==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=8-APR-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 27-MAY-11 3S8B . COMPND 2 MOLECULE: RIBONUCLEOSIDE-DIPHOSPHATE REDUCTASE LARGE CHAIN . SOURCE 2 ORGANISM_SCIENTIFIC: SACCHAROMYCES CEREVISIAE S288C; . AUTHOR M.F.AHMAD,P.S.KAUSHAL,Q.WAN,S.R.WIJERATNA,M.HUANG,C.D.DEALWI . 659 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 26117.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 449 68.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 35 5.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 29 4.4 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 . 31 4.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 75 11.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 236 35.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 13 2.0 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 0 1 3 3 3 3 2 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 3 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 . 3 3 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 4 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 80 A R > 0 0 74 0, 0.0 4,-1.4 0, 0.0 3,-0.3 0.000 360.0 360.0 360.0 167.8 45.6 65.6 5.9 2 81 A I H > + 0 0 131 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.895 360.0 59.5 -56.9 -45.5 44.5 69.2 5.1 3 82 A A H > S+ 0 0 19 1,-0.2 4,-1.1 2,-0.2 -1,-0.2 0.835 103.9 49.2 -57.8 -39.6 41.1 68.8 6.9 4 83 A I H > S+ 0 0 1 -3,-0.3 4,-1.9 2,-0.2 3,-0.3 0.900 110.9 50.7 -67.3 -41.8 42.7 68.1 10.3 5 84 A S H X S+ 0 0 60 -4,-1.4 4,-1.1 1,-0.2 -2,-0.2 0.885 105.9 55.7 -60.7 -43.1 45.1 71.1 10.0 6 85 A N H X S+ 0 0 99 -4,-2.2 4,-2.0 1,-0.2 -1,-0.2 0.776 106.8 50.9 -62.9 -30.2 42.1 73.4 9.1 7 86 A L H < S+ 0 0 15 -4,-1.1 4,-0.4 -3,-0.3 -2,-0.2 0.947 104.6 55.3 -69.1 -51.1 40.4 72.3 12.3 8 87 A H H < S+ 0 0 39 -4,-1.9 -2,-0.2 1,-0.2 -1,-0.2 0.716 112.3 46.7 -54.1 -24.8 43.5 73.1 14.4 9 88 A K H < S+ 0 0 84 -4,-1.1 -1,-0.2 1,-0.1 -2,-0.2 0.938 112.7 44.4 -80.6 -56.6 43.4 76.6 12.9 10 89 A Q S < S+ 0 0 62 -4,-2.0 2,-0.3 -5,-0.1 -2,-0.2 0.180 111.1 68.3 -79.0 19.3 39.7 77.4 13.4 11 90 A T S S- 0 0 16 -4,-0.4 74,-0.1 -3,-0.1 75,-0.1 -0.998 84.1-110.4-139.9 145.1 39.7 76.0 17.0 12 91 A T - 0 0 67 -2,-0.3 75,-0.1 73,-0.2 -2,-0.0 -0.353 23.1-148.1 -63.4 147.6 41.2 77.0 20.4 13 92 A K + 0 0 130 -4,-0.1 2,-0.2 -2,-0.0 -1,-0.1 0.925 69.8 85.4 -86.7 -50.9 44.0 74.6 21.6 14 93 A Q >> - 0 0 106 1,-0.1 4,-1.5 2,-0.1 3,-0.5 -0.349 66.3-149.3 -65.4 121.5 43.7 74.7 25.4 15 94 A F H 3> S+ 0 0 3 1,-0.3 4,-2.5 2,-0.2 3,-0.3 0.878 96.3 53.4 -57.9 -45.2 41.1 72.1 26.5 16 95 A S H 3> S+ 0 0 1 1,-0.2 4,-1.5 33,-0.2 -1,-0.3 0.837 108.8 51.1 -59.6 -34.0 40.0 74.1 29.6 17 96 A K H <> S+ 0 0 32 -3,-0.5 4,-2.2 2,-0.2 -1,-0.2 0.788 108.7 50.5 -74.6 -30.0 39.4 77.1 27.3 18 97 A V H X S+ 0 0 3 -4,-1.5 4,-2.4 -3,-0.3 -2,-0.2 0.890 109.5 51.1 -71.2 -41.6 37.2 75.0 25.0 19 98 A V H X S+ 0 0 4 -4,-2.5 4,-2.3 2,-0.2 -2,-0.2 0.849 109.8 50.8 -63.3 -34.5 35.2 73.7 28.0 20 99 A E H X S+ 0 0 58 -4,-1.5 4,-2.4 -5,-0.2 5,-0.2 0.982 109.7 49.6 -62.7 -57.4 34.7 77.4 29.1 21 100 A D H < S+ 0 0 75 -4,-2.2 4,-0.3 1,-0.2 -2,-0.2 0.881 116.4 42.3 -43.0 -52.1 33.5 78.4 25.6 22 101 A L H >< S+ 0 0 2 -4,-2.4 14,-1.3 1,-0.2 3,-1.0 0.914 114.7 48.1 -67.9 -47.4 31.0 75.5 25.5 23 102 A Y H 3< S+ 0 0 40 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.793 113.9 47.0 -65.5 -32.4 29.7 75.7 29.1 24 103 A R T 3< S+ 0 0 145 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.467 85.1 136.8 -88.4 -3.5 29.2 79.5 28.8 25 104 A Y < - 0 0 34 -3,-1.0 9,-1.3 -4,-0.3 2,-0.4 -0.079 33.3-167.8 -58.1 141.7 27.4 79.3 25.4 26 105 A V B -A 33 0A 69 7,-0.3 2,-1.1 8,-0.1 3,-0.1 -0.996 29.2-115.5-133.1 132.7 24.3 81.3 24.9 27 106 A N >> - 0 0 60 5,-2.8 4,-3.5 -2,-0.4 3,-1.9 -0.584 26.7-161.1 -71.2 101.9 21.8 81.0 22.0 28 107 A A T 34 S+ 0 0 81 -2,-1.1 -1,-0.2 1,-0.3 -3,-0.0 0.818 87.0 52.2 -52.8 -39.8 22.2 84.4 20.3 29 108 A A T 34 S+ 0 0 103 1,-0.2 -1,-0.3 -3,-0.1 -2,-0.1 0.548 125.4 25.5 -76.2 -7.2 18.9 84.2 18.4 30 109 A T T <4 S- 0 0 74 -3,-1.9 -2,-0.2 2,-0.2 -1,-0.2 0.609 90.9-130.5-131.1 -26.1 17.0 83.5 21.6 31 110 A G < + 0 0 54 -4,-3.5 -3,-0.1 1,-0.3 -2,-0.0 0.284 63.4 132.0 84.1 -10.3 19.0 84.9 24.6 32 111 A K - 0 0 142 -5,-0.4 -5,-2.8 1,-0.1 2,-0.5 -0.560 65.3-117.0 -76.2 133.0 18.7 81.6 26.5 33 112 A P B -A 26 0A 101 0, 0.0 -7,-0.3 0, 0.0 -8,-0.1 -0.603 31.6-172.6 -69.0 120.8 21.8 80.2 28.1 34 113 A A - 0 0 36 -9,-1.3 -9,-0.1 -2,-0.5 -8,-0.1 -0.624 7.3-166.7-116.5 70.4 22.4 76.9 26.2 35 114 A P - 0 0 57 0, 0.0 -12,-0.2 0, 0.0 -11,-0.1 -0.312 13.5-165.3 -67.1 138.1 25.3 75.2 28.1 36 115 A M S S+ 0 0 49 -14,-1.3 2,-0.3 -17,-0.1 -13,-0.2 0.364 71.8 58.4-106.5 2.7 26.8 72.2 26.4 37 116 A I S S- 0 0 4 -15,-0.2 94,-0.3 94,-0.2 2,-0.1 -0.946 85.2-116.7-125.2 150.0 28.7 70.9 29.5 38 117 A S > - 0 0 20 92,-1.7 4,-2.8 -2,-0.3 5,-0.2 -0.431 22.0-115.5 -82.0 160.3 27.2 69.8 32.8 39 118 A D H > S+ 0 0 110 1,-0.2 4,-2.7 2,-0.2 5,-0.3 0.958 117.5 53.8 -53.0 -54.8 27.9 71.5 36.2 40 119 A D H > S+ 0 0 67 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.898 114.2 38.1 -44.8 -56.3 29.5 68.3 37.3 41 120 A V H > S+ 0 0 3 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.859 114.0 54.9 -74.3 -36.5 31.9 68.0 34.4 42 121 A Y H X S+ 0 0 23 -4,-2.8 4,-2.1 2,-0.2 -2,-0.2 0.959 109.8 46.5 -58.3 -52.9 32.7 71.8 34.2 43 122 A N H X S+ 0 0 68 -4,-2.7 4,-1.3 1,-0.2 -1,-0.2 0.854 109.8 54.9 -58.8 -38.0 33.7 71.9 37.9 44 123 A I H < S+ 0 0 0 -4,-1.6 3,-0.3 -5,-0.3 -1,-0.2 0.931 109.1 47.7 -60.5 -45.5 35.9 68.8 37.5 45 124 A V H >< S+ 0 0 0 -4,-2.1 3,-1.4 1,-0.2 -2,-0.2 0.904 110.2 51.0 -63.8 -43.3 37.8 70.4 34.6 46 125 A M H 3< S+ 0 0 41 -4,-2.1 3,-0.3 1,-0.3 -1,-0.2 0.735 108.8 51.2 -70.5 -23.2 38.4 73.7 36.4 47 126 A E T 3< S+ 0 0 110 -4,-1.3 -1,-0.3 -3,-0.3 -2,-0.2 0.274 124.0 29.0 -95.8 10.8 39.8 71.9 39.5 48 127 A N S <> S+ 0 0 40 -3,-1.4 4,-2.5 -5,-0.1 -2,-0.2 0.100 77.2 131.0-152.0 21.4 42.3 69.8 37.4 49 128 A K H > S+ 0 0 75 -3,-0.3 4,-2.2 1,-0.2 -33,-0.2 0.777 74.1 48.0 -58.9 -34.8 43.0 72.1 34.4 50 129 A D H > S+ 0 0 139 2,-0.2 4,-1.4 1,-0.2 -1,-0.2 0.934 114.0 46.1 -70.2 -48.1 46.8 71.8 34.5 51 130 A K H > S+ 0 0 106 2,-0.1 4,-0.6 1,-0.1 -2,-0.2 0.921 119.5 42.3 -55.8 -46.4 46.8 68.0 34.8 52 131 A L H >X S+ 0 0 0 -4,-2.5 3,-1.1 -7,-0.2 4,-1.0 0.952 110.8 49.8 -70.4 -56.1 44.2 67.7 32.0 53 132 A N H 3< S+ 0 0 27 -4,-2.2 3,-0.2 1,-0.3 -1,-0.2 0.791 112.6 49.2 -55.5 -35.1 45.4 70.2 29.4 54 133 A S H 3< S+ 0 0 98 -4,-1.4 -1,-0.3 -5,-0.2 -2,-0.2 0.653 102.7 61.8 -81.0 -20.0 48.9 68.8 29.4 55 134 A A H << S+ 0 0 25 -3,-1.1 2,-0.3 -4,-0.6 -1,-0.2 0.742 80.9 99.0 -78.0 -25.7 47.7 65.2 29.1 56 135 A I < - 0 0 11 -4,-1.0 2,-0.7 -3,-0.2 34,-0.0 -0.491 60.2-158.6 -67.8 125.5 46.2 65.8 25.7 57 136 A V > - 0 0 43 -2,-0.3 3,-1.1 1,-0.1 4,-0.1 -0.916 4.7-167.6-108.1 106.5 48.4 64.7 22.8 58 137 A Y G > S+ 0 0 36 -2,-0.7 3,-1.1 1,-0.2 4,-0.1 0.567 77.0 76.7 -75.7 -10.6 47.4 66.6 19.6 59 138 A D G > S+ 0 0 126 1,-0.2 3,-2.4 2,-0.1 -1,-0.2 0.894 82.8 71.3 -56.3 -39.4 49.5 64.3 17.3 60 139 A R G X S+ 0 0 47 -3,-1.1 3,-1.4 1,-0.3 -1,-0.2 0.533 74.8 78.2 -66.7 -8.7 