==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=29-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 14-JUN-05 2CVU . COMPND 2 MOLECULE: RIBONUCLEOSIDE-DIPHOSPHATE REDUCTASE LARGE CHAIN . SOURCE 2 ORGANISM_SCIENTIFIC: SACCHAROMYCES CEREVISIAE; . AUTHOR H.XU,C.FABER,T.UCHIKI,J.W.FAIRMAN,J.RACCA,C.DEALWIS . 651 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 25799.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 450 69.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 35 5.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 30 4.6 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 . 2 0.3 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 . 33 5.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 79 12.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 228 35.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 11 1.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+5), SAME NUMBER PER 100 RESIDUES . 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 *** HISTOGRAMS OF *** . 0 0 0 1 1 3 2 0 4 3 2 1 3 1 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 . 2 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 89 A Q 0 0 208 0, 0.0 2,-0.3 0, 0.0 74,-0.0 0.000 360.0 360.0 360.0 32.6 40.7 76.0 12.7 2 90 A T - 0 0 42 0, 0.0 74,-0.1 0, 0.0 75,-0.1 -1.000 360.0 -97.4-150.7 140.6 40.2 75.3 16.5 3 91 A T - 0 0 56 -2,-0.3 75,-0.1 73,-0.2 6,-0.1 -0.315 36.9-149.6 -49.7 134.3 41.2 76.6 20.0 4 92 A K + 0 0 135 4,-0.0 -1,-0.1 5,-0.0 74,-0.1 0.966 67.3 81.2 -82.1 -53.4 44.0 74.3 21.1 5 93 A Q > - 0 0 101 1,-0.1 4,-1.3 3,-0.1 5,-0.1 -0.262 67.6-146.6 -65.1 137.2 43.7 74.2 24.9 6 94 A F H > S+ 0 0 3 2,-0.2 4,-3.0 1,-0.2 5,-0.2 0.877 97.4 48.7 -75.8 -42.0 41.1 71.7 26.1 7 95 A S H > S+ 0 0 7 1,-0.2 4,-1.3 2,-0.2 -1,-0.2 0.871 111.2 54.6 -66.6 -32.6 39.9 73.5 29.3 8 96 A K H > S+ 0 0 120 2,-0.2 4,-1.6 1,-0.2 -2,-0.2 0.840 109.4 46.3 -64.2 -36.5 39.7 76.5 27.0 9 97 A V H X S+ 0 0 2 -4,-1.3 4,-2.2 2,-0.2 -2,-0.2 0.902 111.6 51.0 -73.2 -40.4 37.4 74.4 24.7 10 98 A V H X S+ 0 0 3 -4,-3.0 4,-1.8 1,-0.2 -2,-0.2 0.765 106.7 57.5 -64.0 -24.9 35.4 73.2 27.7 11 99 A E H X S+ 0 0 60 -4,-1.3 4,-2.1 -5,-0.2 -2,-0.2 0.944 109.0 42.5 -72.5 -48.2 35.0 76.8 28.7 12 100 A D H X S+ 0 0 73 -4,-1.6 4,-1.2 2,-0.2 3,-0.4 0.977 115.1 49.4 -58.4 -58.0 33.4 77.9 25.5 13 101 A L H >< S+ 0 0 1 -4,-2.2 14,-1.9 1,-0.2 3,-0.5 0.885 115.8 44.1 -48.4 -47.5 31.2 74.8 25.3 14 102 A Y H 3< S+ 0 0 38 -4,-1.8 -1,-0.2 12,-0.2 -2,-0.2 0.819 115.8 45.4 -69.0 -34.5 30.0 75.4 28.9 15 103 A R H 3< S+ 0 0 141 -4,-2.1 -1,-0.2 -3,-0.4 -2,-0.2 0.492 85.1 138.5 -89.5 -3.8 29.5 79.2 28.7 16 104 A Y << - 0 0 39 -4,-1.2 9,-1.9 -3,-0.5 2,-0.4 -0.030 31.8-169.6 -53.9 140.2 27.6 78.9 25.3 17 105 A V E -A 24 0A 70 7,-0.3 2,-1.0 9,-0.0 3,-0.1 -0.980 27.5-121.4-133.1 141.0 24.6 81.1 24.7 18 106 A N E >>> -A 23 0A 60 5,-2.7 3,-2.4 -2,-0.4 4,-1.9 -0.739 22.6-161.2 -84.5 99.5 22.1 80.8 21.9 19 107 A A T 345S+ 0 0 83 -2,-1.0 -1,-0.2 1,-0.3 3,-0.1 0.849 85.2 62.9 -54.3 -37.2 22.3 84.3 20.3 20 108 A A T 345S+ 0 0 100 1,-0.2 -1,-0.3 -3,-0.1 -2,-0.0 0.496 122.3 17.1 -65.8 -3.7 19.0 83.9 18.5 21 109 A T T <45S- 0 0 67 -3,-2.4 -1,-0.2 2,-0.1 -2,-0.2 0.477 93.6-121.1-147.9 -12.4 17.1 83.6 21.8 22 110 A G T <5 + 0 0 56 -4,-1.9 -3,-0.2 1,-0.2 -2,-0.1 0.582 64.9 142.3 66.6 11.9 19.3 84.9 24.7 23 111 A K E < -A 18 0A 133 -5,-0.7 -5,-2.7 2,-0.0 2,-0.5 -0.723 56.0-125.4 -89.0 127.3 19.1 81.5 26.4 24 112 A P E -A 17 0A 102 0, 0.0 -7,-0.3 0, 0.0 -8,-0.1 -0.606 32.1-178.5 -70.0 120.8 22.2 80.1 28.1 25 113 A A - 0 0 39 -9,-1.9 2,-0.2 -2,-0.5 -9,-0.1 -0.701 3.9-170.9-129.3 75.4 22.7 76.7 26.5 26 114 A P - 0 0 56 0, 0.0 -12,-0.2 0, 0.0 -13,-0.1 -0.489 11.7-165.6 -71.1 136.2 25.7 75.0 28.1 27 115 A M + 0 0 47 -14,-1.9 2,-0.4 -2,-0.2 -13,-0.2 0.392 68.8 70.1-105.4 -0.6 26.9 71.8 26.5 28 116 A I S S- 0 0 4 -15,-0.2 94,-0.3 94,-0.2 93,-0.1 -0.937 86.4-116.0-109.1 142.7 29.1 70.5 29.3 29 117 A S > - 0 0 18 92,-2.2 4,-3.0 -2,-0.4 5,-0.2 -0.349 21.8-117.4 -69.5 157.8 27.6 69.2 32.5 30 118 A D H > S+ 0 0 107 