==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=30-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 28-OCT-05 2EUD . COMPND 2 MOLECULE: RIBONUCLEOSIDE-DIPHOSPHATE REDUCTASE LARGE CHAIN . SOURCE 2 ORGANISM_SCIENTIFIC: SACCHAROMYCES CEREVISIAE; . AUTHOR C.DEALWIS,H.XU,C.FABER,T.UCHIKI,J.FAIRMAN,J.RACCA . 648 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 25330.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 444 68.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 36 5.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 29 4.5 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.3 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 . 38 5.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 75 11.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 226 34.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 12 1.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+5), SAME NUMBER PER 100 RESIDUES . 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 *** HISTOGRAMS OF *** . 0 0 0 1 2 4 1 3 0 3 1 2 3 1 2 0 0 0 0 0 1 0 0 0 0 0 0 0 1 0 RESIDUES PER ALPHA HELIX . 2 0 1 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 5 1 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 0 113 0, 0.0 74,-0.1 0, 0.0 75,-0.0 0.000 360.0 360.0 360.0-174.4 40.5 76.4 15.9 2 91 A T - 0 0 55 1,-0.1 75,-0.0 5,-0.1 3,-0.0 0.046 360.0-165.0 -42.5 148.1 41.4 76.8 19.6 3 92 A K + 0 0 122 73,-0.0 2,-0.2 77,-0.0 -1,-0.1 0.812 57.4 92.8-106.7 -46.3 43.8 74.2 21.0 4 93 A Q > - 0 0 107 1,-0.1 4,-1.7 2,-0.1 3,-0.3 -0.330 62.8-150.9 -57.5 120.1 43.6 74.4 24.8 5 94 A F H > S+ 0 0 3 1,-0.2 4,-2.3 2,-0.2 3,-0.3 0.936 94.0 53.5 -57.8 -53.4 41.0 71.9 26.0 6 95 A S H > S+ 0 0 5 1,-0.2 4,-1.5 33,-0.2 -1,-0.2 0.821 109.3 52.7 -53.8 -30.8 39.9 73.8 29.1 7 96 A K H > S+ 0 0 84 -3,-0.3 4,-2.2 2,-0.2 -1,-0.2 0.892 106.3 50.2 -72.6 -41.6 39.2 76.7 26.8 8 97 A V H X S+ 0 0 4 -4,-1.7 4,-2.4 -3,-0.3 -2,-0.2 0.872 109.6 52.8 -64.2 -36.5 37.1 74.7 24.4 9 98 A V H X S+ 0 0 2 -4,-2.3 4,-2.4 2,-0.2 -1,-0.2 0.901 107.0 52.9 -64.4 -40.9 35.1 73.5 27.4 10 99 A E H X S+ 0 0 54 -4,-1.5 4,-2.4 -5,-0.2 -2,-0.2 0.942 111.1 45.2 -58.8 -51.6 34.6 77.1 28.5 11 100 A D H X S+ 0 0 55 -4,-2.2 4,-1.0 1,-0.2 -2,-0.2 0.912 115.0 47.5 -59.6 -45.3 33.2 78.1 25.1 12 101 A L H < S+ 0 0 1 -4,-2.4 14,-2.8 1,-0.2 15,-0.3 0.839 116.1 45.4 -65.5 -34.0 31.0 75.0 24.9 13 102 A Y H < S+ 0 0 37 -4,-2.4 -2,-0.2 12,-0.2 -1,-0.2 0.787 116.0 43.4 -80.5 -31.5 29.7 75.6 28.5 14 103 A R H < S+ 0 0 141 -4,-2.4 -2,-0.2 -5,-0.2 -1,-0.2 0.503 84.6 136.3 -92.8 -5.9 29.1 79.4 28.1 15 104 A Y < - 0 0 42 -4,-1.0 9,-2.5 -5,-0.2 2,-0.4 -0.045 34.5-165.9 -46.6 138.0 27.5 79.2 24.7 16 105 A V E -A 23 0A 65 7,-0.3 2,-1.2 8,-0.1 3,-0.1 -0.994 26.7-121.4-130.6 133.8 24.3 81.2 24.1 17 106 A N E >>> -A 22 0A 60 5,-2.8 4,-2.5 -2,-0.4 3,-1.7 -0.650 27.0-159.8 -76.2 101.1 21.9 80.7 21.2 18 107 A A T 345S+ 0 0 78 -2,-1.2 -1,-0.2 1,-0.3 -3,-0.0 0.855 84.2 58.6 -49.6 -46.9 22.1 84.2 19.7 19 108 A A T 345S+ 0 0 104 1,-0.2 -1,-0.3 -3,-0.1 -2,-0.1 0.655 122.5 25.7 -62.4 -14.1 18.9 84.1 17.7 20 109 A T T <45S- 0 0 70 -3,-1.7 -2,-0.2 2,-0.1 -1,-0.2 0.576 94.8-128.9-124.8 -17.8 17.0 83.5 21.0 21 110 A G T <5 + 0 0 56 -4,-2.5 -3,-0.2 1,-0.3 -2,-0.1 0.693 62.1 141.3 72.7 17.1 19.2 85.0 23.7 22 111 A K E < -A 17 0A 129 -5,-1.1 -5,-2.8 2,-0.0 -1,-0.3 -0.792 58.0-122.1 -98.2 128.7 18.9 81.7 25.5 23 112 A P E -A 16 0A 104 0, 0.0 -7,-0.3 0, 0.0 -8,-0.1 -0.514 33.7-179.4 -65.4 132.8 21.9 80.2 27.4 24 113 A A - 0 0 38 -9,-2.5 -9,-0.1 -2,-0.2 -10,-0.1 -0.529 7.0-165.6-138.8 71.5 22.5 76.8 25.8 25 114 A P - 0 0 57 0, 0.0 -12,-0.2 0, 0.0 -13,-0.1 -0.250 12.8-162.8 -59.8 138.8 25.4 75.0 27.5 26 115 A M S S+ 0 0 48 -14,-2.8 2,-0.3 -17,-0.2 -13,-0.2 0.146 73.4 61.6-108.8 15.9 26.9 71.9 25.7 27 116 A I S S- 0 0 4 -15,-0.3 94,-0.3 94,-0.2 93,-0.1 -0.996 87.0-110.6-143.2 136.9 28.7 70.6 28.7 28 117 A S > - 0 0 16 92,-2.1 4,-1.9 -2,-0.3 5,-0.1 -0.175 24.3-118.7 -64.0 158.6 27.2 69.4 32.1 29 118 A D H > S+ 0 0 104 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.961 113.4 47.9 -61.5 -51.8 27.8 71.4 35.3 30 119 A D H > S+ 0 0 63 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.909 113.1 45.4 -59.4 -46.4 29.6 68.5 36.9 31 120 A V H > S+ 0 0 3 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.849 112.0 54.4 -67.0 -32.0 31.9 67.7 34.0 32 121 A Y H X S+ 0 0 17 -4,-1.9 4,-2.4 1,-0.2 3,-0.2 0.949 108.4 47.2 -65.3 -48.4 32.6 71.5 33.6 33 122 A N H X S+ 0 0 69 -4,-2.5 4,-1.6 1,-0.2 -1,-0.2 0.813 110.6 53.8 -62.7 -29.9 33.7 71.8 37.3 34 123 A I H < S+ 0 0 0 -4,-1.6 -1,-0.2 -5,-0.2 4,-0.2 0.835 109.5 47.1 -73.9 -33.3 35.9 68.7 36.9 35 124 A V H >< S+ 0 0 0 -4,-1.6 3,-1.1 -3,-0.2 7,-0.2 0.920 113.1 48.7 -72.6 -44.1 37.7 70.2 33.9 36 125 A M H >< S+ 0 0 33 -4,-2.4 3,-0.6 1,-0.2 -2,-0.2 0.822 109.7 52.1 -64.3 -34.2 38.2 73.5 35.7 37 126 A E T 3< S+ 0 0 114 -4,-1.6 -1,-0.2 1,-0.2 -2,-0.2 0.483 124.4 27.6 -82.3 -3.4 39.5 71.9 38.8 38 127 A N T <> S+ 0 0 41 -3,-1.1 4,-3.1 -4,-0.2 5,-0.3 0.014 77.4 131.0-144.2 27.7 42.1 69.9 36.8 39 128 A K H <> S+ 0 0 79 -3,-0.6 4,-2.8 1,-0.2 5,-0.3 0.869 76.2 49.1 -53.7 -41.3 42.7 72.1 33.8 40 129 A D H > S+ 0 0 131 2,-0.2 4,-1.8 -4,-0.2 -1,-0.2 0.951 115.1 42.7 -65.1 -49.5 46.5 