==== 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 20-DEC-04 1YBH . COMPND 2 MOLECULE: ACETOLACTATE SYNTHASE, CHLOROPLAST; . SOURCE 2 ORGANISM_SCIENTIFIC: ARABIDOPSIS THALIANA; . AUTHOR J.A.MCCOURT,S.S.PANG,J.KING-SCOTT,L.W.GUDDAT,R.G.DUGGLEBY . 582 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 23246.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 417 71.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 78 13.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 9 1.5 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.2 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 . 56 9.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 71 12.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 175 30.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 1.2 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 2 2 2 1 2 3 3 0 4 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 3 2 4 3 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 PARALLEL BRIDGES PER LADDER . 3 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 0 0 ANTIPARALLEL BRIDGES PER LADDER . 2 0 0 1 2 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 86 A T 0 0 162 0, 0.0 2,-0.4 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -51.6 78.8 100.7 45.1 2 87 A F - 0 0 77 1,-0.0 2,-0.7 22,-0.0 22,-0.1 -0.597 360.0-142.0 -76.0 126.4 78.3 98.3 42.1 3 88 A I - 0 0 81 -2,-0.4 2,-0.1 2,-0.0 -1,-0.0 -0.851 13.9-155.4 -99.3 117.7 80.7 99.0 39.3 4 89 A S - 0 0 42 -2,-0.7 3,-0.0 2,-0.2 -1,-0.0 -0.179 17.7-138.8 -79.8 169.5 79.3 98.6 35.8 5 90 A R S S+ 0 0 81 2,-0.1 2,-0.3 -2,-0.1 -1,-0.1 0.327 85.4 65.3-107.3 2.1 81.3 97.9 32.7 6 91 A F S S- 0 0 40 6,-0.0 -2,-0.2 4,-0.0 6,-0.1 -0.915 91.4-101.9-126.1 152.4 79.2 100.3 30.7 7 92 A A > - 0 0 35 -2,-0.3 3,-2.5 1,-0.1 -2,-0.1 -0.445 34.9-116.7 -69.7 143.0 78.7 104.1 30.9 8 93 A P T 3 S+ 0 0 126 0, 0.0 -1,-0.1 0, 0.0 171,-0.0 0.595 119.7 37.5 -56.8 -8.8 75.4 105.1 32.5 9 94 A D T 3 S+ 0 0 119 2,-0.1 -2,-0.1 170,-0.0 170,-0.0 0.286 92.8 108.9-123.9 4.3 74.5 106.6 29.1 10 95 A Q < - 0 0 89 -3,-2.5 2,-0.2 168,-0.0 168,-0.1 -0.750 63.7-136.0 -90.7 121.3 76.0 103.9 26.9 11 96 A P + 0 0 72 0, 0.0 2,-0.3 0, 0.0 168,-0.2 -0.489 31.9 168.9 -74.1 143.5 73.5 101.6 25.1 12 97 A R E -A 178 0A 11 166,-2.3 166,-1.8 -2,-0.2 5,-0.1 -0.961 37.8 -68.1-149.6 166.9 74.3 97.9 25.1 13 98 A K E > -A 177 0A 63 -2,-0.3 4,-1.8 164,-0.2 164,-0.2 -0.121 37.1-123.6 -56.5 149.3 72.8 94.5 24.3 14 99 A G H > S+ 0 0 1 162,-1.0 4,-2.6 159,-0.4 160,-0.2 0.849 114.5 61.5 -61.7 -32.7 69.9 93.1 26.3 15 100 A A H > S+ 0 0 0 159,-2.7 4,-2.4 1,-0.2 -1,-0.2 0.923 105.4 45.5 -58.7 -45.2 72.1 90.1 26.9 16 101 A D H > S+ 0 0 6 158,-0.3 4,-2.2 1,-0.2 -1,-0.2 0.815 111.0 53.3 -67.9 -31.5 74.7 92.4 28.6 17 102 A I H X S+ 0 0 2 -4,-1.8 4,-1.9 2,-0.2 -2,-0.2 0.882 109.5 49.3 -70.5 -36.1 71.9 94.0 30.6 18 103 A L H X S+ 0 0 2 -4,-2.6 4,-1.5 2,-0.2 -2,-0.2 0.935 110.8 48.4 -67.7 -47.0 70.8 90.6 31.7 19 104 A V H X S+ 0 0 0 -4,-2.4 4,-2.2 1,-0.2 3,-0.4 0.923 113.5 47.1 -60.8 -42.7 74.3 89.5 32.8 20 105 A E H X S+ 0 0 0 -4,-2.2 4,-3.1 1,-0.2 -1,-0.2 0.871 105.5 60.3 -66.0 -34.2 74.7 92.8 34.7 21 106 A A H < S+ 0 0 4 -4,-1.9 4,-0.4 1,-0.2 -1,-0.2 0.858 107.7 45.9 -59.4 -34.0 71.3 92.3 36.3 22 107 A L H ><>S+ 0 0 0 -4,-1.5 5,-2.1 -3,-0.4 3,-1.0 0.921 110.3 51.5 -74.3 -45.6 72.7 89.0 37.7 23 108 A E H ><5S+ 0 0 13 -4,-2.2 3,-1.8 1,-0.3 -2,-0.2 0.915 107.8 53.6 -57.2 -43.4 75.9 90.7 38.9 24 109 A R T 3<5S+ 0 0 92 -4,-3.1 -1,-0.3 1,-0.3 -2,-0.2 0.706 104.3 56.3 -65.2 -18.9 73.8 93.3 40.7 25 110 A Q T < 5S- 0 0 78 -3,-1.0 -1,-0.3 -4,-0.4 -2,-0.2 0.485 122.9-107.8 -89.5 -3.5 72.0 90.5 42.4 26 111 A G T < 5 + 0 0 52 -3,-1.8 -3,-0.2 -4,-0.4 2,-0.2 0.571 61.6 161.9 89.8 9.9 75.2 89.2 43.7 27 112 A V < + 0 0 13 -5,-2.1 -1,-0.3 1,-0.2 3,-0.1 -0.431 12.8 164.9 -66.7 133.7 75.4 86.1 41.4 28 113 A E + 0 0 112 1,-0.3 24,-3.1 -2,-0.2 2,-0.4 0.519 62.9 41.5-122.2 -18.1 78.9 84.6 41.2 29 114 A T E +b 52 0B 11 