -0.746 30.2 175.6 -89.5 83.3 4.2 -30.4 23.4 64 140 A L H > S+ 0 0 26 -2,-1.3 4,-3.1 1,-0.2 5,-0.3 0.866 72.7 59.7 -61.8 -37.1 7.0 -28.5 21.8 65 141 A D H > S+ 0 0 121 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.871 106.5 47.0 -61.9 -37.1 9.7 -30.7 23.3 66 142 A S H > S+ 0 0 21 -3,-0.4 4,-1.7 2,-0.2 -1,-0.2 0.833 112.3 51.2 -72.4 -32.2 8.2 -33.8 21.5 67 143 A I H X S+ 0 0 5 -4,-1.5 4,-2.0 2,-0.2 -2,-0.2 0.941 112.9 44.4 -61.7 -55.1 8.0 -31.8 18.3 68 144 A V H X S+ 0 0 25 -4,-3.1 4,-2.5 1,-0.2 -2,-0.2 0.886 110.7 55.2 -60.2 -43.0 11.7 -30.7 18.6 69 145 A R H X S+ 0 0 132 -4,-2.5 4,-2.1 -5,-0.3 -1,-0.2 0.898 108.8 47.9 -55.9 -42.5 12.7 -34.3 19.6 70 146 A R H X S+ 0 0 70 -4,-1.7 4,-1.6 2,-0.2 6,-0.2 0.882 108.1 54.8 -70.0 -37.2 11.1 -35.7 16.4 71 147 A C H ><>S+ 0 0 1 -4,-2.0 5,-2.4 2,-0.2 3,-0.5 0.958 109.6 47.4 -53.9 -51.4 12.8 -33.0 14.3 72 148 A K H ><5S+ 0 0 158 -4,-2.5 3,-1.3 1,-0.2 -2,-0.2 0.908 108.7 54.8 -59.5 -42.7 16.2 -34.1 15.7 73 149 A E H 3<5S+ 0 0 114 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.821 112.8 43.1 -57.1 -35.8 15.4 -37.8 15.0 74 150 A L T <<5S- 0 0 36 -4,-1.6 -1,-0.3 -3,-0.5 -2,-0.2 0.340 118.4-108.6 -95.4 2.6 14.7 -37.0 11.4 75 151 A G T < 5S+ 0 0 66 -3,-1.3 2,-0.3 -4,-0.4 -3,-0.2 0.494 72.0 141.0 82.5 6.3 17.7 -34.7 10.9 76 152 A I < - 0 0 6 -5,-2.4 2,-0.5 -6,-0.2 -1,-0.3 -0.602 48.5-134.2 -81.8 138.4 15.6 -31.5 10.8 77 153 A R E -d 47 0A 129 -31,-2.2 -29,-2.5 -2,-0.3 2,-0.5 -0.856 16.1-154.8 -93.6 126.5 16.9 -28.3 12.5 78 154 A H E -d 48 0A 21 -2,-0.5 2,-0.4 -31,-0.2 -29,-0.2 -0.860 13.3-172.6-105.7 128.0 14.3 -26.5 14.6 79 155 A M E -d 49 0A 6 -31,-2.8 -29,-3.4 -2,-0.5 2,-0.5 -0.938 10.8-153.7-125.2 141.4 14.8 -22.8 15.1 80 156 A R E +d 50 0A 84 -2,-0.4 -29,-0.2 -31,-0.2 -31,-0.0 -0.966 22.5 160.7-120.7 126.4 12.9 -20.3 17.3 81 157 A R - 0 0 36 -31,-2.4 -28,-0.1 -2,-0.5 17,-0.1 -0.739 32.2-153.2-135.4 82.4 12.7 -16.5 16.6 82 158 A P + 0 0 55 0, 0.0 2,-0.3 0, 0.0 -30,-0.2 -0.310 20.0 170.8 -66.8 147.1 9.7 -15.4 18.7 83 159 A A - 0 0 4 -32,-1.9 -30,-0.4 10,-0.0 2,-0.2 -0.968 37.0 -99.0-145.7 154.5 7.5 -12.4 18.0 84 160 A K > - 0 0 94 -2,-0.3 3,-0.8 3,-0.2 7,-0.2 -0.465 40.2-110.7 -77.7 141.6 4.2 -11.2 19.5 85 161 A D T 3 S+ 0 0 69 1,-0.2 -1,-0.1 -2,-0.2 5,-0.1 -0.410 95.0 3.8 -70.2 145.4 0.9 -12.0 17.7 86 162 A F T 3 S+ 0 0 208 1,-0.1 -1,-0.2 -2,-0.1 -2,-0.0 0.862 100.6 122.1 47.6 47.7 -1.1 -9.1 16.1 87 163 A D <> - 0 0 52 -3,-0.8 4,-2.4 1,-0.1 3,-0.2 -0.809 41.3-175.1-143.6 91.1 1.8 -6.7 17.0 88 164 A P H > S+ 0 0 57 0, 0.0 4,-2.3 0, 0.0 5,-0.1 0.811 87.1 55.8 -61.0 -28.8 3.4 -4.8 14.1 89 165 A L H > S+ 0 0 119 2,-0.2 4,-2.2 1,-0.2 5,-0.1 0.919 109.7 45.9 -69.9 -40.5 6.0 -3.3 16.4 90 166 A S H > S+ 0 0 12 2,-0.2 4,-2.0 -3,-0.2 5,-0.2 0.943 112.9 49.2 -63.5 -46.3 7.1 -6.7 17.6 91 167 A L H X S+ 0 0 10 -4,-2.4 4,-1.8 1,-0.2 -2,-0.2 0.920 110.7 51.1 -61.8 -41.8 7.2 -8.1 14.1 92 168 A R H < S+ 0 0 29 -4,-2.3 3,-0.3 1,-0.2 -1,-0.2 0.934 111.5 47.6 -61.0 -42.9 9.3 -5.1 12.9 93 169 A S H < S+ 0 0 75 -4,-2.2 4,-0.3 1,-0.2 -1,-0.2 0.833 118.9 39.2 -68.1 -32.9 11.8 -5.5 15.8 94 170 A Q H X S+ 0 0 49 -4,-2.0 4,-2.5 1,-0.2 5,-0.2 0.596 90.8 91.1 -96.9 -10.2 12.2 -9.2 15.2 95 171 A L H X S+ 0 0 0 -4,-1.8 4,-3.2 -3,-0.3 5,-0.3 0.879 82.9 52.5 -56.7 -45.7 12.1 -9.3 11.4 96 172 A P H > S+ 0 0 15 0, 0.0 4,-2.1 0, 0.0 -1,-0.2 0.947 115.4 40.8 -60.2 -46.9 15.9 -9.0 10.8 97 173 A K H > S+ 0 0 71 -4,-0.3 4,-2.0 2,-0.2 -2,-0.2 0.896 115.8 50.2 -62.1 -44.7 16.8 -11.9 13.1 98 174 A A H X S+ 0 0 2 -4,-2.5 4,-2.2 1,-0.2 -1,-0.2 0.949 113.0 46.2 -62.9 -44.9 13.9 -14.0 11.9 99 175 A V H X S+ 0 0 0 -4,-3.2 4,-3.5 -5,-0.2 5,-0.3 0.881 107.7 58.5 -65.6 -33.2 14.9 -13.4 8.2 100 176 A S H X S+ 0 0 0 -4,-2.1 4,-2.1 -5,-0.3 -1,-0.2 0.921 108.5 45.2 -61.9 -43.9 18.5 -14.2 9.1 101 177 A S H X S+ 0 0 15 -4,-2.0 4,-2.3 2,-0.2 -1,-0.2 0.922 115.2 47.8 -64.3 -47.7 17.6 -17.6 10.3 102 178 A L H X S+ 0 0 0 -4,-2.2 4,-2.5 1,-0.2 -2,-0.2 0.953 113.9 45.3 -55.4 -52.4 15.3 -18.2 7.3 103 179 A E H X S+ 0 0 13 -4,-3.5 4,-2.4 1,-0.2 -1,-0.2 0.862 111.3 53.4 -67.9 -33.9 17.9 -17.1 4.8 104 180 A W H X S+ 0 0 67 -4,-2.1 4,-2.0 -5,-0.3 -1,-0.2 0.954 