==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=8-MAY-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 14-OCT-09 3K8T . COMPND 2 MOLECULE: RIBONUCLEOSIDE-DIPHOSPHATE REDUCTASE LARGE CHAIN . SOURCE 2 ORGANISM_SCIENTIFIC: SACCHAROMYCES CEREVISIAE; . AUTHOR D.SUN,H.XU,C.DEALWIS,R.E.LEE . 640 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 25175.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 444 69.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 35 5.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 32 5.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 3 0.5 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 . 3 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-1), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+0), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+1), SAME NUMBER PER 100 RESIDUES . 30 4.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 77 12.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 226 35.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 14 2.2 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 2 2 3 0 3 3 2 1 2 2 2 2 0 0 0 0 0 1 0 0 0 0 0 0 0 1 0 RESIDUES PER ALPHA HELIX . 2 1 0 2 3 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 . 3 4 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 ANTIPARALLEL BRIDGES PER LADDER . 5 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 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 90 A T 0 0 86 0, 0.0 2,-0.2 0, 0.0 74,-0.1 0.000 360.0 360.0 360.0 140.1 39.1 75.5 16.6 2 91 A T - 0 0 62 73,-0.3 75,-0.2 1,-0.1 6,-0.0 -0.530 360.0-148.3 -67.5 143.1 40.6 76.6 19.9 3 92 A K + 0 0 121 -2,-0.2 2,-0.4 73,-0.1 -1,-0.1 0.908 69.1 86.2 -86.0 -44.9 43.4 74.2 20.9 4 93 A Q >> - 0 0 110 1,-0.1 4,-2.0 2,-0.1 3,-0.9 -0.455 67.9-147.1 -70.3 116.4 43.3 74.2 24.7 5 94 A F H 3> S+ 0 0 2 -2,-0.4 4,-2.9 1,-0.3 5,-0.2 0.872 97.4 53.9 -46.1 -49.2 40.8 71.6 26.0 6 95 A S H 3> S+ 0 0 11 1,-0.2 4,-1.8 2,-0.2 -1,-0.3 0.832 109.4 48.4 -63.0 -32.1 39.8 73.7 29.0 7 96 A K H <> S+ 0 0 104 -3,-0.9 4,-2.1 2,-0.2 -1,-0.2 0.833 110.8 51.1 -75.6 -32.2 39.1 76.7 26.8 8 97 A V H X S+ 0 0 4 -4,-2.0 4,-2.0 2,-0.2 -2,-0.2 0.926 110.6 48.9 -67.2 -43.5 37.0 74.5 24.5 9 98 A V H X S+ 0 0 3 -4,-2.9 4,-2.6 1,-0.2 -2,-0.2 0.883 110.7 51.8 -60.8 -40.0 35.1 73.1 27.5 10 99 A E H X S+ 0 0 42 -4,-1.8 4,-2.5 2,-0.2 -2,-0.2 0.929 109.1 48.8 -60.2 -50.5 34.5 76.8 28.7 11 100 A D H < S+ 0 0 60 -4,-2.1 4,-0.2 1,-0.2 -1,-0.2 0.896 114.5 46.4 -57.4 -41.7 33.1 77.8 25.3 12 101 A L H >< S+ 0 0 1 -4,-2.0 14,-2.2 1,-0.2 3,-0.9 0.904 113.3 47.5 -69.0 -45.4 30.8 74.9 25.3 13 102 A Y H 3< S+ 0 0 41 -4,-2.6 -2,-0.2 12,-0.3 -1,-0.2 0.850 114.3 47.1 -62.5 -38.1 29.6 75.3 28.9 14 103 A R T 3< S+ 0 0 141 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.380 83.0 138.0 -88.7 4.8 29.0 79.0 28.4 15 104 A Y < - 0 0 41 -3,-0.9 9,-2.2 -4,-0.2 2,-0.4 -0.265 32.6-168.2 -59.3 135.3 27.1 78.6 25.1 16 105 A V E -A 23 0A 69 7,-0.3 2,-1.0 8,-0.1 -2,-0.1 -0.997 27.8-120.3-122.7 131.5 24.0 80.7 24.6 17 106 A N E >>> -A 22 0A 61 5,-3.1 4,-3.0 -2,-0.4 5,-0.9 -0.559 27.0-161.7 -69.4 102.3 21.4 80.2 21.9 18 107 A A T 345S+ 0 0 85 -2,-1.0 -1,-0.2 1,-0.2 -3,-0.0 0.755 82.6 59.1 -60.8 -29.0 21.6 83.6 20.2 19 108 A A T 345S+ 0 0 105 1,-0.2 -1,-0.2 3,-0.1 -2,-0.1 0.811 124.6 20.4 -75.0 -29.6 18.3 83.4 18.3 20 109 A T T <45S- 0 0 91 -3,-0.8 -2,-0.2 2,-0.1 -1,-0.2 0.564 97.5-125.8-111.1 -14.5 16.4 83.0 21.6 21 110 A G T <5 + 0 0 53 -4,-3.0 -3,-0.2 1,-0.3 -2,-0.0 0.663 61.6 143.4 74.6 17.7 18.9 84.4 24.2 22 111 A K E < -A 17 0A 143 -5,-0.9 -5,-3.1 2,-0.0 -1,-0.3 -0.779 57.0-119.4 -95.4 127.6 18.6 81.1 26.2 23 112 A P E -A 16 0A 89 0, 0.0 -7,-0.3 0, 0.0 -8,-0.1 -0.508 33.3-179.0 -63.9 129.6 21.7 79.7 27.9 24 113 A A - 0 0 32 -9,-2.2 -9,-0.1 -2,-0.2 -8,-0.1 -0.583 7.8-165.6-134.1 64.7 22.2 76.3 26.3 25 114 A P - 0 0 53 0, 0.0 -12,-0.3 0, 0.0 -11,-0.1 -0.292 9.0-163.7 -60.8 137.7 25.3 74.8 28.1 26 115 A M S S+ 0 0 43 -14,-2.2 2,-0.3 -17,-0.2 -13,-0.2 0.265 71.6 63.7-109.9 8.5 26.7 71.8 26.2 27 116 A I S S- 0 0 1 -15,-0.3 94,-0.3 94,-0.2 2,-0.1 -0.961 89.2-111.4-125.2 143.7 28.7 70.4 29.0 28 117 A S > - 0 0 18 92,-2.6 4,-2.4 -2,-0.3 5,-0.2 -0.411 23.7-117.0 -70.7 150.6 27.3 69.2 32.4 29 118 A D H > S+ 0 0 105 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.912 115.4 53.6 -47.3 -46.3 27.8 71.1 35.6 30 119 A D H > S+ 0 0 63 2,-0.2 4,-1.4 1,-0.2 -1,-0.2 0.932 109.7 41.5 -61.0 -54.5 29.7 68.0 36.8 31 120 A V H > S+ 0 0 2 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.894 