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.968 115.6 53.6 -56.5 -58.9 28.3 71.0 35.8 31 119 A D H > S+ 0 0 62 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.891 113.3 40.0 -31.2 -65.6 30.0 67.9 37.1 32 120 A V H > S+ 0 0 2 2,-0.2 4,-3.0 1,-0.2 -1,-0.2 0.894 112.0 56.2 -66.1 -43.0 32.3 67.5 34.2 33 121 A Y H X S+ 0 0 20 -4,-3.0 4,-2.7 2,-0.2 -1,-0.2 0.949 109.3 47.0 -50.5 -56.0 33.0 71.3 33.9 34 122 A N H X S+ 0 0 63 -4,-2.7 4,-3.3 2,-0.2 -2,-0.2 0.895 110.7 51.3 -54.2 -48.5 34.2 71.4 37.5 35 123 A I H X S+ 0 0 0 -4,-2.1 4,-1.0 -5,-0.2 -1,-0.2 0.962 111.1 48.4 -54.4 -50.9 36.4 68.3 37.1 36 124 A V H >< S+ 0 0 0 -4,-3.0 3,-0.8 1,-0.2 -2,-0.2 0.932 114.7 46.4 -56.8 -43.3 38.0 69.9 34.1 37 125 A M H >< S+ 0 0 34 -4,-2.7 3,-1.0 1,-0.2 -2,-0.2 0.901 112.3 48.7 -65.9 -43.3 38.5 73.1 36.0 38 126 A E H 3< S+ 0 0 118 -4,-3.3 -1,-0.2 1,-0.3 -2,-0.2 0.493 124.2 30.8 -77.6 -5.5 39.9 71.5 39.2 39 127 A N T S+ 0 0 93 -3,-1.0 4,-2.0 1,-0.2 -33,-0.2 0.803 71.5 46.8 -66.9 -30.5 43.1 71.6 34.2 41 129 A D H > S+ 0 0 134 2,-0.2 4,-1.9 3,-0.2 5,-0.2 0.956 113.4 47.0 -75.1 -50.3 46.9 71.0 34.1 42 130 A K H > S+ 0 0 98 1,-0.2 4,-0.8 2,-0.2 -2,-0.2 0.960 119.2 42.1 -50.2 -54.5 46.8 67.3 34.4 43 131 A L H X S+ 0 0 0 -4,-2.3 4,-0.7 1,-0.2 3,-0.3 0.847 112.7 51.0 -66.5 -39.5 44.1 67.1 31.8 44 132 A N H < S+ 0 0 24 -4,-2.0 3,-0.2 -5,-0.2 -1,-0.2 0.871 114.5 41.9 -68.4 -35.0 45.5 69.6 29.3 45 133 A S H < S+ 0 0 98 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.441 103.0 68.2 -94.6 -9.4 49.0 68.1 29.1 46 134 A A H < S+ 0 0 25 -4,-0.8 -1,-0.2 -3,-0.3 -2,-0.2 0.733 82.0 94.0 -76.2 -26.5 47.8 64.5 29.0 47 135 A I < - 0 0 13 -4,-0.7 2,-0.5 -3,-0.2 34,-0.0 -0.455 59.3-162.5 -73.3 138.9 46.3 65.2 25.5 48 136 A V > - 0 0 52 -2,-0.1 3,-1.4 1,-0.1 4,-0.1 -0.958 2.3-166.5-122.3 105.6 48.5 64.3 22.5 49 137 A Y G > S+ 0 0 42 -2,-0.5 3,-1.2 1,-0.3 4,-0.2 0.563 78.4 78.7 -77.4 -10.5 47.1 66.0 19.3 50 138 A D G > S+ 0 0 120 1,-0.2 3,-2.3 2,-0.2 -1,-0.3 0.801 81.0 70.6 -55.9 -33.2 49.2 63.9 17.0 51 139 A R G X S+ 0 0 43 -3,-1.4 3,-1.5 1,-0.3 -1,-0.2 0.672 77.7 75.8 -69.8 -14.4 46.6 61.2 17.5 52 140 A D G X S+ 0 0 27 -3,-1.2 3,-0.9 1,-0.3 -1,-0.3 0.763 88.1 62.9 -59.5 -24.7 44.2 63.3 15.5 53 141 A F G < S+ 0 0 171 -3,-2.3 -1,-0.3 1,-0.2 -2,-0.2 0.076 80.3 82.6 -89.7 22.3 46.2 62.0 12.5 54 142 A Q G < S+ 0 0 83 -3,-1.5 2,-0.5 52,-0.1 -1,-0.2 0.472 76.7 88.7 -94.6 -7.7 45.1 58.4 13.4 55 143 A Y S < S- 0 0 27 -3,-0.9 472,-0.1 -4,-0.1 5,-0.1 -0.829 77.0-128.4-102.9 122.3 41.9 59.0 11.5 56 144 A S > - 0 0 40 -2,-0.5 4,-2.5 470,-0.3 5,-0.2 -0.067 33.2-105.2 -48.6 163.8 41.4 58.4 7.8 57 145 A Y H > S+ 0 0 163 1,-0.2 4,-2.0 2,-0.2 5,-0.2 0.960 124.2 42.6 -56.6 -52.9 39.9 61.2 5.7 58 146 A F H 4 S+ 0 0 118 1,-0.2 -1,-0.2 2,-0.2 4,-0.2 0.660 114.6 53.2 -73.0 -19.3 36.5 59.5 5.4 59 147 A G H >> S+ 0 0 0 2,-0.1 4,-1.2 3,-0.1 3,-0.5 0.868 108.7 46.8 -79.9 -44.5 36.7 58.5 9.1 60 148 A F H 3X S+ 0 0 61 -4,-2.5 4,-2.5 1,-0.2 5,-0.2 0.870 105.8 58.6 -63.8 -40.5 37.4 62.1 10.4 61 149 A K H 3X S+ 0 0 75 -4,-2.0 4,-2.0 1,-0.2 -1,-0.2 0.668 102.3 56.2 -69.9 -14.7 34.6 63.6 8.3 62 150 A T H <> S+ 0 0 16 -3,-0.5 4,-1.8 2,-0.2 5,-0.3 0.885 108.8 46.8 -74.5 -43.1 32.3 61.2 10.2 63 151 A L H X>S+ 0 0 6 -4,-1.2 5,-3.1 2,-0.2 4,-1.6 0.873 120.3 38.1 -62.1 -40.4 33.5 62.7 13.4 64 152 A E H <5S+ 0 0 51 -4,-2.5 -2,-0.2 3,-0.2 -3,-0.2 0.896 108.4 64.3 -80.6 -41.9 33.1 66.2 12.1 65 153 A R H <5S- 0 0 118 -4,-2.0 -2,-0.2 -5,-0.2 -3,-0.2 0.909 134.5 -20.3 -44.3 -56.5 29.9 65.5 10.2 66 154 A S H <5S+ 0 0 42 -4,-1.8 -1,-0.2 -5,-0.1 -2,-0.2 0.215 126.0 62.5-149.7 21.3 27.9 64.7 13.3 67 155 A Y T <5S+ 0 0 12 -4,-1.6 -3,-0.2 -5,-0.3 2,-0.1 0.802 76.7 76.7-116.6 -56.2 30.1 63.9 16.4 68 156 A L S S-B 74 0B 44 3,-3.3 3,-2.3 -2,-0.3 -58,-0.0 -0.994 85.5 -24.5-119.3 121.2 29.4 76.1 18.5 72 160 A N T 3 S- 0 0 120 -2,-0.5 3,-0.1 1,-0.3 -1,-0.1 0.860 126.4 -52.3 42.9 45.4 27.1 78.2 16.4 73 161 A G T 3 S+ 0 0 61 1,-0.3 2,-0.3 0, 0.0 -1,-0.3 0.176 117.2 107.8 82.8 -21.0 27.6 75.7 13.5 74 162 A Q E < S-B 71 0B 112 -3,-2.3 -3,-3.3 1,-0.1 2,-0.3 -0.717 82.0-103.7 -86.7 146.6 