110.1 48.0 -60.1 -50.7 20.7 -19.1 6.5 105 181 A A H X S+ 0 0 0 -4,-2.3 4,-0.8 1,-0.2 5,-0.5 0.899 112.4 48.6 -60.6 -44.7 18.6 -22.3 6.3 106 182 A V H >< S+ 0 0 34 -4,-2.5 3,-0.8 1,-0.2 -1,-0.2 0.910 108.9 54.0 -58.7 -43.3 17.8 -21.6 2.6 107 183 A S H 3< S+ 0 0 58 -4,-2.4 -2,-0.2 1,-0.3 -1,-0.2 0.847 99.6 61.3 -64.4 -35.3 21.5 -21.0 1.9 108 184 A E H 3< S- 0 0 90 -4,-2.0 -1,-0.3 -5,-0.1 -2,-0.2 0.772 91.4-155.8 -59.7 -33.4 22.4 -24.4 3.4 109 185 A G << + 0 0 61 -4,-0.8 -3,-0.1 -3,-0.8 3,-0.1 0.661 49.3 129.0 72.7 18.4 20.3 -26.1 0.8 110 186 A K S S- 0 0 152 -5,-0.5 2,-0.3 1,-0.2 -1,-0.1 0.647 79.3 -49.4 -84.8 -13.6 19.4 -29.4 2.6 111 187 A G S S- 0 0 17 -6,-0.3 -1,-0.2 -5,-0.1 -66,-0.2 -0.963 81.9 -36.5 166.3-175.9 15.7 -29.1 2.0 112 188 A R E - c 0 45A 53 -68,-2.1 -66,-2.6 -69,-0.3 -65,-1.4 -0.304 50.0-129.8 -69.2 148.5 12.7 -26.8 2.3 113 189 A V E -bc 24 47A 0 -90,-2.3 -88,-2.9 -68,-0.2 2,-0.7 -0.916 13.3-151.0-100.4 127.4 12.3 -24.4 5.2 114 190 A Y E -bc 25 48A 0 -67,-2.8 -65,-3.0 -2,-0.5 2,-0.5 -0.907 13.4-167.8 -99.4 110.1 8.9 -24.5 7.0 115 191 A V E +bc 26 49A 0 -90,-3.0 -88,-2.2 -2,-0.7 2,-0.3 -0.863 19.7 156.9-102.9 123.3 8.1 -21.0 8.4 116 192 A H E +bc 27 50A 2 -67,-2.5 -65,-2.5 -2,-0.5 -88,-0.2 -0.956 27.5 179.7-145.3 158.3 5.2 -20.9 10.9 117 193 A C - 0 0 3 -90,-1.0 -88,-0.2 -2,-0.3 -65,-0.1 -0.364 68.0 -62.2-128.2-148.7 3.6 -19.0 13.8 118 194 A S S S+ 0 0 10 -90,-0.2 -89,-2.3 -2,-0.2 -66,-0.0 0.984 133.1 3.0 -64.2 -54.0 0.4 -20.1 15.5 119 195 A A S S- 0 0 14 -91,-0.3 -91,-0.2 -110,-0.1 -109,-0.1 0.583 90.2-124.6-105.7 -16.9 -1.8 -19.7 12.3 120 196 A G S S+ 0 0 0 -93,-0.1 -92,-0.1 -111,-0.0 -94,-0.0 0.870 83.1 108.8 70.7 31.8 0.8 -18.7 9.6 121 197 A L S S+ 0 0 33 32,-0.1 33,-1.5 33,-0.1 -93,-0.1 0.589 85.9 4.5-116.0 -20.9 -1.4 -15.7 8.9 122 198 A G S > S+ 0 0 28 31,-0.1 4,-2.2 33,-0.1 5,-0.1 0.521 129.4 32.6-125.0 -76.5 0.7 -12.7 10.2 123 199 A R H > S+ 0 0 18 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.880 120.2 47.2 -57.1 -53.2 4.2 -13.3 11.6 124 200 A A H > S+ 0 0 0 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.959 