112.9 55.9 -66.3 -35.1 32.2 67.6 34.0 32 121 A Y H X S+ 0 0 19 -4,-2.4 4,-2.6 1,-0.2 5,-0.2 0.944 107.6 48.3 -58.0 -48.8 32.9 71.3 33.8 33 122 A N H X S+ 0 0 70 -4,-2.1 4,-1.2 -5,-0.2 -1,-0.2 0.814 112.0 50.4 -63.3 -32.4 33.8 71.5 37.5 34 123 A I H X S+ 0 0 0 -4,-1.4 4,-0.9 2,-0.2 -1,-0.2 0.931 110.9 47.0 -71.0 -47.3 36.1 68.5 37.1 35 124 A V H >< S+ 0 0 0 -4,-2.7 3,-0.9 1,-0.2 7,-0.2 0.930 113.4 49.2 -59.7 -45.9 37.9 70.0 34.1 36 125 A M H >< S+ 0 0 35 -4,-2.6 3,-0.5 1,-0.3 -1,-0.2 0.808 110.6 50.9 -67.2 -28.5 38.3 73.3 35.9 37 126 A E H 3< S+ 0 0 109 -4,-1.2 -1,-0.3 1,-0.2 -2,-0.2 0.620 125.2 26.5 -81.8 -13.2 39.6 71.5 39.0 38 127 A N T S+ 0 0 88 -3,-0.5 4,-2.7 1,-0.2 -33,-0.2 0.805 71.0 48.5 -70.2 -33.3 42.9 71.8 33.9 40 129 A D H > S+ 0 0 131 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.965 115.1 45.5 -65.4 -51.5 46.7 71.6 33.8 41 130 A K H 4 S+ 0 0 94 1,-0.2 4,-0.5 2,-0.2 -2,-0.2 0.844 119.6 41.4 -58.0 -39.5 46.8 67.8 34.1 42 131 A L H >X S+ 0 0 0 -4,-2.1 4,-0.9 -7,-0.2 3,-0.7 0.926 113.3 51.0 -78.5 -46.0 44.0 67.4 31.6 43 132 A N H 3< S+ 0 0 23 -4,-2.7 3,-0.3 1,-0.2 -38,-0.2 0.877 114.4 44.0 -60.2 -40.0 45.2 70.0 29.1 44 133 A S T 3< S+ 0 0 100 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.535 102.3 67.7 -85.1 -10.3 48.7 68.5 28.9 45 134 A A T <4 S+ 0 0 24 -3,-0.7 2,-0.3 -4,-0.5 -1,-0.2 0.786 79.8 94.5 -75.2 -30.8 47.6 64.9 28.8 46 135 A I < - 0 0 12 -4,-0.9 2,-0.8 -3,-0.3 34,-0.0 -0.482 62.4-156.3 -70.3 127.7 46.1 65.3 25.3 47 136 A V > - 0 0 53 -2,-0.3 3,-1.9 1,-0.1 4,-0.1 -0.866 6.3-168.9-101.8 95.3 48.4 64.4 22.4 48 137 A Y G > S+ 0 0 40 -2,-0.8 3,-0.9 1,-0.3 -1,-0.1 0.528 77.0 77.0 -66.9 -5.8 47.0 66.5 19.5 49 138 A D G > S+ 0 0 120 1,-0.2 3,-0.9 2,-0.1 -1,-0.3 0.559 78.6 76.1 -77.8 -8.8 49.1 64.6 17.0 50 139 A R G X + 0 0 41 -3,-1.9 3,-1.4 1,-0.2 -1,-0.2 0.481 67.2 83.2 -85.5 -6.2 46.6 61.7 17.3 51 140 A D G X S+ 0 0 27 -3,-0.9 3,-0.6 1,-0.3 -1,-0.2 0.613 84.6 65.9 -68.1 -10.6 44.0 63.4 15.2 52 141 A F G < S+ 0 0 176 -3,-0.9 -1,-0.3 1,-0.2 -2,-0.1 -0.054 76.5 82.5 -97.5 26.8 46.1 61.9 12.4 53 142 A Q G < S+ 0 0 77 -3,-1.4 -1,-0.2 52,-0.1 -2,-0.1 0.458 87.6 71.9 -89.9 -13.6 45.1 58.4 13.6 54 143 A Y S < S- 0 0 33 -3,-0.6 2,-0.2 -4,-0.1 466,-0.1 -0.414 74.5-136.4-101.1 175.8 42.0 59.0 11.5 55 144 A S > - 0 0 38 464,-0.4 4,-3.2 -2,-0.1 5,-0.4 -0.661 35.9 -82.1-126.5 178.0 41.4 59.1 7.7 56 145 A Y H > S+ 0 0 156 1,-0.2 4,-2.1 -2,-0.2 5,-0.1 0.920 128.9 32.4 -46.5 -57.9 39.5 61.1 5.1 57 146 A F H 4 S+ 0 0 77 1,-0.2 -1,-0.2 2,-0.2 464,-0.1 0.606 119.5 54.6 -79.4 -16.6 36.1 59.5 5.6 58 147 A G H > S+ 0 0 0 -3,-0.4 4,-1.3 2,-0.2 -2,-0.2 0.837 112.9 39.5 -88.1 -39.5 36.7 58.8 9.3 59 148 A F H X S+ 0 0 76 -4,-3.2 4,-3.3 2,-0.2 3,-0.4 0.946 115.4 52.1 -69.4 -51.5 37.5 62.4 10.3 60 149 A K H < S+ 0 0 129 -4,-2.1 4,-0.4 -5,-0.4 -1,-0.2 0.546 107.2 56.8 -63.8 -8.1 34.7 63.7 8.0 61 150 A T H > S+ 0 0 22 2,-0.1 4,-1.1 3,-0.1 5,-0.3 0.849 112.3 38.5 -80.2 -47.2 32.5 61.2 9.8 62 151 A L H X>S+ 0 0 6 -4,-1.3 4,-2.7 -3,-0.4 5,-2.5 0.927 115.8 51.4 -68.9 -48.5 33.3 62.8 13.2 63 152 A E H <5S+ 0 0 49 -4,-3.3 -1,-0.2 1,-0.2 -3,-0.2 0.811 110.4 51.5 -57.9 -33.3 33.3 66.3 12.0 64 153 A R H 45S- 0 0 176 -4,-0.4 -1,-0.2 -5,-0.3 -2,-0.2 0.728 134.5 -5.6 -82.7 -26.5 29.9 65.8 10.4 65 154 A S H <5S+ 0 0 54 -4,-1.1 -2,-0.2 -3,-0.4 -3,-0.2 0.514 127.8 47.5-149.8 0.0 27.9 64.4 13.3 66 155 A Y T <5S+ 0 0 10 -4,-2.7 2,-0.4 -5,-0.3 -3,-0.2 0.787 84.5 82.9-110.9 -44.4 30.0 63.7 16.5 67 156 A L S S-B 73 0B 37 3,-3.4 3,-2.0 -2,-0.3 -58,-0.0 -0.994 86.4 -18.1-116.6 120.2 28.8 76.1 18.2 71 160 A N T 3 S- 0 0 122 -2,-0.5 3,-0.1 1,-0.3 -1,-0.1 0.763 129.4 -52.0 58.6 29.9 26.6 78.2 15.8 72 161 A G T 3 S+ 0 0 57 1,-0.3 2,-0.5 0, 0.0 -1,-0.3 0.425 118.2 110.7 85.4 -1.3 27.0 75.5 13.1 73 162 A Q E < S-B 70 0B 141 -3,-2.0 -3,-3.4 1,-0.0 -1,-0.3 -0.917 78.6-107.3-105.1 134.9 30.8 75.6 13.4 74 163 A V E +B 69 0B 25 -2,-0.5 -5,-0.3 -5,-0.3 -6,-0.1 -0.367 35.0 178.8 -54.9 126.4 32.7 72.6 14.9 75 164 A A + 0 0 16 -7,-3.0 2,-0.4 -2,-0.1 -73,-0.3 0.578 56.5 74.3-106.6 -17.9 34.0 73.5 18.3 76 165 A E - 0 0 3 -8,-1.2 -9,-0.1 -75,-0.1 -73,-0.1 -0.852 61.9-151.9-105.9 132.1 35.6 70.2 19.2 77 166 A R >> - 0 0 70 -2,-0.4 4,-2.3 -75,-0.2 3,-0.8 -0.640 40.6-106.3 -79.2 154.1 38.8 68.6 18.0 78 167 A P H 3> S+ 0 0 5 0, 0.0 4,-2.3 0, 0.0 5,-0.1 0.844 122.1 53.4 -52.1 -40.4 38.7 64.8 18.1 79 168 A Q H 3> S+ 0 0 0 2,-0.2 4,-1.8 1,-0.2 5,-0.2 0.829 107.1 53.0 -65.3 -32.6 41.0 64.6 21.1 80 169 A H H <> S+ 0 0 0 -3,-0.8 4,-2.7 2,-0.2 5,-0.2 