46.8 61.7 17.7 61 140 A D G X S+ 0 0 0 -3,-1.1 3,-0.5 1,-0.2 -1,-0.3 0.629 88.6 61.2 -68.4 -13.3 44.3 63.7 15.6 62 141 A F G < S+ 0 0 105 -3,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.212 78.3 87.5 -97.1 11.4 46.2 62.4 12.6 63 142 A Q G < S+ 0 0 83 -3,-1.4 2,-0.2 52,-0.1 -1,-0.2 0.612 80.5 78.2 -77.2 -16.3 45.3 58.8 13.7 64 143 A Y S < S- 0 0 21 -3,-0.5 2,-0.1 -4,-0.1 472,-0.1 -0.602 74.0-134.9 -98.1 155.8 42.1 59.2 11.6 65 144 A S > - 0 0 45 470,-0.3 4,-3.3 -2,-0.2 5,-0.3 -0.434 36.5 -92.6 -97.0 177.0 41.6 59.0 7.8 66 145 A Y H > S+ 0 0 153 1,-0.2 4,-2.0 2,-0.2 5,-0.2 0.916 127.4 42.0 -59.2 -50.6 39.6 61.4 5.6 67 146 A F H > S+ 0 0 113 2,-0.2 4,-0.7 1,-0.2 -1,-0.2 0.865 117.6 51.2 -64.6 -35.0 36.3 59.5 5.8 68 147 A G H >> S+ 0 0 0 2,-0.2 4,-1.1 1,-0.2 3,-0.7 0.961 112.4 42.3 -62.7 -56.1 37.0 58.9 9.5 69 148 A F H 3X S+ 0 0 5 -4,-3.3 4,-1.9 1,-0.2 3,-0.3 0.867 109.7 56.8 -61.5 -41.9 37.6 62.6 10.4 70 149 A K H 3X S+ 0 0 64 -4,-2.0 4,-1.9 -5,-0.3 -1,-0.2 0.687 101.3 58.6 -69.2 -19.5 34.7 64.0 8.3 71 150 A T H S+ 0 0 24 -4,-0.7 4,-1.5 -3,-0.7 5,-0.6 0.895 106.1 49.4 -69.0 -42.7 32.3 61.8 10.2 72 151 A L H X>S+ 0 0 5 -4,-1.1 5,-2.7 -3,-0.3 4,-1.6 0.914 114.7 42.4 -64.1 -47.0 33.4 63.5 13.4 73 152 A E H <5S+ 0 0 51 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.943 111.5 55.6 -64.5 -48.1 33.0 67.0 12.1 74 153 A R H <5S- 0 0 129 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.2 0.776 136.6 -14.0 -59.7 -30.9 29.7 66.3 10.3 75 154 A S H <5S+ 0 0 33 -4,-1.5 -3,-0.2 -3,-0.1 -2,-0.2 0.543 124.2 57.9-148.8 -13.6 27.9 65.0 13.5 76 155 A Y T < S-B 83 0B 35 3,-2.6 3,-1.0 -2,-0.4 -58,-0.0 -0.961 88.4 -19.7-116.6 108.7 29.2 76.9 18.6 81 160 A N T 3 S- 0 0 109 -2,-0.5 2,-1.0 1,-0.2 -1,-0.2 0.977 124.3 -54.5 52.9 64.1 27.0 78.7 16.0 82 161 A G T 3 S+ 0 0 64 1,-0.2 -1,-0.2 -3,-0.1 2,-0.2 0.153 119.4 110.0 64.3 -24.2 27.3 76.0 13.2 83 162 A Q E < S-B 80 0B 129 -2,-1.0 -3,-2.6 -3,-1.0 2,-0.3 -0.549 78.1-108.1 -83.3 147.8 31.0 76.3 13.5 84 163 A V E +B 79 0B 21 -5,-0.2 -5,-0.2 -2,-0.2 -6,-0.1 -0.608 38.3 169.3 -80.5 130.7 33.1 73.4 15.0 85 164 A A + 0 0 15 -7,-2.2 2,-0.3 -2,-0.3 -73,-0.2 0.642 53.5 76.3-112.0 -27.1 34.5 74.1 18.5 86 165 A E - 0 0 3 -8,-1.3 -9,-0.1 -75,-0.1 -71,-0.0 -0.669 62.7-149.1 -90.4 142.5 35.8 70.7 19.6 87 166 A R >> - 0 0 11 -2,-0.3 4,-2.1 -74,-0.1 3,-0.6 -0.713 36.5-105.7 -93.5 159.2 38.9 68.9 18.4 88 167 A P H 3> S+ 0 0 2 0, 0.0 4,-1.9 0, 0.0 5,-0.1 0.861 124.1 52.0 -52.3 -37.7 38.9 65.1 18.3 89 168 A Q H 3> S+ 0 0 0 1,-0.2 4,-2.3 2,-0.2 5,-0.1 0.814 107.4 52.6 -69.2 -31.7 41.1 65.0 21.4 90 169 A H H <> S+ 0 0 0 -3,-0.6 4,-2.5 2,-0.2 -1,-0.2 0.882 108.1 50.3 -68.7 -41.1 38.6 67.4 23.2 91 170 A L H X S+ 0 0 5 -4,-2.1 4,-2.1 2,-0.2 -2,-0.2 0.917 113.3 46.3 -59.9 -44.9 35.7 65.1 22.4 92 171 A I H X S+ 0 0 8 -4,-1.9 4,-2.8 2,-0.2 -2,-0.2 0.929 112.4 49.2 -66.3 -45.1 37.6 62.1 23.8 93 172 A M H X S+ 0 0 0 -4,-2.3 4,-2.0 1,-0.2 5,-0.2 0.881 110.8 51.2 -61.9 -41.2 38.7 64.0 26.9 94 173 A R H X S+ 0 0 4 -4,-2.5 4,-2.6 2,-0.2 -1,-0.2 0.897 110.8 48.8 -59.3 -42.0 35.1 65.1 27.5 95 174 A V H X S+ 0 0 0 -4,-2.1 4,-1.7 2,-0.2 -2,-0.2 0.936 108.7 53.8 -65.7 -45.3 33.9 61.5 27.1 96 175 A A H X S+ 0 0 0 -4,-2.8 4,-2.1 1,-0.2 -2,-0.2 0.881 115.0 38.9 -54.4 -48.0 36.6 60.3 29.6 97 176 A L H X S+ 0 0 0 -4,-2.0 4,-2.9 2,-0.2 -1,-0.2 0.895 111.4 59.2 -69.7 -43.7 35.6 62.7 32.3 98 177 A G H < S+ 0 0 2 -4,-2.6 32,-0.3 -5,-0.2 -2,-0.2 0.783 114.2 37.7 -56.1 -30.8 31.9 62.2 31.5 99 178 A I H < S+ 0 0 0 -4,-1.7 -1,-0.2 -5,-0.1 -2,-0.2 0.901 126.0 34.3 -83.4 -45.6 32.3 58.5 32.2 100 