==== 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 31-MAR-05 1Z8N . COMPND 2 MOLECULE: ACETOLACTATE SYNTHASE; . 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) . 22938.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 405 69.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 79 13.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 7 1.2 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 . 53 9.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 76 13.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 164 28.2 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 5 2 0 2 3 1 3 3 1 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 2 3 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 . 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 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 0 198 0, 0.0 2,-0.5 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 137.3 78.1 100.8 44.9 2 87 A F - 0 0 67 1,-0.1 2,-1.0 22,-0.0 22,-0.1 -0.604 360.0-142.3 -76.4 120.1 78.1 98.5 41.9 3 88 A I - 0 0 88 -2,-0.5 -1,-0.1 2,-0.0 0, 0.0 -0.738 23.3-152.9 -85.7 104.6 80.9 99.4 39.4 4 89 A S - 0 0 40 -2,-1.0 3,-0.0 2,-0.1 -1,-0.0 -0.119 19.0-135.7 -70.5 169.9 79.4 98.8 36.0 5 90 A R S S+ 0 0 88 2,-0.1 2,-0.3 0, 0.0 -1,-0.1 0.444 88.1 58.8-103.3 -7.4 81.3 98.0 32.8 6 91 A F S S- 0 0 40 4,-0.0 -2,-0.1 6,-0.0 6,-0.1 -0.874 94.1 -97.8-123.2 156.2 79.2 100.4 30.8 7 92 A A > - 0 0 36 -2,-0.3 3,-2.7 1,-0.1 -2,-0.1 -0.475 36.5-115.7 -71.4 140.1 78.6 104.2 31.0 8 93 A P T 3 S+ 0 0 123 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.652 120.2 33.1 -49.8 -16.7 75.3 105.1 32.8 9 94 A D T 3 S+ 0 0 121 2,-0.1 -2,-0.1 170,-0.0 170,-0.0 0.303 94.8 111.1-121.6 4.0 74.2 106.6 29.5 10 95 A Q < - 0 0 87 -3,-2.7 2,-0.2 1,-0.0 168,-0.1 -0.706 65.4-132.4 -86.1 122.1 75.9 104.1 27.2 11 96 A P + 0 0 73 0, 0.0 2,-0.3 0, 0.0 168,-0.2 -0.480 32.3 171.9 -73.0 142.2 73.6 101.8 25.3 12 97 A R E -A 178 0A 8 166,-2.2 166,-1.9 -2,-0.2 5,-0.1 -0.927 38.8 -73.1-144.2 165.7 74.5 98.1 25.4 13 98 A K E > -A 177 0A 67 -2,-0.3 4,-1.9 164,-0.2 3,-0.3 -0.210 37.9-121.9 -60.0 151.9 73.0 94.8 24.3 14 99 A G H > S+ 0 0 0 162,-1.3 4,-2.8 159,-0.4 160,-0.2 0.893 115.7 60.7 -60.7 -38.5 70.1 93.4 26.3 15 100 A A H > S+ 0 0 1 159,-2.7 4,-2.1 1,-0.2 -1,-0.3 0.882 105.5 47.6 -55.3 -39.6 72.2 90.3 26.9 16 101 A D H > S+ 0 0 7 158,-0.3 4,-2.5 -3,-0.3 -1,-0.2 0.886 108.8 53.4 -69.2 -39.3 74.7 92.6 28.6 17 102 A I H X S+ 0 0 0 -4,-1.9 4,-1.5 2,-0.2 -2,-0.2 0.886 108.2 52.0 -62.6 -38.9 72.0 94.2 30.6 18 103 A L H >X S+ 0 0 3 -4,-2.8 4,-1.6 2,-0.2 3,-1.0 0.989 110.2 46.0 -60.5 -60.8 70.9 90.7 31.8 19 104 A V H 3X S+ 0 0 0 -4,-2.1 4,-2.1 1,-0.3 3,-0.5 0.888 113.1 50.4 -50.1 -44.1 74.4 89.6 32.9 20 105 A E H 3X S+ 0 0 0 -4,-2.5 