0.946 108.1 50.5 -65.8 -48.5 38.6 67.0 22.8 81 170 A L H X S+ 0 0 6 -4,-2.3 4,-2.7 1,-0.2 -2,-0.2 0.944 111.1 48.5 -47.5 -54.1 35.7 64.7 22.1 82 171 A I H X S+ 0 0 7 -4,-2.3 4,-2.3 1,-0.2 -1,-0.2 0.850 113.5 45.6 -61.4 -37.3 37.7 61.7 23.5 83 172 A M H X S+ 0 0 0 -4,-1.8 4,-2.0 2,-0.2 -1,-0.2 0.853 111.3 53.4 -78.4 -34.9 38.6 63.5 26.7 84 173 A R H X S+ 0 0 2 -4,-2.7 4,-2.4 2,-0.2 -2,-0.2 0.922 112.7 44.0 -59.2 -45.0 35.1 64.8 27.1 85 174 A V H X S+ 0 0 0 -4,-2.7 4,-2.1 -5,-0.2 5,-0.2 0.923 110.6 54.1 -67.8 -42.7 33.8 61.2 26.8 86 175 A A H X S+ 0 0 0 -4,-2.3 4,-2.1 1,-0.2 -1,-0.2 0.892 114.8 41.5 -56.8 -41.7 36.5 59.8 29.1 87 176 A L H X S+ 0 0 0 -4,-2.0 4,-3.1 2,-0.2 -1,-0.2 0.863 110.9 55.9 -73.5 -40.9 35.5 62.4 31.8 88 177 A G H < S+ 0 0 3 -4,-2.4 32,-0.3 -5,-0.2 -2,-0.2 0.822 115.6 39.3 -61.1 -32.6 31.8 61.9 31.1 89 178 A I H < S+ 0 0 0 -4,-2.1 -2,-0.2 -5,-0.1 -1,-0.2 0.877 128.4 29.2 -80.8 -43.8 32.2 58.2 31.7 90 179 A H H >< S- 0 0 11 -4,-2.1 3,-1.6 -5,-0.2 -3,-0.2 0.630 78.5-178.1-100.7 -21.2 34.7 58.4 34.7 91 180 A G T 3< S+ 0 0 1 -4,-3.1 -1,-0.2 1,-0.3 6,-0.1 -0.337 71.7 6.5 66.5-124.4 33.9 61.6 36.4 92 181 A R T 3 S+ 0 0 142 -2,-0.2 2,-1.7 1,-0.1 -1,-0.3 0.546 105.7 94.6 -71.1 -13.6 36.2 62.3 39.4 93 182 A D <> + 0 0 62 -3,-1.6 4,-2.4 1,-0.2 5,-0.1 -0.637 50.9 173.7 -82.9 83.5 38.4 59.3 38.7 94 183 A I H > S+ 0 0 18 -2,-1.7 4,-2.9 2,-0.2 -1,-0.2 0.828 73.2 56.6 -64.9 -32.2 41.0 61.3 36.7 95 184 A E H > S+ 0 0 120 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.961 110.4 43.6 -66.9 -50.7 43.4 58.3 36.4 96 185 A A H > S+ 0 0 13 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.920 113.6 52.6 -52.5 -48.9 40.7 56.1 34.9 97 186 A A H X S+ 0 0 0 -4,-2.4 4,-2.7 1,-0.2 -2,-0.2 0.930 110.1 48.3 -55.0 -45.1 39.7 59.1 32.7 98 187 A L H X S+ 0 0 26 -4,-2.9 4,-2.3 1,-0.2 -2,-0.2 0.912 111.1 49.3 -66.6 -44.3 43.3 59.4 31.6 99 188 A E H X S+ 0 0 89 -4,-2.7 4,-2.3 2,-0.2 -1,-0.2 0.872 112.4 48.1 -58.8 -42.8 43.7 55.7 30.8 100 189 A T H X S+ 0 0 0 -4,-2.5 4,-2.8 2,-0.2 5,-0.3 0.928 111.4 49.9 -68.2 -45.3 40.5 55.7 28.7 101 190 A Y H X S+ 0 0 0 -4,-2.7 4,-2.3 -5,-0.2 -2,-0.2 0.901 112.7 48.7 -53.6 -44.8 41.6 58.9 26.8 102 191 A N H X S+ 0 0 64 -4,-2.3 4,-1.6 -5,-0.2 -2,-0.2 0.953 114.9 42.1 -65.1 -49.0 44.9 57.2 26.1 103 192 A L H <>S+ 0 0 16 -4,-2.3 5,-2.6 2,-0.2 6,-0.5 0.870 118.6 44.8 -69.1 -38.3 43.5 53.9 24.8 104 193 A M H ><5S+ 0 0 9 -4,-2.8 3,-1.8 3,-0.2 -1,-0.2 0.904 110.8 53.9 -69.6 -40.6 40.7 55.5 22.8 105 194 A S H 3<5S+ 0 0 0 -4,-2.3 -2,-0.2 -5,-0.3 -1,-0.2 0.833 109.7 48.0 -64.7 -31.9 43.0 58.1 21.3 106 195 A L T 3<5S- 0 0 64 -4,-1.6 -1,-0.3 -5,-0.2 -2,-0.2 0.252 119.3-116.2 -89.3 9.2 45.3 55.3 20.1 107 196 A K T < 5S+ 0 0 27 -3,-1.8 254,-0.2 2,-0.2 -3,-0.2 0.769 71.4 135.3 66.4 37.1 42.2 53.5 18.7 108 197 A Y S > - 0 0 10 242,-2.3 4,-2.0 -2,-0.2 3,-0.8 -0.221 45.2 -93.5 -70.2 163.0 29.0 53.6 20.6 113 202 A S H 3> S+ 0 0 22 1,-0.3 4,-3.5 2,-0.2 5,-0.2 0.770 120.5 53.7 -46.5 -48.3 27.5 56.7 19.0 114 203 A P H 3> S+ 0 0 12 0, 0.0 4,-2.8 0, 0.0 5,-0.3 0.895 111.1 48.5 -61.1 -39.5 25.2 57.9 21.7 115 204 A T H <> S+ 0 0 0 -3,-0.8 4,-2.7 11,-0.5 -2,-0.2 0.942 113.5 46.0 -60.6 -49.3 28.1 57.8 24.2 116 205 A L H < S+ 0 0 6 -4,-2.0 -1,-0.2 1,-0.2 -3,-0.2 0.927 118.7 43.7 -60.3 -46.6 30.3 59.8 21.8 117 206 A F H < S+ 0 0 59 -4,-3.5 -2,-0.2 -5,-0.2 -1,-0.2 0.903 129.3 21.5 -58.2 -49.0 27.5 62.2 21.2 118 207 A N H >< S+ 0 0 39 -4,-2.8 3,-2.1 -5,-0.2 -3,-0.2 0.619 81.6 116.5-112.9 -17.9 26.3 62.6 24.8 119 208 A A T 3< S+ 0 0 0 -4,-2.7 -31,-0.1 -5,-0.3 -30,-0.1 -0.313 88.3 17.4 -57.0 133.5 28.9 61.8 27.4 120 209 A G T 3 S+ 0 0 3 1,-0.3 -92,-2.6 -32,-0.3 -1,-0.3 0.366 102.6 112.5 86.2 -3.1 29.9 64.8 29.4 121 210 A T S < S- 0 0 16 -3,-2.1 -1,-0.3 -94,-0.3 -94,-0.2 -0.521 83.2 -96.9-101.7 164.9 26.7 66.8 28.4 122 211 A P S S+ 0 0 65 0, 0.0 -92,-0.1 0, 0.0 -96,-0.1 0.840 118.8 27.7 -56.5 -42.7 23.8 67.8 30.7 123 212 A K S S- 0 0 140 2,-0.1 2,-1.1 271,-0.1 270,-0.1 -0.709 84.0-166.0-116.8 79.8 21.4 65.0 29.8 124 213 A P + 0 0 24 0, 0.0 270,-3.3 0, 0.0 2,-0.9 -0.549 11.4 178.6 -75.9 99.0 23.9 62.3 28.9 125 214 A Q + 0 0 1 -2,-1.1 -7,-0.2 268,-0.2 -6,-0.1 -0.889 12.8 160.5-102.5 98.4 21.8 59.6 27.2 126 215 A M + 0 0 1 -2,-0.9 -11,-0.5 263,-0.2 228,-0.3 0.353 33.7 104.0-105.8 -1.7 24.6 57.2 26.4 127 216 A S - 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0 0 15 -4,-1.4 2,-0.7 -3,-0.3 -268,-0.2 -0.308 62.4-134.4 -71.2 143.9 23.3 57.6 32.2 394 489 A Y - 0 0 111 -270,-3.3 -267,-0.3 -2,-0.0 -268,-0.1 -0.894 24.2-150.3 -91.3 117.5 20.3 59.8 31.8 395 490 A Y - 0 0 23 -2,-0.7 6,-0.1 1,-0.1 -270,-0.1 -0.796 5.2-149.5 -91.2 125.0 17.4 57.4 31.3 396 491 A P S S+ 0 0 25 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.767 81.6 22.0 -70.2 -23.9 14.6 58.9 29.1 397 492 A V S >> S- 0 0 12 -48,-0.1 3,-1.1 1,-0.1 4,-1.0 -0.987 78.4-120.2-141.2 149.7 11.9 57.0 30.9 398 493 A E H 3> S+ 0 0 107 -2,-0.3 4,-2.1 1,-0.2 5,-0.2 0.771 107.5 66.4 -60.5 -28.2 11.6 55.3 34.3 399 494 A E H 3> S+ 0 0 38 1,-0.2 4,-1.8 2,-0.2 -50,-1.0 0.897 103.7 48.2 -63.5 -30.4 11.0 51.8 33.0 400 495 A A H <> S+ 0 0 0 -3,-1.1 4,-2.2 2,-0.2 5,-0.3 0.841 108.6 50.4 -81.7 -37.1 14.6 51.9 31.6 401 496 A R H X S+ 0 0 99 -4,-1.0 4,-2.6 2,-0.2 5,-0.2 0.903 111.7 50.5 -59.9 -46.7 16.3 53.2 34.8 402 497 A K H X S+ 0 0 55 -4,-2.1 4,-1.3 2,-0.2 -2,-0.2 0.918 112.4 45.9 -61.4 -47.5 14.5 50.4 36.8 403 498 A S H X S+ 0 0 1 -4,-1.8 4,-2.1 -5,-0.2 5,-0.5 0.991 117.8 40.9 -53.8 -60.4 15.6 47.7 34.4 404 499 A N H X S+ 0 0 0 -4,-2.2 4,-1.9 -55,-0.3 -2,-0.2 0.889 112.9 53.3 -66.5 -37.2 19.3 48.8 34.1 405 500 A M H < S+ 0 0 58 -4,-2.6 58,-0.4 -5,-0.3 -1,-0.3 0.874 113.9 45.0 -67.0 -29.9 19.7 49.5 37.7 406 501 A R H < S+ 0 0 83 -4,-1.3 57,-1.0 -3,-0.4 58,-0.9 0.895 130.4 15.8 -75.9 -46.4 18.4 46.1 38.6 407 502 A H H < S- 0 0 1 -4,-2.1 98,-2.3 55,-0.2 99,-0.2 0.552 80.0-153.6-114.2 -16.9 20.3 43.8 36.2 408 503 A R < - 0 0 7 -4,-1.9 98,-0.3 -5,-0.5 -4,-0.1 0.822 22.0-176.9 50.3 46.8 23.1 46.0 34.9 409 504 A P - 0 0 0 0, 0.0 -56,-0.3 0, 0.0 2,-0.3 -0.330 4.1-169.2 -72.3 164.3 23.6 44.3 31.5 410 505 A I - 0 0 0 96,-1.7 2,-0.3 -58,-0.1 -56,-0.2 -0.917 14.6-142.6-145.6 159.2 26.4 45.5 29.2 411 506 A A E +d 354 0C 0 -58,-1.8 -56,-1.5 -2,-0.3 2,-0.3 -0.791 16.2 179.5-135.9 94.6 27.3 44.9 25.6 412 507 A L E +de 355 508C 0 95,-2.6 97,-2.0 -2,-0.3 -56,-0.2 -0.696 17.6 158.2 -78.3 144.6 31.0 44.6 24.5 413 508 A G E -d 356 0C 1 -58,-2.1 -56,-2.4 -2,-0.3 2,-0.3 -0.658 25.2-121.2-143.6-154.8 31.6 43.9 20.8 414 509 A V E -d 357 0C 0 -58,-0.3 2,-0.3 97,-0.3 111,-0.2 -0.958 9.9-161.0-147.8 165.6 34.2 44.2 18.2 415 510 A Q E +d 358 0C 0 -58,-2.2 -56,-2.5 -2,-0.3 109,-0.2 -0.966 67.6 39.5-144.6 167.2 35.2 45.7 14.9 416 511 A G > + 0 0 0 107,-2.1 4,-2.2 -2,-0.3 110,-0.2 0.785 57.9 142.6 66.0 32.5 37.8 45.0 12.2 417 512 A L H > S+ 0 0 0 108,-2.0 4,-2.3 2,-0.2 5,-0.2 0.950 78.5 46.7 -57.9 -51.4 37.7 41.1 12.4 418 513 A A H > S+ 0 0 2 109,-0.6 4,-2.4 107,-0.3 -1,-0.2 0.879 111.0 51.8 -59.6 -40.9 38.2 41.0 8.6 419 514 A D H > S+ 0 0 10 2,-0.2 4,-3.1 1,-0.2 5,-0.2 0.938 107.8 53.2 -56.7 -49.8 41.0 43.5 8.8 420 515 A T H X S+ 0 0 0 -4,-2.2 4,-2.3 1,-0.2 -2,-0.2 0.945 109.8 46.4 -52.6 -53.2 42.7 41.4 11.5 421 516 A F H X>S+ 0 0 2 -4,-2.3 5,-2.3 1,-0.2 4,-0.6 0.934 114.4 48.2 -55.6 -47.6 42.6 38.3 9.3 422 517 A M H ><5S+ 0 0 12 -4,-2.4 3,-1.0 1,-0.3 -1,-0.2 0.915 110.0 50.9 -64.3 -43.6 43.9 40.2 6.3 423 518 A L H 3<5S+ 0 0 68 -4,-3.1 -1,-0.3 1,-0.2 -2,-0.2 0.853 114.7 44.7 -55.4 -39.4 46.7 41.7 8.3 424 519 A L H 3<5S- 0 0 27 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.417 113.9-119.3 -90.5 0.1 47.6 38.2 9.5 425 520 A R T <<5 + 0 0 97 -3,-1.0 -3,-0.2 -4,-0.6 -4,-0.1 0.693 65.0 140.8 70.5 25.2 47.3 36.7 6.0 426 521 A L < - 0 0 31 -5,-2.3 -1,-0.2 -6,-0.2 -2,-0.1 -0.866 52.7-126.8-101.3 122.9 44.5 34.3 6.9 427 522 A P > - 0 0 27 0, 0.0 3,-1.2 0, 0.0 6,-0.4 -0.287 25.4-118.6 -54.1 152.6 41.6 33.7 4.5 428 523 A F T 3 S+ 0 0 17 151,-0.5 152,-0.1 1,-0.2 151,-0.0 0.869 115.5 45.9 -64.7 -38.8 38.3 34.2 6.1 429 524 A D T 3 S+ 0 0 57 150,-0.2 -1,-0.2 4,-0.1 2,-0.1 0.183 92.9 117.1 -88.6 15.6 37.3 30.6 5.5 430 525 A S S <> S- 0 0 17 -3,-1.2 4,-2.4 1,-0.1 5,-0.2 -0.451 75.5-121.6 -88.8 153.9 40.7 29.2 6.8 431 526 A E H > S+ 0 0 111 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.859 116.3 55.8 -55.3 -36.0 41.3 26.9 9.7 432 527 A E H > S+ 0 0 108 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.899 108.6 45.7 -66.5 -40.7 43.6 29.7 11.1 433 528 A A H > S+ 0 0 0 -6,-0.4 4,-2.3 2,-0.2 -2,-0.2 0.866 110.7 54.4 -69.9 -40.4 40.8 32.2 10.9 434 529 A R H X S+ 0 0 102 -4,-2.4 4,-1.7 2,-0.2 -2,-0.2 0.912 111.9 43.8 -53.1 -48.8 38.4 29.7 12.5 435 530 A L H X S+ 0 0 52 -4,-2.3 4,-2.4 2,-0.2 5,-0.2 0.906 112.8 51.6 -66.7 -41.8 40.8 29.3 15.4 436 531 A L H X S+ 0 0 8 -4,-2.2 4,-2.5 1,-0.2 -2,-0.2 0.886 107.1 54.5 -64.9 -40.0 41.5 33.0 15.8 437 532 A N H X S+ 0 0 0 -4,-2.3 4,-1.9 1,-0.2 -1,-0.2 0.912 111.2 44.7 -55.6 -50.1 37.8 33.8 15.9 438 533 A I H X S+ 0 0 16 -4,-1.7 4,-2.3 2,-0.2 -2,-0.2 0.896 114.6 47.0 -62.6 -45.5 