==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=17-JUN-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 29-MAR-12 3VQR . COMPND 2 MOLECULE: PUTATIVE OXIDOREDUCTASE; . SOURCE 2 ORGANISM_SCIENTIFIC: AEROPYRUM PERNIX; . AUTHOR H.SAKURABA,T.OHSHIMA,T.SATOMURA,K.YONEDA . 850 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 34199.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 603 70.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 55 6.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 136 16.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 6 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.2 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 . 93 10.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 79 9.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 186 21.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 23 2.7 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 0 3 1 4 2 2 0 1 0 0 3 2 2 0 0 2 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 0 5 3 0 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 PARALLEL BRIDGES PER LADDER . 5 0 10 4 4 0 2 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 2 2 0 0 0 0 2 0 1 1 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 2 A P 0 0 112 0, 0.0 219,-2.6 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 105.1 59.0 51.5 40.1 2 3 A R E +a 220 0A 131 217,-0.2 2,-0.3 219,-0.0 219,-0.2 -0.983 360.0 176.3-136.4 125.1 62.5 49.9 39.8 3 4 A F E -a 221 0A 22 217,-2.4 219,-3.0 -2,-0.4 220,-0.4 -0.919 35.1-133.4-127.6 151.1 65.6 50.8 41.8 4 5 A D E S+ 0 0 38 24,-0.4 219,-2.6 -2,-0.3 220,-0.8 0.957 97.3 20.0 -64.7 -51.2 69.0 49.4 42.0 5 6 A Y E -ab 224 29A 19 23,-2.3 25,-2.2 218,-0.2 2,-0.4 -0.962 64.7-164.8-125.0 138.0 69.0 49.3 45.8 6 7 A V E -ab 225 30A 0 218,-1.5 220,-3.1 -2,-0.4 2,-0.5 -0.996 7.6-162.3-119.7 124.4 66.1 49.3 48.2 7 8 A V E -ab 226 31A 0 23,-3.3 25,-3.1 -2,-0.4 2,-0.8 -0.941 8.2-150.2-108.8 122.0 66.8 50.0 51.8 8 9 A V E +ab 227 32A 16 218,-3.3 220,-2.5 -2,-0.5 25,-0.2 -0.848 68.2 41.3 -89.5 113.6 64.1 49.0 54.4 9 10 A G - 0 0 6 23,-2.7 24,-0.2 -2,-0.8 220,-0.1 0.183 51.9-153.6 116.1 118.2 64.3 51.5 57.3 10 11 A A + 0 0 0 4,-0.2 29,-2.7 27,-0.1 30,-0.1 -0.196 61.9 116.5-111.7 34.6 64.8 55.2 57.7 11 12 A G S > S- 0 0 17 217,-0.4 4,-2.5 27,-0.2 5,-0.3 -0.230 