115.4 43.7 -67.5 -44.1 5.1 -16.2 9.3 125 201 A P H > S+ 0 0 0 0, 0.0 4,-2.8 0, 0.0 -1,-0.2 0.887 112.2 56.5 -62.0 -33.1 3.9 -14.6 6.0 126 202 A G H X S+ 0 0 0 -4,-2.2 4,-2.2 2,-0.2 -2,-0.2 0.928 108.9 44.5 -63.3 -49.4 5.6 -11.3 7.2 127 203 A V H X S+ 0 0 1 -4,-2.5 4,-2.4 1,-0.2 -1,-0.2 0.910 113.9 51.1 -59.6 -44.9 9.0 -12.9 7.6 128 204 A S H X S+ 0 0 0 -4,-2.3 4,-2.2 -5,-0.2 -2,-0.2 0.899 110.0 48.1 -61.7 -42.6 8.6 -14.7 4.3 129 205 A I H X S+ 0 0 0 -4,-2.8 4,-2.6 2,-0.2 -2,-0.2 0.923 110.8 51.4 -65.8 -39.1 7.7 -11.5 2.4 130 206 A A H X S+ 0 0 0 -4,-2.2 4,-3.0 1,-0.2 5,-0.3 0.919 109.6 51.0 -62.7 -44.9 10.7 -9.7 3.9 131 207 A Y H X S+ 0 0 12 -4,-2.4 4,-2.5 1,-0.2 5,-0.4 0.933 111.9 46.4 -56.5 -48.6 12.9 -12.5 2.8 132 208 A M H X S+ 0 0 0 -4,-2.2 4,-1.5 3,-0.2 6,-0.5 0.888 114.6 47.8 -61.9 -41.2 11.5 -12.3 -0.8 133 209 A Y H <>S+ 0 0 0 -4,-2.6 5,-0.6 2,-0.2 -2,-0.2 0.956 120.5 34.9 -64.8 -49.6 11.9 -8.6 -0.8 134 210 A W H <5S+ 0 0 0 -4,-3.0 -2,-0.2 -5,-0.2 63,-0.2 0.805 133.2 22.9 -79.6 -29.0 15.5 -8.5 0.5 135 211 A F H <5S+ 0 0 30 -4,-2.5 -3,-0.2 -5,-0.3 -2,-0.2 0.538 113.9 59.2-116.2 -12.5 16.9 -11.6 -1.0 136 212 A C T <5S- 0 0 22 -4,-1.5 -2,-0.1 -5,-0.4 -1,-0.1 0.022 100.7-110.2-117.5 29.7 14.9 -12.5 -4.1 137 213 A D T 5S+ 0 0 134 -4,-0.2 2,-0.3 1,-0.2 -4,-0.1 0.837 76.5 115.0 51.9 48.4 15.2 -9.3 -6.4 138 214 A M < - 0 0 30 -5,-0.6 -1,-0.2 -6,-0.5 -2,-0.1 -0.922 64.3-111.1-132.1 162.0 11.6 -8.0 -6.1 139 215 A N > - 0 0 55 -2,-0.3 4,-2.6 48,-0.1 48,-0.2 -0.375 40.1 -98.7 -86.0 176.6 10.1 -4.8 -4.7 140 216 A L H > S+ 0 0 0 46,-2.5 4,-2.9 1,-0.2 5,-0.2 0.880 120.8 51.4 -68.2 -39.6 7.9 -4.9 -1.6 141 217 A N H > S+ 0 0 57 45,-0.5 4,-2.8 2,-0.2 -1,-0.2 0.909 113.3 46.1 -68.1 -38.4 4.6 -4.8 -3.4 142 218 A T H > S+ 0 0 66 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.936 113.5 48.3 -64.5 -48.7 5.6 -7.7 -5.6 143 219 A A H X S+ 0 0 0 -4,-2.6 4,-1.8 1,-0.2 -2,-0.2 0.946 115.0 46.6 -55.4 -48.7 6.9 -9.7 -2.7 144 220 A Y H X S+ 0 0 40 -4,-2.9 4,-2.4 1,-0.2 5,-0.2 0.941 114.3 45.1 -59.2 -53.4 3.7 -9.0 -0.8 145 