37.3 31.4 18.8 439 534 A Q H X S+ 0 0 30 -4,-2.4 4,-2.0 2,-0.2 -2,-0.2 0.883 110.3 53.7 -75.2 -29.1 40.3 32.5 20.8 440 535 A I H X S+ 0 0 0 -4,-2.5 4,-2.3 -5,-0.2 -2,-0.2 0.967 114.1 40.4 -63.7 -51.4 39.4 36.2 20.3 441 536 A F H X S+ 0 0 0 -4,-1.9 4,-2.3 1,-0.2 5,-0.2 0.849 112.2 55.7 -69.6 -32.3 35.8 35.8 21.6 442 537 A E H X S+ 0 0 0 -4,-2.3 4,-2.2 -5,-0.2 -1,-0.2 0.918 110.2 46.2 -63.6 -43.6 37.0 33.5 24.4 443 538 A T H X S+ 0 0 0 -4,-2.0 4,-2.6 2,-0.2 -2,-0.2 0.918 111.9 50.5 -68.1 -37.1 39.4 36.1 25.6 444 539 A I H X S+ 0 0 0 -4,-2.3 4,-2.7 1,-0.2 -2,-0.2 0.907 113.7 44.6 -66.2 -42.3 36.8 39.0 25.4 445 540 A Y H X S+ 0 0 5 -4,-2.3 4,-2.2 2,-0.2 5,-0.2 0.869 114.6 48.2 -69.3 -41.6 34.3 37.0 27.4 446 541 A H H X S+ 0 0 6 -4,-2.2 4,-2.7 -5,-0.2 5,-0.2 0.937 113.7 48.1 -60.1 -48.0 36.8 35.8 30.0 447 542 A A H X S+ 0 0 0 -4,-2.6 4,-2.9 -5,-0.2 5,-0.2 0.947 111.6 49.5 -60.7 -48.1 38.0 39.3 30.3 448 543 A S H X S+ 0 0 0 -4,-2.7 4,-2.3 1,-0.2 -1,-0.2 0.907 113.8 44.6 -58.4 -43.8 34.5 40.8 30.7 449 544 A M H X S+ 0 0 8 -4,-2.2 4,-2.3 2,-0.2 -1,-0.2 0.891 112.6 51.8 -72.8 -38.0 33.5 38.3 33.3 450 545 A E H X S+ 0 0 58 -4,-2.7 4,-2.6 1,-0.2 -2,-0.2 0.953 112.8 45.5 -63.9 -45.7 36.8 38.6 35.3 451 546 A A H X S+ 0 0 0 -4,-2.9 4,-2.1 -5,-0.2 -2,-0.2 0.890 113.1 50.2 -65.0 -37.6 36.3 42.4 35.3 452 547 A S H X S+ 0 0 0 -4,-2.3 4,-2.2 -5,-0.2 51,-1.0 0.839 109.5 51.3 -69.4 -32.6 32.6 42.1 36.3 453 548 A C H X S+ 0 0 4 -4,-2.3 4,-2.4 2,-0.2 5,-0.2 0.946 107.6 52.3 -69.5 -45.8 33.6 39.7 39.1 454 549 A E H X S+ 0 0 47 -4,-2.6 4,-1.5 1,-0.2 -2,-0.2 0.923 110.4 49.9 -51.8 -45.1 36.2 42.3 40.3 455 550 A L H X S+ 0 0 24 -4,-2.1 4,-3.2 1,-0.2 5,-0.4 0.879 108.0 52.5 -62.0 -39.7 33.3 44.8 40.3 456 551 A A H X S+ 0 0 5 -4,-2.2 4,-1.7 45,-0.2 -1,-0.2 0.881 106.9 52.0 -66.2 -34.5 31.1 42.5 42.3 457 552 A Q H < S+ 0 0 101 -4,-2.4 -1,-0.2 44,-0.2 -2,-0.2 0.882 118.7 39.3 -68.8 -29.8 33.7 42.0 45.0 458 553 A K H < S+ 0 0 146 -4,-1.5 -2,-0.2 -5,-0.2 -3,-0.2 0.983 135.5 12.1 -81.0 -58.5 34.0 45.8 45.2 459 554 A D H < S- 0 0 107 -4,-3.2 -3,-0.2 1,-0.2 -2,-0.2 0.388 109.4 -97.6-106.6 -1.6 30.3 47.0 44.8 460 555 A G < - 0 0 24 -4,-1.7 -1,-0.2 -5,-0.4 -3,-0.1 0.018 47.7 -69.0 97.3 152.3 28.2 43.9 45.2 461 556 A P - 0 0 54 0, 0.0 42,-0.3 0, 0.0 40,-0.1 -0.262 67.3 -79.5 -68.3 163.8 26.6 41.6 42.6 462 557 A Y > - 0 0 6 40,-1.9 3,-1.7 -55,-0.1 4,-0.3 -0.235 52.2-102.4 -61.4 162.6 23.7 43.0 40.5 463 558 A E T 3 S+ 0 0 129 -57,-1.0 3,-0.3 -58,-0.4 -56,-0.2 0.782 118.6 39.9 -65.4 -31.4 20.4 42.8 42.4 464 559 A T T 3 S+ 0 0 18 -58,-0.9 -1,-0.3 1,-0.2 -137,-0.1 0.006 79.0 111.8-107.3 26.9 19.0 39.8 40.6 465 560 A F X + 0 0 16 -3,-1.7 3,-2.2 2,-0.1 6,-0.4 0.887 54.0 92.9 -67.7 -37.9 22.3 37.7 40.5 466 561 A Q T 3 S+ 0 0 174 -4,-0.3 4,-0.0 -3,-0.3 6,-0.0 -0.388 94.9 17.0 -62.5 125.7 21.0 35.2 42.9 467 562 A G T 3 S+ 0 0 50 1,-0.4 -1,-0.3 -2,-0.2 -2,-0.1 0.315 94.7 131.1 91.6 -6.8 19.3 32.2 41.1 468 563 A S S X> S- 0 0 0 -3,-2.2 4,-0.8 1,-0.1 3,-0.6 -0.419 74.3-111.4 -71.1 153.8 21.0 33.1 37.8 469 564 A P G >4>S+ 0 0 12 0, 0.0 5,-2.7 0, 0.0 3,-1.2 0.896 120.5 56.3 -49.1 -39.2 22.7 30.4 35.8 470 565 A A G >45S+ 0 0 2 1,-0.3 3,-1.3 3,-0.2 31,-0.1 0.822 97.2 59.8 -67.7 -32.6 26.0 32.2 36.6 471 566 A S G <45S+ 0 0 15 -3,-0.6 -1,-0.3 -6,-0.4 -5,-0.1 0.726 108.6 47.1 -62.3 -20.3 25.4 32.0 40.4 472 567 A Q G <<5S- 0 0 126 -3,-1.2 -1,-0.2 -4,-0.8 -2,-0.2 0.224 127.0-100.7-105.4 7.8 25.3 28.2 39.9 473 568 A G T < 5S+ 0 0 7 -3,-1.3 2,-0.8 1,-0.2 -3,-0.2 0.646 78.1 137.7 85.3 16.3 28.5 28.2 37.8 474 569 A I < - 0 0 70 -5,-2.7 -1,-0.2 -6,-0.2 -2,-0.2 -0.869 29.6-178.3 -98.2 102.8 26.7 27.9 34.4 475 570 A L >> - 0 0 2 -2,-0.8 4,-1.3 -3,-0.1 3,-0.5 -0.273 44.4 -86.0 -91.6 178.2 28.5 30.3 32.0 476 571 A Q H >> S+ 0 0 2 1,-0.3 3,-0.9 2,-0.2 4,-0.6 0.938 125.6 49.0 -62.8 -49.5 27.5 30.9 28.4 477 572 A F H 34>S+ 0 0 0 1,-0.3 5,-2.4 2,-0.2 3,-0.5 0.773 104.5 61.5 -62.4 -25.1 29.4 28.0 26.8 478 573 A D H X45S+ 0 0 52 -3,-0.5 3,-1.6 1,-0.2 -1,-0.3 0.866 99.5 56.0 -65.3 -36.3 28.0 25.6 29.4 479 574 A M H <<5S+ 0 0 26 -4,-1.3 -1,-0.2 -3,-0.9 -2,-0.2 0.618 105.9 50.3 -72.9 -15.1 24.5 26.4 28.1 480 575 A W T 3<5S- 0 0 24 -4,-0.6 -1,-0.3 -3,-0.5 -2,-0.2 0.278 118.0-119.1 -96.3 4.6 25.6 25.4 24.7 481 576 A D T < 5S+ 0 0 154 -3,-1.6 2,-0.3 1,-0.2 -3,-0.2 0.860 70.7 127.0 58.4 42.6 27.0 22.1 26.3 482 577 A Q < - 0 0 97 -5,-2.4 -1,-0.2 119,-0.1 -2,-0.2 -0.930 61.3-124.4-130.9 149.6 30.5 22.8 25.3 483 578 A K - 0 0 191 -2,-0.3 2,-0.0 1,-0.1 -5,-0.0 -0.669 41.1-110.0 -77.9 144.1 33.9 23.0 