22,-0.2 49,-0.4 24,-0.0 2,-0.3 -0.995 55.1 172.4-139.6 136.8 78.1 81.3 39.6 30 115 A V E -b 53 0B 0 22,-2.1 24,-2.2 -2,-0.4 2,-0.6 -0.922 25.9-138.3-134.6 159.5 75.8 80.0 36.9 31 116 A F E +c 79 0C 2 47,-2.0 49,-2.3 -2,-0.3 2,-0.4 -0.927 37.8 166.4-121.5 102.6 75.4 76.6 35.2 32 117 A A E -c 80 0C 0 -2,-0.6 49,-0.2 22,-0.4 -2,-0.1 -0.973 28.8-165.8-131.7 132.4 74.9 77.2 31.5 33 118 A Y - 0 0 86 47,-1.4 49,-0.5 -2,-0.4 24,-0.1 -0.953 33.5-124.6-112.0 114.6 75.0 75.0 28.4 34 119 A P + 0 0 62 0, 0.0 2,-0.3 0, 0.0 48,-0.1 -0.221 36.2 163.0 -62.8 146.4 75.2 77.1 25.2 35 120 A G >> - 0 0 17 46,-0.1 3,-1.5 1,-0.0 4,-0.8 -0.943 51.9 -90.3-154.0 166.5 72.7 76.8 22.3 36 121 A G G >4 S+ 0 0 37 -2,-0.3 3,-0.7 1,-0.3 4,-0.3 0.861 122.5 48.6 -51.3 -44.6 71.7 78.9 19.3 37 122 A A G 34 S+ 0 0 7 1,-0.2 73,-0.5 72,-0.1 -1,-0.3 0.587 118.3 40.5 -76.1 -9.6 69.0 80.9 21.1 38 123 A S G <> S+ 0 0 0 -3,-1.5 4,-2.0 71,-0.2 3,-0.3 0.321 78.3 108.6-120.0 7.5 71.2 81.7 24.0 39 124 A M H S+ 0 0 28 -4,-0.3 4,-2.6 1,-0.2 -1,-0.2 0.927 107.1 50.7 -58.3 -44.8 74.2 86.2 23.0 41 126 A I H > S+ 0 0 0 -3,-0.3 4,-1.6 1,-0.2 -1,-0.2 0.909 111.2 48.4 -61.1 -40.5 73.8 85.5 26.7 42 127 A H H X S+ 0 0 23 -4,-2.0 4,-1.6 2,-0.2 -1,-0.2 0.908 109.9 51.7 -66.6 -40.6 76.9 83.3 26.7 43 128 A Q H X S+ 0 0 98 -4,-2.7 4,-0.6 1,-0.2 3,-0.4 0.938 110.8 47.9 -60.2 -46.5 78.9 85.9 24.8 44 129 A A H >X S+ 0 0 0 -4,-2.6 3,-0.7 1,-0.2 4,-0.5 0.815 105.7 61.1 -63.4 -30.1 77.9 88.6 27.4 45 130 A L H >< S+ 0 0 12 -4,-1.6 3,-1.3 1,-0.2 -1,-0.2 0.893 97.9 55.7 -65.1 -39.7 78.8 86.1 30.1 46 131 A T H 3< S+ 0 0 110 -4,-1.6 -1,-0.2 -3,-0.4 -2,-0.2 0.669 102.0 58.2 -68.7 -15.2 82.5 85.9 29.0 47 132 A R H << S+ 0 0 96 -3,-0.7 -1,-0.3 -4,-0.6 2,-0.2 0.620 88.9 91.3 -87.3 -13.9 82.7 89.7 29.4 48 133 A S << - 0 0 13 -3,-1.3 -28,-0.0 -4,-0.5 -32,-0.0 -0.592 54.1-172.4 -79.9 142.7 81.8 89.4 33.0 49 134 A S S S+ 0 0 117 -2,-0.2 -1,-0.1 3,-0.1 -3,-0.0 0.515 82.2 51.5-111.0 -9.6 84.7 89.1 35.4 50 135 A S S S+ 0 0 64 1,-0.1 2,-0.5 -23,-0.0 -2,-0.0 0.646 97.1 72.1-100.4 -18.3 82.7 88.3 38.5 51 136 A I - 0 0 14 -6,-0.2 2,-0.4 -22,-0.1 -22,-0.2 -0.880 62.7-162.5-106.2 125.5 80.5 85.5 37.2 52 137 A R E -b 29 0B 107 -24,-3.1 -22,-2.1 -2,-0.5 2,-0.5 -0.808 8.8-145.1-103.5 143.5 81.9 82.1 36.5 53 138 A N E -b 30 0B 51 -2,-0.4 2,-0.7 -24,-0.2 -22,-0.2 -0.919 3.9-157.2-111.4 132.2 80.2 79.5 34.4 54 139 A V - 0 0 1 -24,-2.2 -22,-0.4 -2,-0.5 411,-0.1 -0.923 17.8-147.7-105.3 107.1 80.3 75.8 35.1 55 140 A L - 0 0 61 -2,-0.7 -22,-0.1 -24,-0.2 414,-0.1 -0.669 15.5-160.7 -78.4 109.7 79.5 74.1 31.7 56 141 A P - 0 0 4 0, 0.0 3,-0.1 0, 0.0 406,-0.1 -0.183 23.6-124.7 -79.4-178.6 77.6 70.8 32.4 57 142 A R S S+ 0 0 87 1,-0.3 2,-0.3 402,-0.1 405,-0.1 0.466 95.2 25.8-105.0 -4.8 77.3 68.0 29.9 58 143 A H S >> S- 0 0 66 1,-0.1 4,-1.8 401,-0.1 3,-1.4 -0.956 77.7-123.6-157.1 138.4 73.5 67.9 30.0 59 144 A E H 3> S+ 0 0 24 -2,-0.3 4,-2.3 1,-0.3 5,-0.2 0.794 114.7 57.4 -52.9 -33.8 71.0 70.7 30.9 60 145 A Q H 3> S+ 0 0 38 2,-0.2 4,-2.2 1,-0.2 -1,-0.3 0.830 104.0 52.4 -68.2 -31.0 69.5 68.4 33.6 61 146 A G H <> S+ 0 0 1 -3,-1.4 4,-2.5 2,-0.2 -2,-0.2 0.902 107.2 55.4 -67.7 -39.0 73.0 68.3 35.1 62 147 A G H X S+ 0 0 3 -4,-1.8 4,-2.4 2,-0.2 -2,-0.2 0.954 110.8 40.9 -57.2 -55.8 72.9 72.1 34.9 63 148 A V H X S+ 0 0 0 -4,-2.3 4,-2.6 1,-0.2 -2,-0.2 0.941 115.8 49.3 -59.5 -51.9 69.6 72.4 37.0 64 149 A F H X S+ 0 0 1 -4,-2.2 4,-2.7 1,-0.2 -1,-0.2 0.875 111.5 50.4 -57.1 -37.9 70.5 69.7 39.5 65 150 A A H X S+ 0 0 2 -4,-2.5 4,-2.9 2,-0.2 -1,-0.2 0.937 109.8 50.5 -64.9 -44.1 74.0 71.4 40.0 66 151 A A H X S+ 0 0 0 -4,-2.4 4,-2.6 1,-0.2 -2,-0.2 0.881 111.0 49.7 -59.8 -38.2 72.2 74.7 40.5 67 152 A E H X S+ 0 0 0 -4,-2.6 4,-4.0 2,-0.2 5,-0.3 0.941 110.0 49.4 -64.8 -48.2 70.0 73.0 43.1 68 153 A G H X S+ 0 0 0 -4,-2.7 4,-2.1 1,-0.2 -2,-0.2 0.911 111.1 51.2 -55.7 -43.9 73.0 71.5 44.8 69 154 A Y H X S+ 0 0 7 -4,-2.9 4,-0.9 2,-0.2 6,-0.4 0.955 115.7 40.8 -56.8 -54.4 74.5 75.0 44.8 70 155 A A H >X S+ 0 0 0 -4,-2.6 4,-3.2 1,-0.2 3,-1.0 0.947 114.5 50.8 -60.7 -53.3 71.3 76.5 46.3 71 156 A R H 3< S+ 0 0 20 -4,-4.0 -1,-0.2 1,-0.2 -2,-0.2 0.799 114.7 44.0 -57.5 -32.3 70.7 73.6 48.8 72 157 A S H 3< S+ 0 0 7 -4,-2.1 -1,-0.2 -5,-0.3 -2,-0.2 0.569 125.7 28.8 -92.5 -8.0 74.2 73.7 50.2 73 158 A S H << S- 0 0 35 -3,-1.0 -2,-0.2 -4,-0.9 -3,-0.2 0.655 91.4-123.2-123.0 -28.0 74.5 77.5 50.4 74 159 A G S < S+ 0 0 38 -4,-3.2 -4,-0.1 1,-0.4 -3,-0.1 0.533 77.8 113.5 90.0 4.4 71.2 79.1 51.0 75 160 A K S S- 0 0 81 -6,-0.4 -1,-0.4 -5,-0.4 -2,-0.2 -0.638 78.9 -91.7-102.3 162.9 71.7 81.2 47.9 76 161 A P - 0 0 27 0, 0.0 2,-0.4 0, 0.0 28,-0.2 -0.521 37.4-129.2 -76.2 149.1 69.6 80.9 44.8 77 162 A G E - d 0 104C 0 26,-1.8 28,-2.6 -2,-0.2 2,-0.5 -0.803 20.5-153.1 -95.8 138.6 70.9 78.5 42.1 78 163 A I E + d 0 105C 3 -2,-0.4 -47,-2.0 -49,-0.4 2,-0.4 -0.941 17.8 170.8-119.9 121.7 71.2 79.8 38.6 79 164 A C E -cd 31 106C 1 26,-1.5 28,-2.6 -2,-0.5 2,-0.4 -0.941 12.0-162.1-125.0 148.7 71.0 77.8 35.5 80 165 A I E +cd 32 107C 4 -49,-2.3 -47,-1.4 -2,-0.4 2,-0.3 -0.989 11.9 174.2-130.9 137.9 70.8 79.0 31.9 81 166 A A E - d 0 108C 0 26,-2.5 28,-2.5 -2,-0.4 -46,-0.1 -0.942 29.0-112.3-140.3 161.3 69.7 77.0 28.8 82 167 A T > - 0 0 8 -49,-0.5 5,-0.7 -2,-0.3 -46,-0.0 -0.184 51.6 -74.8 -81.6-176.9 69.0 77.6 25.2 83 168 A S T > 5S+ 0 0 2 3,-0.2 3,-2.3 25,-0.1 -1,-0.2 -0.052 92.9 0.4 -73.8 178.1 65.5 77.3 23.6 84 169 A G T 3>5S+ 0 0 2 1,-0.3 4,-3.0 40,-0.2 5,-0.3 -0.174 135.6 19.0 48.8-113.2 63.5 74.2 22.8 85 170 A P H 3>5S+ 0 0 62 0, 0.0 4,-1.4 0, 0.0 -1,-0.3 0.803 126.5 56.8 -58.1 -29.9 65.4 71.0 23.8 86 171 A G H <45S+ 0 0 0 -3,-2.3 3,-0.3 2,-0.2 -3,-0.2 0.985 112.1 40.7 -64.0 -54.8 67.6 73.0 26.1 87 172 A A H >>< S+ 0 0 55 -4,-3.0 3,-0.8 1,-0.3 4,-0.3 0.826 99.6 65.2 -60.6 -27.9 62.6 71.1 28.1 89 174 A N T 3< S+ 0 0 55 -4,-1.4 -1,-0.3 -3,-0.3 4,-0.2 0.578 96.2 58.8 -70.4 -6.6 65.7 69.4 29.5 90 175 A L T X> S+ 0 0 2 -3,-2.1 4,-1.8 -4,-0.2 3,-1.4 0.738 78.2 95.1 -90.2 -26.4 65.3 71.6 32.6 91 176 A V H S+ 0 0 52 -4,-0.3 4,-2.0 1,-0.2 -1,-0.3 0.870 112.6 50.8 -56.8 -37.0 62.7 67.7 36.0 93 178 A G H <> S+ 0 0 0 -3,-1.4 4,-2.7 -4,-0.2 -1,-0.2 0.920 109.9 49.0 -66.7 -43.7 64.9 70.1 37.8 94 179 A L H X S+ 0 0 0 -4,-1.8 4,-2.2 2,-0.2 -2,-0.2 0.944 113.3 45.8 -60.8 -48.8 62.3 72.8 38.0 95 180 A A H X S+ 0 0 16 -4,-2.6 4,-2.3 1,-0.2 -1,-0.2 0.882 112.8 52.6 -62.3 -37.0 59.6 70.4 39.3 96 181 A D H X S+ 0 0 0 -4,-2.0 4,-1.9 -5,-0.3 -2,-0.2 0.932 110.0 46.9 -64.1 -46.4 62.2 69.1 41.8 97 182 A A H X>S+ 0 0 0 -4,-2.7 5,-2.7 1,-0.2 4,-0.8 0.841 111.8 51.6 -65.7 -33.9 63.0 72.6 43.1 98 183 A L H <5S+ 0 0 55 -4,-2.2 3,-0.4 35,-0.3 -2,-0.2 0.937 110.3 47.4 -70.4 -44.2 59.3 73.5 43.4 99 184 A L H <5S+ 0 0 67 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.855 120.0 37.7 -66.6 -34.4 58.5 70.4 45.4 100 185 A D H <5S- 0 0 15 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.2 0.492 110.2-120.4 -95.5 -1.1 61.4 70.8 47.8 101 186 A S T <5 + 0 0 31 -4,-0.8 -3,-0.2 -3,-0.4 62,-0.2 0.949 49.3 167.9 62.8 54.2 61.1 74.6 47.9 102 187 A V < - 0 0 6 -5,-2.7 2,-0.3 -6,-0.1 -1,-0.2 -0.859 39.0-120.2-101.1 124.8 64.6 75.3 46.6 103 188 A P + 0 0 20 0, 0.0 -26,-1.8 0, 0.0 2,-0.3 -0.470 50.2 156.9 -65.0 125.7 65.3 78.9 45.5 104 189 A L E -de 77 164C 0 59,-1.5 61,-2.6 -2,-0.3 2,-0.5 -0.972 33.8-158.9-157.1 136.5 66.3 78.8 41.9 105 190 A V E -de 78 165C 0 -28,-2.6 -26,-1.5 -2,-0.3 2,-0.5 -0.964 14.5-169.9-118.7 116.5 66.3 81.1 38.9 106 191 A A E -de 79 166C 0 59,-2.5 61,-3.0 -2,-0.5 2,-0.5 -0.913 2.3-164.8-109.1 129.4 66.3 79.5 35.5 107 192 A I E -de 80 167C 0 -28,-2.6 -26,-2.5 -2,-0.5 2,-0.4 -0.951 7.7-173.8-115.5 124.9 67.0 81.5 32.3 108 193 A T E -de 81 168C 0 59,-2.1 61,-2.8 -2,-0.5 -26,-0.2 -0.941 21.8-128.6-121.5 140.3 66.1 80.1 28.9 109 194 A G E - e 0 169C 0 -28,-2.5 2,-0.3 -2,-0.4 -71,-0.2 -0.479 29.4-166.4 -76.7 156.9 66.8 81.5 25.5 110 195 A Q E - e 0 170C 6 59,-1.7 61,-1.9 -73,-0.5 3,-0.1 -0.947 27.7 -91.2-141.5 159.3 63.8 81.7 23.2 111 196 