==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=9-NOV-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 02-MAY-11 3RSR . COMPND 2 MOLECULE: RIBONUCLEOSIDE-DIPHOSPHATE REDUCTASE LARGE CHAIN . SOURCE 2 ORGANISM_SCIENTIFIC: SACCHAROMYCES CEREVISIAE; . AUTHOR Q.WAN,F.MOHAMMED,S.JHA,E.MOTEA,A.BERDIS,C.G.DEALWIS . 610 7 1 0 1 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 23677.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 418 68.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 34 5.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 32 5.2 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 . 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 . 25 4.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 66 10.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 225 36.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 14 2.3 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 1 3 2 1 2 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 0 2 2 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 PARALLEL BRIDGES PER LADDER . 1 4 3 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 6 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 0 154 0, 0.0 2,-0.3 0, 0.0 74,-0.0 0.000 360.0 360.0 360.0 4.4 40.5 77.3 12.4 2 90 A T - 0 0 48 0, 0.0 2,-0.1 0, 0.0 74,-0.1 -0.998 360.0-100.9-147.8 142.9 39.9 76.0 15.9 3 91 A T - 0 0 62 -2,-0.3 75,-0.2 73,-0.2 6,-0.1 -0.420 27.8-155.9 -65.9 135.0 41.0 76.9 19.5 4 92 A K + 0 0 138 -2,-0.1 2,-0.3 73,-0.1 -1,-0.1 0.917 64.3 86.7 -79.4 -47.8 43.7 74.7 20.8 5 93 A Q >> - 0 0 99 1,-0.1 4,-2.2 2,-0.1 3,-0.6 -0.382 65.4-149.8 -69.3 123.2 43.4 74.8 24.6 6 94 A F H 3> S+ 0 0 4 -2,-0.3 4,-3.0 1,-0.3 5,-0.2 0.932 95.2 51.9 -57.9 -52.5 40.9 72.3 25.9 7 95 A S H 3> S+ 0 0 6 1,-0.2 4,-1.9 2,-0.2 -1,-0.3 0.804 110.3 52.1 -55.6 -29.2 39.8 74.2 28.9 8 96 A K H <> S+ 0 0 85 -3,-0.6 4,-2.7 2,-0.2 -1,-0.2 0.916 108.2 48.2 -74.5 -45.7 39.1 77.2 26.6 9 97 A V H X S+ 0 0 3 -4,-2.2 4,-2.5 2,-0.2 5,-0.3 0.935 111.9 51.3 -56.9 -45.0 37.0 75.2 24.2 10 98 A V H X S+ 0 0 5 -4,-3.0 4,-2.7 1,-0.2 -2,-0.2 0.923 108.6 52.3 -58.2 -42.5 35.1 73.9 27.3 11 99 A E H X S+ 0 0 54 -4,-1.9 4,-2.2 -5,-0.2 -2,-0.2 0.929 110.2 47.2 -56.1 -50.9 34.7 77.5 28.4 12 100 A D H X S+ 0 0 55 -4,-2.7 4,-0.9 2,-0.2 -2,-0.2 0.921 113.6 47.2 -59.8 -45.6 33.2 78.5 25.0 13 101 A L H < S+ 0 0 1 -4,-2.5 14,-2.5 1,-0.2 3,-0.4 0.899 114.9 47.3 -63.9 -41.2 30.8 75.5 24.9 14 102 A Y H < S+ 0 0 35 -4,-2.7 -1,-0.2 -5,-0.3 -2,-0.2 0.844 114.4 44.9 -68.5 -34.7 29.7 76.2 28.4 15 103 A R H < S+ 0 0 142 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.530 82.7 135.8 -90.8 -4.6 29.2 79.9 27.9 16 104 A Y < - 0 0 41 -4,-0.9 9,-2.6 -3,-0.4 2,-0.4 -0.082 34.1-166.7 -51.6 135.0 27.3 79.6 24.6 17 105 A V E -A 24 0A 68 7,-0.3 2,-0.9 8,-0.0 3,-0.1 -0.971 26.9-120.8-122.1 