71.8 34.1 41 130 A K H 4 S+ 0 0 129 1,-0.2 -2,-0.2 2,-0.2 -1,-0.2 0.892 120.3 42.8 -64.1 -41.3 46.5 68.0 34.4 42 131 A L H >X S+ 0 0 0 -4,-3.1 3,-1.3 -7,-0.2 4,-1.0 0.909 112.4 51.1 -73.3 -44.0 43.9 67.6 31.7 43 132 A N H 3< S+ 0 0 32 -4,-2.8 3,-0.5 -5,-0.3 -2,-0.2 0.906 112.4 46.0 -61.0 -43.2 45.3 70.1 29.2 44 133 A S T 3< S+ 0 0 101 -4,-1.8 -1,-0.3 -5,-0.3 -2,-0.2 0.291 103.8 66.2 -84.6 11.0 48.9 68.7 29.4 45 134 A A T <4 S+ 0 0 22 -3,-1.3 -1,-0.2 -5,-0.1 -2,-0.2 0.733 79.9 94.2 -98.4 -29.9 47.6 65.1 29.0 46 135 A I < - 0 0 15 -4,-1.0 2,-0.8 -3,-0.5 3,-0.1 -0.411 60.3-155.3 -70.3 134.2 46.3 65.5 25.5 47 136 A V > - 0 0 49 -2,-0.2 3,-2.7 1,-0.1 4,-0.2 -0.805 8.4-171.2-109.7 87.0 48.5 64.5 22.6 48 137 A Y G > S+ 0 0 32 -2,-0.8 3,-1.3 1,-0.3 -1,-0.1 0.660 78.4 70.7 -54.6 -18.4 47.1 66.6 19.7 49 138 A D G > S+ 0 0 122 1,-0.3 3,-1.6 2,-0.2 -1,-0.3 0.700 81.2 74.5 -74.1 -15.5 49.3 64.8 17.2 50 139 A R G X S+ 0 0 53 -3,-2.7 3,-1.9 1,-0.3 -1,-0.3 0.636 74.3 81.6 -70.5 -11.4 47.1 61.8 17.7 51 140 A D G < S+ 0 0 27 -3,-1.3 3,-0.5 1,-0.3 -1,-0.3 0.626 81.7 65.3 -67.0 -12.3 44.4 63.6 15.6 52 141 A F G < S+ 0 0 176 -3,-1.6 -1,-0.3 1,-0.2 -2,-0.2 0.282 76.2 87.0 -92.7 9.2 46.4 62.4 12.6 53 142 A Q S < S+ 0 0 74 -3,-1.9 2,-0.4 52,-0.1 -1,-0.2 0.174 74.6 87.7 -91.3 16.0 45.5 58.8 13.5 54 143 A Y S S- 0 0 28 -3,-0.5 472,-0.1 4,-0.0 471,-0.1 -0.967 75.3-131.2-121.0 131.2 42.3 59.2 11.5 55 144 A S > - 0 0 64 -2,-0.4 4,-2.6 470,-0.2 5,-0.2 -0.041 38.3 -94.8 -64.6 178.0 42.0 58.6 7.8 56 145 A Y H > S+ 0 0 143 1,-0.2 4,-2.5 2,-0.2 5,-0.1 0.971 127.5 38.8 -61.9 -55.2 40.3 61.2 5.6 57 146 A F H > S+ 0 0 106 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.793 114.2 57.6 -66.4 -28.0 36.8 59.6 5.7 58 147 A G H > S+ 0 0 0 2,-0.2 4,-1.6 1,-0.2 3,-0.4 0.983 110.5 40.8 -64.7 -56.5 37.4 58.7 9.4 59 148 A F H X S+ 0 0 63 -4,-2.6 4,-2.8 1,-0.2 5,-0.2 0.911 112.2 56.9 -56.3 -46.8 38.0 62.3 10.3 60 149 A K H X S+ 0 0 49 -4,-2.5 4,-2.5 -5,-0.2 -1,-0.2 0.841 103.5 53.3 -56.6 -35.8 35.2 63.5 8.1 61 150 A T H X>S+ 0 0 12 -4,-1.7 4,-1.7 -3,-0.4 5,-0.5 0.928 111.9 46.1 -65.1 -43.2 32.7 61.3 9.8 62 151 A L H X>S+ 0 0 6 -4,-1.6 5,-2.8 1,-0.2 4,-2.3 0.921 115.3 45.4 -63.2 -47.2 33.8 62.8 13.2 63 152 A E H <5S+ 0 0 48 -4,-2.8 -2,-0.2 3,-0.2 -1,-0.2 0.884 111.9 52.9 -65.1 -40.5 33.6 66.4 11.9 64 153 A R H <5S- 0 0 145 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.843 134.9 -3.4 -66.5 -37.4 30.3 65.9 10.1 65 154 A S H <5S+ 0 0 76 -4,-1.7 -3,-0.2 -5,-0.2 -2,-0.2 0.520 128.8 47.1-136.3 -9.1 28.3 64.5 13.1 66 155 A Y T < S-B 73 0B 42 3,-3.3 3,-0.9 -2,-0.3 -58,-0.0 -0.937 86.3 -21.2-124.5 105.9 