91.6 -81.5 -77.6-177.4 66.4 54.9 61.1 12 13 A V H > S+ 0 0 5 1,-0.2 4,-1.7 2,-0.2 5,-0.1 0.841 130.8 49.4 -61.5 -31.5 70.0 56.0 61.5 13 14 A V H > S+ 0 0 16 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.937 113.7 43.4 -75.7 -46.0 71.4 52.7 60.2 14 15 A G H > S+ 0 0 0 214,-0.4 4,-2.8 2,-0.2 5,-0.2 0.900 114.8 50.2 -65.3 -37.0 69.2 52.6 57.1 15 16 A L H X S+ 0 0 0 -4,-2.5 4,-1.7 1,-0.2 -1,-0.2 0.893 112.6 46.5 -69.4 -39.5 69.7 56.3 56.3 16 17 A A H X S+ 0 0 0 -4,-1.7 4,-2.1 -5,-0.3 5,-0.2 0.899 112.9 50.0 -62.9 -43.7 73.5 56.0 56.6 17 18 A A H X S+ 0 0 0 -4,-2.4 4,-2.3 1,-0.2 -2,-0.2 0.902 110.6 49.9 -62.4 -44.9 73.5 52.8 54.4 18 19 A A H X S+ 0 0 0 -4,-2.8 4,-2.4 2,-0.2 -1,-0.2 0.883 109.3 51.6 -60.2 -42.9 71.4 54.5 51.7 19 20 A Y H X S+ 0 0 64 -4,-1.7 4,-2.8 2,-0.2 5,-0.2 0.973 114.4 41.3 -61.2 -54.4 73.7 57.6 51.6 20 21 A Y H X S+ 0 0 9 -4,-2.1 4,-2.8 1,-0.2 5,-0.3 0.870 115.3 52.3 -62.8 -36.0 76.9 55.5 51.2 21 22 A L H X S+ 0 0 0 -4,-2.3 4,-1.9 -5,-0.2 6,-0.5 0.897 111.4 46.4 -64.9 -42.1 75.2 53.2 48.8 22 23 A K H X S+ 0 0 41 -4,-2.4 4,-1.7 -5,-0.2 -2,-0.2 0.969 118.4 40.2 -62.7 -53.6 74.0 56.1 46.6 23 24 A V H < S+ 0 0 77 -4,-2.8 -2,-0.2 -5,-0.2 -3,-0.2 0.944 120.9 41.9 -67.1 -44.7 77.3 57.9 46.5 24 25 A W H < S+ 0 0 89 -4,-2.8 -1,-0.2 -5,-0.2 -3,-0.2 0.850 121.4 38.5 -72.0 -34.8 79.5 54.9 46.1 25 26 A S H < S- 0 0 35 -4,-1.9 -1,-0.2 -5,-0.3 -2,-0.2 0.746 84.6-144.6 -87.8 -22.7 77.4 53.0 43.6 26 27 A G < + 0 0 66 -4,-1.7 -4,-0.1 -5,-0.3 -3,-0.1 0.599 63.8 117.8 62.2 8.5 76.2 55.8 41.4 27 28 A G S S- 0 0 12 -6,-0.5 2,-0.3 -5,-0.2 -1,-0.2 -0.322 76.3 -78.6 -94.9-177.1 72.9 53.8 41.1 28 29 A S - 0 0 37 -2,-0.1 -23,-2.3 -3,-0.1 -24,-0.4 -0.663 46.3-170.0 -84.1 137.2 69.3 54.5 42.1 29 30 A V E -b 5 0A 1 145,-0.3 147,-2.6 -2,-0.3 2,-0.4 -0.999 6.1-169.7-135.2 127.9 68.5 54.0 45.9 30 31 A L E -bc 6 176A 3 -25,-2.2 -23,-3.3 -2,-0.4 2,-0.5 -0.982 8.0-156.6-117.0 133.5 65.1 54.0 47.5 31 32 A V E -bc 7 177A 0 145,-2.5 147,-2.3 -2,-0.4 2,-0.4 -0.940 12.0-168.0-102.3 131.6 64.5 54.0 51.2 32 33 A V E +bc 8 178A 0 -25,-3.1 -23,-2.7 -2,-0.5 2,-0.4 -0.942 9.0 174.1-119.5 131.0 61.1 52.6 52.4 33 34 A D - 0 0 26 145,-2.2 148,-1.5 -2,-0.4 147,-0.5 -0.995 35.2-143.2-140.5 146.4 59.8 53.1 55.9 34 35 A A S S+ 0 0 41 -2,-0.4 148,-0.1 146,-0.2 -1,-0.1 0.722 83.7 84.2 -75.7 -25.6 56.5 