31.4 75.8 13.5 75 163 A V E +B 70 0B 31 -2,-0.3 -5,-0.2 -5,-0.2 -6,-0.1 -0.515 39.7 176.6 -67.7 127.2 33.2 72.7 14.9 76 164 A A + 0 0 15 -7,-2.5 2,-0.4 -2,-0.3 -6,-0.2 0.724 53.6 72.3-103.1 -27.8 34.4 73.5 18.4 77 165 A E - 0 0 4 -8,-1.2 -9,-0.1 -75,-0.1 -1,-0.0 -0.743 64.1-146.3-101.9 133.1 35.9 70.1 19.4 78 166 A R >> - 0 0 52 -2,-0.4 4,-1.9 -75,-0.1 3,-1.2 -0.668 38.2-106.8 -82.8 152.1 39.1 68.5 18.2 79 167 A P H 3> S+ 0 0 5 0, 0.0 4,-2.0 0, 0.0 5,-0.1 0.878 124.4 53.9 -45.1 -44.7 38.9 64.7 18.0 80 168 A Q H 3> S+ 0 0 0 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.843 105.5 54.6 -61.2 -32.4 41.1 64.5 21.1 81 169 A H H <> S+ 0 0 0 -3,-1.2 4,-3.0 2,-0.2 -1,-0.2 0.913 105.3 52.1 -65.9 -43.9 38.6 66.9 22.9 82 170 A L H X S+ 0 0 6 -4,-1.9 4,-2.9 2,-0.2 -2,-0.2 0.926 112.7 45.6 -59.3 -46.2 35.7 64.5 22.2 83 171 A I H X S+ 0 0 5 -4,-2.0 4,-3.4 2,-0.2 5,-0.3 0.969 113.1 47.6 -60.5 -53.2 37.7 61.6 23.7 84 172 A M H X S+ 0 0 0 -4,-2.6 4,-1.8 1,-0.2 -2,-0.2 0.876 112.7 51.4 -60.6 -35.1 38.8 63.5 26.7 85 173 A R H X S+ 0 0 2 -4,-3.0 4,-2.8 2,-0.2 3,-0.2 0.976 111.8 46.4 -61.4 -54.4 35.2 64.7 27.2 86 174 A V H X S+ 0 0 0 -4,-2.9 4,-2.3 1,-0.2 5,-0.3 0.948 109.3 54.3 -49.1 -57.7 34.0 61.1 26.9 87 175 A A H X S+ 0 0 0 -4,-3.4 4,-1.9 1,-0.2 -1,-0.2 0.857 113.1 43.6 -49.1 -40.5 36.6 59.8 29.3 88 176 A L H X S+ 0 0 0 -4,-1.8 4,-2.8 -5,-0.3 -1,-0.2 0.914 108.9 55.8 -72.5 -44.8 35.5 62.3 31.9 89 177 A G H < S+ 0 0 2 -4,-2.8 -2,-0.2 1,-0.2 -1,-0.2 0.844 115.3 40.3 -54.5 -35.0 31.8 61.8 31.4 90 178 A I H < S+ 0 0 0 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.897 125.4 32.9 -78.8 -41.1 32.2 58.1 32.1 91 179 A H H >< S- 0 0 8 -4,-1.9 3,-1.8 -5,-0.3 -2,-0.2 0.662 75.7-174.8-101.1 -18.2 34.7 58.4 35.0 92 180 A G T 3< S- 0 0 2 -4,-2.8 -1,-0.2 1,-0.3 6,-0.1 -0.386 76.7 -0.4 59.2-125.2 33.9 61.5 36.9 93 181 A R T 3 S+ 0 0 136 1,-0.2 2,-2.3 -2,-0.1 -1,-0.3 0.523 106.4 100.4 -71.3 -9.1 36.5 62.1 39.7 94 182 A D <> + 0 0 81 -3,-1.8 4,-3.1 1,-0.2 5,-0.2 -0.402 44.5 167.3 -81.2 63.5 38.5 59.0 38.8 95 183 A I H > S+ 0 0 15 -2,-2.3 4,-2.7 1,-0.2 -1,-0.2 0.774 73.9 56.6 -50.5 -31.6 41.1 61.0 36.8 96 184 A E H > S+ 0 0 113 -3,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.976 111.2 40.4 -67.1 -53.7 43.2 57.8 36.7 97 185 A A H > S+ 0 0 15 1,-0.2 4,-2.6 2,-0.2 -2,-0.2 0.939 116.8 51.8 -53.4 -49.7 40.5 55.8 35.1 98 186 A A H X S+ 0 0 0 -4,-3.1 4,-2.5 1,-0.2 -2,-0.2 0.894 109.0 49.8 -53.7 -45.9 39.7 58.8 32.9 99 187 A L H X S+ 0 0 27 -4,-2.7 4,-1.9 -5,-0.2 -1,-0.2 0.898 111.1 49.3 -65.7 -41.5 43.3 59.1 31.8 100 188 A E H X S+ 0 0 78 -4,-2.3 4,-2.3 2,-0.2 5,-0.2 0.926 111.4 48.1 -58.7 -51.7 43.6 55.4 30.9 101 189 A T H X S+ 0 0 0 -4,-2.6 4,-2.7 1,-0.2 5,-0.3 0.925 107.9 56.5 -58.2 -47.1 40.4 55.4 28.9 102 190 A Y H X S+ 0 0 0 -4,-2.5 4,-3.4 -5,-0.2 5,-0.2 0.939 109.5 46.1 -48.9 -53.2 41.6 58.5 27.0 103 191 A N H X S+ 0 0 57 -4,-1.9 4,-2.7 1,-0.2 -2,-0.2 0.929 112.9 46.6 -59.3 -49.7 44.8 56.8 26.0 104 192 A L H <>S+ 0 0 13 -4,-2.3 5,-3.1 1,-0.2 6,-0.6 0.864 117.6 44.3 -63.3 -34.8 43.3 53.5 24.8 105 193 A M H ><5S+ 0 0 4 -4,-2.7 3,-1.8 -5,-0.2 -2,-0.2 0.946 113.7 48.2 -77.3 -46.3 40.6 55.4 22.9 106 194 A S H 3<5S+ 0 0 0 -4,-3.4 -2,-0.2 -5,-0.3 -3,-0.2 0.883 112.5 50.0 -55.9 -45.4 43.0 58.0 21.3 107 195 A L T 3<5S- 0 0 59 -4,-2.7 -1,-0.3 -5,-0.2 -2,-0.2 0.276 119.5-115.3 -73.7 1.7 45.3 55.2 20.3 108 196 A K T < 5S+ 0 0 22 -3,-1.8 256,-0.2 2,-0.2 -3,-0.2 0.865 73.1 133.4 64.1 44.6 42.3 53.3 18.8 109 197 A Y S > - 0 0 15 244,-2.7 4,-1.6 -2,-0.2 3,-1.0 -0.272 49.0 -93.2 -74.5 161.8 28.8 53.6 20.8 114 202 A S H 3> S+ 0 0 21 1,-0.3 4,-3.6 2,-0.2 5,-0.2 0.747 121.5 53.7 -50.7 -46.1 27.5 56.7 19.2 115 203 A P H 3> S+ 0 0 11 0, 0.0 4,-3.1 0, 0.0 5,-0.3 0.927 109.2 50.9 -50.4 -48.5 25.2 57.9 22.0 116 204 A T H <> S+ 0 0 0 -3,-1.0 4,-2.4 11,-0.6 -2,-0.2 0.938 113.7 44.9 -53.3 -47.2 28.1 57.7 24.4 117 205 A L H < S+ 0 0 2 -4,-1.6 -1,-0.2 2,-0.2 -3,-0.1 0.921 117.1 45.4 -63.3 -46.7 30.2 59.8 22.0 118 206 A F H < S+ 0 0 33 -4,-3.6 -2,-0.2 -5,-0.2 -1,-0.2 0.952 128.8 21.1 -53.6 -54.1 27.4 62.3 21.4 119 207 A