179 A H H >< S- 0 0 9 -4,-2.1 3,-2.2 1,-0.2 -2,-0.2 0.546 77.2-173.2 -98.0 -8.5 34.7 58.7 35.2 101 180 A G T 3< S- 0 0 4 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.1 -0.317 76.0 -0.3 54.0-118.0 33.6 61.8 37.0 102 181 A R T 3 S+ 0 0 136 1,-0.1 2,-2.2 -2,-0.1 -1,-0.3 0.582 105.2 99.0 -80.8 -13.0 36.2 62.4 39.8 103 182 A D <> + 0 0 72 -3,-2.2 4,-2.8 1,-0.2 3,-0.3 -0.477 45.3 170.2 -75.2 76.5 38.4 59.3 39.1 104 183 A I H > S+ 0 0 17 -2,-2.2 4,-2.3 1,-0.2 -1,-0.2 0.812 73.0 60.7 -61.8 -30.7 41.0 61.4 37.2 105 184 A E H > S+ 0 0 141 -3,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.948 110.2 39.8 -58.1 -51.1 43.3 58.3 37.2 106 185 A A H > S+ 0 0 10 -3,-0.3 4,-3.1 1,-0.2 5,-0.2 0.922 111.9 57.9 -63.1 -45.9 40.7 56.3 35.3 107 186 A A H X S+ 0 0 0 -4,-2.8 4,-2.7 1,-0.2 -2,-0.2 0.886 108.1 46.1 -51.6 -44.5 39.8 59.3 33.1 108 187 A L H X S+ 0 0 30 -4,-2.3 4,-2.7 2,-0.2 -1,-0.2 0.867 112.4 50.8 -68.1 -37.6 43.4 59.5 31.9 109 188 A E H X S+ 0 0 77 -4,-1.6 4,-2.0 2,-0.2 -2,-0.2 0.904 112.5 45.4 -67.7 -44.1 43.6 55.8 31.3 110 189 A T H X S+ 0 0 0 -4,-3.1 4,-3.0 2,-0.2 5,-0.3 0.972 113.4 52.0 -61.7 -52.3 40.4 55.8 29.2 111 190 A Y H X S+ 0 0 0 -4,-2.7 4,-3.4 -5,-0.2 5,-0.3 0.933 110.5 45.9 -47.0 -61.1 41.6 58.9 27.3 112 191 A N H X S+ 0 0 60 -4,-2.7 4,-2.1 1,-0.2 -1,-0.2 0.940 115.8 45.9 -50.1 -54.9 45.0 57.4 26.4 113 192 A L H <>S+ 0 0 18 -4,-2.0 5,-2.7 1,-0.2 6,-0.5 0.862 116.5 45.1 -58.2 -40.6 43.5 54.1 25.3 114 193 A M H ><5S+ 0 0 6 -4,-3.0 3,-1.6 3,-0.2 -1,-0.2 0.924 112.4 49.8 -70.1 -45.4 40.7 55.8 23.3 115 194 A S H 3<5S+ 0 0 0 -4,-3.4 -2,-0.2 1,-0.3 -1,-0.2 0.786 110.1 52.3 -64.7 -30.5 43.0 58.4 21.6 116 195 A L T 3<5S- 0 0 60 -4,-2.1 -1,-0.3 -5,-0.3 -2,-0.2 0.398 117.3-118.1 -81.9 -3.1 45.3 55.5 20.6 117 196 A K T < 5S+ 0 0 25 -3,-1.6 256,-0.2 2,-0.2 -3,-0.2 0.796 71.9 134.8 69.7 33.9 42.3 53.7 19.1 118 197 A Y S > - 0 0 9 244,-2.2 4,-1.5 -2,-0.2 3,-0.9 -0.220 47.0 -97.9 -62.0 156.3 28.8 53.8 21.0 123 202 A S H 3> S+ 0 0 22 1,-0.3 4,-2.8 2,-0.2 5,-0.2 0.809 119.6 58.8 -48.8 -45.0 27.6 57.0 19.3 124 203 A P H 3> S+ 0 0 10 0, 0.0 4,-2.4 0, 0.0 5,-0.3 0.919 107.7 47.9 -52.9 -45.6 25.1 58.0 22.1 125 204 A T H <> S+ 0 0 0 -3,-0.9 4,-2.7 11,-0.6 -2,-0.2 0.913 111.6 50.0 -59.2 -45.5 28.0 58.1 24.6 126 205 A L H < S+ 0 0 4 -4,-1.5 -1,-0.2 1,-0.2 -3,-0.1 0.891 115.4 44.1 -59.9 -43.6 30.1 60.2 22.2 127 206 A F H < S+ 0 0 32 -4,-2.8 -2,-0.2 1,-0.1 -1,-0.2 0.916 129.2 20.8 -60.2 -48.9 27.3 62.6 21.6 128 207 A N H >< S+ 0 0 34 -4,-2.4 3,-2.1 -5,-0.2 -3,-0.2 0.564 81.9 113.6-114.4 -18.8 26.2 63.0 25.2 129 208 A A T 3< S+ 0 0 0 -4,-2.7 -31,-0.2 -5,-0.3 -30,-0.1 -0.453 91.9 18.4 -61.4 128.3 28.8 62.0 27.8 130 209 A G T 3 S+ 0 0 3 1,-0.3 -92,-1.7 -32,-0.3 -1,-0.3 0.347 105.2 110.0 93.0 -4.2 29.9 65.2 29.7 131 210 A T S < S- 0 0 16 -3,-2.1 -1,-0.3 -94,-0.3 -94,-0.2 -0.567 81.5-103.9-105.1 165.5 26.8 67.1 28.6 132 211 A P S S+ 0 0 71 0, 0.0 -96,-0.1 0, 0.0 -92,-0.1 0.865 117.1 36.3 -61.0 -43.4 23.7 68.2 30.8 133 212 A K S S- 0 0 56 2,-0.1 2,-1.7 277,-0.0 276,-0.0 -0.706 83.1-171.8-105.5 79.3 21.2 65.6 29.6 134 213 A P + 0 0 25 0, 0.0 276,-3.1 0, 0.0 2,-0.9 -0.535 13.3 169.0 -84.0 89.1 23.7 62.7 29.2 135 214 A Q + 0 0 2 -2,-1.7 31,-0.2 274,-0.2 -7,-0.2 -0.870 3.5 166.4 -97.2 103.7 21.6 59.9 27.6 136 215 A M + 0 0 1 -2,-0.9 -11,-0.6 274,-0.2 230,-0.4 0.394 34.0 108.5-104.3 2.5 24.4 57.5 26.7 137 216 A S - 0 0 0 273,-0.3 228,-0.2 -13,-0.2 3,-0.1 -0.567 41.3-173.1 -92.6 145.9 22.3 54.4 25.8 138 217 A S + 0 0 17 226,-1.7 30,-1.7 -2,-0.2 2,-0.5 0.733 65.2 61.6 -99.8 -31.8 21.7 52.8 22.4 139 218 