29.4 76.4 18.0 71 160 A N T 3 S- 0 0 117 -2,-0.5 -1,-0.1 1,-0.2 3,-0.1 0.889 131.6 -47.0 62.9 39.5 27.0 78.3 15.7 72 161 A G T 3 S+ 0 0 49 1,-0.2 2,-0.4 0, 0.0 -1,-0.2 0.448 117.4 113.7 83.9 0.0 27.6 75.7 13.0 73 162 A Q E < S-B 70 0B 136 -3,-0.9 -3,-3.3 1,-0.0 -1,-0.2 -0.881 76.7-108.5-108.1 135.6 31.4 75.8 13.4 74 163 A V E +B 69 0B 26 -2,-0.4 -5,-0.3 -5,-0.3 -6,-0.1 -0.440 38.9 173.8 -61.0 123.1 33.4 72.8 14.6 75 164 A A + 0 0 14 -7,-3.2 2,-0.3 -2,-0.2 -6,-0.2 0.686 54.3 70.3-103.5 -26.1 34.5 73.7 18.1 76 165 A E - 0 0 3 -8,-1.6 -9,-0.1 -13,-0.1 -10,-0.0 -0.709 63.7-148.9-100.2 146.5 36.1 70.4 19.1 77 166 A R >> - 0 0 65 -2,-0.3 4,-2.3 -74,-0.1 3,-0.8 -0.702 41.1-102.5 -99.0 157.2 39.2 68.6 17.9 78 167 A P H 3> S+ 0 0 4 0, 0.0 4,-2.0 0, 0.0 5,-0.1 0.877 125.2 52.2 -49.5 -38.4 39.1 64.8 18.0 79 168 A Q H 3> S+ 0 0 0 2,-0.2 4,-2.1 1,-0.2 5,-0.2 0.860 106.6 52.9 -66.6 -35.0 41.2 64.9 21.2 80 169 A H H <> S+ 0 0 0 -3,-0.8 4,-2.2 2,-0.2 -1,-0.2 0.941 109.2 49.2 -64.1 -46.6 38.8 67.3 22.8 81 170 A L H X S+ 0 0 7 -4,-2.3 4,-2.2 1,-0.2 -2,-0.2 0.876 111.0 51.0 -60.8 -38.4 35.9 65.0 22.0 82 171 A I H X S+ 0 0 6 -4,-2.0 4,-2.5 -5,-0.2 -1,-0.2 0.886 111.0 45.7 -69.0 -39.3 37.8 62.0 23.5 83 172 A M H X S+ 0 0 0 -4,-2.1 4,-2.7 2,-0.2 5,-0.2 0.842 111.0 54.6 -72.5 -32.3 38.7 63.7 26.8 84 173 A R H X S+ 0 0 4 -4,-2.2 4,-3.2 -5,-0.2 -2,-0.2 0.949 111.3 44.5 -63.4 -46.7 35.1 64.9 27.0 85 174 A V H X S+ 0 0 0 -4,-2.2 4,-1.8 2,-0.2 -2,-0.2 0.919 112.5 52.3 -62.7 -43.8 33.9 61.3 26.7 86 175 A A H X S+ 0 0 0 -4,-2.5 4,-2.8 1,-0.2 5,-0.2 0.932 115.6 40.2 -57.2 -49.2 36.5 60.1 29.1 87 176 A L H X S+ 0 0 0 -4,-2.7 4,-2.9 1,-0.2 -2,-0.2 0.908 110.9 57.4 -67.4 -43.4 35.4 62.7 31.7 88 177 A G H < S+ 0 0 1 -4,-3.2 32,-0.3 -5,-0.2 -1,-0.2 0.824 115.2 39.8 -57.3 -29.7 31.8 62.2 30.9 89 178 A I H < S+ 0 0 0 -4,-1.8 -2,-0.2 -5,-0.2 -1,-0.2 0.931 126.2 29.4 -85.1 -50.5 32.3 58.5 31.8 90 179 A H H >< S- 0 0 7 -4,-2.8 3,-2.0 1,-0.2 -3,-0.2 0.585 79.0-175.6 -91.3 -10.9 34.6 58.6 34.8 91 180 A G T 3< S+ 0 0 2 -4,-2.9 -1,-0.2 1,-0.3 6,-0.1 -0.297 73.2 3.1 55.8-124.8 33.7 61.9 36.4 92 181 A R T 3 S+ 0 0 136 1,-0.1 2,-2.1 -2,-0.1 -1,-0.3 0.584 107.6 94.8 -69.7 -14.9 36.0 62.7 39.4 93 182 A D <> + 0 0 84 -3,-2.0 4,-1.9 1,-0.2 3,-0.5 -0.555 51.6 171.4 -79.9 77.7 38.1 59.5 38.9 94 183 A I H > S+ 0 0 22 -2,-2.1 4,-2.6 1,-0.2 -1,-0.2 0.848 70.8 57.7 -58.9 -38.5 40.7 61.5 36.8 95 184 A E H > S+ 0 0 169 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.880 108.1 48.0 -62.4 -35.6 43.2 58.6 36.7 96 185 A A H > S+ 0 0 13 -3,-0.5 4,-2.5 2,-0.2 5,-0.2 0.912 110.5 51.6 -69.2 -42.2 40.5 56.4 35.0 97 186 