N H >< S+ 0 0 24 -4,-3.1 3,-1.9 7,-0.2 -2,-0.2 0.417 80.5 119.5-111.6 -9.5 26.4 62.7 25.0 120 208 A A T 3< S+ 0 0 0 -4,-2.4 -31,-0.1 -5,-0.3 -32,-0.1 -0.449 89.4 13.0 -65.5 132.5 29.1 61.8 27.5 121 209 A G T 3 S+ 0 0 3 1,-0.3 -92,-2.2 -32,-0.2 -1,-0.3 0.490 104.0 112.4 85.2 2.3 30.0 64.8 29.6 122 210 A T S < S- 0 0 15 -3,-1.9 -1,-0.3 -94,-0.3 -94,-0.2 -0.651 82.4-105.3-103.6 159.8 27.0 66.8 28.5 123 211 A P S S+ 0 0 70 0, 0.0 -96,-0.1 0, 0.0 -95,-0.1 0.812 117.6 46.6 -56.8 -33.9 24.1 67.9 30.7 124 212 A K S S- 0 0 95 -97,-0.1 2,-2.1 2,-0.1 276,-0.0 -0.687 78.8-175.7-107.5 80.7 21.7 65.3 29.2 125 213 A P + 0 0 24 0, 0.0 276,-3.1 0, 0.0 2,-1.0 -0.520 14.8 162.1 -85.3 79.0 23.9 62.3 29.2 126 214 A Q + 0 0 0 -2,-2.1 -7,-0.2 274,-0.2 31,-0.2 -0.861 5.8 162.2 -95.1 99.1 21.8 59.7 27.5 127 215 A M + 0 0 1 -2,-1.0 -11,-0.6 269,-0.2 230,-0.4 0.511 31.8 109.2-101.1 -8.1 24.6 57.3 26.7 128 216 A S - 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0 0 81 -6,-0.3 -3,-0.2 2,-0.0 2,-0.1 -0.987 55.6-130.6-138.6 130.4 55.7 37.2 11.6 375 463 A S - 0 0 44 -2,-0.4 -7,-0.3 55,-0.1 2,-0.3 -0.452 22.6-177.3 -84.6 155.0 52.7 38.6 13.3 376 464 A T E -P 367 0I 55 -9,-3.5 -9,-2.2 -2,-0.1 2,-0.5 -0.872 28.3-110.9-134.1 175.8 51.0 37.2 16.4 377 465 A Y E -P 366 0I 19 -2,-0.3 2,-1.8 -11,-0.2 -11,-0.2 -0.945 18.4-139.1-113.8 125.5 47.9 38.2 18.4 378 466 A N > + 0 0 35 -13,-3.1 4,-2.1 -2,-0.5 3,-0.2 -0.583 27.5 171.6 -86.1 79.1 48.3 39.7 21.8 379 467 A F H > S+ 0 0 35 -2,-1.8 4,-1.9 1,-0.2 -1,-0.2 0.683 77.1 61.3 -57.8 -20.4 45.4 37.9 23.6 380 468 A K H > S+ 0 0 160 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.941 105.5 41.9 -73.1 -50.6 46.9 39.3 26.8 381 469 A K H > S+ 0 0 59 2,-0.2 4,-2.7 1,-0.2 -2,-0.2 0.839 115.0 54.0 -62.0 -34.5 46.5 43.0 25.8 382 470 A L H X S+ 0 0 0 -4,-2.1 4,-2.4 2,-0.2 -2,-0.2 0.944 108.5 46.3 -66.5 -48.8 43.1 42.1 24.4 383 471 A H H X S+ 0 0 16 -4,-1.9 4,-1.5 2,-0.2 -2,-0.2 0.889 113.7 52.5 -55.6 -42.1 41.9 40.5 27.7 384 472 A E H X S+ 0 0 83 -4,-2.2 4,-1.2 2,-0.2 3,-0.2 0.945 111.3 43.7 -60.2 -53.9 43.4 43.6 29.4 385 473 A I H >X S+ 0 0 0 -4,-2.7 4,-3.0 1,-0.2 3,-0.5 0.890 109.7 56.7 -59.8 -40.5 41.4 46.1 27.2 386 474 A A H 3X S+ 0 0 0 -4,-2.4 4,-2.3 1,-0.3 -1,-0.2 0.844 104.8 52.9 -65.0 -34.1 38.2 44.1 27.5 387 475 A K H 3X S+ 0 0 23 -4,-1.5 4,-1.9 -3,-0.2 -1,-0.3 0.810 110.7 47.8 -63.2 -34.8 38.5 44.4 31.3 388 476 A V H X S+ 0 0 73 -4,-2.1 3,-2.1 -3,-0.3 4,-1.7 0.952 104.6 62.2 -59.3 -48.7 30.1 53.2 35.2 396 484 A V H 3X S+ 0 0 0 -4,-2.5 4,-0.8 1,-0.3 -1,-0.2 0.858 93.2 64.6 -44.7 -43.4 28.0 54.5 32.3 397 485 A I H 3< S+ 0 0 0 -4,-1.5 -1,-0.3 1,-0.2 -2,-0.2 0.848 109.8 38.0 -49.6 -37.3 25.0 52.7 33.8 398 486 A D H << S+ 0 0 79 -3,-2.1 -1,-0.2 -4,-0.6 -2,-0.2 0.762 117.7 45.9 -90.1 -30.4 25.2 55.0 36.9 399 487 A R H < S+ 0 0 55 -4,-1.7 2,-0.2 -309,-0.1 -1,-0.2 0.331 92.7 112.8 -93.7 8.5 26.1 58.3 35.2 400 488 A N < - 0 0 14 -4,-0.8 2,-0.6 -5,-0.3 -274,-0.2 -0.539 63.6-137.9 -84.4 142.8 23.4 57.7 32.6 401 489 A Y - 0 0 115 -276,-3.1 -273,-0.2 -2,-0.2 -274,-0.1 -0.912 22.9-142.2 -97.2 121.1 20.3 59.9 32.3 402 490 A Y - 0 0 29 -2,-0.6 3,-0.1 1,-0.1 -276,-0.1 -0.684 6.0-145.7 -90.0 135.1 17.3 57.6 31.6 403 491 A P S S+ 0 0 14 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.713 83.1 16.1 -72.8 -19.7 14.6 58.9 29.1 404 492 A V S >> S- 0 0 16 -52,-0.1 3,-1.5 1,-0.1 4,-1.3 -0.988 78.0-112.3-154.0 151.3 11.8 57.1 31.1 405 493 A E H 3> S+ 0 0 107 -2,-0.3 4,-2.3 1,-0.3 5,-0.1 0.801 111.7 60.4 -58.7 -33.6 11.3 55.6 34.5 406 494 A E H 3> S+ 0 0 34 1,-0.2 -54,-1.9 2,-0.2 4,-1.5 0.698 103.4 52.4 -69.3 -19.8 10.9 52.0 33.2 407 495 A A H <> S+ 0 0 0 -3,-1.5 4,-2.5 -56,-0.2 5,-0.2 0.891 109.6 46.6 -82.2 -43.4 14.4 52.2 31.7 408 496 A R H X S+ 0 0 107 -4,-1.3 4,-2.0 2,-0.2 5,-0.2 0.913 112.2 51.7 -63.3 -43.5 16.1 53.3 35.0 409 497 A K H X S+ 0 0 70 -4,-2.3 4,-1.1 2,-0.2 -2,-0.2 0.986 112.3 47.0 -52.7 -58.4 14.1 50.6 36.9 410 498 A S H >X S+ 0 0 2 -4,-1.5 4,-1.7 -58,-0.2 3,-0.9 0.921 115.3 42.5 -49.6 -58.5 15.3 47.9 34.5 411 499 A N H 3X S+ 0 0 0 -4,-2.5 4,-2.1 -59,-0.3 -1,-0.2 