A C E +fG 168 364D 4 225,-1.5 225,-1.4 28,-0.2 2,-0.4 -0.879 47.1 176.2-119.9 130.4 19.2 50.1 23.1 140 219 A F E -fG 169 363D 0 28,-1.3 30,-3.6 -2,-0.5 2,-0.6 -0.994 10.0-165.5-126.9 126.5 15.7 50.1 24.5 141 220 A L E -fG 170 362D 0 221,-2.6 221,-1.3 -2,-0.4 2,-0.5 -0.949 20.2-166.8-112.5 110.3 13.6 47.0 24.7 142 221 A V E -f 171 0D 0 28,-3.6 30,-1.7 -2,-0.6 2,-0.3 -0.855 14.0-143.7-112.9 128.6 10.0 48.0 25.3 143 222 A A E -f 172 0D 2 214,-0.5 2,-0.8 -2,-0.5 30,-0.1 -0.674 26.9-117.4 -82.2 135.8 7.0 46.0 26.4 144 223 A M - 0 0 5 28,-1.1 8,-0.1 -2,-0.3 3,-0.1 -0.684 31.1-140.4 -66.3 108.5 3.5 46.7 24.9 145 224 A K - 0 0 46 -2,-0.8 2,-0.3 6,-0.4 -1,-0.2 0.800 61.8 -33.4 -53.7 -43.7 1.9 47.7 28.2 146 225 A E - 0 0 98 2,-0.2 2,-2.5 212,-0.1 6,-0.2 -0.956 60.9 -90.2-170.9 163.1 -1.5 46.0 27.6 147 226 A D S S+ 0 0 37 -2,-0.3 2,-0.3 4,-0.1 3,-0.1 -0.426 91.8 91.5 -74.5 67.7 -4.1 45.0 25.0 148 227 A S S > S- 0 0 32 -2,-2.5 4,-3.4 1,-0.1 -2,-0.2 -0.982 87.1-110.5-155.3 157.7 -6.0 48.3 25.3 149 228 A I H > S+ 0 0 124 -2,-0.3 4,-2.1 2,-0.2 5,-0.2 0.887 123.6 47.7 -58.3 -40.7 -6.3 51.8 23.9 150 229 A E H > S+ 0 0 136 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.938 113.8 47.3 -63.2 -48.8 -4.9 53.1 27.2 151 230 A G H > S+ 0 0 1 2,-0.2 4,-2.6 1,-0.2 -6,-0.4 0.944 113.0 47.9 -53.9 -53.1 -2.1 50.5 27.1 152 231 A I H X S+ 0 0 17 -4,-3.4 4,-1.7 1,-0.2 -1,-0.2 0.886 114.3 46.0 -58.6 -43.1 -1.3 51.2 23.4 153 232 A Y H X S+ 0 0 112 -4,-2.1 4,-1.7 2,-0.2 -1,-0.2 0.809 111.0 50.7 -78.6 -29.3 -1.2 55.0 24.0 154 233 A D H X S+ 0 0 66 -4,-2.4 4,-2.3 2,-0.2 3,-0.2 0.955 112.2 49.0 -61.9 -51.7 0.9 54.8 27.2 155 234 A T H X S+ 0 0 0 -4,-2.6 4,-1.8 -5,-0.2 -2,-0.2 0.857 110.2 51.8 -51.1 -39.3 3.3 52.6 25.2 156 235 A L H X S+ 0 0 18 -4,-1.7 4,-1.7 2,-0.2 -1,-0.2 0.829 107.4 51.5 -71.4 -36.6 3.3 55.2 22.4 157 236 A K H X S+ 0 0 136 -4,-1.7 4,-2.6 -3,-0.2 -2,-0.2 0.885 108.6 52.5 -62.3 -43.0 4.1 58.0 24.8 158 237 A E H X S+ 0 0 4 -4,-2.3 4,-2.0 2,-0.2 -2,-0.2 0.903 108.3 49.5 -62.3 -43.1 7.1 56.0 26.0 159 238 A C H X S+ 0 0 0 -4,-1.8 4,-2.6 2,-0.2 -1,-0.2 0.876 111.4 49.3 -66.0 -38.0 8.5 55.4 22.5 160 239 A A H X S+ 0 0 23 -4,-1.7 4,-1.5 2,-0.2 -2,-0.2 0.950 111.2 48.5 -65.3 -48.2 8.2 59.1 21.7 161 240 A L H < S+ 0 0 68 -4,-2.6 4,-0.2 1,-0.2 -2,-0.2 0.848 115.4 45.7 -59.5 -36.1 10.0 60.1 24.9 162 241 A I H >< S+ 0 0 0 -4,-2.0 3,-1.6 1,-0.2 -1,-0.2 0.901 110.9 51.8 -71.2 -43.3 12.7 57.5 24.2 163 242 A S H 3< S+ 0 0 2 -4,-2.6 47,-0.7 1,-0.3 -2,-0.2 0.710 92.0 77.0 -66.0 -21.6 13.0 58.6 20.5 164 243 A K T 3< S+ 0 0 132 -4,-1.5 46,-0.3 45,-0.2 -1,-0.3 0.757 105.0 35.2 -58.4 -24.9 13.4 62.2 21.8 165 244 A T S < S- 0 0 23 -3,-1.6 45,-0.1 1,-0.3 46,-0.1 -0.522 108.3 -60.7-118.1-174.7 17.0 61.1 22.6 166 245 A A S S+ 0 0 8 -31,-0.2 -1,-0.3 -2,-0.2 -29,-0.1 -0.060 86.1 59.4 -60.0 166.5 19.7 58.8 21.2 167 246 A G - 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0 0 98 -6,-0.1 -3,-0.2 1,-0.1 2,-0.2 -0.546 60.7-134.5 -66.6 117.6 56.0 36.8 11.7 384 463 A S - 0 0 46 -2,-0.5 -7,-0.3 55,-0.1 2,-0.2 -0.504 22.0-168.8 -77.7 141.5 53.2 38.7 13.4 385 464 A T E -P 376 0I 53 -9,-3.4 -9,-2.3 -2,-0.2 2,-0.6 -0.745 23.6-114.2-117.6 172.8 51.3 37.4 16.5 386 465 A Y E -P 375 0I 18 -2,-0.2 2,-1.3 -11,-0.2 -11,-0.2 -0.948 22.0-135.6-111.9 117.9 48.2 38.6 18.3 387 466 A N > + 0 0 34 -13,-3.1 4,-1.0 -2,-0.6 3,-0.2 -0.574 27.2 174.1 -75.1 94.4 48.7 39.9 21.9 388 467 A F H > S+ 0 0 38 -2,-1.3 4,-1.9 1,-0.2 -1,-0.2 0.698 74.7 62.5 -70.4 -21.3 45.8 38.2 23.8 389 468 A K H > S+ 0 0 162 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.847 