52.2 57.6 35 36 A G S S- 0 0 14 2,-0.1 145,-3.0 146,-0.1 146,-0.3 -0.230 85.8-123.2 -68.2 162.2 56.7 55.5 59.7 36 37 A H S S+ 0 0 169 143,-0.2 143,-0.1 144,-0.1 -1,-0.1 0.520 92.4 19.6 -85.1 -10.5 55.6 58.9 58.3 37 38 A A S > S- 0 0 49 142,-0.0 3,-0.8 -27,-0.0 -27,-0.1 -0.947 97.7 -77.3-149.3 164.8 59.0 60.5 58.8 38 39 A P T 3 S+ 0 0 34 0, 0.0 -27,-0.2 0, 0.0 126,-0.1 -0.342 111.5 24.0 -63.9 154.0 62.6 59.4 59.3 39 40 A G T 3 S+ 0 0 10 -29,-2.7 -28,-0.2 124,-0.1 5,-0.1 0.720 73.1 136.3 63.3 29.5 63.6 58.1 62.7 40 41 A S < + 0 0 57 -3,-0.8 -1,-0.1 -30,-0.1 -29,-0.1 0.611 62.0 62.3 -80.6 -5.4 60.1 57.0 63.7 41 42 A G S > S- 0 0 13 -31,-0.1 3,-2.1 -6,-0.0 189,-0.1 0.128 124.8 -46.2 -96.3-144.8 61.6 53.7 65.2 42 43 A D G > S+ 0 0 38 1,-0.3 3,-2.1 2,-0.2 4,-0.2 0.716 124.6 78.8 -71.1 -15.4 64.0 53.3 68.0 43 44 A S G 3 S+ 0 0 17 1,-0.3 -1,-0.3 2,-0.1 3,-0.2 0.712 100.7 42.7 -55.5 -22.5 66.2 56.1 66.6 44 45 A G G < S+ 0 0 44 -3,-2.1 -1,-0.3 1,-0.1 -2,-0.2 0.199 109.6 59.7-102.0 14.0 63.6 58.5 68.1 45 46 A R S < S+ 0 0 81 -3,-2.1 -2,-0.1 305,-0.1 -1,-0.1 0.213 83.3 103.5-123.5 15.2 63.3 56.6 71.4 46 47 A S S S- 0 0 35 -4,-0.2 113,-0.1 -3,-0.2 -3,-0.0 -0.181 80.7-110.7-100.7-178.2 66.8 56.6 72.8 47 48 A M - 0 0 18 2,-0.1 110,-0.1 -2,-0.1 3,-0.1 0.456 44.1-134.4 -94.0 -2.3 68.7 58.5 75.4 48 49 A A + 0 0 4 1,-0.2 109,-2.6 108,-0.1 2,-0.3 0.907 56.7 140.6 51.5 44.9 70.6 60.3 72.7 49 50 A A E -H 156 0B 14 107,-0.3 2,-0.3 33,-0.0 107,-0.3 -0.809 29.6-169.8-109.0 165.5 73.9 59.7 74.6 50 51 A F E +H 155 0B 0 105,-2.1 105,-2.8 -2,-0.3 2,-0.3 -0.988 12.4 169.7-153.3 153.6 77.3 58.8 73.0 51 52 A R E -H 154 0B 48 -2,-0.3 103,-0.2 103,-0.3 16,-0.1 -0.940 22.8-165.5-158.0 166.1 80.8 57.7 73.9 52 53 A T + 0 0 24 101,-1.2 2,-0.7 -2,-0.3 12,-0.2 0.185 60.4 111.4-133.8 -0.2 84.0 56.4 72.1 53 54 A F + 0 0 24 100,-0.4 2,-0.3 10,-0.1 54,-0.1 -0.752 42.5 137.1 -88.1 109.2 85.8 55.1 75.4 54 55 A F - 0 0 3 -2,-0.7 369,-0.0 52,-0.2 6,-0.0 -0.984 58.9-133.1-154.0 155.1 85.9 51.3 75.3 55 56 A S S S+ 0 0 30 -2,-0.3 2,-0.4 370,-0.1 -1,-0.1 0.637 89.5 74.3 -82.6 -19.4 88.2 48.4 76.0 56 57 A S S >> S- 0 0 2 1,-0.1 4,-3.0 365,-0.1 3,-0.8 -0.785 72.5-141.9-104.1 143.2 87.3 46.8 72.6 57 58 A T H 3>>S+ 0 0 35 -2,-0.4 4,-2.8 1,-0.3 5,-0.6 0.960 101.2 60.7 -62.6 -48.5 88.4 47.7 69.1 58 59 A M H 345S+ 0 0 7 1,-0.3 -1,-0.3 