26.9 484 579 A P - 0 0 36 0, 0.0 -1,-0.1 0, 0.0 6,-0.0 -0.274 26.1-108.3 -72.6 164.5 35.7 26.3 26.3 485 580 A Y - 0 0 117 -47,-0.2 -46,-0.1 1,-0.1 -2,-0.0 0.821 48.3-136.1 -66.2 -29.8 38.8 26.4 24.0 486 581 A G + 0 0 47 2,-0.1 -1,-0.1 -47,-0.0 -47,-0.0 0.704 63.8 132.6 87.1 24.6 40.9 27.0 27.2 487 582 A M S S+ 0 0 53 2,-0.0 2,-0.3 -48,-0.0 -48,-0.0 0.780 81.0 44.1 -67.5 -28.1 43.3 29.8 26.3 488 583 A W S S- 0 0 46 -46,-0.0 2,-1.0 0, 0.0 -2,-0.1 -0.837 98.8-103.0-116.4 155.7 42.2 31.2 29.7 489 584 A D > + 0 0 91 -2,-0.3 4,-1.0 1,-0.2 -2,-0.0 -0.687 39.7 172.9 -79.9 99.5 41.5 29.5 33.1 490 585 A W H > + 0 0 8 -2,-1.0 4,-2.5 2,-0.2 -1,-0.2 0.713 69.9 61.2 -79.0 -24.7 37.7 29.2 33.3 491 586 A D H > S+ 0 0 117 2,-0.2 4,-2.8 1,-0.2 5,-0.2 0.907 105.3 45.6 -71.7 -43.5 37.6 27.2 36.5 492 587 A T H > S+ 0 0 61 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.945 114.4 50.6 -63.5 -43.5 39.2 29.8 38.7 493 588 A L H X S+ 0 0 6 -4,-1.0 4,-2.4 1,-0.2 -2,-0.2 0.942 112.2 45.6 -56.5 -52.6 37.0 32.4 37.1 494 589 A R H X S+ 0 0 40 -4,-2.5 4,-2.3 2,-0.2 5,-0.2 0.900 109.9 55.3 -59.2 -44.4 33.8 30.3 37.8 495 590 A K H X S+ 0 0 137 -4,-2.8 4,-1.8 1,-0.2 -1,-0.2 0.960 111.7 43.7 -51.5 -54.1 35.0 29.6 41.4 496 591 A D H X S+ 0 0 50 -4,-2.4 4,-2.9 1,-0.2 5,-0.4 0.875 112.5 52.9 -61.9 -38.3 35.3 33.3 42.0 497 592 A I H X S+ 0 0 0 -4,-2.4 4,-1.9 2,-0.2 -1,-0.2 0.877 109.2 47.8 -65.3 -38.4 32.0 34.1 40.3 498 593 A M H < S+ 0 0 94 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.849 118.5 42.1 -74.0 -34.3 30.0 31.6 42.3 499 594 A K H < S+ 0 0 158 -4,-1.8 -2,-0.2 -5,-0.2 -1,-0.2 0.870 133.4 15.6 -72.1 -45.8 31.6 33.0 45.5 500 595 A H H < S- 0 0 81 -4,-2.9 -3,-0.2 1,-0.2 -2,-0.2 0.500 96.2-136.5-116.1 -10.2 31.4 36.8 44.8 501 596 A G < - 0 0 0 -4,-1.9 2,-0.3 -5,-0.4 -1,-0.2 -0.257 20.8 -85.7 89.0 179.3 29.0 37.2 42.0 502 597 A V - 0 0 1 -46,-0.1 -40,-1.9 -40,-0.1 -49,-0.2 -0.941 18.9-137.9-125.5 156.6 29.3 39.4 38.9 503 598 A R S S+ 0 0 43 -51,-1.0 2,-0.4 -2,-0.3 -40,-0.1 0.648 89.0 51.5 -83.6 -19.6 28.2 43.1 38.6 504 599 A N - 0 0 1 -42,-0.1 -96,-0.2 1,-0.1 -1,-0.1 -0.986 67.4-148.4-125.9 130.9 26.6 42.7 35.2 505 600 A S S S+ 0 0 3 -98,-2.3 2,-0.3 -2,-0.4 -97,-0.1 0.752 89.9 11.3 -63.6 -31.9 23.9 40.1 34.2 506 601 A L + 0 0 0 -98,-0.3 -96,-1.7 -99,-0.2 -1,-0.1 -0.974 56.9 177.1-148.4 152.3 25.3 40.1 30.7 507 602 A T + 0 0 0 -2,-0.3 -95,-2.6 1,-0.2 2,-0.4 0.603 56.4 63.5-134.7 -13.2 28.4 41.4 29.0 508 603 A M B +e 412 0C 0 -97,-0.3 97,-1.7 2,-0.1 -1,-0.2 -0.977 34.5 143.4-131.0 122.3 28.7 40.5 25.2 509 604 A A - 0 0 0 -97,-2.0 98,-0.2 -2,-0.4 -170,-0.1 -0.548 37.8-144.6-152.6 80.8 26.6 41.5 22.2 510 605 A P - 0 0 0 0, 0.0 98,-1.3 0, 0.0 -97,-0.1 -0.290 27.6-164.3 -53.9 118.9 28.6 42.1 19.1 511 606 A M - 0 0 9 96,-0.2 -97,-0.3 -100,-0.1 15,-0.2 -0.368 32.4 -95.2-101.8 172.5 26.7 44.9 17.4 512 607 A P - 0 0 20 0, 0.0 13,-0.1 0, 0.0 95,-0.0 0.794 34.8-156.6 -62.7 -28.9 26.8 46.2 13.8 513 608 A T > + 0 0 6 11,-0.2 4,-1.5 1,-0.1 5,-0.4 0.862 28.4 165.6 51.6 38.7 29.3 49.1 14.4 514 609 A A T 4 S+ 0 0 55 1,-0.2 -1,-0.1 2,-0.1 10,-0.1 0.764 74.3 13.5 -62.6 -26.7 27.8 50.7 11.4 515 610 A S T > S+ 0 0 45 2,-0.1 4,-1.5 3,-0.1 -1,-0.2 0.631 119.2 63.6-117.8 -29.1 29.4 54.2 12.1 516 611 A T H > S+ 0 0 10 2,-0.2 4,-2.1 1,-0.2 5,-0.2 0.883 101.3 53.6 -69.6 -35.2 32.0 53.6 14.8 517 612 A S H X>S+ 0 0 2 -4,-1.5 5,-2.3 1,-0.2 4,-1.8 0.910 105.2 56.5 -61.0 -38.8 34.1 51.3 12.5 518 613 A Q H 45S+ 0 0 86 -5,-0.4 -2,-0.2 2,-0.2 -1,-0.2 0.891 105.5 49.5 -61.3 -42.4 34.1 54.1 9.9 519 614 A I H <5S+ 0 0 6 -4,-1.5 -464,-0.4 1,-0.2 -1,-0.2 0.966 116.8 41.3 -56.3 -53.9 35.6 56.6 12.5 520 615 A L H <5S- 0 0 5 -4,-2.1 -2,-0.2 -466,-0.1 -1,-0.2 0.666 112.1-121.2 -72.9 -16.1 38.3 54.1 13.3 521 616 A G T <5 + 0 0 26 -4,-1.8 2,-0.2 1,-0.3 -3,-0.2 0.790 68.9 122.9 80.0 30.4 38.8 53.1 9.6 522 617 A Y < - 0 0 49 -5,-2.3 -1,-0.3 -6,-0.1 2,-0.1 -0.745 68.8 -93.9-116.8 166.2 38.1 49.3 10.1 523 618 A N - 0 0 18 -2,-0.2 -107,-2.1 1,-0.1 -106,-0.2 -0.404 61.3 -82.2 -74.4 158.6 35.5 47.0 8.5 524 619 A E > - 0 0 64 -109,-0.2 3,-1.6 4,-0.1 -106,-0.2 -0.418 68.0 -60.6 -77.5 140.6 32.3 46.6 10.5 525 620 A C T 3 S- 0 0 0 1,-0.2 -108,-2.0 -111,-0.2 -107,-0.3 0.097 105.4 -27.2 33.3-114.4 32.1 44.2 13.4 526 621 A F T 3 S+ 0 0 6 -15,-0.2 -1,-0.2 -109,-0.2 -111,-0.1 -0.018 101.4 111.0-125.3 21.0 32.7 40.5 12.5 527 622 A E < - 0 0 15 -3,-1.6 -109,-0.6 1,-0.1 -110,-0.1 -0.677 69.1-108.9-100.5 154.3 31.7 40.3 8.8 528 623 A P - 0 0 4 0, 0.0 -4,-0.1 0, 0.0 2,-0.1 -0.181 53.0 -78.5 -61.7 173.5 34.0 39.8 5.8 529 624 A V - 0 0 8 53,-0.4 55,-1.7 1,-0.1 3,-0.1 -0.477 32.3-152.1 -73.9 151.5 34.6 42.7 3.5 530 625 A T S S+ 0 0 38 1,-0.4 2,-0.3 53,-0.2 55,-0.3 0.704 80.0 5.6 -96.1 -27.5 31.7 43.4 1.1 531 626 A S - 0 0 18 52,-0.1 -1,-0.4 51,-0.1 34,-0.2 -0.969 56.0-140.5-147.8 152.3 34.0 44.9 -1.6 532 627 A N S S+ 0 0 1 33,-1.8 7,-2.7 -2,-0.3 2,-0.3 0.323 99.3 52.0 -91.2 4.6 37.8 45.4 -1.9 533 628 A M B Q 538 0J 36 5,-0.3 5,-0.3 31,-0.1 -1,-0.2 -0.960 360.0 360.0-142.5 120.5 36.8 48.8 -3.4 534 629 A Y 0 0 134 3,-3.0 3,-2.4 -2,-0.3 27,-0.0 -0.967 360.0 360.0-119.1 360.0 34.5 51.4 -1.8 535 ! 