4,-2.1 1,-0.2 -1,-0.3 0.816 105.3 57.9 -65.5 -27.8 74.8 93.0 34.7 21 106 A A H << S+ 0 0 4 -4,-1.5 -1,-0.2 -3,-1.0 4,-0.2 0.825 107.6 47.6 -68.5 -31.7 71.5 92.4 36.3 22 107 A L H ><>S+ 0 0 0 -4,-1.6 5,-1.9 -3,-0.5 3,-1.0 0.884 109.3 51.7 -75.4 -41.8 72.9 89.1 37.8 23 108 A E H ><5S+ 0 0 12 -4,-2.1 3,-2.0 1,-0.3 -2,-0.2 0.913 106.7 54.5 -61.6 -41.6 76.1 90.8 39.0 24 109 A R T 3<5S+ 0 0 83 -4,-2.1 -1,-0.3 1,-0.3 -2,-0.2 0.637 103.9 57.1 -66.4 -14.5 74.0 93.4 40.8 25 110 A Q T < 5S- 0 0 72 -3,-1.0 -1,-0.3 -4,-0.2 -2,-0.2 0.358 122.4-107.2 -95.8 2.4 72.2 90.5 42.5 26 111 A G T < 5 + 0 0 49 -3,-2.0 -3,-0.2 1,-0.3 -2,-0.1 0.436 63.2 159.6 87.4 -0.5 75.5 89.2 43.9 27 112 A V < + 0 0 12 -5,-1.9 -1,-0.3 1,-0.2 3,-0.1 -0.330 12.0 163.0 -59.2 130.1 75.6 86.2 41.5 28 113 A E + 0 0 104 1,-0.2 24,-3.5 23,-0.1 2,-0.4 0.500 61.9 47.4-121.7 -16.2 79.1 84.8 41.2 29 114 A T E +b 52 0B 11 22,-0.2 2,-0.3 24,-0.1 -1,-0.2 -0.983 54.0 170.4-136.8 137.9 78.3 81.5 39.7 30 115 A V E -b 53 0B 0 22,-2.0 24,-2.6 -2,-0.4 2,-0.5 -0.922 25.7-142.7-136.6 162.5 76.1 80.1 36.9 31 116 A F E +c 79 0C 3 47,-1.4 49,-2.3 -2,-0.3 2,-0.4 -0.893 37.3 166.3-127.8 96.3 75.7 76.7 35.3 32 117 A A E -c 80 0C 0 -2,-0.5 49,-0.2 47,-0.2 -2,-0.1 -0.960 26.3-163.9-124.5 133.8 75.1 77.4 31.6 33 118 A Y E -c 81 0C 87 47,-1.8 49,-0.5 -2,-0.4 24,-0.1 -0.966 33.9-114.6-113.9 122.2 75.2 75.2 28.6 34 119 A P + 0 0 62 0, 0.0 48,-0.3 0, 0.0 2,-0.3 0.114 41.3 154.6 -52.2 160.8 75.4 77.0 25.2 35 120 A G >> - 0 0 17 1,-0.1 4,-1.4 46,-0.1 3,-1.1 -0.934 55.3 -92.7-179.7 161.0 72.8 77.2 22.4 36 121 A G G >4 S+ 0 0 34 -2,-0.3 3,-0.7 1,-0.3 4,-0.4 0.923 122.6 49.8 -51.4 -50.3 71.7 79.3 19.5 37 122 A A G 34 S+ 0 0 6 1,-0.2 73,-0.3 72,-0.2 -1,-0.3 0.651 119.3 36.9 -65.3 -19.0 69.1 81.1 21.6 38 123 A S G <> S+ 0 0 0 -3,-1.1 4,-2.6 71,-0.2 3,-0.3 0.427 81.4 105.2-114.9 0.2 71.5 81.9 24.4 39 124 A M H S+ 0 0 27 -4,-0.4 4,-2.6 1,-0.2 -1,-0.2 0.915 110.7 49.8 -51.5 -46.7 74.4 86.4 23.0 41 126 A I H > S+ 0 0 1 -3,-0.3 4,-1.7 2,-0.2 -1,-0.2 0.941 110.7 48.4 -58.6 -49.7 74.0 85.7 26.8 42 127 A H H X S+ 0 0 26 -4,-2.6 4,-1.8 2,-0.2 3,-0.2 0.916 110.6 50.9 -57.9 -45.2 77.1 83.5 26.9 43 128 A Q H X S+ 0 0 103 -4,-3.0 4,-0.9 1,-0.2 3,-0.3 0.940 110.2 50.7 -56.7 -46.1 79.1 86.1 25.0 44 129 A A H < S+ 0 0 0 -4,-2.6 4,-0.3 -5,-0.2 -1,-0.2 0.791 105.5 57.5 -62.0 -28.9 77.9 88.6 27.6 45 130 A L H >< S+ 0 0 10 -4,-1.7 3,-1.5 -3,-0.2 -1,-0.2 0.882 100.8 55.2 -69.3 -39.9 79.0 86.2 30.3 46 131 A T H 3< S+ 0 0 110 -4,-1.8 -1,-0.2 -3,-0.3 -2,-0.2 0.747 100.3 60.9 -65.4 -22.7 82.6 86.1 29.0 47 132 A R T 3< S+ 0 0 85 -4,-0.9 2,-0.3 -5,-0.2 -1,-0.3 0.632 94.5 80.9 -77.8 -13.7 82.6 89.9 29.3 48 133 A S < - 0 0 10 -3,-1.5 -28,-0.0 -4,-0.3 -29,-0.0 -0.742 52.5-178.1 -95.4 142.2 82.0 89.5 33.0 