138.6 24.2 81.8 24.2 18 106 A N E >> -A 23 0A 54 5,-3.8 4,-1.8 -2,-0.4 5,-0.9 -0.740 26.5-160.4 -80.2 113.2 21.7 81.3 21.4 19 107 A A T 45S+ 0 0 82 -2,-0.9 -1,-0.2 1,-0.2 3,-0.0 0.881 82.4 59.0 -63.5 -45.0 21.9 84.7 19.8 20 108 A A T 45S+ 0 0 98 1,-0.2 -1,-0.2 -3,-0.1 -2,-0.1 0.823 122.7 23.6 -56.5 -39.9 18.5 84.6 18.0 21 109 A T T 45S- 0 0 85 -3,-0.5 -1,-0.2 2,-0.1 -2,-0.2 0.556 99.0-125.0-100.3 -12.0 16.6 84.1 21.2 22 110 A G T <5 + 0 0 52 -4,-1.8 -3,-0.2 1,-0.2 -2,-0.1 0.624 62.4 145.1 71.0 14.1 19.1 85.6 23.8 23 111 A K E < -A 18 0A 139 -5,-0.9 -5,-3.8 2,-0.0 -1,-0.2 -0.708 54.7-124.1 -91.1 129.0 18.9 82.3 25.7 24 112 A P E +A 17 0A 105 0, 0.0 -7,-0.3 0, 0.0 -8,-0.1 -0.517 32.0 179.8 -62.5 131.2 21.9 80.8 27.5 25 113 A A - 0 0 36 -9,-2.6 -9,-0.1 -2,-0.2 -10,-0.1 -0.606 9.8-162.3-138.9 75.1 22.4 77.3 26.0 26 114 A P - 0 0 59 0, 0.0 -12,-0.3 0, 0.0 -11,-0.1 -0.333 9.2-160.0 -63.7 136.6 25.4 75.7 27.6 27 115 A M S S+ 0 0 36 -14,-2.5 2,-0.4 -17,-0.2 -13,-0.2 0.336 73.3 62.1 -99.0 3.5 26.7 72.7 25.7 28 116 A I S S- 0 0 4 -15,-0.3 94,-0.3 94,-0.2 93,-0.1 -0.978 88.7-110.5-126.3 142.7 28.6 71.2 28.7 29 117 A S > - 0 0 21 92,-2.1 4,-2.7 -2,-0.4 5,-0.2 -0.351 24.0-122.4 -64.3 151.9 27.1 69.9 32.0 30 118 A D H > S+ 0 0 101 1,-0.2 4,-3.1 2,-0.2 5,-0.3 0.948 113.8 57.9 -52.6 -50.2 27.8 71.9 35.1 31 119 A D H > S+ 0 0 63 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.870 112.8 36.6 -50.2 -48.0 29.3 68.7 36.5 32 120 A V H > S+ 0 0 4 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.851 112.7 57.6 -80.6 -35.3 31.8 68.3 33.8 33 121 A Y H X S+ 0 0 20 -4,-2.7 4,-1.9 2,-0.2 -2,-0.2 0.971 109.6 46.1 -55.2 -53.0 32.5 72.0 33.4 34 122 A N H X S+ 0 0 69 -4,-3.1 4,-2.1 1,-0.2 5,-0.2 0.918 110.3 53.1 -54.1 -46.8 33.5 72.2 37.0 35 123 A I H X S+ 0 0 0 -4,-1.5 4,-1.0 -5,-0.3 -1,-0.2 0.881 108.7 50.0 -60.6 -39.1 35.7 69.1 36.8 36 124 A V H < S+ 0 0 0 -4,-2.3 3,-0.2 1,-0.2 -1,-0.2 0.911 110.0 50.5 -65.5 -40.9 37.6 70.5 33.9 37 125 A M H >< S+ 0 0 40 -4,-1.9 3,-0.6 1,-0.2 -2,-0.2 0.843 111.3 46.7 -69.2 -35.0 38.2 73.8 35.6 38 126 A E H 3< S+ 0 0 123 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.653 122.0 38.2 -78.3 -22.4 39.6 72.2 38.8 39 127 A N T 3X S+ 0 0 37 -4,-1.0 4,-2.7 -5,-0.2 3,-0.2 0.181 81.9 130.5-106.4 11.8 41.8 69.9 36.7 40 128 A K H <> S+ 0 0 81 -3,-0.6 4,-3.0 1,-0.2 5,-0.3 0.810 72.4 37.7 -40.9 -64.3 42.7 72.5 34.1 41 129 A D H > S+ 0 0 131 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.901 117.4 51.8 -59.8 -43.8 46.5 72.2 33.8 42 130 A K H > S+ 0 0 106 -3,-0.2 4,-1.2 1,-0.2 -1,-0.2 0.904 117.0 40.0 -56.6 -44.1 46.4 68.4 34.2 43 131 A L H X S+ 0 0 0 -4,-2.7 4,-1.0 -7,-0.2 -2,-0.2 0.927 112.3 51.6 -78.2 -45.5 43.8 68.1 31.4 44 132 A N H < S+ 0 0 25 -4,-3.0 3,-0.3 -5,-0.2 -1,-0.2 0.886 115.5 43.0 -57.1 -41.7 45.1 70.6 28.9 45 133 A S H < S+ 0 0 94 -4,-1.8 -1,-0.2 -5,-0.3 -2,-0.2 0.755 102.3 65.9 -80.6 -27.2 48.6 69.2 29.0 46 134 A A H < S+ 0 0 29 -4,-1.2 -1,-0.2 -5,-0.2 -2,-0.2 0.802 83.3 96.4 -63.3 -27.6 47.6 65.5 28.9 47 135 A I < - 0 0 11 -4,-1.0 2,-0.6 -3,-0.3 34,-0.0 -0.415 60.2-158.3 -74.2 135.1 46.2 66.0 25.4 48 136 A V > - 0 0 57 -2,-0.1 3,-1.5 1,-0.1 4,-0.1 -0.898 3.9-169.5-114.5 105.7 48.3 65.1 22.4 49 137 A Y G > S+ 0 0 38 -2,-0.6 3,-1.5 1,-0.3 4,-0.1 0.612 76.7 75.5 -76.3 -12.6 47.1 66.9 19.3 50 138 A D G > S+ 0 0 59 1,-0.3 3,-2.0 2,-0.1 -1,-0.3 0.797 82.6 73.5 -64.3 -25.1 49.3 65.0 16.8 51 139 A R G X S+ 0 0 47 -3,-1.5 3,-1.5 1,-0.3 -1,-0.3 0.585 73.3 79.4 -70.0 -8.8 46.8 62.2 17.3 52 140 A D G X S+ 0 0 31 -3,-1.5 3,-0.6 1,-0.2 -1,-0.3 0.686 86.2 63.3 -67.2 -14.6 44.2 64.1 15.3 53 141 A F G < S+ 0 0 167 -3,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.363 77.8 85.2 -90.6 5.2 46.1 62.8 12.3 54 142 A Q G < S+ 0 0 89 -3,-1.5 2,-0.4 52,-0.1 -1,-0.2 0.328 74.5 94.4 -87.1 6.7 45.3 59.2 13.1 55 143 A Y S < S- 0 0 35 -3,-0.6 451,-0.1 4,-0.0 450,-0.1 -0.833 74.4-126.1-103.8 139.1 42.0 59.5 11.2 56 144 A S > - 0 0 52 -2,-0.4 4,-3.4 449,-0.4 5,-0.3 -0.302 33.4-107.8 -66.9 160.7 41.3 58.6 7.6 57 145 A Y H > S+ 0 0 184 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.931 126.4 45.8 -56.8 -46.3 39.8 61.3 5.4 58 146 A F H > S+ 0 0 45 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.910 114.2 51.1 -59.9 -42.9 36.5 59.3 5.5 59 147 A G H > S+ 0 0 0 2,-0.2 4,-1.8 1,-0.2 -2,-0.2 0.943 112.1 42.5 -60.4 -53.9 37.0 58.9 9.3 60 148 A F H X S+ 0 0 71 -4,-3.4 4,-3.3 1,-0.2 5,-0.2 0.900 111.7 54.8 -63.7 -42.4 37.6 62.6 10.1 61 149 A K H X S+ 0 0 84 -4,-2.2 4,-2.6 -5,-0.3 -1,-0.2 0.844 106.1 52.9 -60.3 -34.3 34.8 63.8 7.9 62 150 A T H X>S+ 0 0 37 -4,-1.6 4,-1.5 2,-0.2 5,-0.6 0.945 112.8 44.2 -64.8 -47.8 32.4 61.6 9.7 63 151 A L H X>S+ 0 0 4 -4,-1.8 5,-2.1 1,-0.2 4,-0.9 0.937 115.6 47.8 -58.6 -51.3 33.5 63.0 13.0 64 152 A E H <5S+ 0 0 54 -4,-3.3 -2,-0.2 1,-0.2 -1,-0.2 0.913 110.4 50.3 -60.4 -46.9 33.4 66.6 11.7 65 153 A R H <5S+ 0 0 64 -4,-2.6 -1,-0.2 -5,-0.2 -2,-0.2 0.853 134.4 1.4 -59.9 -35.8 30.0 66.4 10.0 66 154 A S H <5S+ 0 0 70 -4,-1.5 -3,-0.2 -5,-0.2 -2,-0.2 0.799 125.4 43.6-120.9 -58.5 28.3 64.9 13.1 67 155 A Y T < S-B 74 0B 35 3,-3.9 3,-1.8 -2,-0.3 -58,-0.0 -0.981 85.9 -16.3-122.4 119.0 29.1 76.9 17.9 72 160 A N T 3 S- 0 0 117 -2,-0.5 -1,-0.2 1,-0.3 3,-0.1 0.943 130.0 -52.0 51.7 51.3 26.9 78.8 15.5 73 161 A G T 3 S+ 0 0 60 1,-0.2 2,-0.4 -3,-0.1 -1,-0.3 0.438 118.4 115.6 68.5 -2.0 27.3 76.2 12.9 74 162 A Q E < S-B 71 0B 58 -3,-1.8 -3,-3.9 1,-0.0 2,-0.4 -0.843 74.4-114.3-101.1 136.2 31.1 76.3 13.3 75 163 A V E +B 70 0B 42 -2,-0.4 -5,-0.3 -5,-0.3 -6,-0.1 -0.555 35.5 174.1 -70.4 118.9 33.0 73.3 14.6 76 164 A A + 0 0 18 -7,-2.4 2,-0.3 -2,-0.4 -73,-0.2 0.794 54.3 75.5 -87.1 -40.6 34.5 74.2 18.0 77 165 A E - 0 0 