2,-0.2 5,-0.2 0.654 114.6 39.9 -61.9 -14.9 85.1 47.0 67.5 59 60 A N H <>>S+ 0 0 5 -3,-0.8 4,-2.0 3,-0.1 5,-0.7 0.824 114.2 47.7 -95.7 -40.4 83.8 49.6 69.8 60 61 A R H X5S+ 0 0 101 -4,-3.0 4,-2.1 1,-0.2 5,-0.2 0.947 121.1 36.9 -63.8 -44.4 86.5 52.3 69.8 61 62 A L H X5S+ 0 0 31 -4,-2.8 4,-2.3 3,-0.2 5,-0.3 0.943 120.5 43.8 -74.8 -42.9 86.8 52.4 66.1 62 63 A V H >S+ 0 0 13 -4,-3.2 5,-2.7 -5,-0.2 3,-0.3 0.957 112.6 48.4 -55.5 -43.4 79.6 68.0 61.0 74 75 A Q H ><5S+ 0 0 56 -4,-2.3 3,-1.3 -5,-0.3 -2,-0.2 0.890 106.7 56.0 -64.1 -36.0 79.0 70.2 63.9 75 76 A R H 3<5S+ 0 0 186 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.818 107.5 50.6 -65.9 -27.4 82.3 72.1 63.2 76 77 A G T 3<5S- 0 0 70 -4,-1.7 -1,-0.3 -3,-0.3 -2,-0.2 0.346 133.8 -81.2 -97.2 4.6 81.2 72.9 59.7 77 78 A G T < 5S+ 0 0 68 -3,-1.3 2,-0.8 1,-0.3 -3,-0.2 0.344 87.6 127.1 116.4 -3.1 77.8 74.3 60.6 78 79 A E < - 0 0 54 -5,-2.7 2,-0.7 -6,-0.2 -1,-0.3 -0.791 52.8-141.4 -88.0 115.9 75.6 71.3 61.2 79 80 A D + 0 0 92 -2,-0.8 86,-0.1 1,-0.2 -5,-0.1 -0.626 32.8 162.9 -80.4 113.0 73.9 71.5 64.5 80 81 A L - 0 0 0 -2,-0.7 78,-2.7 -10,-0.1 82,-0.2 0.357 51.2-122.8-108.2 7.8 73.8 68.1 66.1 81 82 A G + 0 0 17 76,-0.2 2,-0.6 1,-0.2 78,-0.1 0.718 53.0 166.4 53.5 27.4 73.1 69.4 69.7 82 83 A L - 0 0 17 75,-0.2 2,-0.5 -12,-0.1 75,-0.3 -0.596 15.4-179.3 -78.9 116.4 76.2 67.5 70.7 83 84 A V B -I 156 0B 32 73,-3.2 73,-1.9 -2,-0.6 2,-1.4 -0.960 22.5-147.9-119.9 120.8 77.5 68.4 74.2 84 85 A K + 0 0 80 -2,-0.5 71,-0.2 71,-0.2 70,-0.2 -0.276 46.4 142.2 -91.3 56.8 80.6 66.7 75.3 85 86 A S - 0 0 0 -2,-1.4 188,-0.3 1,-0.2 70,-0.3 0.416 52.2-132.1 -79.9 -2.4 79.6 66.7 78.9 86 87 A G - 0 0 0 68,-2.8 194,-2.1 66,-0.3 2,-0.4 0.041 14.9 -82.3 80.7 169.4 81.0 63.2 79.7 87 88 A Y E -Jk 151 280C 20 64,-1.3 64,-3.7 192,-0.2 2,-0.7 -0.969 34.1-151.5-107.3 141.0 79.8 60.0 81.5 88 89 A L E -Jk 150 281C 0 192,-3.4 194,-2.8 -2,-0.4 2,-1.1 -0.885 5.3-163.5-119.1 95.4 80.1 60.0 85.3 89 90 A F E -Jk 149 282C 17 60,-2.8 60,-2.2 -2,-0.7 2,-0.5 -0.672 12.2-157.2 -79.1 96.3 80.5 56.5 86.6 90 91 A V E -J 148 0C 0 192,-1.8 2,-0.4 -2,-1.1 58,-0.2 -0.620 14.7-158.6 -85.0 126.8 79.7 56.8 90.3 91 92 A Y E -J 147 0C 19 56,-2.2 55,-3.2 -2,-0.5 56,-1.1 -0.863 25.0-171.4-117.7 134.8 81.2 54.1 92.4 92 93 A D > - 0 0 4 -2,-0.4 4,-2.3 53,-0.3 5,-0.2 -0.410 60.3 -82.2 -90.2-176.1 