49 134 A S S S+ 0 0 120 -2,-0.3 -1,-0.1 1,-0.1 -3,-0.0 0.573 78.9 62.4-111.5 -16.6 84.8 88.7 35.4 50 135 A S S S+ 0 0 63 1,-0.1 2,-0.5 -23,-0.0 -1,-0.1 0.673 96.5 69.1 -83.0 -16.6 82.9 88.5 38.7 51 136 A I - 0 0 13 -6,-0.2 2,-0.4 -22,-0.0 -22,-0.2 -0.907 65.9-159.8-110.3 122.1 80.8 85.5 37.4 52 137 A R E -b 29 0B 107 -24,-3.5 -22,-2.0 -2,-0.5 2,-0.5 -0.790 10.7-149.4 -94.9 138.8 82.3 82.1 36.8 53 138 A N E -b 30 0B 52 -2,-0.4 2,-0.8 -24,-0.2 -22,-0.2 -0.944 2.5-157.4-110.9 124.8 80.4 79.8 34.5 54 139 A V - 0 0 1 -24,-2.6 -22,-0.2 -2,-0.5 411,-0.0 -0.888 13.9-147.1-102.3 108.8 80.6 76.1 35.1 55 140 A L - 0 0 61 -2,-0.8 -22,-0.1 -24,-0.2 2,-0.1 -0.653 14.4-159.2 -78.0 117.4 79.7 74.3 31.8 56 141 A P - 0 0 5 0, 0.0 3,-0.1 0, 0.0 406,-0.1 -0.335 24.0-123.4 -86.5 176.1 77.9 71.0 32.5 57 142 A R S S+ 0 0 75 1,-0.3 2,-0.3 402,-0.1 3,-0.1 0.520 96.7 18.7 -98.3 -4.3 77.7 68.1 30.0 58 143 A H S >> S- 0 0 64 1,-0.1 4,-1.8 401,-0.1 3,-1.4 -0.943 78.6-120.4-161.5 137.8 73.9 68.1 30.1 59 144 A E H 3> S+ 0 0 18 -2,-0.3 4,-2.9 1,-0.3 5,-0.3 0.866 111.9 61.6 -51.2 -42.0 71.4 70.7 31.2 60 145 A Q H 3> S+ 0 0 35 1,-0.3 4,-2.1 2,-0.2 -1,-0.3 0.852 105.4 48.0 -55.2 -34.1 69.9 68.4 33.8 61 146 A G H <> S+ 0 0 0 -3,-1.4 4,-2.6 2,-0.2 -1,-0.3 0.906 109.5 55.3 -69.8 -40.9 73.3 68.4 35.4 62 147 A G H X S+ 0 0 2 -4,-1.8 4,-1.7 1,-0.2 -2,-0.2 0.945 111.5 40.8 -55.5 -53.2 73.3 72.1 35.1 63 148 A V H X S+ 0 0 0 -4,-2.9 4,-1.6 1,-0.2 -1,-0.2 0.897 116.1 50.1 -65.8 -39.7 70.1 72.6 36.9 64 149 A F H X S+ 0 0 1 -4,-2.1 4,-2.1 -5,-0.3 -1,-0.2 0.828 110.0 51.1 -68.0 -31.9 70.9 69.9 39.6 65 150 A A H X S+ 0 0 4 -4,-2.6 4,-2.8 2,-0.2 -1,-0.2 0.853 107.1 54.1 -71.1 -33.7 74.3 71.6 40.1 66 151 A A H X S+ 0 0 0 -4,-1.7 4,-2.3 -5,-0.3 -2,-0.2 0.856 108.7 49.3 -66.9 -34.1 72.4 74.9 40.6 67 152 A E H X S+ 0 0 0 -4,-1.6 4,-3.7 2,-0.2 5,-0.3 0.903 110.3 49.5 -69.3 -43.0 70.4 73.1 43.2 68 153 A G H X S+ 0 0 0 -4,-2.1 4,-3.1 2,-0.2 5,-0.2 0.943 110.4 50.8 -59.1 -48.8 73.5 71.8 44.9 69 154 A Y H X S+ 0 0 7 -4,-2.8 4,-0.7 2,-0.2 -2,-0.2 0.942 116.3 42.2 -52.3 -52.3 74.9 75.3 44.9 70 155 A A H >< S+ 0 0 2 -4,-2.3 3,-1.1 2,-0.2 -2,-0.2 0.960 117.2 43.6 -62.2 -56.4 71.7 76.6 46.4 71 156 A R H 3< S+ 0 0 24 -4,-3.7 -2,-0.2 1,-0.2 -1,-0.2 0.879 113.0 53.0 -58.7 -40.5 71.1 73.9 49.0 72 157 A S H 3< S+ 0 0 4 -4,-3.1 -1,-0.2 -5,-0.3 2,-0.2 0.608 123.4 16.8 -72.2 -14.0 74.8 73.8 50.1 73 158 A S S << S- 0 0 17 -3,-1.1 344,-0.1 -4,-0.7 369,-0.1 -0.600 83.9-101.9-137.3-162.5 74.8 77.6 50.7 74 159 A G S S+ 0 0 54 -2,-0.2 -4,-0.1 2,-0.1 -3,-0.0 0.717 89.0 92.9-101.7 -27.6 72.5 80.5 51.2 75 160 A K S S- 0 0 78 -6,-0.2 -2,-0.3 1,-0.1 2,-0.1 -0.163 81.9-108.3 -63.2 158.8 72.7 81.9 47.7 76 161 A P - 0 0 20 0, 0.0 2,-0.4 0, 0.0 28,-0.2 -0.471 33.2-106.2 -85.4 162.4 