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 0.0 536 639 A Q 0 0 128 0, 0.0 2,-0.3 0, 0.0 25,-0.1 0.000 360.0 360.0 360.0 55.5 36.1 55.0 -5.0 537 640 A V - 0 0 68 -3,-2.4 -3,-3.0 0, 0.0 2,-0.3 -1.000 360.0-127.6-136.3 141.8 39.1 53.7 -2.9 538 641 A V B -Q 533 0J 20 -2,-0.3 -5,-0.3 -5,-0.3 5,-0.1 -0.637 39.8 -78.9 -93.2 135.6 40.6 50.2 -2.6 539 642 A N > - 0 0 16 -7,-2.7 4,-2.5 -2,-0.3 5,-0.2 0.091 38.2-134.8 -14.9 118.9 41.3 48.0 0.4 540 643 A P H > S+ 0 0 83 0, 0.0 4,-1.4 0, 0.0 -1,-0.1 0.849 104.4 46.8 -60.0 -33.9 44.5 49.3 2.1 541 644 A Y H > S+ 0 0 37 2,-0.2 4,-1.6 1,-0.2 5,-0.1 0.900 111.7 47.8 -77.4 -47.9 45.8 45.7 2.4 542 645 A L H > S+ 0 0 0 1,-0.2 4,-2.7 2,-0.2 3,-0.4 0.946 110.1 54.8 -56.6 -50.2 45.1 44.6 -1.2 543 646 A L H X S+ 0 0 62 -4,-2.5 4,-2.2 1,-0.2 5,-0.2 0.896 105.1 51.8 -50.5 -48.8 46.7 47.8 -2.5 544 647 A R H X S+ 0 0 154 -4,-1.4 4,-2.1 1,-0.2 -1,-0.2 0.871 113.4 45.8 -58.2 -38.9 49.9 47.1 -0.6 545 648 A D H X S+ 0 0 15 -4,-1.6 4,-1.5 -3,-0.4 -2,-0.2 0.926 109.5 51.2 -72.7 -49.9 50.1 43.6 -2.1 546 649 A L H <>S+ 0 0 0 -4,-2.7 5,-1.8 1,-0.2 6,-1.0 0.909 114.6 45.1 -54.3 -46.9 49.3 44.5 -5.7 547 650 A V H ><5S+ 0 0 62 -4,-2.2 3,-1.7 -5,-0.2 -1,-0.2 0.934 109.1 56.6 -59.3 -49.8 52.0 47.2 -5.6 548 651 A D H 3<5S+ 0 0 111 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.729 109.8 46.0 -57.4 -24.6 54.4 44.7 -3.9 549 652 A L T 3<5S- 0 0 86 -4,-1.5 -1,-0.3 -3,-0.4 -2,-0.2 0.456 108.2-122.2 -97.9 -3.1 53.9 42.3 -6.9 550 653 A G T < 5S+ 0 0 66 -3,-1.7 -3,-0.2 -4,-0.4 -2,-0.1 0.766 86.7 106.8 67.4 25.8 54.3 44.9 -9.6 551 654 A I < + 0 0 26 -5,-1.8 2,-0.9 2,-0.0 -4,-0.2 0.387 42.0 110.3-110.4 -4.7 50.9 44.1 -11.1 552 655 A W + 0 0 82 -6,-1.0 2,-0.3 -5,-0.1 3,-0.1 -0.661 44.2 129.5 -76.1 104.9 49.2 47.2 -9.8 553 656 A D S >> S- 0 0 95 -2,-0.9 4,-2.2 1,-0.1 3,-1.3 -0.846 73.2 -90.7-142.7-178.3 48.5 49.3 -12.9 554 657 A E H 3> S+ 0 0 138 1,-0.3 4,-2.3 -2,-0.3 3,-0.3 0.963 123.9 57.9 -61.7 -51.1 45.6 51.1 -14.5 555 658 A G H 34 S+ 0 0 71 1,-0.3 -1,-0.3 2,-0.2 4,-0.2 0.430 113.7 41.4 -59.4 -1.5 44.5 48.0 -16.5 556 659 A M H <4 S+ 0 0 10 -3,-1.3 -1,-0.3 2,-0.1 -2,-0.2 0.591 105.4 61.1-114.5 -29.1 44.3 46.3 -13.1 557 660 A K H >X S+ 0 0 65 -4,-2.2 4,-1.3 -3,-0.3 3,-0.9 0.893 103.2 56.2 -56.6 -39.3 42.6 49.2 -11.2 558 661 A Q H 3X S+ 0 0 112 -4,-2.3 4,-3.1 1,-0.3 2,-0.6 0.905 92.3 64.0 -66.2 -44.6 39.7 48.9 -13.7 559 662 A Y H 34 S+ 0 0 95 1,-0.2 -1,-0.3 2,-0.2 7,-0.1 0.173 107.6 47.8 -70.4 25.7 38.8 45.2 -13.1 560 663 A L H <4>S+ 0 0 3 -3,-0.9 5,-1.8 -2,-0.6 -1,-0.2 0.524 113.4 42.2-128.9 -43.8 38.0 46.3 -9.5 561 664 A I H ><5S+ 0 0 66 -4,-1.3 3,-0.9 -3,-0.3 -2,-0.2 0.975 125.2 38.3 -61.2 -55.8 35.8 49.3 -10.3 562 665 A T T 3<5S+ 0 0 83 -4,-3.1 -3,-0.2 1,-0.2 -1,-0.1 0.767 115.3 56.8 -68.6 -22.6 34.1 47.3 -13.2 563 666 A Q T > 5S- 0 0 81 -5,-0.5 3,-1.2 3,-0.1 -1,-0.2 0.007 113.0 -99.4-115.4 31.4 34.0 44.0 -11.3 564 667 A N T < 5S- 0 0 120 -3,-0.9 -3,-0.1 1,-0.3 -31,-0.1 0.661 73.5 -68.8 74.9 16.5 32.2 44.6 -8.0 565 668 A G T 3 + 0 0 0 14,-0.5 3,-1.1 -2,-0.4 6,-0.1 0.388 52.9 114.8-102.6 0.5 39.7 39.9 -7.4 568 671 A Q T 3 S+ 0 0 55 1,-0.2 -2,-0.1 13,-0.1 7,-0.0 -0.256 78.9 20.1 -65.7 157.7 38.6 36.4 -8.3 569 672 A G T 3 S+ 0 0 66 1,-0.2 -1,-0.2 2,-0.1 -2,-0.0 0.316 86.4 139.6 69.6 -10.8 39.0 35.4 -12.0 570 673 A L X - 0 0 9 -3,-1.1 3,-1.3 1,-0.1 -1,-0.2 -0.550 52.8-136.6 -76.0 116.7 41.5 38.2 -12.5 571 674 A P T 3 S+ 0 0 119 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.764 89.2 37.3 -47.1 -46.1 44.2 36.8 -14.8 572 675 A N T 3 S+ 0 0 127 -21,-0.1 -2,-0.0 2,-0.1 -16,-0.0 -0.108 87.2 104.2-114.5 40.1 47.4 38.0 -13.2 573 676 A V S < S- 0 0 10 -3,-1.3 -4,-0.1 -6,-0.1 5,-0.1 -0.931 72.5-111.4-118.4 134.7 46.8 37.9 -9.5 574 677 A P > - 0 0 47 0, 0.0 4,-1.6 0, 0.0 3,-0.4 -0.341 21.7-123.3 -60.8 145.4 48.3 35.1 -7.2 575 678 A Q H > S+ 0 0 118 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.700 110.0 64.2 -59.1 -31.5 45.9 32.6 -5.7 576 679 A E H > S+ 0 0 104 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.907 105.5 45.0 -66.9 -35.5 47.1 33.5 -2.2 577 680 A L H > S+ 0 0 1 -3,-0.4 4,-2.9 2,-0.2 -2,-0.2 0.923 110.2 55.5 -65.9 -47.7 45.7 37.0 -2.7 578 681 A K H < S+ 0 0 25 -4,-1.6 -2,-0.2 1,-0.2 -1,-0.2 0.908 110.8 43.9 -52.1 -48.2 42.5 35.6 -4.2 579 682 A D H >< S+ 0 0 52 -4,-2.3 3,-0.8 1,-0.2 -151,-0.5 0.889 115.7 48.2 -64.6 -40.7 41.9 33.5 -1.1 580 683 A L H 3< S+ 0 0 8 -4,-1.7 -2,-0.2 1,-0.3 -1,-0.2 0.864 112.8 47.1 -71.2 -36.8 42.8 36.3 1.3 581 684 A Y T 3< S+ 0 0 0 -4,-2.9 -14,-0.5 -5,-0.1 -1,-0.3 -0.229 74.4 149.5-106.6 43.5 40.6 38.9 -0.4 582 685 A K < - 0 0 44 -3,-0.8 -53,-0.4 -2,-0.1 2,-0.2 -0.563 40.9-134.5 -71.9 141.7 37.4 37.0 -0.8 583 686 A T > - 0 0 3 -2,-0.2 3,-1.8 -55,-0.1 -53,-0.2 -0.469 26.4-103.9 -90.2 163.9 34.3 39.3 -0.6 584 687 A V G > S+ 0 0 0 -55,-1.7 3,-0.9 1,-0.3 28,-0.2 0.792 122.9 57.8 -66.7 -28.5 31.3 38.3 1.4 585 688 A W G 3 S+ 0 0 46 -55,-0.3 -1,-0.3 1,-0.2 29,-0.2 0.495 108.1 50.8 -69.3 -7.8 29.4 37.2 -1.7 586 689 A E G < S+ 0 0 53 -3,-1.8 2,-0.4 2,-0.1 -1,-0.2 0.345 93.7 84.1-112.5 2.6 32.3 34.9 -2.3 587 690 A I S < S- 0 0 5 -3,-0.9 5,-0.1 -4,-0.2 0, 0.0 -0.915 88.1-108.2-110.7 134.9 32.4 33.2 1.1 588 691 A S > - 0 0 60 -2,-0.4 4,-1.8 1,-0.2 -2,-0.1 -0.309 17.1-140.0 -64.9 139.3 30.1 30.3 1.8 589 692 A Q H > S+ 0 0 20 2,-0.2 4,-3.3 1,-0.2 -1,-0.2 0.706 104.3 64.1 -74.6 -17.2 27.3 31.2 4.2 590 693 A K H > S+ 0 0 62 2,-0.2 4,-2.8 1,-0.2 -1,-0.2 0.914 104.0 46.9 -67.5 -40.3 27.8 27.9 5.9 591 694 A T H > S+ 0 0 28 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.916 113.4 48.7 -62.7 -44.0 31.3 29.1 6.8 592 695 A I H X S+ 0 0 12 -4,-1.8 4,-2.0 1,-0.2 -2,-0.2 0.932 114.4 44.5 -58.8 -49.0 29.7 32.3 8.0 593 696 A I H X S+ 0 0 1 -4,-3.3 4,-2.4 2,-0.2 -2,-0.2 0.876 112.3 54.3 -62.5 -40.8 27.1 30.4 10.0 594 697 A N H X S+ 0 0 47 -4,-2.8 4,-2.5 2,-0.2 -2,-0.2 0.928 110.5 43.8 -62.3 -46.5 29.9 28.1 11.3 595 698 A M H X S+ 0 0 6 -4,-2.6 4,-2.6 2,-0.2 -1,-0.2 0.847 111.3 55.1 -67.9 -34.6 32.0 30.9 12.6 596 699 A A H X S+ 0 0 0 -4,-2.0 4,-1.8 -5,-0.2 -1,-0.2 0.902 109.5 47.1 -63.5 -43.4 29.0 32.6 14.1 597 700 A A H X S+ 0 0 9 -4,-2.4 4,-0.7 2,-0.2 -2,-0.2 0.895 110.2 53.2 -62.1 -44.1 28.2 29.3 16.0 598 701 A D H >< S+ 0 0 27 -4,-2.5 3,-1.0 1,-0.2 -2,-0.2 0.973 114.9 40.2 -57.0 -51.7 31.8 29.0 17.1 599 702 A R H >< S+ 0 0 5 -4,-2.6 3,-2.2 1,-0.2 -1,-0.2 0.817 101.3 73.6 -68.2 -27.9 31.8 32.6 18.6 600 703 A S H >< S+ 0 0 8 -4,-1.8 3,-1.6 1,-0.3 -1,-0.2 0.690 80.3 70.2 -63.0 -20.2 28.3 32.3 20.0 601 704 A V T << S+ 0 0 2 -3,-1.0 -1,-0.3 -4,-0.7 -122,-0.1 0.679 105.3 43.2 -70.9 -15.2 29.3 30.1 22.8 602 705 A Y T < S+ 0 0 8 -3,-2.2 2,-0.7 -4,-0.2 -1,-0.3 0.168 95.0 93.6-112.6 14.5 31.1 33.1 24.3 603 706 A I < - 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0 0 77 -2,-0.2 4,-2.1 1,-0.1 5,-0.2 -0.870 48.0-113.4-121.6 157.6 16.4 30.9 -4.5 618 721 A M H > S+ 0 0 61 -2,-0.3 4,-2.0 1,-0.2 5,-0.1 0.842 118.7 52.8 -58.5 -36.3 13.7 29.9 -2.0 619 722 A G H > S+ 0 0 51 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.928 107.7 47.9 -67.8 -45.0 15.7 26.6 -1.5 620 723 A K H > S+ 0 0 101 1,-0.2 4,-1.9 2,-0.2 -2,-0.2 0.926 113.3 49.2 -61.7 -41.7 19.1 28.2 -0.8 621 724 A L H X S+ 0 0 0 -4,-2.1 4,-2.4 1,-0.2 -1,-0.2 0.877 107.4 53.7 -68.0 -42.5 17.4 30.5 1.7 622 725 A T H X S+ 0 0 42 -4,-2.0 4,-2.7 2,-0.2 5,-0.3 0.933 108.0 50.9 -54.7 -46.9 15.6 27.7 3.5 623 726 A S H X S+ 0 0 43 -4,-2.0 4,-3.5 1,-0.2 -2,-0.2 0.915 108.7 52.1 -61.2 -41.2 19.0 25.8 3.9 624 727 A M H X S+ 0 0 5 -4,-1.9 4,-2.0 1,-0.2 5,-0.2 0.928 112.2 44.3 -62.0 -49.1 20.6 28.9 5.4 625 728 A H H X S+ 0 0 2 -4,-2.4 4,-2.5 2,-0.2 -1,-0.2 0.928 117.2 45.1 -59.0 -46.7 17.9 29.4 8.0 626 729 A F H X S+ 0 0 18 -4,-2.7 4,-2.7 1,-0.2 5,-0.2 0.901 109.3 56.7 -70.2 -36.4 17.7 25.7 8.9 627 730 A Y H X S+ 0 0 75 -4,-3.5 4,-1.5 -5,-0.3 -1,-0.2 0.933 114.4 37.0 -57.9 -48.9 21.5 25.4 9.1 628 731 A G H X>S+ 0 0 2 -4,-2.0 5,-2.7 2,-0.2 4,-0.6 0.852 113.5 57.2 -76.5 -35.4 21.8 28.2 11.7 629 732 A W H ><5S+ 0 0 31 -4,-2.5 3,-1.3 -5,-0.2 -2,-0.2 0.955 111.2 42.7 -51.3 -56.0 18.6 27.2 13.5 630 733 A K H 3<5S+ 0 0 127 -4,-2.7 -2,-0.2 1,-0.3 -1,-0.2 0.787 105.9 63.3 -68.9 -26.2 20.1 23.7 14.0 631 734 A K H 3<5S- 0 0 73 -4,-1.5 -1,-0.3 -5,-0.2 -2,-0.2 0.670 119.0-113.8 -65.1 -14.3 23.5 25.3 14.9 632 735 A G T <<5 + 0 0 19 -3,-1.3 -3,-0.2 -4,-0.6 -2,-0.1 0.650 54.8 170.3 90.3 17.2 21.6 26.8 17.9 633 736 A L < - 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