4 -8,-1.7 -9,-0.1 -75,-0.1 -73,-0.1 -0.579 62.2-151.6 -85.3 135.8 35.9 70.8 19.0 78 166 A R >> - 0 0 55 -2,-0.3 4,-1.9 -75,-0.2 3,-1.1 -0.693 40.0-103.8 -88.4 155.7 39.0 69.0 17.8 79 167 A P H 3> S+ 0 0 6 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.878 124.0 54.4 -47.8 -41.4 38.8 65.3 17.8 80 168 A Q H 3> S+ 0 0 0 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.855 105.7 53.0 -64.7 -33.1 41.1 65.3 20.9 81 169 A H H <> S+ 0 0 0 -3,-1.1 4,-2.8 2,-0.2 -1,-0.2 0.896 108.7 49.8 -65.6 -40.0 38.6 67.6 22.7 82 170 A L H X S+ 0 0 5 -4,-1.9 4,-3.2 2,-0.2 -2,-0.2 0.956 109.6 51.2 -64.7 -45.5 35.8 65.2 21.9 83 171 A I H X S+ 0 0 6 -4,-2.5 4,-2.7 1,-0.2 -2,-0.2 0.910 113.4 44.1 -58.9 -43.5 37.7 62.3 23.3 84 172 A M H X S+ 0 0 0 -4,-2.1 4,-2.4 2,-0.2 -1,-0.2 0.885 111.7 52.8 -70.4 -40.8 38.6 64.1 26.5 85 173 A R H X S+ 0 0 5 -4,-2.8 4,-2.8 2,-0.2 5,-0.2 0.957 112.4 46.6 -54.2 -48.6 35.0 65.4 26.9 86 174 A V H X S+ 0 0 0 -4,-3.2 4,-2.1 1,-0.2 -2,-0.2 0.933 110.6 52.0 -60.6 -46.2 33.9 61.7 26.5 87 175 A A H X S+ 0 0 0 -4,-2.7 4,-2.6 1,-0.2 -1,-0.2 0.886 114.2 43.2 -57.5 -40.7 36.4 60.5 29.0 88 176 A L H X S+ 0 0 0 -4,-2.4 4,-3.0 2,-0.2 -1,-0.2 0.892 109.4 54.9 -76.1 -41.1 35.3 63.0 31.6 89 177 A G H < S+ 0 0 2 -4,-2.8 -1,-0.2 -5,-0.2 -2,-0.2 0.863 116.0 41.4 -56.5 -36.5 31.6 62.5 31.0 90 178 A I H < S+ 0 0 0 -4,-2.1 -2,-0.2 -5,-0.2 -1,-0.2 0.939 126.5 29.5 -75.6 -50.1 32.2 58.8 31.6 91 179 A H H >< S- 0 0 5 -4,-2.6 3,-1.7 -5,-0.2 2,-0.2 0.678 79.8-175.4 -90.6 -16.9 34.6 59.0 34.6 92 180 A G T 3< S+ 0 0 1 -4,-3.0 -1,-0.2 1,-0.3 -2,-0.1 -0.388 73.5 2.3 58.6-123.8 33.6 62.2 36.3 93 181 A R T 3 S+ 0 0 125 -2,-0.2 2,-1.5 1,-0.1 -1,-0.3 0.522 106.6 97.6 -73.7 -5.1 35.9 63.0 39.2 94 182 A D <> + 0 0 83 -3,-1.7 4,-2.3 1,-0.2 -1,-0.1 -0.640 47.0 171.0 -89.6 95.2 38.2 60.0 38.6 95 183 A I H > S+ 0 0 17 -2,-1.5 4,-2.8 2,-0.2 5,-0.2 0.832 72.5 57.7 -76.8 -34.8 40.9 61.8 36.6 96 184 A E H > S+ 0 0 71 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.956 111.7 42.7 -60.6 -48.4 43.2 58.8 36.6 97 185 A A H > S+ 0 0 15 1,-0.2 4,-2.8 2,-0.2 -2,-0.2 0.903 112.7 54.2 -63.5 -39.6 40.6 56.7 34.9 98 186 A A H X S+ 0 0 0 -4,-2.3 4,-3.2 1,-0.2 -2,-0.2 0.910 108.9 48.1 -62.1 -40.5 39.7 59.6 32.6 99 187 A L H X S+ 0 0 30 -4,-2.8 4,-3.0 2,-0.2 -1,-0.2 0.904 110.7 50.8 -68.5 -40.8 43.3 59.9 31.5 100 188 A E H X S+ 0 0 86 -4,-2.1 4,-2.8 2,-0.2 5,-0.3 0.962 113.8 44.5 -59.7 -51.1 43.6 56.2 30.8 101 189 A T H X S+ 0 0 0 -4,-2.8 4,-2.8 1,-0.2 5,-0.4 0.959 112.2 53.6 -59.0 -48.3 40.4 56.2 28.8 102 190 A Y H X S+ 0 0 0 -4,-3.2 4,-2.3 -5,-0.2 -2,-0.2 0.922 112.4 44.3 -49.0 -49.8 41.6 59.4 27.0 103 191 A N H X S+ 0 0 61 -4,-3.0 4,-2.1 2,-0.2 -2,-0.2 0.960 114.4 46.3 -64.3 -51.8 44.9 57.7 26.1 104 192 A L H <>S+ 0 0 26 -4,-2.8 5,-2.8 1,-0.2 6,-0.5 0.921 117.1 43.4 -58.4 -46.3 43.5 54.4 24.9 105 193 A M