103.6 45.5 -77.9 -36.3 47.1 39.7 27.1 390 469 A K H > S+ 0 0 57 -3,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.763 111.7 55.0 -72.2 -28.9 46.6 43.3 26.1 391 470 A L H X S+ 0 0 0 -4,-1.0 4,-2.5 2,-0.2 -2,-0.2 0.917 109.3 45.4 -69.4 -45.7 43.2 42.3 24.8 392 471 A H H X S+ 0 0 15 -4,-1.9 4,-1.0 2,-0.2 -2,-0.2 0.931 113.8 50.8 -58.7 -49.1 42.2 40.9 28.1 393 472 A E H X S+ 0 0 95 -4,-2.0 4,-0.6 1,-0.2 3,-0.4 0.897 113.4 44.5 -57.3 -45.0 43.7 43.9 29.8 394 473 A I H >X S+ 0 0 0 -4,-2.3 4,-2.1 1,-0.2 3,-0.8 0.869 106.7 57.6 -71.7 -39.2 41.7 46.3 27.6 395 474 A A H 3X S+ 0 0 0 -4,-2.5 4,-1.5 1,-0.3 -1,-0.2 0.699 102.5 57.2 -66.0 -19.1 38.4 44.5 27.8 396 475 A K H 3X S+ 0 0 28 -4,-1.0 4,-1.5 -3,-0.4 -1,-0.3 0.737 106.1 50.3 -77.8 -25.4 38.6 44.9 31.6 397 476 A V H X S+ 0 0 0 -4,-2.8 4,-1.8 1,-0.2 3,-1.1 0.968 110.4 45.5 -55.8 -57.1 33.7 52.0 31.8 402 481 A L H 3X S+ 0 0 0 -4,-3.0 4,-1.1 1,-0.3 -1,-0.2 0.751 108.3 59.3 -65.5 -24.2 30.3 50.7 30.7 403 482 A N H 3< S+ 0 0 7 -4,-1.5 4,-0.5 -5,-0.3 -1,-0.3 0.798 105.4 48.0 -73.8 -28.5 29.6 49.9 34.4 404 483 A R H XX S+ 0 0 70 -4,-1.2 4,-1.5 -3,-1.1 3,-1.2 0.888 102.4 62.7 -75.5 -42.6 30.1 53.6 35.3 405 484 A V H 3X S+ 0 0 0 -4,-1.8 4,-0.8 1,-0.2 -2,-0.2 0.844 94.5 63.3 -47.3 -41.4 27.8 54.8 32.4 406 485 A I H 3< S+ 0 0 0 -4,-1.1 -1,-0.2 1,-0.2 3,-0.2 0.869 109.8 38.6 -54.2 -39.2 24.9 52.9 34.1 407 486 A D H <4 S+ 0 0 81 -3,-1.2 -1,-0.2 -4,-0.5 -2,-0.2 0.731 118.3 46.2 -86.1 -26.2 25.2 55.2 37.1 408 487 A R H < S+ 0 0 72 -4,-1.5 2,-0.2 -309,-0.1 -2,-0.2 0.330 90.9 117.4 -99.4 8.5 25.9 58.5 35.4 409 488 A N < - 0 0 17 -4,-0.8 2,-0.5 -3,-0.2 -274,-0.2 -0.496 61.3-135.3 -84.2 140.9 23.2 58.0 32.7 410 489 A Y - 0 0 113 -276,-3.1 -273,-0.3 -2,-0.2 -274,-0.2 -0.836 23.7-149.9 -87.0 125.5 20.1 60.2 32.1 411 490 A Y - 0 0 28 -2,-0.5 6,-0.1 1,-0.1 -276,-0.1 -0.893 8.8-152.2-104.3 124.2 17.1 57.9 31.6 412 491 A P S S+ 0 0 19 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.772 82.1 25.0 -63.2 -30.4 14.3 59.1 29.3 413 492 A V S >> S- 0 0 12 -52,-0.1 4,-1.3 1,-0.1 3,-0.9 -0.965 76.0-122.5-137.6 150.5 11.6 57.1 31.2 414 493 A E H 3> S+ 0 0 108 -2,-0.3 4,-2.3 1,-0.2 5,-0.2 0.827 109.0 63.9 -61.9 -33.8 11.2 55.7 34.7 415 494 A E H 3> S+ 0 0 35 1,-0.2 -54,-1.7 2,-0.2 4,-1.5 0.787 102.8 50.3 -59.1 -31.0 10.8 52.1 33.3 416 495 A A H <> S+ 0 0 0 -3,-0.9 4,-2.8 -56,-0.2 5,-0.2 0.916 109.3 48.4 -74.4 -45.7 14.4 52.2 32.0 417 496 A R H X S+ 0 0 98 -4,-1.3 4,-2.2 2,-0.2 5,-0.2 0.919 112.0 49.7 -62.2 -44.1 16.0 53.4 35.2 418 497 A K H X S+ 0 0 65 -4,-2.3 4,-1.0 1,-0.2 -1,-0.2 0.952 114.1 46.7 -56.9 -50.5 14.2 50.7 37.2 419 498 A S H X S+ 0 0 1 -4,-1.5 4,-2.0 -58,-0.2 5,-0.5 0.925 115.2 42.7 -58.7 -52.3 15.3 48.1 34.7 420 499 A N H X S+ 0 0 0 -4,-2.8 4,-1.6 -59,-0.3 -1,-0.2 0.863 110.8 52.7 -70.0 -38.0 19.0 49.1 34.5 421 500 A M H < S+ 0 0 62 -4,-2.2 58,-0.4 -5,-0.2 -1,-0.2 0.725 114.5 46.8 -68.7 -20.6 19.7 49.7 38.2 422 501 A R H < S+ 0 0 71 -4,-1.0 58,-0.9 -3,-0.4 57,-0.5 0.927 130.1 13.3 -84.0 -52.7 18.3 46.2 38.9 423 502 A H H < S- 0 0 2 -4,-2.0 98,-2.4 56,-0.1 99,-0.2 0.683 79.9-155.2-101.4 -22.4 20.0 44.0 36.4 424 503 A R < - 0 0 4 -4,-1.6 98,-0.3 -5,-0.5 2,-0.1 0.907 18.4-169.1 38.9 63.1 22.8 46.3 35.1 425 504 A P - 0 0 0 0, 0.0 -60,-0.5 0, 0.0 2,-0.3 -0.486 2.3-166.0 -77.0 155.7 23.3 44.6 31.7 426 505 A I - 0 0 0 96,-1.6 2,-0.3 -2,-0.1 -60,-0.1 -0.926 9.9-148.5-141.8 152.6 26.3 45.7 29.6 427 506 A A E +d 366 0C 0 -62,-1.4 -60,-1.6 -2,-0.3 97,-0.3 -0.761 13.4 179.1-140.0 95.1 27.3 45.2 26.0 428 507 A L E +de 367 524C 1 95,-2.7 97,-2.5 -2,-0.3 