A A H X S+ 0 0 0 -4,-1.9 4,-2.8 1,-0.2 -2,-0.2 0.911 107.4 52.3 -61.0 -43.6 39.7 59.2 32.6 98 187 A L H X S+ 0 0 31 -4,-2.6 4,-2.4 2,-0.2 -1,-0.2 0.886 109.9 49.4 -60.9 -40.0 43.3 59.6 31.6 99 188 A E H X S+ 0 0 78 -4,-1.6 4,-2.8 2,-0.2 5,-0.3 0.960 113.0 45.3 -63.7 -51.6 43.6 55.9 30.9 100 189 A T H X S+ 0 0 0 -4,-2.5 4,-2.7 1,-0.2 5,-0.3 0.889 111.8 55.1 -60.1 -38.0 40.4 55.8 28.7 101 190 A Y H X S+ 0 0 0 -4,-2.8 4,-2.8 -5,-0.2 -1,-0.2 0.942 112.1 41.0 -60.5 -49.4 41.6 59.0 27.0 102 191 A N H X S+ 0 0 55 -4,-2.4 4,-1.6 2,-0.2 -2,-0.2 0.933 116.9 47.4 -66.4 -45.6 45.0 57.4 26.0 103 192 A L H <>S+ 0 0 16 -4,-2.8 5,-3.0 2,-0.2 6,-0.6 0.909 117.8 42.5 -63.1 -41.3 43.5 54.0 25.0 104 193 A M H ><5S+ 0 0 8 -4,-2.7 3,-1.2 -5,-0.3 -2,-0.2 0.916 114.8 49.3 -70.5 -42.8 40.8 55.7 23.0 105 194 A S H 3<5S+ 0 0 0 -4,-2.8 -1,-0.2 -5,-0.3 -2,-0.2 0.722 111.5 50.4 -68.5 -21.3 43.1 58.2 21.4 106 195 A L T 3<5S- 0 0 60 -4,-1.6 -1,-0.3 -5,-0.2 -2,-0.2 0.431 118.0-118.1 -93.5 -1.9 45.5 55.4 20.6 107 196 A K T < 5S+ 0 0 26 -3,-1.2 256,-0.2 2,-0.2 -3,-0.2 0.815 72.7 133.0 70.4 36.7 42.5 53.5 19.0 108 197 A Y S > - 0 0 10 244,-1.8 4,-1.7 -2,-0.2 3,-1.0 -0.208 47.3-100.7 -65.1 160.4 29.0 53.8 20.7 113 202 A S H 3> S+ 0 0 20 1,-0.3 4,-2.5 2,-0.2 5,-0.2 0.881 119.6 58.6 -50.0 -49.1 27.8 56.9 18.9 114 203 A P H 3> S+ 0 0 11 0, 0.0 4,-2.3 0, 0.0 -1,-0.3 0.864 109.1 47.7 -51.9 -34.9 25.3 58.0 21.5 115 204 A T H <> S+ 0 0 2 -3,-1.0 4,-2.1 11,-0.4 -2,-0.2 0.884 110.3 49.3 -73.5 -40.1 28.2 58.1 24.0 116 205 A L H < S+ 0 0 4 -4,-1.7 -1,-0.2 1,-0.2 -3,-0.1 0.828 117.7 43.8 -68.5 -30.5 30.5 60.0 21.7 117 206 A F H < S+ 0 0 34 -4,-2.5 -2,-0.2 -5,-0.2 -1,-0.2 0.941 128.8 19.6 -70.0 -62.2 27.7 62.5 21.1 118 207 A N H >< S+ 0 0 27 -4,-2.3 3,-2.4 7,-0.2 -3,-0.2 0.494 81.9 118.0 -93.8 -17.3 26.4 63.0 24.6 119 208 A A T 3< S+ 0 0 0 -4,-2.1 -31,-0.2 1,-0.3 -30,-0.1 -0.391 91.5 13.9 -59.4 129.1 28.9 62.0 27.2 120 209 A G T 3 S+ 0 0 2 1,-0.3 -92,-2.1 -32,-0.3 -1,-0.3 0.446 105.5 111.4 86.3 -1.0 29.8 65.0 29.2 121 210 A T S < S- 0 0 15 -3,-2.4 -1,-0.3 -94,-0.3 -94,-0.2 -0.594 84.1 -96.9-101.2 165.6 26.8 67.1 27.9 122 211 A P S S+ 0 0 64 0, 0.0 -93,-0.1 0, 0.0 -96,-0.1 0.839 120.5 35.2 -50.2 -45.1 23.7 68.2 29.9 123 212 A K S S- 0 0 108 2,-0.1 2,-2.0 277,-0.0 277,-0.1 -0.723 81.1-169.9-112.4 79.4 21.4 65.3 28.9 124 213 A P + 0 0 23 0, 0.0 276,-2.4 0, 0.0 2,-1.2 -0.459 14.6 167.8 -72.9 77.2 24.0 62.5 28.7 125 214 A Q + 0 0 0 -2,-2.0 -7,-0.2 274,-0.2 31,-0.2 -0.788 4.9 165.8 -91.8 95.5 21.9 59.8 27.0 126 215 A M + 0 0 1 -2,-1.2 -11,-0.4 269,-0.2 230,-0.3 0.486 34.2 104.5 -93.4 -4.0 24.8 57.4 26.2 127 216 A