A V - 0 0 10 -2,-0.3 5,-0.1 59,-0.2 61,-0.1 -0.186 67.2 -69.8 -64.3 165.9 63.3 82.2 19.5 112 197 A P >> - 0 0 40 0, 0.0 3,-1.7 0, 0.0 4,-0.8 -0.253 49.4-111.8 -57.3 148.5 62.8 85.8 18.4 113 198 A R G >4 S+ 0 0 88 1,-0.3 3,-1.7 2,-0.2 -2,-0.1 0.894 116.4 55.8 -48.3 -51.9 59.4 87.3 19.4 114 199 A R G 34 S+ 0 0 217 1,-0.3 -1,-0.3 3,-0.0 -3,-0.0 0.729 107.6 52.8 -56.1 -21.9 58.0 87.5 15.9 115 200 A M G X4>S+ 0 0 66 -3,-1.7 3,-1.9 2,-0.1 5,-0.5 0.622 81.2 115.0 -89.4 -16.7 58.7 83.8 15.6 116 201 A I T <<5S+ 0 0 54 -3,-1.7 -3,-0.0 -4,-0.8 -6,-0.0 -0.277 81.6 15.7 -58.8 137.5 56.9 82.7 18.7 117 202 A G T 3 5S+ 0 0 63 1,-0.1 -1,-0.3 3,-0.1 -2,-0.1 0.490 98.6 100.7 78.3 3.9 53.9 80.5 18.1 118 203 A T T < 5S- 0 0 71 -3,-1.9 -2,-0.1 3,-0.0 -1,-0.1 0.299 99.9-106.8-102.5 10.8 55.0 79.7 14.5 119 204 A D T 5 - 0 0 160 -4,-0.1 3,-0.1 1,-0.1 -3,-0.1 0.906 61.0-176.6 64.9 39.3 56.4 76.3 15.2 120 205 A A > < - 0 0 18 -5,-0.5 3,-1.7 1,-0.2 2,-0.1 -0.050 35.6 -67.1 -65.7 168.8 59.9 77.8 14.7 121 206 A F T 3 S- 0 0 174 1,-0.3 -1,-0.2 -3,-0.0 -37,-0.1 -0.376 119.0 -6.6 -60.0 127.2 63.2 76.1 14.8 122 207 A Q T 3 S+ 0 0 69 1,-0.2 2,-0.4 -2,-0.1 -1,-0.3 0.818 97.5 152.0 53.2 36.5 63.9 74.9 18.3 123 208 A E < + 0 0 37 -3,-1.7 -1,-0.2 -40,-0.2 -13,-0.1 -0.792 17.5 170.8 -99.7 140.7 60.8 76.6 19.7 124 209 A T - 0 0 27 -2,-0.4 2,-3.1 -40,-0.1 3,-0.3 -0.985 41.9-123.3-146.0 134.8 59.0 75.3 22.8 125 210 A P >> + 0 0 80 0, 0.0 4,-2.6 0, 0.0 3,-0.6 -0.355 48.0 163.9 -75.7 64.0 56.2 77.0 24.7 126 211 A I H 3> + 0 0 1 -2,-3.1 4,-2.6 1,-0.3 5,-0.2 0.820 67.1 55.1 -55.4 -37.0 58.4 76.7 27.8 127 212 A V H 3> S+ 0 0 23 -3,-0.3 4,-0.7 2,-0.2 -1,-0.3 0.896 112.2 44.0 -65.5 -37.7 56.4 79.2 29.8 128 213 A E H <4 S+ 0 0 120 -3,-0.6 3,-0.5 2,-0.2 4,-0.4 0.919 114.8 49.9 -70.8 -42.8 53.2 77.3 29.1 129 214 A V H < S+ 0 0 67 -4,-2.6 3,-0.4 1,-0.2 -2,-0.2 0.880 116.3 39.8 -62.3 -41.8 54.9 73.9 29.9 130 215 A T H >< S+ 0 0 0 -4,-2.6 3,-1.6 -5,-0.2 4,-0.2 0.471 83.5 99.5 -91.9 -1.3 56.5 75.0 33.2 131 216 A R G >< S+ 0 0 127 -4,-0.7 3,-0.7 -3,-0.5 -1,-0.2 0.857 87.7 44.2 -54.6 -38.8 53.6 77.1 34.6 132 217 A S G 3 S+ 0 0 105 -3,-0.4 -1,-0.3 -4,-0.4 -2,-0.1 0.517 116.8 46.9 -85.5 -4.2 52.5 74.2 36.9 133 218 A I G < S+ 0 0 34 -3,-1.6 -35,-0.3 -4,-0.1 2,-0.3 0.072 102.5 65.7-124.4 24.4 56.0 73.3 38.0 134 219 A T S < S- 0 0 9 -3,-0.7 31,-0.2 -4,-0.2 3,-0.1 -0.928 78.7-123.7-137.1 161.3 57.5 76.7 38.9 135 220 A K S S- 0 0 55 29,-3.4 2,-0.3 1,-0.4 30,-0.2 0.879 93.6 -31.9 -71.2 -35.9 56.8 79.3 41.6 136 221 A H E -f 165 0C 79 28,-1.0 30,-1.4 -3,-0.1 -1,-0.4 -0.942 65.5-161.2-171.0 162.2 56.3 81.8 38.8 137 222 A N E -f 166 0C 15 -2,-0.3 2,-0.3 28,-0.2 30,-0.2 -0.966 3.3-150.1-152.0 167.3 57.7 82.4 35.3 138 223 A Y E -f 167 0C 23 28,-2.2 30,-3.2 -2,-0.3 2,-0.5 -0.975 14.7-152.2-142.6 155.2 58.1 85.1 32.7 139 224 A L E -f 168 0C 64 -2,-0.3 2,-0.4 28,-0.2 30,-0.2 -0.968 30.4-139.4-124.7 106.3 58.3 85.7 28.9 140 225 A V + 0 0 2 28,-2.9 33,-0.1 -2,-0.5 3,-0.1 -0.556 26.4 174.4 -70.9 126.2 60.3 88.9 28.4 141 226 A M + 0 0 91 -2,-0.4 2,-0.3 1,-0.3 -1,-0.1 0.351 63.9 37.3-115.0 4.4 58.7 90.9 25.6 142 227 A D >> - 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0 0 1 -6,-1.7 -59,-1.5 -62,-0.2 2,-0.2 -0.973 46.6 -69.9-174.8 172.7 61.0 78.0 44.8 164 249 A P E -e 104 0C 0 0, 0.0 -29,-3.4 0, 0.0 -28,-1.0 -0.565 34.2-169.0 -83.9 144.8 62.1 78.1 41.1 165 250 A V E -ef 105 136C 0 -61,-2.6 -59,-2.5 -2,-0.2 2,-0.4 -1.000 8.8-154.4-131.1 127.1 61.3 81.0 38.8 166 251 A L E -ef 106 137C 0 -30,-1.4 -28,-2.2 -2,-0.4 2,-0.5 -0.868 3.8-163.0-107.9 137.5 61.9 80.7 35.0 167 252 A V E -ef 107 138C 2 -61,-3.0 -59,-2.1 -2,-0.4 2,-0.5 -0.959 5.4-157.4-123.0 113.8 62.6 83.6 32.7 168 253 A D E -ef 108 139C 3 -30,-3.2 -28,-2.9 -2,-0.5 -59,-0.2 -0.792 9.8-167.9 -93.2 124.2 62.3 83.2 29.0 169 254 A V E -e 109 0C 1 -61,-2.8 -59,-1.7 -2,-0.5 5,-0.1 -0.912 16.1-134.4-120.4 109.8 64.2 85.6 26.9 170 255 A P E >> -e 110 0C 0 0, 0.0 4,-1.2 0, 0.0 3,-0.6 -0.231 20.7-123.3 -57.4 145.3 63.6 86.0 23.1 171 256 A K H 3> S+ 0 0 64 -61,-1.9 4,-1.3 1,-0.2 3,-0.2 0.845 110.2 57.4 -60.3 -36.1 66.8 86.2 21.0 172 257 A D H 3> S+ 0 0 38 1,-0.2 4,-1.0 2,-0.2 -1,-0.2 0.855 105.1 51.3 -66.1 -31.1 65.8 89.5 19.5 173 258 A I H <4 S+ 0 0 0 -3,-0.6 -159,-0.4 1,-0.2 -1,-0.2 0.775 104.5 57.5 -75.4 -24.8 65.6 91.0 22.9 174 259 A Q H < S+ 0 0 1 -4,-1.2 -159,-2.7 -3,-0.2 -158,-0.3 0.846 112.8 40.5 -71.0 -33.5 69.1 89.7 23.8 175 260 A Q H < S+ 0 0 81 -4,-1.3 -2,-0.2 -162,-0.2 2,-0.2 0.600 89.3 109.5 -90.5 -15.5 70.5 91.6 20.8 176 261 A Q < - 0 0 72 -4,-1.0 -162,-1.0 -5,-0.1 2,-0.2 -0.444 67.1-131.3 -67.2 130.4 68.4 94.8 21.2 177 262 A L E +A 13 0A 116 -164,-0.2 2,-0.3 -2,-0.2 -164,-0.2 -0.583 42.3 142.7 -81.9 143.8 70.5 97.8 22.3 178 263 A A E -A 12 0A 13 -166,-1.8 -166,-2.3 -2,-0.2 -168,-0.0 -0.985 51.3-108.8-170.8 166.1 69.3 99.8 25.3 179 264 A I - 0 0 75 -2,-0.3 -165,-0.0 -168,-0.2 -166,-0.0 -0.938 41.8-133.8-109.4 112.6 70.1 101.8 28.4 180 265 A P - 0 0 17 0, 0.0 2,-0.6 0, 0.0 -36,-0.1 -0.283 6.5-147.9 -66.4 148.4 69.0 99.9 31.5 181 266 A N > - 0 0 70 -37,-0.2 3,-0.8 1,-0.1 -33,-0.1 -0.936 13.7-178.6-119.2 105.1 67.1 101.5 34.4 182 267 A W T 3 S+ 0 0 58 -2,-0.6 -1,-0.1 1,-0.2 0, 0.0 0.324 73.5 72.6 -86.3 10.0 68.1 99.8 37.6 183 268 A E T 3 + 0 0 166 2,-0.1 -1,-0.2 0, 0.0 -2,-0.0 0.529 65.7 123.2-100.1 -9.3 65.7 102.1 39.6 184 269 A Q < - 0 0 47 -3,-0.8 2,-0.2 1,-0.1 -3,-0.0 -0.214 60.2-123.1 -57.8 141.1 62.4 100.5 38.4 185 270 A A - 0 0 81 1,-0.1 2,-0.2 2,-0.0 -1,-0.1 -0.498 26.5-106.7 -83.9 153.7 60.0 99.2 41.1 186 271 A M - 0 0 47 -2,-0.2 2,-0.8 1,-0.1 -1,-0.1 -0.542 17.1-136.5 -81.2 146.5 58.8 95.6 41.2 187 272 A R + 0 0 172 -2,-0.2 3,-0.1 1,-0.2 -1,-0.1 -0.517 66.9 115.8-100.7 63.9 55.2 94.8 40.2 188 273 A L > + 0 0 16 -2,-0.8 4,-3.1 1,-0.1 5,-0.4 -0.260 23.2 141.7-123.6 45.4 54.4 92.4 43.0 189 274 A P H > S+ 0 0 101 0, 0.0 4,-1.3 0, 0.0 -1,-0.1 0.909 76.1 43.3 -53.0 -48.4 51.7 94.3 44.8 190 275 A G H > S+ 0 0 44 2,-0.2 4,-1.3 1,-0.2 5,-0.1 0.932 117.3 44.6 -65.3 -46.8 49.6 91.2 45.5 191 276 A Y H >> S+ 0 0 65 1,-0.2 4,-0.7 2,-0.2 3,-0.6 0.939 114.9 46.9 -63.5 -49.7 52.5 89.0 46.6 192 277 A M H 3< S+ 0 0 79 -4,-3.1 3,-0.3 1,-0.2 -1,-0.2 0.790 109.2 57.6 -64.7 -25.2 54.2 91.6 48.7 193 278 A S H 3< S+ 0 0 92 -4,-1.3 -1,-0.2 -5,-0.4 -2,-0.2 0.815 107.9 45.5 -73.4 -31.3 50.8 92.3 50.3 194 279 A R H << S+ 0 0 210 -4,-1.3 -1,-0.2 -3,-0.6 -2,-0.2 0.468 80.5 125.5 -91.7 -3.2 50.4 88.7 51.4 195 280 A M S < S- 0 0 67 -4,-0.7 -3,-0.0 -3,-0.3 116,-0.0 -0.389 71.9-103.6 -60.1 124.7 54.0 88.3 52.8 196 281 A P - 0 0 47 0, 0.0 132,-0.1 0, 0.0 -1,-0.1 -0.108 31.6-134.1 -51.1 141.2 53.7 87.1 56.4 197 282 A K - 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0 0 16 -3,-1.0 67,-0.0 -4,-0.5 65,-0.0 -0.637 47.6-173.5 -97.8 153.8 52.0 69.1 78.1 215 300 A K S S+ 0 0 64 -2,-0.2 140,-0.2 1,-0.1 -1,-0.1 0.631 87.3 36.2-111.8 -25.5 53.4 65.9 79.4 216 301 A K S S+ 0 0 76 139,-0.1 64,-2.1 138,-0.1 65,-1.2 -0.546 75.8 170.2-131.0 68.5 54.5 64.4 76.1 217 302 A P E -g 281 0D 0 0, 0.0 2,-0.4 0, 0.0 65,-0.2 -0.520 9.2-171.5 -81.4 145.4 55.7 67.1 73.7 218 303 A V E -g 282 0D 0 63,-2.5 65,-2.7 -2,-0.2 2,-0.4 -0.984 17.9-139.2-141.7 129.3 57.4 66.3 70.4 219 304 A L E -gh 283 243D 0 23,-2.8 25,-3.3 -2,-0.4 2,-0.6 -0.731 12.3-166.2 -86.4 131.2 59.2 68.6 67.9 220 305 A Y E -gh 284 244D 1 63,-2.7 65,-1.2 -2,-0.4 2,-0.3 -0.857 17.9-174.9-120.7 88.5 58.4 67.7 64.3 221 306 A V E +gh 285 245D 0 23,-2.6 25,-2.0 -2,-0.6 28,-0.3 -0.678 6.9 167.9 -93.6 140.5 61.1 69.7 62.3 222 307 A G > - 0 0 1 63,-1.8 3,-2.0 -2,-0.3 65,-0.2 -0.526 53.9 -59.7-132.4-163.1 61.3 70.0 58.5 223 308 A G G > S+ 0 0 28 1,-0.3 3,-1.5 -2,-0.2 64,-0.2 0.712 118.1 73.2 -58.5 -22.0 63.0 71.8 55.6 224 309 A G G 3 S+ 0 0 43 62,-2.5 3,-0.3 1,-0.3 -1,-0.3 0.607 90.0 59.6 -70.1 -9.0 61.6 75.1 56.9 225 310 A C G X + 0 0 0 -3,-2.0 3,-2.4 61,-0.4 -1,-0.3 0.321 67.9 110.6-100.0 8.2 64.0 75.1 59.7 226 311 A L T < S+ 0 0 43 -3,-1.5 3,-0.2 