2,-0.2 -0.575 14.4 165.4 -85.4 154.5 30.8 44.8 24.7 429 508 A G E -d 368 0C 2 -62,-1.2 -60,-2.4 -2,-0.2 2,-0.3 -0.812 22.9-120.1-153.2-169.7 31.5 44.3 21.0 430 509 A V E -d 369 0C 2 -62,-0.3 2,-0.3 97,-0.3 -60,-0.2 -0.950 12.4-170.7-141.5 154.1 34.2 44.3 18.4 431 510 A Q E +d 370 0C 0 -62,-2.3 -60,-2.5 -2,-0.3 109,-0.2 -0.966 66.4 41.8-138.3 161.1 35.2 45.9 15.1 432 511 A G > + 0 0 0 107,-1.7 4,-2.6 -2,-0.3 5,-0.1 0.637 59.4 139.4 83.7 17.2 38.0 45.2 12.6 433 512 A L H > S+ 0 0 0 108,-1.5 4,-2.0 106,-0.2 5,-0.2 0.904 76.6 47.2 -55.4 -43.8 37.7 41.4 12.6 434 513 A A H > S+ 0 0 4 109,-0.5 4,-2.1 107,-0.2 -1,-0.2 0.907 111.7 50.6 -66.8 -41.9 38.3 41.3 8.8 435 514 A D H > S+ 0 0 10 2,-0.2 4,-3.2 1,-0.2 5,-0.2 0.895 108.0 53.7 -59.4 -45.7 41.2 43.7 9.1 436 515 A T H X S+ 0 0 0 -4,-2.6 4,-2.1 1,-0.2 -2,-0.2 0.944 110.3 45.8 -54.2 -53.7 42.8 41.5 11.8 437 516 A F H <>S+ 0 0 2 -4,-2.0 5,-3.7 1,-0.2 -1,-0.2 0.884 115.1 49.0 -56.6 -41.3 42.6 38.4 9.6 438 517 A M H ><5S+ 0 0 12 -4,-2.1 3,-1.3 3,-0.2 -2,-0.2 0.926 110.2 48.5 -67.9 -46.6 44.0 40.4 6.6 439 518 A L H 3<5S+ 0 0 73 -4,-3.2 -1,-0.2 1,-0.3 -2,-0.2 0.835 114.3 46.5 -62.3 -36.1 46.9 41.8 8.6 440 519 A L T 3<5S- 0 0 29 -4,-2.1 -1,-0.3 -5,-0.2 -2,-0.2 0.298 117.0-118.7 -88.7 7.8 47.8 38.4 9.9 441 520 A R T < 5 + 0 0 102 -3,-1.3 -3,-0.2 1,-0.2 -2,-0.1 0.888 63.4 145.3 58.0 46.8 47.4 37.0 6.3 442 521 A L < - 0 0 32 -5,-3.7 -1,-0.2 -6,-0.1 -2,-0.1 -0.963 49.6-129.6-117.9 114.4 44.5 34.6 7.2 443 522 A P > - 0 0 22 0, 0.0 3,-2.1 0, 0.0 6,-0.4 -0.424 27.7-118.9 -51.8 134.5 41.7 33.9 4.7 444 523 A F T 3 S+ 0 0 16 153,-0.3 153,-0.1 152,-0.3 154,-0.0 0.759 112.7 49.6 -49.0 -32.5 38.3 34.4 6.5 445 524 A D T 3 S+ 0 0 53 151,-0.2 -1,-0.3 4,-0.1 2,-0.2 -0.014 87.6 117.7-102.9 29.3 37.5 30.7 5.9 446 525 A S S <> S- 0 0 19 -3,-2.1 4,-2.1 1,-0.1 5,-0.1 -0.561 74.7-121.8 -91.7 160.1 40.7 29.2 7.1 447 526 A E H > S+ 0 0 109 2,-0.2 4,-1.3 -2,-0.2 -1,-0.1 0.751 117.6 53.6 -65.3 -25.3 41.2 26.8 10.0 448 527 A E H > S+ 0 0 117 2,-0.2 4,-1.7 1,-0.1 -1,-0.2 0.902 108.5 46.3 -75.4 -43.0 43.6 29.5 11.4 449 528 A A H > S+ 0 0 0 -6,-0.4 4,-2.5 1,-0.2 -2,-0.2 0.874 110.1 55.7 -65.5 -37.5 41.0 32.2 11.2 450 529 A R H X S+ 0 0 98 -4,-2.1 4,-1.4 1,-0.2 -1,-0.2 0.887 109.8 45.4 -58.8 -42.2 38.5 29.8 12.7 451 530 A L H X S+ 0 0 52 -4,-1.3 4,-1.8 2,-0.2 -1,-0.2 0.806 111.1 52.5 -74.0 -30.5 40.8 29.3 15.7 452 531 A L H X S+ 0 0 11 -4,-1.7 4,-3.0 2,-0.2 5,-0.2 0.927 104.8 56.0 -71.8 -43.5 41.5 33.0 16.0 453 532 A N H X S+ 0 0 0 -4,-2.5 4,-1.9 1,-0.2 5,-0.2 0.922 110.6 44.6 -48.0 -53.2 37.8 33.8 16.2 454 533 A I H X S+ 0 0 17 -4,-1.4 4,-2.5 1,-0.2 -1,-0.2 0.902 113.8 49.3 -62.0 -44.0 37.3 31.5 19.1 455 534 A Q H X S+ 0 0 32 -4,-1.8 4,-2.0 1,-0.2 -2,-0.2 0.931 109.0 51.5 -66.4 -46.0 40.4 32.7 21.0 456 535 A I H X S+ 0 0 0 -4,-3.0 4,-1.7 1,-0.2 -1,-0.2 0.927 114.9 42.5 -54.8 -48.7 39.5 36.4 20.6 457 536 A F H X S+ 0 0 0 -4,-1.9 4,-2.2 1,-0.2 5,-0.2 0.826 108.9 57.9 -74.8 -31.1 36.0 35.9 22.0 458 537 A E H X S+ 0 0 0 -4,-2.5 4,-1.7 1,-0.2 -1,-0.2 0.886 109.6 46.2 -62.0 -37.8 37.1 33.5 24.7 459 538 A T H X S+ 0 0 0 -4,-2.0 4,-2.4 2,-0.2 -2,-0.2 0.870 110.9 50.3 -78.0 -32.2 39.4 36.3 26.0 460 539 A I H X S+ 0 0 1 -4,-1.7 4,-2.5 2,-0.2 -2,-0.2 0.936 113.3 45.5 -69.0 -44.7 36.8 39.1 25.8 461 540 A Y H X S+ 0 0 3 -4,-2.2 4,-2.4 2,-0.2 -2,-0.2 0.901 115.0 48.1 -62.5 -43.5 34.1 37.1 27.7 462 541 A H H X S+ 0 0 5 -4,-1.7 4,-2.1 -5,-0.2 -2,-0.2 0.944 112.1 48.8 -62.9 -50.7 36.7 36.0 30.4 463 542 A A H X S+ 0 0 0 -4,-2.4 4,-2.9 2,-0.2 5,-0.2 0.941 112.8 47.3 -52.8 -52.7 38.0 39.5 30.8 