221 A D H X S+ 0 0 99 -4,-2.8 4,-2.3 1,-0.2 -1,-0.2 0.842 107.5 60.1 -65.4 -33.1 1.3 -9.8 -3.6 146 222 A T H X S+ 0 0 46 -4,-2.5 4,-0.7 -5,-0.2 -1,-0.2 0.914 111.9 37.7 -62.3 -44.5 3.2 -13.0 -4.5 147 223 A L H >X S+ 0 0 0 -4,-1.8 4,-2.4 -5,-0.2 3,-1.3 0.979 116.4 50.0 -71.3 -51.8 2.6 -14.5 -1.1 148 224 A V H 3< S+ 0 0 37 -4,-2.4 -2,-0.2 1,-0.3 -3,-0.2 0.830 104.1 59.8 -60.8 -30.8 -0.9 -13.2 -0.5 149 225 A S H 3< S+ 0 0 94 -4,-2.3 -1,-0.3 -5,-0.2 -2,-0.2 0.820 115.0 36.0 -61.4 -32.8 -2.0 -14.5 -3.9 150 226 A K H << S+ 0 0 101 -3,-1.3 -2,-0.2 -4,-0.7 -1,-0.2 0.814 130.0 27.2 -89.8 -37.9 -1.0 -18.0 -2.9 151 227 A R S < S- 0 0 10 -4,-2.4 -1,-0.3 -5,-0.1 2,-0.2 -0.929 80.9-137.5-130.4 105.5 -2.0 -18.0 0.8 152 228 A P + 0 0 72 0, 0.0 2,-0.3 0, 0.0 -3,-0.1 -0.439 52.9 121.5 -67.1 126.7 -4.8 -15.6 1.8 153 229 A C - 0 0 9 -2,-0.2 -31,-0.1 -5,-0.1 -32,-0.1 -0.955 62.2-108.0-169.8-177.9 -3.7 -13.9 5.0 154 230 A G + 0 0 58 -33,-1.5 -33,-0.1 -2,-0.3 2,-0.1 -0.378 35.8 171.9-133.0 58.6 -3.1 -10.5 6.5 155 231 A P - 0 0 3 0, 0.0 2,-0.7 0, 0.0 -33,-0.1 -0.401 42.1-108.2 -63.7 143.0 0.6 -9.8 7.1 156 232 A N > - 0 0 69 1,-0.2 4,-1.0 -2,-0.1 3,-0.3 -0.607 28.1-169.1 -76.0 110.6 1.5 -6.2 8.2 157 233 A K H > S+ 0 0 67 -2,-0.7 4,-2.5 1,-0.2 3,-0.3 0.877 84.6 60.5 -64.9 -38.9 3.2 -4.5 5.3 158 234 A G H > S+ 0 0 23 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.819 99.9 56.1 -57.0 -34.0 4.3 -1.5 7.4 159 235 A A H > S+ 0 0 2 -3,-0.3 4,-2.1 2,-0.2 -1,-0.2 0.886 110.0 45.0 -65.4 -40.4 6.3 -3.9 9.7 160 236 A I H X S+ 0 0 0 -4,-1.0 4,-1.9 -3,-0.3 -2,-0.2 0.906 113.2 49.4 -71.6 -44.1 8.3 -5.1 6.8 161 237 A R H X S+ 0 0 12 -4,-2.5 4,-2.2 2,-0.2 -2,-0.2 0.898 111.9 50.0 -58.8 -42.5 8.8 -1.6 5.4 162 238 A G H X S+ 0 0 0 -4,-2.5 4,-2.4 2,-0.2 -2,-0.2 0.877 108.8 50.5 -68.3 -38.5 9.9 -0.4 8.9 163 239 A A H X S+ 0 0 0 -4,-2.1 4,-2.4 2,-0.2 -1,-0.2 0.861 108.7 53.8 -63.9 -34.5 12.4 -3.3 9.2 164 240 A T H X S+ 0 0 0 -4,-1.9 4,-1.8 2,-0.2 -2,-0.2 0.929 109.6 47.0 -63.9 -48.0 13.7 -2.3 5.8 165 241 A Y H X S+ 0 0 3 -4,-2.2 4,-1.1 2,-0.2 -2,-0.2 0.925 111.5 52.7 -53.9 -46.0 14.2 1.3 7.0 166 242 A D H < S+ 0 0 57 -4,-2.4 3,-0.3 1,-0.2 -2,-0.2 0.915 113.1 42.2 -61.5 -43.7 15.9 -0.1 10.2 167 243 A L H < S+ 0 0 15 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.743 115.0 49.0 -78.2 -23.0 18.4 -2.2 8.2 168 244 A A H < S+ 0 0 8 -4,-1.8 -1,-0.2 -5,-0.2 -2,-0.2 0.611 87.2 117.4 -91.5 -6.7 19.2 0.5 5.6 169 245 A K < + 0 0 58 -4,-1.1 -3,-0.0 -3,-0.3 -4,-0.0 -0.363 28.3 164.7 -71.7 130.4 19.8 3.1 8.3 170 246 A N + 0 0 98 -2,-0.2 -1,-0.1 1,-0.2 3,-0.0 0.347 65.4 63.0-118.1 -2.5 23.2 4.7 8.6 171 247 A D > - 0 0 82 1,-0.1 3,-1.8 0, 0.0 -1,-0.2 -0.965 63.5-157.4-125.6 112.7 22.4 7.7 10.7 172 248 A P T 3 S+ 0 0 95 0, 0.0 -1,-0.1 0, 0.0 -3,-0.0 0.700 97.0 54.0 -64.1 -14.5 21.0 7.0 14.2 173 249 A W T 3 S+ 0 0 224 -3,-0.0 2,-0.1 3,-0.0 0, 0.0 -0.004 76.8 132.6-106.8 27.3 19.4 10.5 14.1 174 250 A K S < S- 0 0 64 -3,-1.8 3,-0.1 1,-0.1 -5,-0.0 -0.394 74.0 -87.1 -63.8 148.2 17.5 10.0 10.9 175 251 A E - 0 0 102 1,-0.1 -1,-0.1 2,-0.1 5,-0.1 -0.338 61.4 -91.2 -53.4 144.1 13.9 11.2 11.1 176 252 A P > - 0 0 60 0, 0.0 3,-1.6 0, 0.0 4,-0.4 -0.239 23.1-119.3 -62.9 153.3 11.8 8.3 12.4 177 253 A F G > S+ 0 0 17 1,-0.3 3,-1.8 2,-0.2 7,-0.1 0.842 110.9 66.1 -55.6 -37.3 10.1 5.7 10.1 178 254 A E G 3 S+ 0 0 125 1,-0.3 -1,-0.3 -16,-0.0 -3,-0.0 0.611 95.1 56.7 -67.0 -16.6 6.7 6.8 11.5 179 255 A S G < S+ 0 0 93 -3,-1.6 -1,-0.3 2,-0.1 -2,-0.2 0.578 91.5 91.4 -87.3 -13.4 7.1 10.3 10.0 180 256 A L S < S- 0 0 37 -3,-1.8 -3,-0.0 -4,-0.4 0, 0.0 -0.533 80.0-109.5 -87.2 147.4 7.5 8.9 6.4 181 257 A P > - 0 0 76 0, 0.0 3,-1.7 0, 0.0 -1,-0.1 -0.265 40.3 -92.6 -69.8 166.4 4.6 8.3 3.9 182 258 A E T 3 S+ 0 0 149 1,-0.3 -2,-0.1 3,-0.0 -21,-0.0 0.744 121.2 60.0 -51.5 -29.4 3.4 4.8 2.9 183 259 A N T > S+ 0 0 96 2,-0.1 3,-1.8 3,-0.1 4,-0.3 0.703 73.5 112.0 -78.8 -20.9 5.8 4.7 -0.1 184 260 A A T < S+ 0 0 19 -3,-1.7 -19,-0.1 1,-0.3 -4,-0.0 -0.333 92.1 1.9 -57.0 131.9 9.2 5.1 1.7 185 261 A F T 3 S+ 0 0 32 2,-0.2 -1,-0.3 1,-0.1 -21,-0.1 0.658 88.7 123.0 60.3 25.4 11.3 1.9 1.5 186 262 A E S < S+ 0 0 69 -3,-1.8 -46,-2.5 1,-0.1 -45,-0.5 