0.862 108.7 55.1 -65.3 -40.3 19.0 48.9 34.4 412 500 A M H 3< S+ 0 0 52 -4,-2.0 58,-0.4 -5,-0.2 -1,-0.3 0.737 112.6 47.2 -65.3 -19.9 19.6 49.5 38.1 413 501 A R H << S+ 0 0 80 -4,-1.1 58,-1.0 -3,-0.9 57,-0.7 0.894 130.3 12.7 -85.1 -44.2 18.3 46.0 38.7 414 502 A H H < S- 0 0 2 -4,-1.7 98,-2.3 55,-0.2 99,-0.2 0.600 78.4-153.2-113.8 -20.1 20.1 43.8 36.2 415 503 A R < - 0 0 5 -4,-2.1 98,-0.3 -5,-0.4 -4,-0.1 0.858 19.1-168.8 41.2 55.5 22.9 46.1 34.9 416 504 A P - 0 0 0 0, 0.0 -60,-0.4 0, 0.0 2,-0.3 -0.412 1.3-164.7 -70.5 151.9 23.3 44.4 31.5 417 505 A I - 0 0 0 96,-1.5 2,-0.3 -62,-0.1 -60,-0.1 -0.871 8.1-148.6-133.4 156.5 26.4 45.5 29.4 418 506 A A E +d 357 0C 0 -62,-1.2 -60,-1.7 -2,-0.3 2,-0.3 -0.855 16.2 174.8-142.1 104.8 27.2 45.0 25.7 419 507 A L E +de 358 515C 0 95,-1.8 97,-1.7 -2,-0.3 2,-0.2 -0.795 12.0 155.3-102.8 148.8 30.7 44.5 24.3 420 508 A G E -d 359 0C 2 -62,-1.5 -60,-2.5 -2,-0.3 2,-0.3 -0.708 26.0-118.3-153.0-157.7 31.4 43.8 20.7 421 509 A V E -d 360 0C 0 -62,-0.3 2,-0.3 97,-0.3 -60,-0.2 -0.933 11.6-164.9-152.4 161.3 34.1 44.1 18.1 422 510 A Q E +d 361 0C 0 -62,-1.9 -60,-1.9 -2,-0.3 109,-0.2 -0.969 66.6 42.9-148.6 162.8 35.1 45.6 14.9 423 511 A G > + 0 0 0 107,-2.4 4,-3.2 -2,-0.3 5,-0.2 0.651 61.2 137.7 78.6 17.8 37.8 45.1 12.3 424 512 A L H > S+ 0 0 0 108,-1.6 4,-2.0 106,-0.3 109,-0.2 0.890 76.4 49.2 -61.3 -42.6 37.6 41.3 12.4 425 513 A A H > S+ 0 0 4 109,-0.4 4,-2.4 107,-0.4 -1,-0.2 0.919 112.2 49.0 -59.7 -42.5 37.9 41.2 8.6 426 514 A D H > S+ 0 0 9 1,-0.2 4,-2.8 2,-0.2 5,-0.3 0.943 108.9 53.0 -60.1 -48.0 40.9 43.5 8.9 427 515 A T H X S+ 0 0 0 -4,-3.2 4,-1.8 1,-0.2 -1,-0.2 0.872 109.8 48.2 -56.8 -37.9 42.4 41.3 11.6 428 516 A F H <>S+ 0 0 2 -4,-2.0 5,-3.1 2,-0.2 -1,-0.2 0.963 113.1 47.2 -68.9 -47.2 42.1 38.3 9.3 429 517 A M H ><5S+ 0 0 12 -4,-2.4 3,-1.0 1,-0.2 -2,-0.2 0.861 112.1 49.4 -62.3 -39.2 43.7 40.1 6.4 430 518 A L H 3<5S+ 0 0 71 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.868 111.9 48.2 -70.1 -34.7 46.6 41.5 8.5 431 519 A L T 3<5S- 0 0 29 -4,-1.8 -1,-0.3 -5,-0.3 -2,-0.2 0.316 117.1-116.1 -90.3 10.8 47.3 38.1 9.9 432 520 A R T < 5 + 0 0 97 -3,-1.0 -3,-0.2 1,-0.2 -2,-0.1 0.850 66.8 144.2 63.6 39.0 47.2 36.6 6.3 433 521 A L < - 0 0 28 -5,-3.1 -1,-0.2 -6,-0.1 -2,-0.1 -0.936 49.8-133.3-118.9 113.2 44.1 34.5 7.1 434 522 A P > - 0 0 29 0, 0.0 3,-1.8 0, 0.0 6,-0.6 -0.426 28.4-120.4 -49.7 137.3 41.3 33.7 4.7 435 523 A F T 3 S+ 0 0 16 153,-0.3 154,-0.1 1,-0.3 153,-0.0 0.817 115.1 47.3 -54.1 -36.9 38.0 34.2 6.5 436 524 A D T 3 S+ 0 0 52 152,-0.3 -1,-0.3 4,-0.1 2,-0.1 0.387 88.0 120.6 -89.6 4.4 37.1 30.5 5.8 437 525 A S S <> S- 0 0 15 -3,-1.8 4,-2.3 1,-0.1 5,-0.2 -0.363 76.2-122.2 -64.9 145.8 40.6 29.2 7.0 438 526 A E H > S+ 0 0 110 1,-0.2 4,-1.8 2,-0.2 -1,-0.1 0.781 116.9 56.6 -50.5 -28.7 40.8 26.7 9.8 439 527 A E H > S+ 0 0 109 2,-0.2 4,-3.1 1,-0.2 -1,-0.2 0.947 105.1 46.5 -72.4 -51.3 43.0 29.5 11.3 440 528 A A H > S+ 0 0 0 -6,-0.6 4,-2.7 2,-0.2 -2,-0.2 0.829 111.9 53.5 -58.4 -34.4 40.4 32.3 11.1 441 529 A R H X S+ 0 0 97 -4,-2.3 4,-1.8 2,-0.2 -1,-0.2 0.922 112.0 44.4 -66.2 -44.3 38.0 29.8 12.6 442 530 A L H X S+ 0 0 51 -4,-1.8 4,-2.1 -5,-0.2 -2,-0.2 0.894 113.0 50.9 -64.4 -41.6 40.4 29.2 15.4 443 531 A L H X S+ 0 0 9 -4,-3.1 4,-3.6 2,-0.2 5,-0.2 0.948 107.0 54.4 -66.6 -47.0 41.1 32.9 15.8 444 532 A N H X S+ 0 0 0 -4,-2.7 4,-2.7 1,-0.2 5,-0.3 0.957 110.8 45.1 -40.2 -65.0 37.4 33.7 16.0 445 533 A I H X S+ 0 0 14 -4,-1.8 4,-2.7 1,-0.2 -1,-0.2 0.880 115.7 48.3 -50.5 -43.1 36.9 31.3 18.9 446 534 A Q H X S+ 0 0 26 -4,-2.1 4,-2.4 2,-0.2 -1,-0.2 0.944 110.5 48.1 -70.8 -48.2 39.9 32.5 20.6 447 535 A I H X S+ 0 0 0 -4,-3.6 4,-2.2 1,-0.2 3,-0.3 0.969 115.5 45.3 -56.1 -54.4 39.2 36.2 20.4 448 536 A F H X S+ 0 0 1 -4,-2.7 4,-2.3 1,-0.3 5,-0.3 0.889 109.1 55.3 -62.9 -38.4 35.6 35.7 21.6 449 537 A E H X S+ 0 0 0 -4,-2.7 4,-2.4 -5,-0.3 -1,-0.3 0.928 110.0 48.0 -57.2 -40.2 36.7 33.4 24.4 450 538 A T H X S+ 0 0 0 -4,-2.4 4,-2.3 -3,-0.3 -2,-0.2 0.923 110.7 47.6 -73.2 -37.3 39.1 36.1 25.7 451 539 A I H X S+ 0 0 0 -4,-2.2 4,-2.7 2,-0.2 5,-0.2 0.935 115.9 46.0 -64.3 -44.9 36.6 39.0 