1,-0.3 -1,-0.2 0.682 86.2 38.6 -57.1 -19.0 67.2 75.0 57.6 227 312 A N T 3 S+ 0 0 96 -3,-0.3 -1,-0.3 1,-0.1 4,-0.1 0.119 104.9 69.8-117.3 19.6 68.0 78.6 58.6 228 313 A S <> + 0 0 1 -3,-2.4 4,-3.4 1,-0.1 5,-0.3 0.014 55.0 127.3-124.6 25.4 67.0 78.3 62.2 229 314 A S H > S+ 0 0 24 -3,-0.2 4,-2.3 1,-0.2 5,-0.1 0.925 80.9 37.6 -47.4 -57.0 69.7 76.0 63.4 230 315 A D H > S+ 0 0 114 2,-0.2 4,-2.9 1,-0.2 5,-0.3 0.952 117.0 50.1 -64.0 -51.3 70.7 78.2 66.3 231 316 A E H > S+ 0 0 26 1,-0.2 4,-2.4 2,-0.2 -2,-0.2 0.905 113.1 46.9 -54.4 -45.3 67.2 79.3 67.2 232 317 A L H X S+ 0 0 0 -4,-3.4 4,-2.5 2,-0.2 -1,-0.2 0.932 111.5 51.7 -63.8 -45.3 66.0 75.7 67.3 233 318 A G H X S+ 0 0 21 -4,-2.3 4,-2.2 -5,-0.3 3,-0.3 0.969 111.9 45.4 -54.4 -56.7 69.0 74.6 69.3 234 319 A R H < S+ 0 0 80 -4,-2.9 4,-0.4 1,-0.2 -1,-0.2 0.882 111.2 54.5 -53.7 -42.2 68.4 77.3 71.9 235 320 A F H >X S+ 0 0 0 -4,-2.4 4,-0.8 -5,-0.3 3,-0.8 0.890 109.0 47.8 -60.7 -41.1 64.7 76.5 71.9 236 321 A V H >X S+ 0 0 0 -4,-2.5 4,-3.3 -3,-0.3 3,-0.5 0.876 107.5 53.8 -70.9 -36.7 65.4 72.8 72.7 237 322 A E H 3< S+ 0 0 133 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.507 111.9 48.5 -76.6 -0.0 67.8 73.6 75.5 238 323 A L H <4 S+ 0 0 40 -3,-0.8 112,-0.2 -4,-0.4 -1,-0.2 0.558 126.0 23.9-109.9 -16.8 65.1 75.7 77.0 239 324 A T H << S- 0 0 5 -4,-0.8 -2,-0.2 -3,-0.5 113,-0.2 0.563 87.0-140.3-121.4 -20.9 62.3 73.1 76.7 240 325 A G < + 0 0 12 -4,-3.3 112,-0.1 -5,-0.2 -3,-0.1 0.886 43.8 160.4 58.8 40.0 64.1 69.8 76.6 241 326 A I - 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0 0 2 0, 0.0 4,-2.2 0, 0.0 3,-0.5 -0.780 8.0-144.1 -86.2 120.2 76.8 46.3 54.4 379 464 A P H 3> S+ 0 0 2 0, 0.0 4,-2.3 0, 0.0 5,-0.3 0.914 101.4 56.2 -50.2 -43.6 75.8 49.6 52.8 380 465 A Q H 3> S+ 0 0 5 1,-0.2 4,-2.2 2,-0.2 5,-0.1 0.916 108.4 48.1 -53.2 -44.5 74.7 50.9 56.2 381 466 A Y H <> S+ 0 0 70 -3,-0.5 4,-2.6 2,-0.2 -1,-0.2 0.900 107.3 55.3 -63.8 -42.9 78.2 50.2 57.6 382 467 A A H X S+ 0 0 0 -4,-2.2 4,-2.2 1,-0.2 -1,-0.2 0.923 111.0 44.3 -56.7 -46.3 79.9 51.9 54.6 383 468 A I H X S+ 0 0 0 -4,-2.3 4,-2.5 1,-0.2 -1,-0.2 0.898 110.8 55.5 -65.2 -40.5 78.0 55.1 55.3 384 469 A K H X S+ 0 0 102 -4,-2.2 4,-2.0 -5,-0.3 -2,-0.2 0.890 109.0 47.6 -59.8 -38.8 78.7 54.7 59.0 385 470 A V H X S+ 0 0 5 -4,-2.6 4,-2.9 2,-0.2 5,-0.3 0.915 109.0 52.6 -68.9 -43.5 82.4 54.5 58.2 386 471 A L H X S+ 0 0 0 -4,-2.2 4,-1.6 1,-0.2 6,-0.3 0.908 107.5 53.9 -58.1 -42.3 82.3 57.5 55.9 387 472 A D H <>S+ 0 0 19 -4,-2.5 5,-2.3 23,-0.2 4,-0.5 0.960 111.6 44.4 -56.6 -52.4 80.6 59.4 58.8 388 473 A E H ><5S+ 0 0 118 -4,-2.0 3,-1.1 1,-0.2 -2,-0.2 0.931 113.3 48.0 -60.2 -50.3 83.5 58.5 61.2 389 474 A L H 3<5S+ 0 0 36 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.714 118.5 41.5 -66.4 -19.8 86.3 59.2 58.8 390 475 A T T ><5S- 0 0 8 -4,-1.6 3,-1.7 -3,-0.4 -1,-0.3 0.359 106.1-127.1-106.0 2.3 84.8 62.6 57.9 391 476 A D T < 5 - 0 0 97 -3,-1.1 -3,-0.2 -4,-0.5 -4,-0.1 0.808 60.2 -74.4 55.3 30.8 83.8 63.4 61.4 392 477 A G T 3 S- 0 0 7 -2,-0.4 4,-1.8 1,-0.2 5,-0.1 -0.961 106.7 -19.8 136.6-153.9 66.2 54.8 46.6 402 487 A Q H > S+ 0 0 4 -2,-0.3 4,-2.7 1,-0.2 5,-0.2 0.924 131.3 53.5 -59.0 -48.5 67.6 52.5 49.3 403 488 A H H > S+ 0 0 13 1,-0.2 4,-3.0 2,-0.2 -1,-0.2 0.860 106.4 55.4 -56.4 -34.3 71.0 54.2 49.4 404 489 A Q H > S+ 0 0 11 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.942 108.3 46.5 -64.0 -47.4 69.2 57.5 50.0 405 490 A M H X S+ 0 0 17 -4,-1.8 4,-3.0 1,-0.2 -2,-0.2 0.921 114.8 47.6 -62.5 -40.8 67.4 56.1 53.0 406 491 A W H X S+ 0 0 11 -4,-2.7 4,-3.0 1,-0.2 -2,-0.2 0.896 108.3 53.7 -68.5 -36.8 70.6 54.6 54.3 407 492 A A H < S+ 0 0 0 -4,-3.0 4,-0.3 -5,-0.2 -1,-0.2 0.857 113.7 45.0 -63.6 -31.7 72.5 57.9 53.7 408 493 A A H < S+ 0 0 6 -4,-1.9 3,-0.4 -5,-0.2 -2,-0.2 0.926 118.5 41.4 -76.0 -45.3 69.8 59.5 55.8 409 494 A Q H < S+ 0 0 23 -4,-3.0 -2,-0.2 1,-0.2 -3,-0.2 0.907 118.5 39.1 -70.8 -45.9 69.7 56.9 58.6 410 495 A F S < S+ 0 0 13 -4,-3.0 2,-0.4 -5,-0.2 -23,-0.2 0.189 99.2 75.4 -99.5 20.3 73.4 