H ><5S+ 0 0 11 -4,-2.8 3,-1.6 -5,-0.3 -1,-0.2 0.925 112.8 52.4 -64.7 -42.7 40.7 56.0 22.8 106 194 A S H 3<5S+ 0 0 1 -4,-2.3 -1,-0.2 -5,-0.4 -2,-0.2 0.811 111.4 46.5 -66.6 -28.9 43.1 58.6 21.4 107 195 A L T 3<5S- 0 0 81 -4,-2.1 -1,-0.3 -5,-0.2 -2,-0.2 0.297 119.7-118.1 -90.3 4.7 45.5 55.8 20.4 108 196 A K T < 5S+ 0 0 39 -3,-1.6 -3,-0.2 2,-0.2 238,-0.2 0.791 70.8 136.0 69.1 35.0 42.5 54.0 19.0 109 197 A Y S > - 0 0 9 226,-1.7 4,-1.7 -2,-0.3 3,-1.0 -0.209 45.2-101.7 -62.6 156.7 29.0 54.1 20.7 114 202 A S H 3> S+ 0 0 28 1,-0.3 4,-2.8 2,-0.2 5,-0.2 0.830 119.0 55.0 -46.4 -47.4 27.7 57.2 18.8 115 203 A P H 3> S+ 0 0 11 0, 0.0 4,-2.8 0, 0.0 5,-0.3 0.851 108.3 51.3 -60.3 -33.1 25.3 58.4 21.4 116 204 A T H <> S+ 0 0 2 -3,-1.0 4,-2.5 11,-0.5 -2,-0.2 0.931 110.8 46.7 -68.9 -44.6 28.2 58.4 23.9 117 205 A L H < S+ 0 0 5 -4,-1.7 -1,-0.2 1,-0.2 -3,-0.1 0.903 117.9 44.6 -61.5 -43.9 30.4 60.5 21.6 118 206 A F H < S+ 0 0 68 -4,-2.8 -2,-0.2 -5,-0.2 -1,-0.2 0.943 129.1 19.9 -60.7 -57.8 27.5 62.8 20.9 119 207 A N H >< S+ 0 0 39 -4,-2.8 3,-2.3 7,-0.2 -3,-0.2 0.566 82.1 120.8-103.4 -9.4 26.2 63.3 24.4 120 208 A A T 3< S+ 0 0 0 -4,-2.5 -31,-0.1 1,-0.3 -32,-0.1 -0.331 90.0 9.7 -61.1 131.3 28.8 62.4 27.0 121 209 A G T 3 S+ 0 0 3 1,-0.3 -92,-2.1 -32,-0.2 -1,-0.3 0.505 104.7 114.7 80.7 2.1 29.6 65.4 29.2 122 210 A T S < S- 0 0 16 -3,-2.3 -1,-0.3 -94,-0.3 -94,-0.2 -0.521 84.3 -96.0 -97.3 173.8 26.7 67.4 27.8 123 211 A P S S+ 0 0 75 0, 0.0 -93,-0.1 0, 0.0 -96,-0.1 0.732 123.0 36.4 -65.1 -27.1 23.6 68.6 29.9 124 212 A K S S- 0 0 46 -5,-0.1 2,-2.5 2,-0.1 257,-0.1 -0.701 81.4-170.7-120.1 76.9 21.4 65.6 28.8 125 213 A P + 0 0 28 0, 0.0 256,-2.0 0, 0.0 2,-1.2 -0.382 14.0 167.7 -77.5 74.7 24.1 62.9 28.7 126 214 A Q + 0 0 2 -2,-2.5 -7,-0.2 254,-0.2 31,-0.2 -0.723 2.2 165.1 -92.2 99.8 22.1 60.2 27.0 127 215 A M + 0 0 2 -2,-1.2 -11,-0.5 249,-0.2 212,-0.3 0.472 33.6 106.7 -99.9 -3.6 24.8 57.7 26.2 128 216 A S - 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0 0 15 -4,-1.1 2,-0.7 -3,-0.3 -254,-0.2 -0.292 63.3-127.4 -70.1 147.4 23.5 58.1 32.1 381 466 A Y - 0 0 98 -256,-2.0 -253,-0.2 -257,-0.1 -1,-0.1 -0.869 26.2-151.0 -91.6 114.6 20.6 60.4 31.4 382 467 A Y - 0 0 36 -2,-0.7 -256,-0.0 1,-0.1 6,-0.0 -0.784 9.5-158.3 -93.6 122.5 17.5 58.2 31.3 383 468 A P S S+ 0 0 20 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.762 79.5 21.3 -68.8 -29.4 14.6 59.5 29.0 384 469 A V S >> S- 0 0 12 -50,-0.1 4,-1.4 1,-0.1 3,-0.7 -0.978 75.4-121.4-141.7 154.7 12.0 57.4 30.9 385 470 A E H 3> S+ 0 0 106 -2,-0.3 4,-2.7 1,-0.2 5,-0.2 0.839 108.2 63.6 -65.8 -33.9 11.7 55.8 34.3 386 471 A E H 3> S+ 0 0 39 1,-0.2 4,-2.1 2,-0.2 -52,-1.7 0.882 105.3 47.9 -56.7 -35.3 11.2 52.3 32.8 387 472 A A H <> S+ 0 0 0 -3,-0.7 4,-2.5 -54,-0.2 -1,-0.2 0.883 110.2 49.3 -76.7 -39.6 14.7 52.5 31.4 388 473 A R H X S+ 0 0 92 -4,-1.4 4,-2.5 2,-0.2 