S - 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0 0 4 -4,-1.9 98,-0.4 -5,-0.4 -4,-0.1 0.818 21.1-169.1 41.1 48.6 23.0 46.3 34.8 415 504 A P - 0 0 0 0, 0.0 2,-0.3 0, 0.0 98,-0.2 -0.372 3.1-167.5 -68.1 146.4 23.4 44.6 31.4 416 505 A I - 0 0 0 96,-1.9 2,-0.2 -62,-0.1 -60,-0.1 -0.887 10.8-154.4-130.1 158.1 26.5 45.5 29.3 417 506 A A E -d 356 0C 0 -62,-1.6 -60,-1.2 -2,-0.3 97,-0.3 -0.669 9.7-177.2-143.3 89.6 27.5 44.9 25.7 418 507 A L E +de 357 514C 2 95,-3.5 97,-2.2 -2,-0.2 2,-0.2 -0.566 15.6 171.2 -81.4 146.4 31.1 44.8 24.5 419 508 A G E -d 358 0C 2 -62,-2.1 -60,-2.7 -2,-0.2 2,-0.3 -0.710 18.8-129.1-139.0-169.3 31.7 44.3 20.8 420 509 A V E -d 359 0C 2 -62,-0.3 2,-0.3 97,-0.3 111,-0.3 -0.864 12.2-173.1-141.7 174.0 34.4 44.4 18.2 421 510 A Q E +d 360 0C 0 -62,-1.2 -60,-1.8 -2,-0.3 109,-0.2 -0.943 65.3 48.1-162.2 156.8 35.5 45.8 14.9 422 511 A G > + 0 0 0 107,-1.9 4,-3.1 -2,-0.3 110,-0.1 0.676 59.8 134.8 80.6 17.7 38.4 45.1 12.6 423 512 A L H > S+ 0 0 0 108,-1.7 4,-2.6 106,-0.2 5,-0.2 0.960 79.4 44.7 -61.1 -50.2 38.1 41.3 12.6 424 513 A A H > S+ 0 0 3 109,-0.4 4,-2.3 107,-0.4 -1,-0.2 0.914 113.8 50.0 -58.8 -44.8 38.6 41.3 8.8 425 514 A D H > S+ 0 0 8 2,-0.2 4,-3.0 1,-0.2 5,-0.2 0.922 109.1 53.5 -59.3 -45.5 41.5 43.8 9.1 426 515 A T H X S+ 0 0 0 -4,-3.1 4,-2.4 1,-0.2 -2,-0.2 0.966 109.6 45.5 -54.3 -57.9 43.0 41.6 11.8 427 516 A F H <>S+ 0 0 2 -4,-2.6 5,-3.7 1,-0.2 -1,-0.2 0.885 113.8 51.6 -55.3 -39.5 43.0 38.5 9.6 428 517 A M H ><5S+ 0 0 13 -4,-2.3 3,-1.5 3,-0.2 -1,-0.2 0.939 109.1 47.7 -64.8 -46.9 44.3 40.5 6.7 429 518 A L H 3<5S+ 0 0 66 -4,-3.0 -1,-0.2 1,-0.3 -2,-0.2 0.888 115.4 46.0 -59.7 -40.0 47.3 42.0 8.7 430 519 A L T 3<5S- 0 0 24 -4,-2.4 -1,-0.3 -5,-0.2 -2,-0.2 0.387 115.1-123.5 -83.1 4.0 48.1 38.5 10.0 431 520 A R T < 5 + 0 0 93 -3,-1.5 -3,-0.2 -5,-0.2 -2,-0.1 0.915 59.9 147.9 54.0 49.7 47.7 37.3 6.4 432 521 A L < - 0 0 34 -5,-3.7 -1,-0.2 -6,-0.1 -2,-0.1 -0.951 50.3-123.6-119.7 116.6 45.0 34.8 7.3 433 522 A P > - 0 0 30 0, 0.0 3,-2.1 0, 0.0 6,-0.5 -0.290 23.1-125.1 -54.5 139.4 42.2 33.9 4.9 434 523 A F T 3 S+ 0 0 15 151,-0.4 152,-0.1 152,-0.3 151,-0.0 0.870 111.8 45.9 -55.2 -38.9 38.8 34.5 6.6 435 524 A D T 3 S+ 0 0 50 150,-0.3 -1,-0.3 4,-0.1 2,-0.1 0.112 93.5 114.7 -92.6 22.0 37.8 30.9 5.8 436 525 A S S <> S- 0 0 20 -3,-2.1 4,-1.6 1,-0.1 5,-0.1 -0.422 77.1-117.8 -89.5 167.5 41.1 29.4 7.0 437 526 A E H > S+ 0 0 113 2,-0.2 4,-1.6 1,-0.2 5,-0.1 0.803 115.9 53.7 -71.0 -31.3 41.7 27.1 9.9 438 527 A E H > S+ 0 0 110 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.915 107.6 48.6 -70.1 -44.1 44.0 29.8 11.5 439 528 A A H > S+ 0 0 0 -6,-0.5 4,-2.3 