70.2 80.8 45.1 77 162 A G E - d 0 104C 0 26,-2.2 28,-3.2 -2,-0.1 2,-0.5 -0.717 30.3-162.5 -90.3 140.4 71.1 78.6 42.2 78 163 A I E + d 0 105C 3 -2,-0.4 -47,-1.4 -49,-0.2 2,-0.4 -0.965 13.2 171.3-126.3 116.5 71.4 80.1 38.8 79 164 A C E -cd 31 106C 1 26,-1.9 28,-2.5 -2,-0.5 2,-0.4 -0.943 12.3-160.2-124.0 147.8 71.4 77.9 35.7 80 165 A I E +cd 32 107C 3 -49,-2.3 -47,-1.8 -2,-0.4 2,-0.3 -0.980 14.3 165.9-129.7 140.0 71.2 79.0 32.0 81 166 A A E -cd 33 108C 0 26,-2.5 28,-2.1 -2,-0.4 -46,-0.1 -0.965 31.5-108.7-147.8 162.6 70.2 77.1 28.9 82 167 A T > - 0 0 7 -49,-0.5 5,-0.9 -48,-0.3 28,-0.1 -0.162 50.8 -75.8 -81.0-178.1 69.2 77.6 25.2 83 168 A S T > 5S- 0 0 3 3,-0.2 3,-2.0 25,-0.1 4,-0.2 -0.007 91.8 -0.1 -71.6 179.4 65.7 77.2 23.8 84 169 A G T 3>5S+ 0 0 3 1,-0.3 4,-2.8 2,-0.2 5,-0.3 -0.106 134.8 19.1 45.6-114.8 63.8 74.1 23.0 85 170 A P H 3>5S+ 0 0 68 0, 0.0 4,-0.9 0, 0.0 -1,-0.3 0.844 128.5 52.5 -53.7 -38.5 65.9 70.9 23.8 86 171 A G H X45S+ 0 0 3 -3,-2.0 3,-0.7 1,-0.2 -3,-0.2 0.982 113.6 42.8 -61.0 -55.4 68.1 73.0 26.1 87 172 A A H >4< S+ 0 0 54 -4,-2.8 3,-0.8 1,-0.3 4,-0.3 0.724 97.5 70.2 -65.8 -18.6 63.1 71.2 28.3 89 174 A N T << S+ 0 0 56 -4,-0.9 -1,-0.3 -3,-0.7 4,-0.2 0.596 94.0 55.2 -74.8 -6.5 66.2 69.6 29.8 90 175 A L T X> S+ 0 0 3 -3,-2.0 4,-1.9 -4,-0.2 3,-0.7 0.577 78.9 96.0 -96.5 -15.7 65.7 71.7 32.9 91 176 A V H <> S+ 0 0 38 -3,-0.8 4,-2.0 -4,-0.4 5,-0.2 0.854 82.5 49.9 -43.4 -50.6 62.2 70.6 33.6 92 177 A S H 3> S+ 0 0 56 -4,-0.3 4,-2.0 1,-0.2 -1,-0.3 0.888 109.7 53.3 -57.9 -41.3 63.1 67.8 36.1 93 178 A G H <> S+ 0 0 0 -3,-0.7 4,-3.1 -4,-0.2 -1,-0.2 0.878 107.6 49.0 -62.5 -42.7 65.3 70.3 38.0 94 179 A L H X S+ 0 0 1 -4,-1.9 4,-2.7 2,-0.2 5,-0.2 0.936 110.8 48.8 -63.8 -48.1 62.6 72.9 38.5 95 180 A A H X S+ 0 0 14 -4,-2.0 4,-2.5 2,-0.2 5,-0.2 0.917 113.8 49.1 -58.6 -41.7 60.0 70.3 39.7 96 181 A D H X S+ 0 0 0 -4,-2.0 4,-2.1 -5,-0.2 -2,-0.2 0.974 113.6 44.7 -61.4 -54.6 62.6 69.1 42.1 97 182 A A H <>S+ 0 0 0 -4,-3.1 5,-3.1 1,-0.2 -2,-0.2 0.777 113.5 51.6 -61.8 -27.8 63.5 72.6 43.3 98 183 A L H ><5S+ 0 0 54 -4,-2.7 3,-0.9 35,-0.3 -1,-0.2 0.904 110.8 46.4 -76.9 -41.1 59.8 73.5 43.6 99 184 A L H 3<5S+ 0 0 68 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.850 118.4 40.8 -69.1 -36.1 58.9 70.5 45.7 100 185 A D T 3<5S- 0 0 18 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.167 112.3-120.2 -97.5 18.3 61.9 70.9 48.1 101 186 A S T < 5 + 0 0 35 -3,-0.9 62,-0.2 1,-0.2 -3,-0.2 0.923 49.5 171.2 40.4 72.6 61.4 74.7 48.1 102 187 A V < - 0 0 4 -5,-3.1 2,-0.2 59,-0.1 -1,-0.2 -0.939 38.7-116.0-117.9 128.0 64.8 75.6 46.7 103 188 A P + 0 0 20 0, 0.0 -26,-2.2 0, 0.0 2,-0.3 -0.406 53.1 155.5 -59.4 120.0 66.0 79.1 45.7 104 189 A L E -de 77 164C 1 59,-1.4 61,-1.9 -28,-0.2 2,-0.4 -0.994 32.1-164.3-153.2 142.6 