80.8 52.4 95.7 93 94 A R H > S+ 0 0 161 51,-0.4 4,-2.1 1,-0.2 5,-0.1 0.923 132.5 45.8 -54.6 -46.6 83.5 49.9 96.7 94 95 A E H > S+ 0 0 62 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.875 111.0 49.8 -66.8 -44.5 81.9 47.1 94.6 95 96 A R H > S+ 0 0 11 2,-0.2 4,-0.8 1,-0.2 -1,-0.2 0.848 111.3 52.1 -66.8 -32.0 81.4 49.2 91.5 96 97 A W H >X S+ 0 0 76 -4,-2.3 4,-3.2 2,-0.2 3,-0.6 0.915 105.8 54.7 -60.2 -48.8 85.0 50.3 91.8 97 98 A R H 3< S+ 0 0 194 -4,-2.1 4,-0.5 1,-0.3 -2,-0.2 0.904 111.7 42.8 -54.7 -47.2 86.0 46.6 92.0 98 99 A E H 3< S+ 0 0 81 -4,-2.2 -1,-0.3 1,-0.2 -2,-0.2 0.685 122.7 40.1 -72.0 -18.3 84.2 45.9 88.7 99 100 A V H 4 S+ 0 0 137 -4,-0.5 3,-1.3 1,-0.2 -1,-0.2 0.958 114.5 38.9 -64.2 -60.8 90.8 46.8 85.8 102 103 A P H >4 S+ 0 0 22 0, 0.0 3,-2.7 0, 0.0 4,-0.3 0.803 102.9 70.6 -64.6 -38.0 89.4 47.6 82.4 103 104 A L H >< S+ 0 0 16 -4,-1.8 3,-0.6 1,-0.3 -2,-0.2 0.788 99.2 52.4 -43.3 -35.9 89.5 51.4 82.9 104 105 A R T << S+ 0 0 156 -3,-1.3 -1,-0.3 -4,-0.8 -3,-0.1 0.019 105.8 52.5 -95.9 22.8 93.4 51.0 82.7 105 106 A E T < S+ 0 0 154 -3,-2.7 -1,-0.2 2,-0.1 -2,-0.2 0.235 105.5 55.6-126.8 7.1 93.2 49.2 79.4 106 107 A A S < S- 0 0 12 -3,-0.6 -52,-0.2 1,-0.4 -2,-0.1 0.244 117.2 -65.2-118.0 7.0 91.1 51.9 77.8 107 108 A G - 0 0 30 -54,-0.1 -1,-0.4 -4,-0.1 -2,-0.1 -0.431 62.2 -41.4 124.4 169.0 93.3 54.9 78.4 108 109 A E >> - 0 0 103 -2,-0.1 5,-1.4 1,-0.1 4,-0.8 -0.043 44.5-108.1 -76.6 156.0 95.0 57.4 80.8 109 110 A E B 45S+l 113 0C 96 3,-0.2 2,-0.6 1,-0.1 5,-0.2 -0.664 103.1 22.9 -78.6 135.4 94.1 59.3 83.9 110 111 A G T 45S+ 0 0 25 3,-3.8 -1,-0.1 -2,-0.4 42,-0.1 -0.785 123.7 39.0 111.6 -91.9 93.7 62.9 82.8 111 112 A R T 45S+ 0 0 163 -2,-0.6 -1,-0.1 1,-0.1 -2,-0.1 0.935 128.2 30.1 -64.9 -46.1 93.0 63.2 79.1 112 113 A D T <5S- 0 0 59 -4,-0.8 40,-2.5 1,-0.2 41,-0.5 0.907 132.6 -4.4 -84.8 -41.8 90.7 60.2 78.9 113 114 A Y E < -lM 109 151C 17 -5,-1.4 -3,-3.8 38,-0.2 2,-0.3 -0.958 58.0-148.7-145.5 162.4 89.1 60.1 82.3 114 115 A L E - M 0 150C 63 36,-2.0 36,-3.0 -2,-0.3 2,-0.8 -0.995 20.3-125.0-135.1 141.0 89.3 61.9 85.8 115 116 A I E - M 0 149C 86 -2,-0.3 34,-0.2 34,-0.2 -2,-0.0 -0.782 24.3-160.2 -80.3 103.3 88.8 60.7 89.4 116 117 A I E - M 0 148C 9 32,-2.9 32,-2.0 -2,-0.8 -2,-0.0 -0.705 16.3-135.0 -84.4 123.7 86.2 63.0 91.0 117 118 A P >> - 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0 