56.2 59.1 411 496 A Y - 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0 0 1 -2,-0.6 2,-0.9 -24,-0.2 -22,-0.1 -1.000 54.8-115.7-147.5 141.4 68.7 65.0 48.6 422 507 A S + 0 0 1 -24,-0.4 8,-0.1 -2,-0.3 -325,-0.1 -0.662 44.7 161.1 -77.7 108.0 65.6 65.1 46.3 423 508 A G + 0 0 33 -2,-0.9 -1,-0.2 -327,-0.1 -323,-0.1 0.903 62.0 37.9 -97.6 -49.9 62.7 64.4 48.7 424 509 A G S S+ 0 0 31 -328,-0.2 -2,-0.1 1,-0.1 -328,-0.1 0.932 133.6 21.7 -71.2 -47.3 59.3 65.5 47.2 425 510 A L S S- 0 0 75 -329,-0.2 -1,-0.1 2,-0.1 -2,-0.1 0.814 90.8-150.1 -88.6 -35.2 59.8 64.5 43.6 426 511 A G - 0 0 25 1,-0.2 2,-0.6 -330,-0.1 -3,-0.1 0.970 19.3-169.3 63.3 57.6 62.6 62.0 44.3 427 512 A A > - 0 0 16 -335,-0.1 3,-0.8 -28,-0.1 -5,-0.2 -0.695 14.2-136.7 -87.3 120.8 64.5 62.4 41.1 428 513 A M T 3 S+ 0 0 59 -2,-0.6 -29,-0.1 1,-0.2 27,-0.1 -0.287 87.7 42.0 -66.7 156.2 67.2 59.8 40.3 429 514 A G T 3 S+ 0 0 2 23,-0.1 -1,-0.2 -29,-0.1 -30,-0.1 0.532 82.6 110.6 82.8 6.3 70.4 61.2 38.8 430 515 A F <> + 0 0 0 -3,-0.8 4,-2.6 1,-0.1 5,-0.3 0.848 58.8 70.7 -79.5 -39.2 70.4 64.1 41.3 431 516 A G H > S+ 0 0 0 1,-0.2 4,-1.8 2,-0.2 -1,-0.1 0.841 97.6 42.7 -49.2 -52.3 73.3 63.1 43.4 432 517 A L H > S+ 0 0 2 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.961 118.5 43.2 -67.2 -50.1 76.3 63.6 41.2 433 518 A P H > S+ 0 0 1 0, 0.0 4,-2.0 0, 0.0 5,-0.2 0.907 112.6 53.9 -62.2 -39.4 75.2 67.0 39.7 434 519 A A H X S+ 0 0 0 -4,-2.6 4,-2.6 1,-0.2 -2,-0.2 0.902 106.0 53.0 -61.0 -39.9 74.1 68.2 43.1 435 520 A A H X S+ 0 0 0 -4,-1.8 4,-2.6 -5,-0.3 -1,-0.2 0.874 105.4 55.7 -62.0 -37.4 77.5 67.4 44.5 436 521 A I H X S+ 0 0 2 -4,-1.7 4,-2.0 1,-0.2 -2,-0.2 0.937 111.0 42.6 -60.8 -47.7 79.0 69.5 41.7 437 522 A G H X S+ 0 0 0 -4,-2.0 4,-2.1 1,-0.2 -2,-0.2 0.898 113.4 52.4 -66.3 -39.8 77.0 72.5 42.7 438 523 A A H X S+ 0 0 0 -4,-2.6 4,-1.3 1,-0.2 -2,-0.2 0.899 109.4 49.8 -63.0 -40.7 77.7 72.0 46.4 439 524 A S H < S+ 0 0 1 -4,-2.6 6,-0.2 2,-0.2 -1,-0.2 0.905 109.7 49.5 -66.6 -42.6 81.4 71.8 45.8 440 525 A V H < S+ 0 0 14 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.900 114.8 45.8 -63.6 -37.5 81.5 75.0 43.7 441 526 A A H < S+ 0 0 22 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.711 125.1 33.3 -76.7 -20.1 79.5 76.7 46.5 442 527 A N >< + 0 0 44 -4,-1.3 3,-2.1 -5,-0.2 -1,-0.3 -0.544 68.5 170.7-137.4 70.1 81.8 75.2 49.1 443 528 A P T 3 S+ 0 0 86 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.727 80.0 46.1 -50.6 -33.2 85.4 74.9 47.6 444 529 A D T 3 S+ 0 0 164 2,-0.1 2,-0.2 -5,-0.0 -5,-0.1 0.183 96.3 97.6-101.9 17.7 87.0 74.0 50.9 445 530 A A S < S- 0 0 31 -3,-2.1 2,-0.7 -6,-0.2 -51,-0.1 -0.633 78.8-110.3-105.7 163.7 84.5 71.3 52.0 446 531 A I - 0 0 70 -53,-0.4 -51,-3.2 -2,-0.2 2,-0.6 -0.831 37.9-169.3 -90.3 117.7 84.4 67.6 51.8 447 532 A V E +mo 395 473F 0 -2,-0.7 27,-2.7 25,-0.7 2,-0.5 -0.947 6.7 179.8-116.2 117.3 81.7 66.8 49.3 448 533 A V E -mo 396 474F 0 -53,-2.9 -51,-2.0 -2,-0.6 2,-0.8 -0.961 18.6-154.6-122.8 124.8 80.5 63.2 48.9 449 534 A D E -mo 397 475F 0 25,-3.3 27,-2.0 -2,-0.5 2,-1.2 -0.851 7.9-161.7 -96.2 108.0 77.9 61.9 46.6 450 535 A I E +mo 398 476F 0 -53,-2.6 -51,-1.0 -2,-0.8 27,-0.2 -0.789 30.9 174.2 -89.2 95.5 76.5 58.7 48.1 451 536 A D E - o 0 477F 1 -2,-1.2 27,-2.6 25,-0.9 2,-0.3 -0.523 32.8-129.8-105.7 169.8 74.9 57.3 44.9 452 537 A G E > - o 0 478F 6 25,-0.2 4,-3.3 -2,-0.2 5,-0.2 -0.791 30.2-116.2-111.3 156.9 73.2 54.1 43.7 453 538 A D H > S+ 0 0 5 25,-0.7 4,-1.2 -2,-0.3 26,-0.1 0.821 116.7 47.2 -66.5 -29.0 74.3 52.3 40.5 454 539 A G H > S+ 0 0 8 28,-0.4 4,-0.9 2,-0.2 -1,-0.2 0.947 118.4 39.1 -74.4 -48.3 70.9 53.1 38.9 455 540 A S H > S+ 0 0 4 1,-0.2 4,-0.7 2,-0.2 3,-0.4 0.885 112.9 57.1 -67.4 -41.2 70.9 56.8 39.9 456 541 A F H >< S+ 0 0 1 -4,-3.3 3,-0.5 1,-0.2 -1,-0.2 0.884 103.8 50.9 -60.1 -42.2 74.6 57.3 39.2 457 542 A I H >< S+ 0 0 67 -4,-1.2 3,-1.3 -5,-0.2 4,-0.2 0.782 94.3 74.1 -71.0 -23.5 74.5 56.2 35.6 458 543 A M H 3< S+ 0 0 103 -4,-0.9 -1,-0.2 -3,-0.4 3,-0.2 0.876 116.3 17.3 -57.2 -42.6 