0.625 86.6 24.1 -87.2 -15.6 8.8 0.0 -0.7 187 263 A D S S- 0 0 88 -4,-0.3 2,-0.3 -48,-0.2 -2,-0.2 -0.931 79.0-154.7-132.8 163.8 11.7 -0.3 -3.1 188 264 A I - 0 0 10 -2,-0.3 2,-0.0 -3,-0.1 -24,-0.0 -0.983 20.0-115.4-135.2 143.6 15.4 -0.2 -2.3 189 265 A A > - 0 0 44 -2,-0.3 4,-2.5 1,-0.1 3,-0.2 -0.319 38.4-102.0 -71.7 162.8 18.3 0.8 -4.5 190 266 A D H > S+ 0 0 129 1,-0.2 4,-1.9 2,-0.2 5,-0.1 0.869 122.2 50.5 -58.2 -37.8 20.9 -1.9 -5.4 191 267 A W H > S+ 0 0 159 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.866 111.0 49.0 -69.3 -38.1 23.4 -0.5 -2.8 192 268 A E H > S+ 0 0 39 -3,-0.2 4,-2.7 2,-0.2 -2,-0.2 0.891 109.1 52.6 -63.7 -42.7 20.8 -0.5 -0.1 193 269 A R H X S+ 0 0 20 -4,-2.5 4,-2.3 1,-0.2 -2,-0.2 0.904 110.3 48.3 -60.7 -40.6 19.8 -4.1 -0.9 194 270 A K H X S+ 0 0 105 -4,-1.9 4,-2.0 -5,-0.2 -1,-0.2 0.904 111.2 50.4 -66.1 -42.1 23.4 -5.2 -0.6 195 271 A L H X S+ 0 0 36 -4,-1.9 4,-2.4 2,-0.2 -2,-0.2 0.945 111.4 48.5 -60.3 -48.6 23.7 -3.4 2.7 196 272 A I H X S+ 0 0 0 -4,-2.7 4,-2.8 1,-0.2 5,-0.2 0.912 109.4 51.9 -58.5 -47.5 20.5 -5.1 4.0 197 273 A Q H X S+ 0 0 36 -4,-2.3 4,-2.3 1,-0.2 -1,-0.2 0.899 111.6 47.4 -59.6 -41.5 21.7 -8.6 2.9 198 274 A E H X S+ 0 0 116 -4,-2.0 4,-1.8 2,-0.2 -1,-0.2 0.910 113.0 47.6 -67.7 -40.7 25.0 -8.1 4.7 199 275 A R H X S+ 0 0 81 -4,-2.4 4,-0.6 2,-0.2 -2,-0.2 0.883 112.2 49.9 -67.3 -38.8 23.4 -6.9 7.9 200 276 A V H >< S+ 0 0 0 -4,-2.8 3,-1.4 1,-0.2 4,-0.2 0.938 111.8 47.9 -64.0 -46.9 20.9 -9.7 7.9 201 277 A R H >< S+ 0 0 91 -4,-2.3 3,-1.6 1,-0.3 -1,-0.2 0.841 102.8 63.4 -64.8 -29.7 23.6 -12.3 7.4 202 278 A A H 3< S+ 0 0 73 -4,-1.8 -1,-0.3 1,-0.3 -2,-0.2 0.698 95.3 60.8 -66.9 -16.2 25.6 -10.7 10.2 203 279 A L T X< S+ 0 0 46 -3,-1.4 3,-1.7 -4,-0.6 2,-0.3 0.504 72.5 126.2 -88.2 -6.1 22.8 -11.6 12.6 204 280 A R T < S+ 0 0 91 -3,-1.6 -107,-0.0 1,-0.3 -103,-0.0 -0.409 85.4 4.5 -54.3 114.1 23.2 -15.4 11.9 205 281 A G T 3 0 0 82 -2,-0.3 -1,-0.3 -108,-0.1 -2,-0.0 0.841 360.0 360.0 74.2 35.4 23.7 -16.9 15.3 206 282 A T < 0 0 112 -3,-1.7 -2,-0.1 -109,-0.1 -3,-0.1 0.559 360.0 360.0-104.4 360.0 23.2 -13.8 17.4