0 5 23,-2.9 24,-0.2 -2,-0.7 220,-0.1 0.253 52.2-155.2 115.8 114.1 64.3 18.2 78.4 436 11 B A + 0 0 0 4,-0.2 29,-2.4 27,-0.1 30,-0.1 -0.163 60.8 115.9-111.4 34.4 64.9 14.5 78.0 437 12 B G S > S- 0 0 16 217,-0.4 4,-2.4 27,-0.2 5,-0.3 -0.257 92.7 -80.0 -77.3-176.5 66.4 14.7 74.5 438 13 B V H > S+ 0 0 4 1,-0.2 4,-1.6 2,-0.2 5,-0.1 0.814 131.0 51.3 -59.3 -30.6 70.0 13.6 74.2 439 14 B V H > S+ 0 0 17 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.934 113.3 41.2 -77.6 -45.7 71.3 16.9 75.5 440 15 B G H > S+ 0 0 1 214,-0.3 4,-2.7 2,-0.2 -2,-0.2 0.883 114.4 52.6 -66.3 -35.8 69.3 17.0 78.6 441 16 B L H X S+ 0 0 0 -4,-2.4 4,-1.9 1,-0.2 -1,-0.2 0.893 112.4 46.1 -66.8 -39.5 69.8 13.3 79.4 442 17 B A H X S+ 0 0 0 -4,-1.6 4,-2.2 -5,-0.3 5,-0.3 0.919 112.6 49.4 -65.8 -44.3 73.5 13.7 79.1 443 18 B A H X S+ 0 0 0 -4,-2.5 4,-2.2 1,-0.2 -2,-0.2 0.912 111.5 50.0 -62.1 -43.5 73.5 16.9 81.2 444 19 B A H X S+ 0 0 0 -4,-2.7 4,-2.4 2,-0.2 -1,-0.2 0.886 108.9 51.0 -61.7 -46.1 71.5 15.1 83.9 445 20 B Y H X S+ 0 0 63 -4,-1.9 4,-2.9 2,-0.2 5,-0.3 0.973 115.4 41.4 -56.6 -55.0 73.7 12.0 84.1 446 21 B Y H X S+ 0 0 10 -4,-2.2 4,-3.0 1,-0.2 5,-0.3 0.888 114.8 52.1 -64.1 -35.6 76.9 14.1 84.5 447 22 B L H X S+ 0 0 0 -4,-2.2 4,-1.5 -5,-0.3 6,-0.5 0.883 111.5 46.8 -67.4 -38.8 75.2 16.5 86.9 448 23 B K H X S+ 0 0 42 -4,-2.4 4,-1.7 -5,-0.2 -2,-0.2 0.962 118.1 40.5 -65.0 -53.8 74.0 13.5 89.0 449 24 B V H < S+ 0 0 80 -4,-2.9 -2,-0.2 1,-0.2 -3,-0.2 0.933 119.7 43.0 -66.0 -43.7 77.4 11.8 89.1 450 25 B W H < S+ 0 0 90 -4,-3.0 -1,-0.2 -5,-0.3 -3,-0.2 0.826 122.4 35.3 -75.1 -30.4 79.6 14.8 89.5 451 26 B S H < S- 0 0 40 -4,-1.5 -1,-0.2 -5,-0.3 -2,-0.2 0.748 85.5-143.5 -93.6 -24.8 77.5 16.7 92.2 452 27 B G < + 0 0 66 -4,-1.7 -4,-0.1 -5,-0.3 -3,-0.1 0.632 62.6 120.7 61.6 12.0 76.1 13.8 94.2 453 28 B G S S- 0 0 13 -6,-0.5 2,-0.3 -5,-0.2 -1,-0.2 -0.356 74.5 -80.0 -91.2-177.0 72.9 15.9 94.6 454 29 B S - 0 0 37 -2,-0.1 -23,-2.1 -3,-0.1 -24,-0.5 -0.647 46.5-170.4 -82.6 137.0 69.3 15.1 93.5 455 30 B V E -u 431 0E 1 145,-0.3 147,-2.5 -2,-0.3 2,-0.4 -1.000 6.7-169.8-138.7 130.8 68.5 15.7 89.8 456 31 B L E -uv 432 602E 3 -25,-2.2 -23,-3.1 -2,-0.4 2,-0.5 -0.987 8.2-156.4-122.7 135.1 65.1 15.6 88.1 457 32 B V E -uv 433 603E 0 145,-2.4 147,-2.3 -2,-0.4 2,-0.4 -0.932 12.5-168.4-105.8 131.0 64.5 15.6 84.4 458 33 B V