25.6 452 540 A Y H X S+ 0 0 2 -4,-2.3 4,-2.4 -5,-0.2 5,-0.2 0.949 113.0 48.9 -61.2 -49.1 34.0 37.0 27.4 453 541 A H H X S+ 0 0 6 -4,-2.4 4,-1.8 -5,-0.3 -1,-0.2 0.866 114.6 45.7 -62.5 -38.7 36.4 35.7 30.0 454 542 A A H X S+ 0 0 0 -4,-2.3 4,-3.7 2,-0.2 5,-0.3 0.920 111.7 49.8 -67.9 -46.4 37.7 39.1 30.7 455 543 A S H X S+ 0 0 0 -4,-2.7 4,-1.9 1,-0.2 -2,-0.2 0.864 112.8 47.6 -66.8 -34.1 34.4 40.9 30.9 456 544 A M H X S+ 0 0 7 -4,-2.4 4,-1.1 -5,-0.2 -1,-0.2 0.895 114.5 46.8 -71.2 -40.1 33.1 38.3 33.2 457 545 A E H >X S+ 0 0 52 -4,-1.8 4,-2.0 -5,-0.2 3,-0.5 0.944 111.9 48.4 -65.6 -49.7 36.3 38.5 35.4 458 546 A A H 3X S+ 0 0 0 -4,-3.7 4,-2.0 1,-0.3 -2,-0.2 0.896 111.8 52.1 -59.7 -39.7 36.3 42.3 35.5 459 547 A S H 3X S+ 0 0 0 -4,-1.9 4,-2.4 -5,-0.3 51,-0.8 0.770 105.7 55.0 -62.3 -30.1 32.5 42.1 36.4 460 548 A C H - 0 0 8 40,-1.4 3,-1.3 -55,-0.1 4,-0.3 -0.288 50.9-100.9 -66.5 161.0 23.4 43.0 40.8 470 558 A E T 3 S+ 0 0 127 -57,-0.7 3,-0.3 -58,-0.4 -56,-0.2 0.797 118.8 42.1 -57.1 -32.0 20.1 42.8 42.6 471 559 A T T 3 S+ 0 0 14 -58,-1.0 -1,-0.2 1,-0.2 4,-0.1 0.196 76.8 108.8-108.6 17.1 18.8 39.8 40.7 472 560 A F X + 0 0 18 -3,-1.3 3,-1.9 37,-0.1 6,-0.4 0.817 55.7 93.7 -58.2 -36.4 22.0 37.6 40.6 473 561 A Q T 3 S+ 0 0 176 -3,-0.3 4,-0.0 -4,-0.3 6,-0.0 -0.469 95.4 15.7 -65.1 128.9 20.5 35.1 43.1 474 562 A G T 3 S+ 0 0 53 1,-0.3 -1,-0.3 -2,-0.2 -2,-0.1 0.292 96.0 129.5 91.9 -7.6 18.9 32.2 41.3 475 563 A S S <> S- 0 0 0 -3,-1.9 4,-0.8 1,-0.1 -1,-0.3 -0.368 73.2-114.1 -71.9 159.2 20.5 33.1 37.9 476 564 A P T >4>S+ 0 0 8 0, 0.0 5,-3.2 0, 0.0 3,-0.8 0.873 120.3 57.6 -58.2 -39.3 22.3 30.4 35.9 477 565 A A G >45S+ 0 0 3 1,-0.2 3,-1.4 3,-0.2 31,-0.1 0.869 101.8 54.7 -56.6 -38.5 25.5 32.3 36.6 478 566 A S G 345S+ 0 0 14 -6,-0.4 -1,-0.2 -3,-0.3 4,-0.1 0.707 106.3 52.6 -69.8 -19.4 24.9 31.9 40.3 479 567 A Q G <<5S- 0 0 116 -3,-0.8 -1,-0.3 -4,-0.8 -2,-0.2 0.107 125.9-100.8 -99.8 16.8 24.7 28.2 39.8 480 568 A G T < 5S+ 0 0 9 -3,-1.4 2,-0.9 1,-0.2 -3,-0.2 0.615 83.1 134.5 68.5 15.0 28.1 28.0 38.0 481 569 A I < + 0 0 66 -5,-3.2 -1,-0.2 -6,-0.2 -2,-0.2 -0.787 29.9 176.1 -96.9 96.2 26.3 27.9 34.6 482 570 A L >> - 0 0 3 -2,-0.9 4,-1.5 -5,-0.1 3,-0.6 -0.381 47.4 -80.5 -89.7 176.2 28.0 30.3 32.3 483 571 A Q G >4 S+ 0 0 4 1,-0.2 3,-0.6 2,-0.2 4,-0.3 0.872 125.5 45.1 -44.8 -64.6 27.2 30.8 28.5 484 572 A F G >4>S+ 0 0 0 126,-0.6 3,-1.8 1,-0.2 5,-0.8 0.824 106.8 61.4 -53.2 -36.6 29.0 27.9 26.9 485 573 A D G X45S+ 0 0 39 -3,-0.6 3,-3.0 1,-0.3 -1,-0.2 0.958 99.4 55.4 -50.0 -54.0 27.7 25.5 29.6 486 574 A M G <<5S+ 0 0 25 -4,-1.5 -1,-0.3 -3,-0.6 -2,-0.2 0.456 106.3 52.1 -57.3 -8.0 24.2 26.3 28.4 487 575 A W G < 5S- 0 0 30 -3,-1.8 -1,-0.3 -4,-0.3 -2,-0.2 0.097 117.2-118.9-105.8 12.1 25.4 25.2 24.9 488 576 A D T < 5S+ 0 0 152 -3,-3.0 2,-0.3 1,-0.2 -3,-0.2 0.945 71.4 126.7 38.7 68.6 26.7 21.9 26.5 489 577 A Q < - 0 0 89 -5,-0.8 -2,-0.2 121,-0.1 -1,-0.2 -0.994 62.8-122.0-149.5 140.9 30.3 22.7 25.5 490 578 A K - 0 0 165 -2,-0.3 2,-0.0 -3,-0.1 0, 0.0 -0.657 42.6-109.3 -76.3 143.0 33.7 22.8 27.1 491 579 A P - 0 0 25 0, 0.0 -1,-0.1 0, 0.0 6,-0.0 -0.377 30.1-106.3 -65.2 156.7 35.3 26.3 26.6 492 580 A Y - 0 0 115 -47,-0.1 -46,-0.1 1,-0.1 -2,-0.0 0.790 50.1-133.9 -56.6 -27.8 38.3 26.3 24.3 493 581 A G + 0 0 51 2,-0.1 -1,-0.1 -47,-0.0 -47,-0.0 0.719 65.8 130.9 84.2 25.9 40.4 26.7 27.5 494 582 A M S S+ 0 0 63 -48,-0.1 2,-0.3 2,-0.0 -48,-0.0 0.725 77.7 44.0 -74.1 -21.5 42.8 29.5 26.7 495 583 A W S S- 0 0 55 -46,-0.0 2,-1.4 0, 0.0 -2,-0.1 -0.860 100.4-100.1-123.3 160.7 41.7 31.1 30.0 496 584 A D > + 0 0 91 -2,-0.3 4,-1.2 1,-0.2 -2,-0.0 -0.619 42.5 171.9 -89.3 93.6 41.2 29.5 33.4 497 585 A W H > + 0 0 7 -2,-1.4 4,-2.8 2,-0.2 5,-0.3 0.804 69.9 62.0 -70.6 -32.8 37.5 29.1 33.6 498 586 A D H > S+ 0 0 117 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.953 104.6 48.0 -60.9 -45.9 37.3 26.9 36.8 499 587 A T H > S+ 0 0 55 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.915 114.4 47.2 -62.2 -41.8 38.9 29.7 38.8 500 588 A L H X S+ 0 0 6 -4,-1.2 4,-2.5 2,-0.2 -1,-0.2 0.908 112.2 47.0 -65.3 -48.0 36.5 32.3 37.4 501 589 A R H X S+ 0 