5,-0.2 0.928 111.6 50.6 -62.8 -45.6 16.4 53.7 34.5 389 474 A K H X S+ 0 0 57 -4,-2.7 4,-1.8 2,-0.2 -2,-0.2 0.953 112.2 46.7 -59.3 -50.2 14.7 50.9 36.5 390 475 A S H X S+ 0 0 2 -4,-2.1 4,-2.1 -5,-0.2 5,-0.5 0.964 115.1 44.1 -54.9 -57.3 15.8 48.3 34.1 391 476 A N H X S+ 0 0 0 -4,-2.5 4,-1.8 -57,-0.3 -1,-0.2 0.885 113.5 50.0 -59.3 -40.9 19.4 49.4 33.8 392 477 A M H < S+ 0 0 47 -4,-2.5 58,-0.4 -5,-0.2 -1,-0.2 0.820 113.8 45.9 -71.5 -30.1 19.9 49.9 37.6 393 478 A R H < S+ 0 0 81 -4,-1.8 58,-0.9 -3,-0.3 57,-0.8 0.899 129.5 17.0 -76.3 -49.5 18.5 46.5 38.4 394 479 A H H < S- 0 0 2 -4,-2.1 98,-2.3 -5,-0.2 99,-0.3 0.552 80.9-154.1-105.3 -9.4 20.3 44.2 36.0 395 480 A R < - 0 0 6 -4,-1.8 98,-0.3 -5,-0.5 2,-0.2 0.799 23.2-179.6 36.5 51.6 23.2 46.4 34.8 396 481 A P - 0 0 0 0, 0.0 2,-0.3 0, 0.0 -58,-0.2 -0.527 4.4-174.8 -77.1 144.5 23.6 44.7 31.4 397 482 A I - 0 0 0 96,-2.0 2,-0.3 -2,-0.2 -58,-0.2 -0.859 16.1-142.1-128.7 165.1 26.4 46.0 29.1 398 483 A A E -d 339 0C 1 -60,-2.3 -58,-1.2 -2,-0.3 2,-0.3 -0.780 10.5-167.8-134.0 103.8 27.3 45.1 25.6 399 484 A L E +de 340 495C 1 95,-2.8 97,-1.5 -2,-0.3 -58,-0.2 -0.637 16.5 177.5 -82.6 132.4 31.0 45.0 24.4 400 485 A G E -d 341 0C 4 -60,-2.9 -58,-2.5 -2,-0.3 2,-0.3 -0.585 16.2-135.9-114.0-169.5 31.5 44.8 20.7 401 486 A V E -d 342 0C 2 -60,-0.3 2,-0.3 97,-0.2 110,-0.2 -0.931 8.6-162.6-138.1 164.6 34.4 44.7 18.3 402 487 A Q E +d 343 0C 0 -60,-1.9 -58,-2.3 -2,-0.3 108,-0.2 -0.970 66.3 34.9-140.0 160.6 35.4 46.2 15.0 403 488 A G > + 0 0 0 106,-1.7 4,-2.2 -2,-0.3 107,-0.1 0.793 59.3 140.4 73.3 30.8 38.0 45.4 12.4 404 489 A L H > S+ 0 0 0 105,-0.2 4,-2.2 2,-0.2 5,-0.1 0.919 80.1 46.6 -64.4 -44.2 37.9 41.6 12.6 405 490 A A H > S+ 0 0 6 108,-0.5 4,-2.2 2,-0.2 -1,-0.2 0.920 111.5 51.0 -62.6 -45.3 38.2 41.5 8.8 406 491 A D H > S+ 0 0 7 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.905 108.6 53.5 -56.7 -44.0 41.1 44.0 9.0 407 492 A T H X S+ 0 0 0 -4,-2.2 4,-1.9 1,-0.2 -1,-0.2 0.925 107.4 49.1 -59.5 -47.5 42.7 41.8 11.6 408 493 A F H <>S+ 0 0 2 -4,-2.2 5,-3.4 1,-0.2 -1,-0.2 0.922 113.9 47.2 -59.4 -43.6 42.6 38.7 9.4 409 494 A M H ><5S+ 0 0 30 -4,-2.2 3,-1.4 3,-0.2 -2,-0.2 0.897 108.9 51.8 -67.9 -43.4 44.0 40.6 6.5 410 495 A L H 3<5S+ 0 0 66 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.873 113.3 46.8 -59.1 -36.4 46.9 42.3 8.4 411 496 A L T 3<5S- 0 0 27 -4,-1.9 -1,-0.3 -5,-0.2 -2,-0.2 0.406 116.5-116.9 -89.2 3.0 47.8 38.8 9.7 412 497 A R T < 5 + 0 0 128 -3,-1.4 -3,-0.2 1,-0.2 -2,-0.1 0.863 64.9 145.8 66.0 37.0 47.6 37.3 6.2 413 498 A L < - 0 0 32 -5,-3.4 -1,-0.2 -6,-0.2 -2,-0.1 -0.932 48.4-132.4-110.6 118.1 44.7 35.0 7.1 414 499 A P > - 0 0 28 0, 0.0 3,-1.7 0, 0.0 6,-0.5 -0.407 25.6-121.1 -58.2 143.5 42.0 34.1 4.6 415 500 A F T 3 S+ 0 0 17 137,-0.4 138,-0.1 1,-0.3 139,-0.0 0.867 112.2 45.9 -59.2 -37.0 38.6 34.5 6.3 416 501 A D T 3 S+ 0 0 69 