464 543 A S H X S+ 0 0 0 -4,-2.5 4,-2.6 1,-0.2 5,-0.2 0.911 111.7 49.3 -61.5 -45.5 34.5 41.0 31.2 465 544 A M H X S+ 0 0 7 -4,-2.4 4,-1.2 1,-0.2 -1,-0.2 0.842 113.4 49.7 -58.7 -35.2 33.4 38.3 33.7 466 545 A E H X S+ 0 0 52 -4,-2.1 4,-2.4 2,-0.2 -2,-0.2 0.942 112.3 44.2 -70.7 -49.7 36.6 39.0 35.6 467 546 A A H X S+ 0 0 0 -4,-2.9 4,-2.3 1,-0.2 -2,-0.2 0.909 113.9 51.5 -60.7 -41.9 36.2 42.8 35.8 468 547 A S H X S+ 0 0 0 -4,-2.6 4,-1.6 -5,-0.2 51,-1.1 0.803 109.4 51.1 -66.3 -31.1 32.5 42.4 36.6 469 548 A C H X S+ 0 0 4 -4,-1.2 4,-1.8 2,-0.2 -1,-0.2 0.911 108.5 49.6 -71.5 -45.4 33.5 40.0 39.4 470 549 A E H X S+ 0 0 62 -4,-2.4 4,-1.0 1,-0.2 -2,-0.2 0.876 111.0 51.9 -59.0 -39.4 36.1 42.5 40.8 471 550 A L H X S+ 0 0 17 -4,-2.3 4,-2.9 2,-0.2 5,-0.3 0.861 105.2 54.4 -63.5 -39.0 33.3 45.1 40.7 472 551 A A H X S+ 0 0 3 -4,-1.6 4,-2.5 1,-0.2 -2,-0.2 0.867 104.0 55.8 -62.9 -39.2 30.9 42.9 42.6 473 552 A Q H < S+ 0 0 102 -4,-1.8 -1,-0.2 2,-0.2 -2,-0.2 0.814 114.2 40.7 -61.9 -32.1 33.5 42.6 45.3 474 553 A K H < S+ 0 0 167 -4,-1.0 -2,-0.2 -3,-0.2 -1,-0.2 0.930 134.8 13.6 -80.5 -49.6 33.6 46.4 45.6 475 554 A D H < S- 0 0 102 -4,-2.9 -3,-0.2 1,-0.3 -2,-0.2 0.382 107.0-103.5-111.6 -0.5 29.8 47.2 45.3 476 555 A G < - 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0 0 70 -5,-3.0 -1,-0.2 -6,-0.2 -2,-0.1 -0.787 30.5-174.2 -94.5 104.0 26.7 28.0 34.9 491 570 A L > - 0 0 4 -2,-0.9 4,-1.1 -3,-0.1 3,-0.3 -0.192 40.4 -87.3 -87.4-175.3 28.4 30.2 32.3 492 571 A Q T >4 S+ 0 0 3 1,-0.2 3,-1.2 2,-0.2 4,-0.4 0.945 123.6 47.9 -64.9 -54.1 27.4 30.7 28.7 493 572 A F G >4>S+ 0 0 0 125,-0.3 5,-1.8 1,-0.3 3,-0.8 0.777 106.0 61.7 -58.3 -26.2 29.3 27.9 27.0 494 573 A D G >45S+ 0 0 52 -3,-0.3 3,-1.3 1,-0.2 -1,-0.3 0.855 99.3 54.9 -64.3 -35.9 27.9 25.6 29.7 495 574 A M G <<5S+ 0 0 30 -3,-1.2 -1,-0.2 -4,-1.1 -2,-0.2 0.510 107.8 49.2 -76.9 -6.5 24.4 26.5 28.4 496 575 A W G < 5S- 0 0 31 -3,-0.8 -1,-0.3 -4,-0.4 -2,-0.2 0.262 117.1-121.0-103.5 1.8 25.7 25.3 25.0 497 576 A D T < 5 + 0 0 148 -3,-1.3 2,-0.3 1,-0.2 -3,-0.2 0.935 69.3 127.0 53.3 56.0 26.9 22.1 26.6 498 577 A Q < - 0 0 96 -5,-1.8 -1,-0.2 120,-0.1 -2,-0.2 -0.997 62.3-120.8-141.2 141.2 30.6 22.7 25.6 499 578 A K - 0 0 110 -2,-0.3 2,-0.0 -3,-0.1 0, 0.0 -0.552 42.8-109.8 -71.5 143.3 34.0 22.9 27.3 500 579 A P - 0 0 35 0, 0.0 -1,-0.1 0, 0.0 6,-0.0 -0.334 30.2-103.5 -69.0 163.3 35.6 26.3 26.7 501 580 A Y - 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0 0 1 -4,-2.4 2,-0.3 -5,-0.6 -1,-0.2 -0.340 24.1 -83.1 81.0-170.8 28.7 37.3 42.4 518 597 A V - 0 0 1 -46,-0.1 -40,-1.7 -40,-0.1 -49,-0.2 -0.914 17.0-133.3-130.2 161.0 29.0 39.7 39.4 519 598 A R S S+ 0 0 40 -51,-1.1 2,-0.5 -2,-0.3 -40,-0.1 0.779 89.8 55.7 -81.3 -27.7 28.0 43.3 38.9 520 599 A N - 0 0 2 1,-0.1 -96,-0.2 -55,-0.1 -1,-0.1 -0.918 62.4-154.0-119.4 125.6 26.4 42.8 35.5 521 600 A S S S+ 0 0 3 -98,-2.4 2,-0.3 -2,-0.5 -1,-0.1 0.855 90.8 13.4 -59.0 -35.6 23.7 40.3 34.5 522 601 A L + 0 0 0 -98,-0.3 -96,-1.6 -99,-0.2 -1,-0.1 -0.961 57.4 173.6-141.2 155.3 25.0 40.3 31.0 523 602 A T + 0 0 0 -2,-0.3 -95,-2.7 1,-0.2 2,-0.5 0.641 55.5 62.4-131.8 -29.0 28.3 41.6 29.3 524 603 A M B +e 428 0C 3 -97,-0.3 98,-1.8 2,-0.0 -1,-0.2 -0.928 36.3 143.4-123.4 124.3 28.7 40.7 25.6 525 604 A A - 0 0 0 -97,-2.5 99,-0.1 -2,-0.5 2,-0.1 -0.477 36.6-144.6-157.3 83.8 26.6 41.6 22.6 526 605 A P - 0 0 1 0, 0.0 99,-1.3 0, 0.0 -97,-0.2 -0.275 26.5-162.5 -52.4 116.8 28.6 42.2 19.3 527 606 A M - 0 0 6 97,-0.2 -97,-0.3 -160,-0.1 14,-0.1 -0.498 32.5 -97.0-104.5 168.1 26.7 45.1 17.5 528 607 A P - 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