0 41 -4,-2.8 4,-2.3 1,-0.2 5,-0.2 0.904 110.7 57.7 -57.7 -37.4 33.4 30.1 37.9 502 590 A K H X S+ 0 0 137 -4,-2.6 4,-1.4 -5,-0.3 -2,-0.2 0.936 110.9 39.1 -60.8 -49.4 34.8 29.6 41.3 503 591 A D H X S+ 0 0 52 -4,-2.2 4,-3.5 1,-0.2 5,-0.4 0.817 112.2 57.1 -69.3 -36.9 34.9 33.3 42.2 504 592 A I H X S+ 0 0 0 -4,-2.5 4,-2.3 2,-0.2 -1,-0.2 0.882 107.4 47.6 -64.3 -42.4 31.6 34.1 40.5 505 593 A M H < S+ 0 0 101 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.893 118.8 42.7 -66.7 -36.4 29.7 31.5 42.6 506 594 A K H < S+ 0 0 164 -4,-1.4 -2,-0.2 -5,-0.2 -1,-0.2 0.889 133.5 14.0 -72.4 -45.7 31.4 33.0 45.7 507 595 A H H < S- 0 0 77 -4,-3.5 -3,-0.2 1,-0.2 -2,-0.2 0.562 93.2-131.7-114.1 -15.5 31.1 36.7 44.9 508 596 A G < - 0 0 0 -4,-2.3 2,-0.3 -5,-0.4 -1,-0.2 -0.329 23.0 -93.3 86.4-179.2 28.6 37.3 42.1 509 597 A V - 0 0 2 -46,-0.1 -40,-1.4 -40,-0.1 -49,-0.2 -0.903 18.4-130.6-128.5 160.6 29.1 39.5 39.0 510 598 A R S S+ 0 0 36 -51,-0.8 2,-0.4 -2,-0.3 -40,-0.1 0.725 89.2 53.8 -84.2 -20.9 28.1 43.1 38.6 511 599 A N - 0 0 1 1,-0.1 -96,-0.2 -55,-0.1 3,-0.1 -0.920 64.3-148.8-123.0 139.0 26.3 42.6 35.2 512 600 A S S S+ 0 0 2 -98,-2.3 2,-0.3 -2,-0.4 -185,-0.1 0.820 93.1 5.6 -68.4 -29.1 23.5 40.2 34.2 513 601 A L + 0 0 0 -98,-0.3 -96,-1.5 -99,-0.2 -1,-0.2 -0.940 57.0 178.2-151.6 157.5 25.0 40.1 30.7 514 602 A T + 0 0 0 -2,-0.3 -95,-1.8 1,-0.2 2,-0.5 0.580 57.7 65.8-138.8 -28.4 28.1 41.5 29.1 515 603 A M B +e 419 0C 2 -97,-0.3 99,-1.7 1,-0.0 -1,-0.2 -0.915 34.4 142.0-116.9 127.6 28.5 40.6 25.4 516 604 A A - 0 0 0 -97,-1.7 100,-0.1 -2,-0.5 -96,-0.1 -0.394 38.2-146.7-154.6 73.0 26.3 41.6 22.5 517 605 A P - 0 0 0 0, 0.0 100,-1.2 0, 0.0 -97,-0.2 -0.108 26.2-160.6 -46.1 127.3 28.4 42.2 19.4 518 606 A M - 0 0 12 98,-0.2 -97,-0.3 -97,-0.1 15,-0.1 -0.592 31.4 -95.4-115.5 171.8 26.7 44.9 17.4 519 607 A P - 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0 0 59 -6,-0.6 2,-0.3 0, 0.0 -1,-0.2 -0.887 23.5-132.4-108.1 136.8 38.7 53.8 -2.0 547 641 A V - 0 0 22 -2,-0.4 -7,-0.2 1,-0.1 -8,-0.0 -0.649 37.0 -88.1 -87.9 140.5 40.6 50.5 -2.6 548 642 A N > - 0 0 13 -9,-3.7 4,-3.3 -2,-0.3 5,-0.2 -0.239 35.5-144.5 -42.1 118.1 41.2 48.0 0.3 549 643 A P H > S+ 0 0 80 0, 0.0 4,-2.7 0, 0.0 -1,-0.2 0.862 97.7 50.0 -60.4 -37.9 44.5 49.1 1.8 550 644 A Y H > S+ 0 0 39 2,-0.2 4,-1.7 3,-0.2 5,-0.1 0.890 115.7 43.2 -70.7 -41.0 45.7 45.6 2.5 551 645 A L H > S+ 0 0 0 2,-0.2 4,-2.3 1,-0.1 3,-0.3 0.996 114.7 49.1 -59.6 -65.3 44.9 44.5 -1.0 552 646 A L H X S+ 0 0 57 -4,-3.3 4,-1.7 1,-0.2 -2,-0.2 0.841 108.7 54.0 -42.7 -51.4 46.4 47.7 -2.5 553 647 A R H >X S+ 0 0 146 -4,-2.7 4,-1.9 1,-0.2 3,-0.8 0.948 112.8 43.4 -43.6 -61.3 49.6 47.2 -0.4 554 648 A D H 3X S+ 0 0 18 -4,-1.7 4,-1.7 -3,-0.3 -1,-0.2 0.806 106.8 60.7 -57.5 -38.7 50.0 43.7 -1.8 555 649 A L H 3<>S+ 0 0 1 -4,-2.3 5,-1.6 1,-0.2 6,-0.9 0.825 109.0 42.6 -64.1 -32.0 49.2 44.7 -5.4 556 650 A V H X<5S+ 0 0 74 -4,-1.7 3,-1.6 -3,-0.8 -2,-0.2 0.883 108.6 58.5 -78.1 -41.9 52.2 47.1 -5.4 557 651 A D H 3<5S+ 0 0 113 -4,-1.9 -2,-0.2 1,-0.3 -1,-0.2 0.786 112.8 39.9 -54.4 -34.5 54.5 44.5 -3.7 558 652 A L T 3<5S- 0 0 87 -4,-1.7 -1,-0.3 0, 0.0 -2,-0.2 0.309 108.3-137.1 -94.6 4.7 53.8 42.1 -6.6 559 653 A G T < 5 + 0 0 62 -3,-1.6 -3,-0.2 -5,-0.2 -2,-0.1 0.691 69.8 122.4 46.8 28.0 54.0 45.2 -8.8 560 654 A I < + 0 0 32 -5,-1.6 2,-0.8 -6,-0.2 -4,-0.2 0.272 37.8 112.9 -99.0 10.8 51.0 43.9 -10.7 561 655 A W + 0 0 77 -6,-0.9 2,-0.2 -5,-0.1 -2,-0.0 -0.762 35.0 127.8 -92.1 106.8 49.0 47.1 -10.0 562 656 A D S >> S- 0 0 104 -2,-0.8 4,-1.5 0, 0.0 3,-0.5 -0.653 77.5 -72.9-131.1-161.2 48.3 49.2 -13.1 563 657 A E H 3> S+ 0 0 137 1,-0.2 4,-2.2 2,-0.2 5,-0.3 0.803 127.5 65.2 -66.6 -28.6 45.2 50.8 -14.7 564 658 A G H 3> S+ 0 0 50 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.850 105.3 45.5 -59.3 -37.3 44.1 47.3 -15.8 565 659 A M H <> S+ 0 0 12 -3,-0.5 4,-1.4 2,-0.2 -2,-0.2 0.907 109.9 51.7 -68.9 -49.1 43.8 46.5 -12.1 566 660 A K H X S+ 0 0 54 -4,-1.5 4,-1.4 1,-0.2 -2,-0.2 0.887 113.7 43.6 -61.0 -43.3 41.9 49.7 -11.0 567 661 A Q H X S+ 0 0 124 -4,-2.2 4,-3.3 1,-0.2 -1,-0.2 0.908 107.4 58.4 -72.6 -41.1 