136,-0.3 -1,-0.3 4,-0.1 2,-0.0 0.318 92.4 115.5 -89.7 4.7 37.7 30.9 5.7 417 502 A S S <> S- 0 0 16 -3,-1.7 4,-2.4 1,-0.1 5,-0.1 -0.304 77.5-118.5 -76.6 159.0 41.1 29.5 6.8 418 503 A E H > S+ 0 0 107 1,-0.2 4,-1.7 2,-0.2 5,-0.1 0.790 116.2 55.9 -63.1 -29.3 41.7 27.3 9.8 419 504 A E H > S+ 0 0 109 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.891 108.2 45.3 -72.7 -41.5 43.9 30.1 11.2 420 505 A A H > S+ 0 0 0 -6,-0.5 4,-2.9 2,-0.2 5,-0.2 0.936 110.0 56.5 -64.1 -44.9 41.1 32.7 11.1 421 506 A R H X S+ 0 0 95 -4,-2.4 4,-1.6 1,-0.2 -2,-0.2 0.888 111.8 42.3 -54.4 -42.6 38.7 30.1 12.6 422 507 A L H X S+ 0 0 46 -4,-1.7 4,-2.3 2,-0.2 -1,-0.2 0.908 112.9 50.8 -71.6 -45.1 41.0 29.7 15.6 423 508 A L H X S+ 0 0 10 -4,-2.2 4,-2.8 2,-0.2 5,-0.2 0.902 107.2 56.6 -60.5 -39.4 41.8 33.4 16.0 424 509 A N H X S+ 0 0 0 -4,-2.9 4,-1.8 1,-0.2 -1,-0.2 0.954 110.0 44.0 -54.5 -52.7 38.1 34.1 15.9 425 510 A I H X S+ 0 0 17 -4,-1.6 4,-1.9 -5,-0.2 -1,-0.2 0.858 114.3 49.7 -60.4 -39.8 37.5 31.7 18.8 426 511 A Q H X S+ 0 0 25 -4,-2.3 4,-2.5 2,-0.2 -2,-0.2 0.916 107.9 52.6 -70.5 -43.2 40.5 33.0 20.8 427 512 A I H X S+ 0 0 0 -4,-2.8 4,-2.0 1,-0.2 -1,-0.2 0.917 113.4 43.6 -58.4 -43.6 39.5 36.7 20.5 428 513 A F H X S+ 0 0 0 -4,-1.8 4,-2.4 -5,-0.2 5,-0.2 0.854 111.2 52.7 -77.9 -30.6 36.0 36.1 21.8 429 514 A E H X S+ 0 0 0 -4,-1.9 4,-2.7 -5,-0.2 5,-0.2 0.928 111.1 49.8 -63.6 -45.6 37.1 33.8 24.6 430 515 A T H X S+ 0 0 0 -4,-2.5 4,-3.1 2,-0.2 5,-0.2 0.913 112.1 45.5 -56.8 -49.2 39.5 36.5 25.7 431 516 A I H X S+ 0 0 1 -4,-2.0 4,-2.7 2,-0.2 5,-0.2 0.922 114.4 48.0 -68.2 -41.5 37.0 39.3 25.6 432 517 A Y H X S+ 0 0 3 -4,-2.4 4,-2.1 2,-0.2 5,-0.2 0.936 115.3 45.3 -61.2 -47.7 34.3 37.3 27.4 433 518 A H H X S+ 0 0 6 -4,-2.7 4,-2.5 -5,-0.2 -2,-0.2 0.953 114.1 48.8 -61.8 -50.9 36.9 36.2 30.1 434 519 A A H X S+ 0 0 0 -4,-3.1 4,-3.0 1,-0.2 5,-0.2 0.937 112.5 47.6 -53.5 -49.1 38.2 39.7 30.5 435 520 A S H X S+ 0 0 0 -4,-2.7 4,-2.5 1,-0.2 -1,-0.2 0.871 113.5 46.9 -67.9 -34.3 34.8 41.3 30.8 436 521 A M H X S+ 0 0 8 -4,-2.1 4,-2.1 -5,-0.2 -1,-0.2 0.835 112.5 51.3 -72.3 -34.7 33.6 38.7 33.4 437 522 A E H X S+ 0 0 60 -4,-2.5 4,-2.5 -5,-0.2 -2,-0.2 0.952 113.5 43.5 -66.1 -48.1 36.8 39.2 35.3 438 523 A A H X S+ 0 0 0 -4,-3.0 4,-2.3 1,-0.2 -2,-0.2 0.941 114.8 50.0 -62.1 -43.6 36.4 43.0 35.4 439 524 A S H X S+ 0 0 0 -4,-2.5 4,-1.8 -5,-0.2 51,-1.1 0.860 109.6 51.1 -64.7 -36.5 32.7 42.6 36.2 440 525 A C H X S+ 0 0 4 -4,-2.1 4,-1.7 49,-0.2 -1,-0.2 0.927 107.6 53.3 -64.8 -47.1 33.5 40.2 39.1 441 526 A E H X S+ 0 0 72 -4,-2.5 4,-1.9 1,-0.2 3,-0.2 0.919 108.8 49.6 -48.7 -48.2 36.1 42.7 40.4 442 527 A L H X S+ 0 0 22 -4,-2.3 4,-3.6 1,-0.2 5,-0.4 0.864 106.3 55.9 -64.5 -35.2 33.4 45.4 40.4 443 528 A A H X S+ 0 0 5 -4,-1.8 4,-1.7 45,-0.2 -1,-0.2 0.853 105.6 51.9 -64.5 -33.1 31.0 43.1 42.3 444 529 A Q H < S+ 0 0 102 -4,-1.7 -2,-0.2 -3,-0.2 -1,-0.2 0.930 118.4 37.8 -67.6 -41.7 33.6 42.7 45.0 445 530 A K H < S+ 0 0 160 -4,-1.9 -2,-0.2 -5,-0.2 -3,-0.2 0.963 136.5 14.8 -70.6 -56.6 33.9 46.5 45.3 446 531 A D H < S- 0 0 91 -4,-3.6 -3,-0.2 1,-0.2 -2,-0.2 0.473 108.6-102.8-102.1 -3.9 30.2 47.5 44.8 447 532 A G < - 0 0 23 -4,-1.7 -1,-0.2 -5,-0.4 -3,-0.1 -0.068 45.7 -68.1 92.5 156.1 28.2 44.4 45.2 448 533 A P - 0 0 56 0, 0.0 42,-0.3 0, 0.0 40,-0.1 -0.275 65.5 -80.1 -71.5 165.4 26.5 42.2 42.6 449 534 A Y > - 0 0 6 40,-1.6 3,-1.8 -55,-0.1 4,-0.3 -0.304 49.6-103.9 -66.0 158.4 23.6 43.4 40.5 450 535 A E T 3 S+ 0 0 144 -57,-0.8 3,-0.3 -58,-0.4 -56,-0.1 0.746 118.5 41.4 -59.0 -32.1 20.3 43.2 42.3 451 536 A T T 3 S+ 0 0 19 -58,-0.9 -1,-0.3 1,-0.2 4,-0.1 0.249 80.0 109.4 -99.9 7.5 19.0 40.1 40.5 452 537 A F X + 0 0 11 -3,-1.8 3,-1.9 37,-0.1 6,-0.4 0.853 56.3 88.0 -51.6 -40.5 22.3 38.1 40.4 453 538 A Q T 3 S+ 0 0 138 -4,-0.3 4,-0.0 -3,-0.3 6,-0.0 -0.461 95.8 19.8 -71.8 126.8 21.1 35.5 42.9 454 539 A G T 3 S+ 0 0 47 1,-0.4 -1,-0.3 -2,-0.3 -2,-0.1 0.335 95.7 126.6 98.2 -5.5 19.3 32.6 41.2 455 540 A S S X> S- 0 0 0 -3,-1.9 4,-1.2 -4,-0.1 3,-0.9 -0.454 76.6-109.7 -78.1 156.5 20.9 33.4 37.8 456 541 A P G >4>S+ 0 0 10 0, 0.0 5,-2.6 0, 0.0 3,-1.0 0.920 120.8 56.0 -49.9 -45.1 22.8 30.8 35.8 457 542 A A G >45S+ 0 0 2 1,-0.3 3,-1.2 3,-0.2 31,-0.1 0.794 101.3 55.9 -59.5 -32.4 26.0 32.7 36.6 458 543 A S G <45S+ 0 0 10 -3,-0.9 -1,-0.3 -6,-0.4 -5,-0.1 0.797 106.9 51.2 -69.0 -25.4 25.3 32.4 40.3 459 544 A Q G <<5S- 0 0 120 -4,-1.2 -1,-0.2 -3,-1.0 -2,-0.2 0.229 126.6-103.1 -90.5 7.7 25.1 28.6 39.8 460 545 A G T < 5S+ 0 0 10 -3,-1.2 2,-0.8 1,-0.2 -3,-0.2 0.624 78.7 138.1 79.0 14.3 28.5 28.6 38.0 461 546 A I < - 0 0 67 -5,-2.6 -1,-0.2 -6,-0.2 -2,-0.2 -0.831 29.9-176.5 -95.2 109.5 26.9 28.3 34.5 462 547 A L >> - 0 0 3 -2,-0.8 4,-1.0 -3,-0.1 3,-0.5 -0.419 42.9 -87.8 -97.0 178.5 28.6 30.6 32.1 463 548 A Q H >> S+ 0 0 1 1,-0.3 3,-1.2 2,-0.2 4,-0.6 0.905 125.1 48.8 -58.5 -49.9 27.6 31.2 28.4 464 549 A F H >4>S+ 0 0 0 1,-0.3 5,-2.5 2,-0.2 3,-0.8 0.809 104.6 62.1 -63.4 -26.9 29.6 28.3 26.8 465 550 A D H X45S+ 0 0 54 -3,-0.5 3,-1.4 1,-0.2 -1,-0.3 0.848 99.4 54.9 -61.3 -34.5 28.2 26.0 29.5 466 551 A M H <<5S+ 0 0 24 -3,-1.2 -1,-0.2 -4,-1.0 -2,-0.2 0.572 105.1 51.8 -82.4 -9.3 24.7 26.7 28.1 467 552 A W T <<5S- 0 0 25 -3,-0.8 -1,-0.3 -4,-0.6 -2,-0.2 0.181 116.0-122.9 -94.8 7.0 26.0 25.6 24.7 468 553 A D T < 5 + 0 0 152 -3,-1.4 2,-0.3 1,-0.2 -3,-0.2 0.869 69.3 129.6 47.0 44.8 27.2 22.5 26.5 469 554 A Q < - 0 0 94 -5,-2.5 -1,-0.2 105,-0.1 -2,-0.2 -0.880 61.1-121.8-122.3 157.1 30.7 23.2 25.2 470 555 A K - 0 0 110 -2,-0.3 -5,-0.0 -3,-0.1 2,-0.0 -0.750 39.1-110.8 -88.3 144.0 34.1 23.4 26.9 471 556 A P - 0 0 33 0, 0.0 -1,-0.1 0, 0.0 6,-0.0 -0.317 27.9-107.3 -70.2 162.2 35.9 26.7 26.4 472 557 A Y - 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