66.6 78.9 41.9 105 190 A V E -de 78 165C 0 -28,-3.2 -26,-1.9 -2,-0.3 2,-0.5 -0.970 11.8-168.8-132.1 117.4 66.7 81.1 38.9 106 191 A A E -de 79 166C 1 59,-2.1 61,-3.5 -2,-0.4 2,-0.6 -0.916 4.1-164.4-110.2 125.2 66.6 79.6 35.5 107 192 A I E -de 80 167C 0 -28,-2.5 -26,-2.5 -2,-0.5 2,-0.4 -0.927 10.3-177.6-110.8 115.2 67.3 81.7 32.4 108 193 A T E -de 81 168C 0 59,-1.9 61,-2.5 -2,-0.6 2,-0.3 -0.917 23.2-130.0-112.2 136.9 66.3 80.1 29.1 109 194 A G E - e 0 169C 0 -28,-2.1 2,-0.3 -2,-0.4 -71,-0.2 -0.640 27.6-160.6 -82.6 143.3 66.9 81.8 25.7 110 195 A Q E - e 0 170C 6 59,-2.4 61,-2.1 -73,-0.3 3,-0.1 -0.774 23.9 -93.5-120.9 166.8 63.9 81.9 23.5 111 196 A V - 0 0 10 -2,-0.3 5,-0.1 59,-0.2 -1,-0.1 -0.354 66.7 -68.4 -71.8 159.6 63.3 82.4 19.7 112 197 A P >> - 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0 0 109 -2,-0.5 -15,-0.2 -3,-0.1 -5,-0.0 -0.511 29.6-141.9 -68.0 116.5 44.2 70.6 61.2 322 407 A P - 0 0 32 0, 0.0 -15,-0.2 0, 0.0 3,-0.2 -0.282 14.4-143.2 -76.0 162.5 46.3 72.3 64.0 323 408 A H S S+ 0 0 124 -17,-2.8 2,-0.4 1,-0.4 -16,-0.2 0.835 96.4 15.1 -88.1 -43.1 45.1 73.4 67.4 324 409 A V E S-k 307 0D 10 -18,-1.7 -16,-2.2 2,-0.0 -1,-0.4 -0.992 77.6-176.2-131.9 136.0 47.3 76.5 67.3 325 410 A S E -k 308 0D 54 -2,-0.4 2,-0.4 -18,-0.2 -16,-0.2 -0.940 12.6-163.9-133.9 156.6 48.9 77.8 64.1 326 411 A V E -k 309 0D 9 -18,-2.1 -16,-2.2 -2,-0.3 2,-1.0 -0.926 9.1-155.0-143.4 113.6 51.3 80.6 63.3 327 412 A C E +k 310 0D 56 -2,-0.4 2,-0.3 -18,-0.2 -130,-0.3 -0.796 59.3 73.6 -90.8 104.5 51.8 81.9 59.8 328 413 A G S S- 0 0 1 -18,-1.6 2,-0.4 -2,-1.0 -16,-0.1 -0.983 89.1 -39.1 175.4-177.4 55.3 83.4 59.8 329 414 A D > - 0 0 61 -2,-0.3 4,-2.2 1,-0.2 3,-0.2 -0.532 42.7-147.0 -69.8 123.0 59.0 82.9 59.9 330 415 A V H > S+ 0 0 8 -2,-0.4 4,-2.6 -106,-0.2 -1,-0.2 0.807 97.1 59.9 -61.2 -30.2 59.9 80.0 62.2 331 416 A K H > S+ 0 0 61 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.932 106.8 45.0 -64.5 -45.5 63.2 81.8 63.1 332 417 A L H > S+ 0 0 62 -3,-0.2 4,-2.7 2,-0.2 -2,-0.2 0.943 112.2 52.1 -63.1 -46.7 61.3 84.8 64.5 333 418 A A H X S+ 0 0 0 -4,-2.2 4,-2.9 1,-0.2 5,-0.3 0.937 110.3 49.7 -54.0 -48.6 58.8 82.6 66.3 334 419 A L H X S+ 0 0 0 -4,-2.6 4,-1.9 1,-0.2 -1,-0.2 0.929 109.8 48.4 -58.1 -50.0 61.7 80.7 67.9 335 420 A Q H X S+ 0 0 80 -4,-2.5 4,-1.7 2,-0.2 -1,-0.2 0.923 114.7 48.7 -57.4 -42.8 63.5 83.9 69.1 336 421 A G H >X S+ 0 0 17 -4,-2.7 4,-1.6 1,-0.2 3,-1.0 0.991 111.7 44.6 -59.8 -64.8 60.3 85.1 70.5 337 422 A M H 3X S+ 0 0 0 -4,-2.9 4,-2.1 1,-0.3 -1,-0.2 0.773 108.9 62.0 -52.7 -26.0 59.3 82.0 72.4 338 423 A N H 3X S+ 0 0 9 -4,-1.9 4,-1.1 -5,-0.3 -1,-0.3 0.925 100.8 50.4 -68.2 -42.3 62.8 81.8 73.6 339 424 A K H > S+ 0 0 43 -3,-0.4 4,-3.1 2,-0.2 3,-0.5 0.982 75.1 36.4 -54.0 -72.6 61.8 80.4 83.3 346 431 A E H 34 S+ 