39.3 49.4 -13.7 568 662 A Y H X S+ 0 0 55 -4,-1.4 4,-3.2 -5,-0.3 -1,-0.2 0.820 106.0 52.5 -55.6 -31.4 38.8 45.6 -13.2 569 663 A L H <>S+ 0 0 1 -4,-1.4 5,-1.8 2,-0.2 6,-0.2 0.872 111.2 43.4 -73.1 -42.5 37.9 46.5 -9.6 570 664 A I H ><5S+ 0 0 95 -4,-1.4 3,-1.3 3,-0.2 -2,-0.2 0.970 117.3 50.0 -59.6 -54.8 35.3 49.0 -10.6 571 665 A T H 3<5S+ 0 0 71 -4,-3.3 -2,-0.2 1,-0.3 -3,-0.2 0.931 121.2 31.2 -45.8 -61.9 34.0 46.5 -13.3 572 666 A Q T ><5S- 0 0 84 -4,-3.2 3,-1.3 3,-0.2 -1,-0.3 0.249 108.2-127.6 -90.4 16.0 33.8 43.5 -11.0 573 667 A N T < 5S- 0 0 118 -3,-1.3 -3,-0.2 1,-0.2 -4,-0.1 0.854 76.4 -29.0 34.0 64.6 32.9 45.8 -8.0 574 668 A G T 3 - 0 0 8 -3,-0.3 3,-0.8 3,-0.2 -1,-0.1 -0.982 57.5-123.8-139.5 126.5 41.2 37.8 -12.6 580 674 A P T 3 S+ 0 0 127 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 0.692 93.3 32.6 -51.8 -42.6 44.2 36.9 -14.8 581 675 A N T 3 S+ 0 0 117 -21,-0.1 -21,-0.0 2,-0.1 0, 0.0 -0.285 86.3 104.6-121.9 54.0 47.3 37.9 -12.9 582 676 A V < - 0 0 13 -3,-0.8 -3,-0.2 -2,-0.2 5,-0.1 -0.997 67.9-112.4-136.4 127.3 46.7 37.6 -9.1 583 677 A P > - 0 0 52 0, 0.0 4,-2.2 0, 0.0 3,-0.5 -0.248 22.1-121.2 -62.6 143.4 48.1 34.8 -6.9 584 678 A Q H > S+ 0 0 113 1,-0.2 4,-2.9 2,-0.2 5,-0.3 0.801 113.1 62.9 -48.6 -36.2 45.7 32.3 -5.3 585 679 A E H > S+ 0 0 86 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.960 106.2 43.3 -58.8 -50.6 47.0 33.4 -1.9 586 680 A L H > S+ 0 0 3 -3,-0.5 4,-2.6 2,-0.2 -2,-0.2 0.924 112.4 53.6 -61.8 -46.4 45.6 36.9 -2.6 587 681 A K H < S+ 0 0 28 -4,-2.2 3,-0.3 1,-0.2 -2,-0.2 0.973 110.1 45.5 -52.3 -60.0 42.3 35.5 -4.0 588 682 A D H < S+ 0 0 59 -4,-2.9 3,-0.5 1,-0.2 -153,-0.3 0.790 115.6 50.2 -53.3 -29.0 41.6 33.3 -1.0 589 683 A L H < S+ 0 0 10 -4,-1.4 -154,-0.2 -5,-0.3 -1,-0.2 0.884 113.0 41.7 -81.1 -39.9 42.5 36.3 1.3 590 684 A Y S < S+ 0 0 1 -4,-2.6 -14,-0.4 -3,-0.3 -1,-0.2 -0.052 74.5 148.8-106.3 33.3 40.3 39.0 -0.3 591 685 A K - 0 0 47 -3,-0.5 -55,-0.4 -4,-0.2 -156,-0.1 -0.487 46.4-128.2 -60.0 132.4 37.1 37.0 -1.0 592 686 A T > - 0 0 4 -2,-0.2 3,-1.3 -57,-0.1 4,-0.3 -0.263 27.5-100.4 -69.8 167.7 34.2 39.4 -0.8 593 687 A V G > S+ 0 0 1 -57,-2.1 3,-1.0 1,-0.3 28,-0.2 0.826 122.5 60.8 -65.7 -31.0 31.3 38.4 1.6 594 688 A W G 3 S+ 0 0 62 -57,-0.3 -1,-0.3 1,-0.2 29,-0.1 0.194 104.5 52.7 -78.1 13.2 29.2 37.2 -1.5 595 689 A E G < S+ 0 0 55 -3,-1.3 2,-0.4 2,-0.1 -1,-0.2 0.380 88.7 87.2-130.4 -5.7 32.0 34.7 -2.1 596 690 A I S < S- 0 0 9 -3,-1.0 2,-0.2 -4,-0.3 5,-0.0 -0.795 90.9-104.0 -91.3 138.2 32.2 33.1 1.3 597 691 A S >> - 0 0 40 -2,-0.4 4,-1.7 1,-0.2 3,-0.8 -0.457 19.4-136.9 -61.7 128.0 29.9 30.1 1.9 598 692 A Q H 3> S+ 0 0 7 1,-0.2 4,-2.5 -2,-0.2 -1,-0.2 0.710 104.7 66.0 -58.4 -16.6 27.0 31.2 4.1 599 693 A K H 3> S+ 0 0 82 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.894 100.0 46.8 -72.8 -42.8 27.6 27.9 5.8 600 694 A T H <> S+ 0 0 31 -3,-0.8 4,-2.9 2,-0.2 5,-0.3 0.915 111.5 52.7 -61.7 -46.5 31.0 29.0 7.1 601 695 A I H X S+ 0 0 13 -4,-1.7 4,-2.8 1,-0.2 5,-0.2 0.971 109.8 47.5 -54.1 -58.0 29.5 32.3 8.2 602 696 A I H X S+ 0 0 0 -4,-2.5 4,-4.2 1,-0.2 -1,-0.2 0.906 112.9 51.4 -50.3 -43.0 26.8 30.5 10.2 603 697 A N H X S+ 0 0 39 -4,-2.2 4,-3.2 2,-0.2 -2,-0.2 0.929 109.2 46.2 -64.7 -47.3 29.5 28.2 11.7 604 698 A M H X S+ 0 0 4 -4,-2.9 4,-2.6 2,-0.2 5,-0.2 0.887 116.4 47.4 -66.0 -35.3 31.8 31.0 12.9 605 699 A A H X S+ 0 0 0 -4,-2.8 4,-2.4 -5,-0.3 -2,-0.2 0.989 112.1 49.9 -58.8 -60.0 28.7 32.7 14.3 606 700 A A H < S+ 0 0 6 -4,-4.2 4,-0.3 -5,-0.2 -2,-0.2 0.868 113.7 47.7 -40.7 -46.0 27.7 29.3 15.8 607 701 A D H >< S+ 0 0 36 -4,-3.2 3,-1.5 1,-0.2 -2,-0.2 0.973 114.3 41.0 -69.2 -56.2 31.2 29.0 17.3 608 702 A R H >< S+ 0 0 6 -4,-2.6 3,-2.1 1,-0.3 -1,-0.2 0.736 99.0 81.4 -62.8 -21.1 31.6 32.5 18.8 609 703 A S G >< S+ 0 0 8 -4,-2.4 3,-1.1 1,-0.3 -1,-0.3 0.697 78.0 66.1 -60.5 -20.6 28.0 32.3 20.0 610 704 A V G < S+ 0 0 0 -3,-1.5 -126,-0.6 -4,-0.3 -1,-0.3 0.512 101.3 49.7 -81.2 -7.0 28.9 30.2 23.1 611 705 A Y G < S+ 0 0 7 -3,-2.1 2,-0.6 -128,-0.2 -1,-0.3 0.047 92.0 98.8-113.3 22.0 30.8 33.1 24.5 612 706 A I < - 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