71.7 58.5 34.7 459 544 A N T X< S+ 0 0 4 -4,-0.7 3,-2.1 -3,-0.5 -1,-0.3 -0.135 83.2 133.4-122.6 38.4 73.8 61.6 34.8 460 545 A V T X + 0 0 26 -3,-1.3 3,-2.1 1,-0.3 4,-0.3 0.735 58.8 77.1 -59.1 -24.4 77.2 59.9 34.6 461 546 A Q T >> S+ 0 0 53 1,-0.3 3,-1.3 -4,-0.2 4,-0.6 0.712 76.7 74.9 -62.3 -18.3 78.2 62.4 31.9 462 547 A E H <> S+ 0 0 1 -3,-2.1 4,-2.3 1,-0.3 -1,-0.3 0.610 73.2 80.9 -71.5 -7.4 78.7 64.9 34.6 463 548 A L H <> S+ 0 0 3 -3,-2.1 4,-2.1 1,-0.2 -1,-0.3 0.883 89.1 56.2 -62.4 -34.7 82.0 63.1 35.6 464 549 A A H <> S+ 0 0 24 -3,-1.3 4,-2.4 -4,-0.3 -1,-0.2 0.902 105.6 50.3 -60.8 -42.7 83.4 65.0 32.6 465 550 A T H X S+ 0 0 0 -4,-0.6 4,-2.8 1,-0.2 -2,-0.2 0.935 107.8 53.0 -60.1 -49.8 82.3 68.3 34.3 466 551 A I H <>S+ 0 0 1 -4,-2.3 5,-2.1 2,-0.2 4,-0.2 0.904 112.1 44.8 -53.6 -47.3 83.9 67.4 37.6 467 552 A R H ><5S+ 0 0 68 -4,-2.1 3,-1.6 3,-0.2 -2,-0.2 0.973 114.7 46.2 -63.5 -56.2 87.3 66.7 36.0 468 553 A V H 3<5S+ 0 0 82 -4,-2.4 -2,-0.2 1,-0.3 -1,-0.2 0.845 116.1 44.8 -56.8 -38.7 87.3 69.8 33.8 469 554 A E T 3<5S- 0 0 37 -4,-2.8 -1,-0.3 -5,-0.2 -2,-0.2 0.441 107.5-132.4 -85.6 1.4 86.2 72.1 36.7 470 555 A N T < 5 + 0 0 110 -3,-1.6 -3,-0.2 -4,-0.2 -2,-0.1 0.917 41.8 171.3 45.2 59.0 88.7 70.2 38.9 471 556 A L < - 0 0 8 -5,-2.1 2,-2.6 -6,-0.1 -1,-0.2 -0.827 41.0-127.9-101.1 132.0 86.2 69.7 41.7 472 557 A P + 0 0 42 0, 0.0 -25,-0.7 0, 0.0 2,-0.5 -0.206 49.5 159.3 -73.4 52.3 87.1 67.5 44.7 473 558 A V E -o 447 0F 1 -2,-2.6 77,-2.0 -7,-0.1 2,-0.4 -0.669 25.4-158.7 -82.5 123.1 83.9 65.5 44.4 474 559 A K E -op 448 550F 14 -27,-2.7 -25,-3.3 -2,-0.5 2,-0.6 -0.838 3.0-154.4-100.3 136.1 84.1 62.1 46.1 475 560 A V E -op 449 551F 3 75,-3.0 77,-2.8 -2,-0.4 2,-1.1 -0.928 9.4-170.2-116.9 112.0 81.6 59.4 44.9 476 561 A L E -op 450 552F 0 -27,-2.0 -25,-0.9 -2,-0.6 2,-0.8 -0.804 17.4-165.9 -97.5 91.5 80.6 56.7 47.3 477 562 A L E -op 451 553F 0 75,-2.0 77,-2.9 -2,-1.1 2,-1.6 -0.714 12.8-157.8 -86.4 108.1 78.8 54.4 45.0 478 563 A L E -op 452 554F 7 -27,-2.6 -25,-0.7 -2,-0.8 2,-0.6 -0.677 20.8-164.7 -84.6 89.2 76.7 51.7 46.8 479 564 A N E + p 0 555F 0 75,-2.0 77,-2.4 -2,-1.6 -27,-0.1 -0.680 30.4 152.8 -83.5 117.4 76.6 49.3 43.9 480 565 A N - 0 0 18 -2,-0.6 -1,-0.1 2,-0.3 78,-0.1 0.171 54.8-123.3-126.7 14.1 73.9 46.6 44.2 481 566 A Q S S+ 0 0 21 1,-0.2 22,-2.8 22,-0.1 23,-0.8 0.547 81.5 81.7 56.4 8.1 73.3 45.9 40.5 482 567 A H B S-R 502 0G 17 20,-0.2 2,-1.4 21,-0.2 -28,-0.4 -0.815 92.4-104.4-135.0 174.6 69.6 46.6 41.1 483 568 A L > - 0 0 50 18,-1.7 4,-2.3 -2,-0.3 3,-0.4 -0.767 49.7-164.6 -97.0 78.7 66.9 49.3 41.4 484 569 A G H > S+ 0 0 10 -2,-1.4 4,-2.6 1,-0.2 -1,-0.2 0.785 74.2 46.0 -34.1 -59.2 67.0 48.7 45.1 485 570 A M H > S+ 0 0 44 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.902 115.0 46.3 -61.3 -44.1 63.8 50.4 46.3 486 571 A V H > S+ 0 0 77 -3,-0.4 4,-1.7 1,-0.2 -1,-0.2 0.882 112.9 52.5 -65.6 -36.4 61.6 49.0 43.5 487 572 A M H X S+ 0 0 0 -4,-2.3 4,-2.6 2,-0.2 -2,-0.2 0.910 105.1 54.0 -64.1 -44.4 63.1 45.6 44.2 488 573 A Q H X S+ 0 0 0 -4,-2.6 4,-2.6 1,-0.2 -1,-0.2 0.915 109.7 47.7 -57.4 -43.3 62.3 45.8 47.9 489 574 A W H X S+ 0 0 76 -4,-1.8 4,-2.9 2,-0.2 5,-0.5 0.840 108.2 55.0 -68.0 -32.1 58.7 46.5 47.0 490 575 A E H X S+ 0 0 13 -4,-1.7 4,-2.1 3,-0.2 6,-1.8 0.943 110.3 47.2 -64.9 -44.4 58.7 43.5 44.6 491 576 A D H < S+ 0 0 26 -4,-2.6 4,-0.5 4,-0.2 -2,-0.2 0.955 118.5 39.4 -60.2 -52.3 59.9 41.3 47.5 492 577 A R H < S+ 0 0 71 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.879 134.0 15.9 -69.0 -40.7 57.3 42.6 50.0 493 578 A F H < S+ 0 0 89 -4,-2.9 -3,-0.2 -5,-0.2 -2,-0.2 0.504 126.9 44.7-117.2 -2.1 54.3 42.9 47.8 494 579 A Y S >< S- 0 0 146 -4,-2.1 3,-2.1 -5,-0.5 -3,-0.2 0.084 104.8-105.6-130.6 27.2 54.9 40.9 44.6 495 580 A K T 3 S- 0 0 200 -4,-0.5 -4,-0.2 1,-0.3 3,-0.1 0.886 73.7 -67.5 51.5 43.2 56.5 37.7 45.8 496 581 A A T 3 S+ 0 0 45 -6,-1.8 2,-1.0 1,-0.2 -1,-0.3 0.679 83.3 164.5 53.2 21.3 59.9 38.9 44.6 497 582 A N < - 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