0 0 95 -3,-0.5 -1,-0.2 1,-0.3 -2,-0.1 0.865 116.0 56.8 -50.4 -42.8 61.5 79.8 87.0 347 432 A E H 34 S+ 0 0 137 -4,-0.3 -1,-0.3 1,-0.2 -2,-0.2 0.907 115.4 36.7 -57.4 -44.2 57.8 80.4 86.9 348 433 A L H << S- 0 0 28 -4,-2.4 -2,-0.2 -3,-0.5 -1,-0.2 0.959 79.5-172.4 -74.5 -54.0 57.3 77.6 84.3 349 434 A K < - 0 0 75 -4,-3.1 2,-0.3 -5,-0.2 -3,-0.1 0.989 18.4-154.6 54.3 67.1 59.9 75.2 85.6 350 435 A L + 0 0 46 -112,-0.2 2,-0.4 -5,-0.2 -1,-0.2 -0.555 19.9 174.7 -77.7 134.1 59.6 72.8 82.7 351 436 A D + 0 0 119 -2,-0.3 3,-0.1 -139,-0.1 4,-0.1 -0.941 18.1 159.7-144.1 117.9 60.5 69.2 83.2 352 437 A F > + 0 0 6 -2,-0.4 4,-3.0 1,-0.1 5,-0.2 0.056 38.9 119.6-123.5 22.4 60.1 66.4 80.7 353 438 A G H > S+ 0 0 17 1,-0.2 4,-1.8 2,-0.2 5,-0.2 0.849 75.2 55.1 -56.6 -36.1 62.5 63.9 82.1 354 439 A V H > S+ 0 0 114 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.918 111.8 43.1 -63.4 -44.4 59.7 61.4 82.5 355 440 A W H > S+ 0 0 3 -140,-0.3 4,-2.1 2,-0.2 5,-0.2 0.949 111.2 54.3 -64.9 -51.8 58.8 61.6 78.9 356 441 A R H X S+ 0 0 81 -4,-3.0 4,-2.7 1,-0.2 -1,-0.2 0.814 110.6 47.5 -53.5 -34.1 62.4 61.6 77.8 357 442 A N H X S+ 0 0 103 -4,-1.8 4,-1.2 -5,-0.2 -1,-0.2 0.903 106.0 56.1 -75.7 -41.6 62.9 58.3 79.7 358 443 A E H X S+ 0 0 57 -4,-2.0 4,-0.9 1,-0.2 -2,-0.2 0.868 116.9 38.7 -56.0 -36.3 59.8 56.7 78.3 359 444 A L H X S+ 0 0 5 -4,-2.1 4,-3.0 2,-0.2 3,-0.3 0.888 106.3 63.0 -80.0 -43.5 61.3 57.4 74.9 360 445 A N H X S+ 0 0 70 -4,-2.7 4,-0.6 1,-0.3 -2,-0.2 0.693 101.6 56.6 -56.4 -17.6 64.9 56.6 75.9 361 446 A V H >X S+ 0 0 78 -4,-1.2 4,-1.8 2,-0.2 3,-0.6 0.931 109.3 41.6 -77.5 -50.1 63.5 53.1 76.5 362 447 A Q H 3X S+ 0 0 28 -4,-0.9 4,-2.4 -3,-0.3 -2,-0.2 0.861 109.7 60.6 -64.0 -36.4 62.1 52.7 73.0 363 448 A K H 3< S+ 0 0 53 -4,-3.0 -1,-0.2 1,-0.2 -2,-0.2 0.791 113.9 35.7 -62.0 -28.8 65.3 54.3 71.7 364 449 A Q H << S+ 0 0 148 -3,-0.6 -1,-0.2 -4,-0.6 -2,-0.2 0.666 116.0 53.8 -97.2 -21.9 67.3 51.4 73.3 365 450 A K H < S+ 0 0 136 -4,-1.8 -2,-0.2 1,-0.2 -3,-0.2 0.732 125.7 22.6 -83.3 -24.6 64.7 48.7 72.6 366 451 A F S < S+ 0 0 70 -4,-2.4 -96,-0.6 -5,-0.2 -95,-0.5 -0.424 82.7 162.4-140.4 63.1 64.6 49.6 68.9 367 452 A P - 0 0 70 0, 0.0 2,-0.2 0, 0.0 -3,-0.1 -0.341 53.0 -81.2 -79.7 165.0 67.8 51.3 67.8 368 453 A L + 0 0 43 -5,-0.1 2,-0.3 41,-0.1 -99,-0.0 -0.476 63.4 175.1 -64.5 130.0 69.0 51.7 64.2 369 454 A S - 0 0 88 -2,-0.2 2,-0.3 194,-0.2 194,-0.2 -0.907 22.4-173.4-138.3 165.4 70.7 48.4 63.3 370 455 A F - 0 0 49 -2,-0.3 2,-0.3 10,-0.0 190,-0.0 -0.976 22.6-124.7-155.9 148.9 72.3 46.6 60.4 371 456 A K - 0 0 143 -2,-0.3 2,-0.5 2,-0.0 9,-0.1 -0.744 13.2-147.0-102.1 147.8 73.6 43.1 59.9 372 457 A T - 0 0 53 -2,-0.3 2,-0.5 6,-0.1 5,-0.1 -0.946 10.4-160.5-113.4 129.8 77.0 42.1 58.7 373 458 A F > - 0 0 53 -2,-0.5 3,-1.9 3,-0.2 -2,-0.0 -0.950 51.3 -59.9-116.2 122.1 77.5 38.9 56.6 374 459 A G T 3 S- 0 0 73 -2,-0.5 0, 0.0 1,-0.3 0, 0.0 -0.156 109.6 -31.4 46.1-130.4 80.9 37.3 56.4 375 460 A E T 3 S+ 0 0 93 2,-0.1 158,-3.3 -3,-0.1 159,-0.3 0.374 102.6 126.2 -99.7 3.8 83.3 39.8 54.9 376 461 A A < - 0 0 33 -3,-1.9 -3,-0.2 156,-0.2 156,-0.1 -0.211 66.8-110.4 -60.0 151.0 80.7 41.6 52.7 377 462 A I - 0 0 1 178,-0.5 -1,-0.1 154,-0.5 3,-0.1 -0.752 22.3-142.4 -89.9 124.3 80.5 45.3 53.2 378 463 A P > - 0 0 3 0, 0.0 4,-2.3 0, 0.0 5,-0.2 -0.754 9.6-141.6 -85.2 119.3 77.4 46.6 54.9 379 464 A P H > S+ 0 0 1 0, 0.0 4,-2.1 0, 0.0 5,-0.2 0.882 102.3 53.6 -46.6 -40.6 76.3 49.9 53.2 380 465 A Q H > S+ 0 0 5 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.961 107.7 49.4 -59.0 -51.7 75.3 51.3 56.6 381 466 A Y H > S+ 0 0 61 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.911 107.6 55.3 -53.5 -47.4 78.7 50.5 58.1 382 467 A A H X S+ 0 0 0 -4,-2.3 4,-1.5 1,-0.2 -1,-0.2 0.918 108.8 47.2 -51.8 -50.4 80.5 52.1 55.2 383 468 A I H X S+ 0 0 0 -4,-2.1 4,-2.6 1,-0.2 3,-0.5 0.939 111.2 51.3 -58.6 -48.4 78.5 55.4 55.8 384 469 A K H X S+ 0 0 97 -4,-2.5 4,-2.4 1,-0.3 -2,-0.2 0.889 107.7 52.7 -56.1 -42.7 79.3 55.2 59.5 385 470 A V H X S+ 0 0 2 -4,-2.8 4,-2.5 1,-0.2 -1,-0.3 0.826 110.3 49.5 -63.2 -30.7 83.0 54.8 58.7 386 471 A L H X S+ 0 0 0 -4,-1.5 4,-2.1 -3,-0.5 6,-0.3 0.906 107.1 51.9 -74.1 -43.7 82.7 57.9 56.5 387 472 A D H <>S+ 0 0 24 -4,-2.6 5,-2.2 23,-0.3 4,-0.5 0.934 113.8 48.5 -55.5 -44.2 81.0 59.9 59.3 388 473 A E H ><5S+ 0 0 102 -4,-2.4 3,-1.3 1,-0.2 -2,-0.2 0.968 112.5 43.4 -59.3 -61.4 83.9 58.9 61.5 389 474 A L H 3<5S+ 0 0 35 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.730 119.3 43.6 -61.8 -24.9 86.8 59.7 59.1 390 475 A T T ><5S- 0 0 7 -4,-2.1 3,-1.7 -5,-0.1 -1,-0.3 0.438 105.9-128.7 -99.1 -1.1 85.2 63.0 58.1 391 476 A D T < 5 - 0 0 95 -3,-1.3 -3,-0.2 -4,-0.5 -4,-0.1 0.820 60.7 -69.6 57.7 34.5 84.3 63.8 61.7 392 477 A G T 3 > S- 0 0 7 -2,-0.4 4,-1.7 1,-0.2 3,-0.6 -0.941 105.0 -29.0 139.6-159.6 66.9 54.8 46.8 402 487 A Q H >> S+ 0 0 6 -2,-0.3 4,-2.4 1,-0.3 3,-0.5 0.955 133.0 54.5 -55.2 -55.1 68.1 52.6 49.7 403 488 A H H 3> S+ 0 0 13 1,-0.3 4,-1.9 2,-0.2 -1,-0.3 0.757 105.7 57.0 -50.8 -28.3 71.6 54.2 49.7 404 489 A Q H <> S+ 0 0 14 -3,-0.6 4,-1.4 2,-0.2 -1,-0.3 0.928 106.5 46.0 -71.4 -45.7 69.8 57.5 50.1 405 490 A M H S- 0 0 118 1,-0.1 3,-0.6 -162,-0.1 -163,-0.2 -0.893 82.2 -94.3-141.8 168.1 74.3 71.7 60.6 416 501 A P T 3 S+ 0 0 14 0, 0.0 -165,-0.1 0, 0.0 -1,-0.1 -0.133 104.9 51.2 -72.8-176.3 71.8 72.2 57.8 417 502 A R T 3 S+ 0 0 64 2,-0.3 3,-0.1 1,-0.1 -166,-0.1 0.622 93.4 87.7 61.8 8.5 73.2 72.9 54.2 418 503 A Q S < S+ 0 0 16 -3,-0.6 -22,-3.1 -168,-0.2 2,-0.6 0.569 79.3 59.1-108.2 -20.1 75.3 69.8 54.9 419 504 A W E -m 396 0E 18 -169,-0.3 