1,-0.2 -2,-0.2 0.872 108.6 55.6 -63.9 -36.2 41.3 32.5 11.3 440 529 A R H X S+ 0 0 99 -4,-1.6 4,-1.6 2,-0.2 -1,-0.2 0.908 110.0 44.7 -62.2 -43.4 38.8 30.1 12.9 441 530 A L H X S+ 0 0 55 -4,-1.6 4,-2.6 2,-0.2 -2,-0.2 0.921 112.3 51.2 -67.1 -46.0 41.1 29.5 15.9 442 531 A L H X S+ 0 0 11 -4,-2.4 4,-2.9 1,-0.2 5,-0.2 0.879 106.9 55.0 -59.2 -39.1 41.8 33.2 16.3 443 532 A N H X S+ 0 0 0 -4,-2.3 4,-1.9 1,-0.2 -1,-0.2 0.925 110.9 45.2 -59.2 -46.6 38.1 34.0 16.2 444 533 A I H X S+ 0 0 19 -4,-1.6 4,-1.9 2,-0.2 -2,-0.2 0.913 114.7 47.4 -63.4 -46.8 37.6 31.6 19.1 445 534 A Q H X S+ 0 0 24 -4,-2.6 4,-2.7 2,-0.2 5,-0.2 0.938 109.7 51.6 -63.7 -49.2 40.5 32.8 21.1 446 535 A I H X S+ 0 0 0 -4,-2.9 4,-2.3 1,-0.2 5,-0.2 0.937 114.7 42.7 -54.5 -50.0 39.7 36.5 20.7 447 536 A F H X S+ 0 0 1 -4,-1.9 4,-1.8 -5,-0.2 -1,-0.2 0.811 110.6 56.3 -69.9 -28.5 36.1 36.0 21.9 448 537 A E H X S+ 0 0 0 -4,-1.9 4,-2.8 -5,-0.2 -1,-0.2 0.955 111.4 43.5 -66.9 -46.7 37.2 33.7 24.7 449 538 A T H X S+ 0 0 0 -4,-2.7 4,-3.2 2,-0.2 5,-0.2 0.900 112.2 50.9 -66.1 -41.8 39.5 36.3 26.1 450 539 A I H X S+ 0 0 2 -4,-2.3 4,-2.4 -5,-0.2 -1,-0.2 0.899 114.7 45.9 -62.5 -37.9 37.1 39.2 25.7 451 540 A Y H X S+ 0 0 2 -4,-1.8 4,-2.2 2,-0.2 5,-0.2 0.940 114.6 45.8 -69.6 -47.6 34.4 37.1 27.5 452 541 A H H X S+ 0 0 7 -4,-2.8 4,-2.5 1,-0.2 -2,-0.2 0.959 115.7 47.9 -59.3 -50.5 36.8 36.0 30.3 453 542 A A H X S+ 0 0 0 -4,-3.2 4,-2.7 1,-0.2 5,-0.3 0.908 110.9 49.6 -57.9 -45.1 38.1 39.5 30.8 454 543 A S H X S+ 0 0 0 -4,-2.4 4,-2.0 -5,-0.2 -1,-0.2 0.904 115.0 44.1 -63.8 -39.4 34.6 41.1 30.8 455 544 A M H X S+ 0 0 7 -4,-2.2 4,-1.6 2,-0.2 -1,-0.2 0.822 112.6 53.0 -72.6 -33.5 33.4 38.6 33.4 456 545 A E H X S+ 0 0 54 -4,-2.5 4,-2.1 -5,-0.2 -2,-0.2 0.958 113.5 41.6 -67.3 -49.9 36.6 38.9 35.5 457 546 A A H X S+ 0 0 0 -4,-2.7 4,-2.7 1,-0.2 -2,-0.2 0.899 114.0 53.3 -64.0 -39.1 36.3 42.7 35.7 458 547 A S H X S+ 0 0 0 -4,-2.0 51,-2.2 -5,-0.3 4,-1.5 0.839 108.3 51.2 -64.1 -32.4 32.6 42.4 36.3 459 548 A C H X S+ 0 0 3 -4,-1.6 4,-1.6 49,-0.2 -1,-0.2 0.878 107.7 51.5 -72.4 -38.4 33.4 40.1 39.2 460 549 A E H >X S+ 0 0 56 -4,-2.1 4,-1.8 1,-0.2 3,-0.5 0.959 109.2 50.9 -62.4 -46.9 35.9 42.6 40.6 461 550 A L H 3X S+ 0 0 18 -4,-2.7 4,-3.7 1,-0.3 5,-0.4 0.857 106.5 54.9 -57.8 -36.2 33.2 45.2 40.5 462 551 A A H 3X S+ 0 0 4 -4,-1.5 4,-1.9 1,-0.2 -1,-0.3 0.851 106.4 51.4 -66.0 -33.8 30.8 42.9 42.3 463 552 A Q H << S+ 0 0 101 -4,-1.6 -1,-0.2 -3,-0.5 -2,-0.2 0.861 117.6 39.3 -70.5 -34.3 33.4 42.5 45.1 464 553 A K H < S+ 0 0 127 -4,-1.8 -2,-0.2 -5,-0.1 -3,-0.2 0.924 135.9 14.7 -80.8 -46.6 33.6 46.3 45.3 465 554 A D H < S- 0 0 104 -4,-3.7 -3,-0.2 1,-0.2 -2,-0.2 