2,-0.6 -24,-0.2 -2,-0.3 -0.956 63.7-179.9-116.6 112.1 72.7 67.3 53.7 420 505 A L E +m 397 0E 0 -24,-3.1 -22,-1.6 -2,-0.6 2,-0.3 -0.886 20.3 147.0-117.0 97.4 71.6 67.8 50.1 421 506 A S - 0 0 0 -2,-0.6 2,-0.9 -24,-0.2 -22,-0.1 -0.982 51.4-118.6-135.6 146.8 69.0 65.3 49.0 422 507 A S + 0 0 1 -24,-0.4 8,-0.1 -2,-0.3 9,-0.1 -0.723 47.7 154.1 -81.5 106.4 66.0 65.2 46.6 423 508 A G + 0 0 30 -2,-0.9 -1,-0.2 -327,-0.1 -176,-0.1 0.807 60.5 44.9-107.3 -38.0 63.1 64.5 48.9 424 509 A G S S+ 0 0 28 -328,-0.2 -328,-0.1 1,-0.1 -2,-0.1 0.899 133.1 16.7 -76.4 -43.9 59.9 65.8 47.5 425 510 A L S S- 0 0 74 -329,-0.2 -1,-0.1 2,-0.1 -329,-0.1 0.692 91.3-146.7 -98.3 -28.2 60.2 64.7 43.9 426 511 A G - 0 0 26 1,-0.2 2,-0.5 -330,-0.1 -3,-0.1 0.961 22.2-169.2 58.6 55.5 63.0 62.2 44.6 427 512 A A > - 0 0 14 -335,-0.1 3,-0.9 -28,-0.1 -5,-0.2 -0.656 13.7-136.3 -83.3 120.5 64.8 62.6 41.3 428 513 A M T 3 S+ 0 0 51 -2,-0.5 -29,-0.1 1,-0.2 27,-0.1 -0.374 87.8 40.4 -69.9 154.0 67.5 60.0 40.6 429 514 A G T 3 S+ 0 0 0 -29,-0.1 -1,-0.2 23,-0.1 5,-0.1 0.540 81.5 114.7 83.7 6.7 70.8 61.3 39.2 430 515 A F <> + 0 0 0 -3,-0.9 4,-2.5 2,-0.1 5,-0.2 0.932 59.2 69.9 -70.3 -49.2 70.6 64.3 41.5 431 516 A G H > S+ 0 0 0 -33,-0.4 4,-2.1 1,-0.2 5,-0.2 0.808 95.5 41.1 -36.2 -71.1 73.7 63.3 43.5 432 517 A L H > S+ 0 0 1 1,-0.2 4,-1.5 2,-0.2 3,-0.2 0.946 119.4 45.3 -53.0 -53.5 76.8 63.8 41.4 433 518 A P H > S+ 0 0 0 0, 0.0 4,-2.1 0, 0.0 3,-0.4 0.917 111.6 53.6 -55.6 -46.8 75.6 67.1 39.9 434 519 A A H X S+ 0 0 0 -4,-2.5 4,-2.2 1,-0.3 -2,-0.2 0.854 105.2 54.0 -57.3 -38.6 74.5 68.4 43.3 435 520 A A H X S+ 0 0 0 -4,-2.1 4,-2.9 -3,-0.2 -1,-0.3 0.845 105.3 54.1 -65.8 -33.9 78.0 67.6 44.6 436 521 A I H X S+ 0 0 3 -4,-1.5 4,-2.1 -3,-0.4 -2,-0.2 0.941 109.4 47.9 -64.4 -45.0 79.4 69.7 41.8 437 522 A G H X S+ 0 0 0 -4,-2.1 4,-1.8 1,-0.2 -2,-0.2 0.873 113.0 48.3 -62.1 -38.7 77.2 72.6 42.9 438 523 A A H X S+ 0 0 0 -4,-2.2 4,-1.9 2,-0.2 -2,-0.2 0.929 109.1 52.4 -67.5 -47.4 78.2 72.1 46.5 439 524 A S H < S+ 0 0 3 -4,-2.9 -2,-0.2 1,-0.2 -1,-0.2 0.884 111.2 46.1 -60.1 -39.7 81.9 72.0 45.7 440 525 A V H < S+ 0 0 14 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.912 115.3 46.8 -69.5 -39.6 81.8 75.3 43.8 441 526 A A H < S+ 0 0 13 -4,-1.8 -2,-0.2 1,-0.3 -1,-0.2 0.732 125.4 32.6 -72.7 -20.8 79.8 76.9 46.6 442 527 A N >< + 0 0 48 -4,-1.9 3,-1.2 1,-0.1 -1,-0.3 -0.600 68.8 170.9-138.8 75.2 82.1 75.5 49.2 443 528 A P T 3 S+ 0 0 81 0, 0.0 2,-0.4 0, 0.0 -1,-0.1 0.866 78.9 47.3 -49.7 -50.2 85.7 75.3 47.7 444 529 A D T 3 S+ 0 0 166 2,-0.1 2,-0.3 0, 0.0 -5,-0.0 -0.211 97.8 96.5 -92.3 43.2 87.4 74.5 51.0 445 530 A A S < S- 0 0 32 -3,-1.2 2,-0.7 -2,-0.4 -51,-0.1 -0.950 78.8-109.2-134.8 154.3 85.0 71.7 52.1 446 531 A I - 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