0.459 108.2-103.9-111.4 -2.0 30.0 47.3 44.9 466 555 A G < - 0 0 24 -4,-1.9 -1,-0.2 -5,-0.4 -3,-0.1 0.020 47.3 -63.7 94.4 153.7 28.0 44.1 45.3 467 556 A P - 0 0 57 0, 0.0 42,-0.2 0, 0.0 40,-0.1 -0.229 66.2 -84.4 -68.8 163.9 26.3 41.9 42.7 468 557 A Y > - 0 0 5 40,-1.6 3,-2.1 -55,-0.1 4,-0.3 -0.339 50.6-100.0 -65.9 155.0 23.5 43.3 40.5 469 558 A E T 3 S+ 0 0 134 -58,-0.4 3,-0.3 -57,-0.3 -56,-0.2 0.776 119.5 40.7 -45.7 -40.6 20.1 43.0 42.3 470 559 A T T 3 S+ 0 0 17 -58,-1.1 -1,-0.3 1,-0.2 -141,-0.1 0.114 80.6 108.8-101.8 23.5 18.9 40.0 40.4 471 560 A F X + 0 0 13 -3,-2.1 3,-2.0 2,-0.1 6,-0.4 0.887 55.9 86.5 -66.2 -38.9 22.1 38.0 40.4 472 561 A Q T 3 S+ 0 0 137 -3,-0.3 4,-0.0 -4,-0.3 6,-0.0 -0.469 96.6 22.4 -68.4 125.4 21.0 35.4 43.0 473 562 A G T 3 S+ 0 0 46 1,-0.4 -1,-0.3 -2,-0.3 -2,-0.1 0.325 94.7 124.7 102.1 -6.6 19.2 32.6 41.2 474 563 A S S X> S- 0 0 0 -3,-2.0 4,-0.9 1,-0.1 3,-0.8 -0.440 77.0-109.1 -83.2 159.1 20.8 33.3 37.8 475 564 A P G >4>S+ 0 0 11 0, 0.0 5,-3.1 0, 0.0 3,-1.1 0.905 120.8 56.2 -53.2 -40.5 22.7 30.6 35.9 476 565 A A G >45S+ 0 0 2 1,-0.3 3,-1.6 3,-0.2 31,-0.1 0.839 100.2 57.4 -61.6 -34.0 25.9 32.5 36.6 477 566 A S G <45S+ 0 0 9 -3,-0.8 -1,-0.3 -6,-0.4 -5,-0.1 0.713 107.4 49.5 -69.7 -19.6 25.2 32.3 40.4 478 567 A Q G <<5S- 0 0 111 -3,-1.1 -1,-0.3 -4,-0.9 -2,-0.2 0.145 127.3-100.8-102.5 15.8 25.1 28.5 40.0 479 568 A G T < 5S+ 0 0 8 -3,-1.6 2,-0.8 1,-0.2 -3,-0.2 0.668 80.0 137.2 75.0 16.4 28.4 28.4 38.1 480 569 A I < - 0 0 70 -5,-3.1 -1,-0.2 -6,-0.2 -2,-0.2 -0.862 29.9-178.6-100.1 108.2 26.7 28.2 34.7 481 570 A L >> - 0 0 2 -2,-0.8 4,-1.3 -3,-0.1 3,-0.7 -0.464 43.9 -86.4 -98.6 173.7 28.4 30.5 32.2 482 571 A Q G >4 S+ 0 0 1 1,-0.2 3,-0.8 2,-0.2 4,-0.2 0.886 125.7 46.4 -48.4 -52.8 27.5 31.1 28.5 483 572 A F G >4>S+ 0 0 0 1,-0.3 5,-2.1 2,-0.2 3,-1.3 0.796 105.4 61.4 -64.7 -25.9 29.5 28.2 27.0 484 573 A D G X45S+ 0 0 52 -3,-0.7 3,-1.5 1,-0.3 -1,-0.3 0.857 99.7 56.6 -64.9 -34.0 28.1 25.8 29.6 485 574 A M G <<5S+ 0 0 23 -4,-1.3 -1,-0.3 -3,-0.8 -2,-0.2 0.479 104.4 51.3 -76.4 -3.1 24.7 26.6 28.2 486 575 A W G < 5S- 0 0 27 -3,-1.3 -1,-0.3 -4,-0.2 -2,-0.2 0.196 115.4-121.8-110.4 8.0 26.0 25.4 24.8 487 576 A D T < 5S+ 0 0 145 -3,-1.5 2,-0.3 1,-0.2 -3,-0.2 0.842 70.7 125.1 52.4 40.9 27.2 22.3 26.5 488 577 A Q < - 0 0 86 -5,-2.1 -1,-0.2 119,-0.1 -2,-0.2 -0.809 63.6-117.4-123.9 164.4 30.8 22.9 25.4 489 578 A K - 0 0 168 -2,-0.3 -5,-0.0 -3,-0.1 0, 0.0 -0.802 41.7-107.2 -97.5 142.3 34.1 23.2 27.1 490 579 A P - 0 0 34 0, 0.0 -1,-0.1 0, 0.0 6,-0.0 -0.259 30.0-108.0 -65.2 160.3 35.8 26.6 26.7 491 580 A Y - 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