E +uv 434 604E 1 -25,-3.0 -23,-2.9 -2,-0.5 2,-0.4 -0.967 8.6 174.2-121.3 136.1 61.1 17.0 83.3 459 34 B D E - v 0 605E 26 145,-2.0 148,-1.5 -2,-0.4 147,-0.5 -0.993 36.2-142.1-144.9 143.9 59.7 16.6 79.7 460 35 B A S S+ 0 0 41 -2,-0.4 148,-0.1 146,-0.2 -1,-0.1 0.703 84.2 85.9 -74.3 -24.1 56.5 17.5 78.0 461 36 B G S S- 0 0 14 146,-0.1 145,-2.7 2,-0.1 146,-0.3 -0.279 85.1-123.9 -70.1 158.8 56.8 14.2 76.0 462 37 B H S S+ 0 0 166 143,-0.2 143,-0.1 144,-0.1 -1,-0.1 0.589 92.2 18.0 -78.8 -14.5 55.6 10.8 77.3 463 38 B A S > S- 0 0 49 142,-0.0 3,-0.7 0, 0.0 -27,-0.1 -0.942 98.3 -76.6-149.7 164.6 59.0 9.2 76.9 464 39 B P T 3 S+ 0 0 34 0, 0.0 -27,-0.2 0, 0.0 -2,-0.1 -0.314 111.5 25.3 -61.9 154.3 62.6 10.3 76.4 465 40 B G T 3 S+ 0 0 11 -29,-2.4 -28,-0.2 124,-0.1 124,-0.1 0.743 73.6 136.5 64.2 31.7 63.7 11.6 73.0 466 41 B S < + 0 0 56 -3,-0.7 -1,-0.1 -30,-0.1 -29,-0.1 0.601 61.6 60.4 -85.3 -4.5 60.2 12.7 72.0 467 42 B G S > S- 0 0 12 -31,-0.1 3,-1.8 -6,-0.0 189,-0.1 0.173 125.4 -43.6 -97.0-143.9 61.6 16.0 70.5 468 43 B D G > S+ 0 0 39 1,-0.3 3,-1.7 2,-0.2 4,-0.2 0.671 124.4 78.4 -67.5 -13.0 64.1 16.3 67.7 469 44 B S G 3 S+ 0 0 17 1,-0.3 -1,-0.3 2,-0.2 3,-0.2 0.694 101.5 41.5 -60.3 -19.9 66.2 13.5 69.1 470 45 B G G < S+ 0 0 44 -3,-1.8 -1,-0.3 1,-0.1 -2,-0.2 0.187 110.3 61.2-105.7 14.0 63.6 11.1 67.6 471 46 B R S < S+ 0 0 83 -3,-1.7 -2,-0.2 305,-0.1 -3,-0.1 0.212 83.5 102.9-121.2 12.8 63.3 13.2 64.3 472 47 B S S S- 0 0 33 -4,-0.2 113,-0.1 -3,-0.2 -3,-0.0 -0.222 80.5-112.3 -99.4 179.5 66.8 13.0 62.9 473 48 B M - 0 0 18 2,-0.1 110,-0.1 -2,-0.1 3,-0.1 0.539 44.5-137.1 -85.9 -10.9 68.8 11.2 60.2 474 49 B A + 0 0 4 1,-0.2 109,-2.4 108,-0.1 2,-0.3 0.924 55.3 140.8 51.2 49.3 70.7 9.4 63.0 475 50 B A E -A 582 0F 17 107,-0.3 2,-0.3 33,-0.0 107,-0.3 -0.808 29.9-169.5-108.6 165.0 73.9 9.9 61.0 476 51 B F E +A 581 0F 0 105,-2.0 105,-2.7 -2,-0.3 2,-0.3 -0.981 11.9 170.5-149.2 158.3 77.3 10.8 62.6 477 52 B R E -A 580 0F 52 -2,-0.3 103,-0.2 103,-0.3 16,-0.1 -0.954 23.3-164.4-161.4 168.0 80.9 11.9 61.7 478 53 B T + 0 0 25 101,-1.4 2,-0.6 -2,-0.3 12,-0.2 0.287 59.9 109.4-134.7 -4.4 84.1 13.2 63.4 479 54 B F + 0 0 26 100,-0.5 2,-0.3 10,-0.1 54,-0.1 -0.733 43.7 142.1 -87.4 112.9 85.9 14.5 60.3 480 55 B F - 0 0 5 -2,-0.6 369,-0.0 52,-0.1 -2,-0.0 -0.969 57.0-134.6-151.8 157.8 85.9 18.3 60.4 481 56 B S S S+ 0 0 19 -2,-0.3 2,-0.4 370,-0.1 -1,-0.1 0.659 89.5 77.9 -85.7 -19.9 88.2 21.3 59.6 482 57 B S S > S- 0 0 1 1,-0.1 4,-2.4 365,-0.1 5,-0.2 -0.742 71.2-146.1-104.7 136.2 87.3 22.8 63.0 483 58 B T H > S+ 0 0 35 -2,-0.4 4,-3.3 2,-0.2 5,-0.4 0.966 99.0 55.8 -62.5 -51.7 88.8 21.8 66.3 484 59 B M H > S+ 0 0 9 1,-0.3 4,-3.1 2,-0.2 5,-0.4 0.932 114.1 43.4 -55.4 -46.4 85.8 22.4 68.3 485 60 B N H >>S+ 0 0 5 2,-0.2 4,-1.9 1,-0.2 5,-0.6 0.877 112.1 49.8 -64.3 -38.9 84.0 20.1 66.0 486 61 B R H X5S+ 0 0 82 -4,-2.4 4,-1.8 -3,-0.3 5,-0.2 0.944 119.8 39.3 -65.2 -44.0 86.6 17.4 65.8 487 62 B L H X5S+ 0 0 37 -4,-3.3 4,-2.1 3,-0.2 5,-0.3 0.940 118.2 44.7 -73.6 -43.7 86.9 17.3 69.5 488 63 B V H X5S+ 0 0 4 -4,-3.1 4,-1.3 -5,-0.4 323,-0.4 0.952 125.7 33.2 -62.9 -53.2 83.1 17.7 70.5 489 64 B A H X5S+ 0 0 0 -4,-1.9 4,-2.7 -5,-0.4 5,-0.3 0.928 115.7 59.2 -69.0 -41.5 81.9 15.3 67.9 490 65 B G H XS+ 0 0 13 -4,-3.0 5,-2.6 -5,-0.2 3,-0.4 0.951 113.0 47.6 -62.1 -46.0 79.7 1.6 74.7 500 75 B Q H ><5S+ 0 0 56 -4,-2.1 3,-1.5 -5,-0.3 -2,-0.2 0.918 106.6 58.6 -58.7 -41.4 79.0 -0.6 71.8 501 76 B R H 3<5S+ 0 0 184 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.846 107.4 47.6 -57.2 -31.7 82.4 -2.4 72.4 502 77 B G T 3<5S- 0 0 70 -4,-1.4 -1,-0.3 -3,-0.4 -2,-0.2 0.300 134.4 -75.9-103.2 9.1 81.3 -3.3 76.0 503 78 B G T < 5S+ 0 0 64 -3,-1.5 2,-0.7 -4,-0.3 -3,-0.2 0.207 89.9 123.8 123.1 -11.9 77.8 -4.7 75.2 504 79 B E < - 0 0 61 -5,-2.6 2,-0.6 -6,-0.2 -1,-0.2 -0.727 53.3-141.5 -87.2 116.5 75.6 -1.7 74.5 505 80 B D + 0 0 75 -2,-0.7 86,-0.1 1,-0.2 -5,-0.1 -0.610 32.0 163.2 -82.7 116.0 73.9 -1.9 71.1 506 81 B L - 0 0 0 -2,-0.6 78,-2.7 -10,-0.1 82,-0.2 0.347 50.8-123.3-109.4 7.5 73.8 1.5 69.5 507 82 B G + 0 0 8 76,-0.2 2,-0.5 1,-0.2 78,-0.1 0.716 53.2 166.3 49.5 27.5 73.1 0.3 65.9 508 83 B L - 0 0 21 75,-0.2 2,-0.5 -12,-0.1 75,-0.3 -0.541 13.8-177.8 -71.4 116.7 76.3 2.2 65.1 509 84 B V B -B 582 0F 31 73,-3.5 73,-1.8 -2,-0.5 2,-1.1 -0.966 22.3-147.2-118.1 125.3 77.5 1.2 61.5 510 85 B K + 0 0 83 -2,-0.5 70,-0.2 71,-0.2 71,-0.2 -0.144 47.8 139.3 -90.7 54.6 80.6 2.8 60.4 511 86 B S - 0 0 0 -2,-1.1 188,-0.3 1,-0.2 70,-0.3 0.434 53.0-134.6 -78.5 -6.3 79.7 2.9 56.7 512 87 B G - 0 0 0 68,-2.6 194,-2.1 -3,-0.3 2,-0.4 0.002 14.8 -80.1 85.0 167.9 81.0 6.4 56.0 513 88 B Y E -Cd 577 706G 24 64,-1.4 64,-4.3 192,-0.2 2,-0.6 -0.956 34.2-153.4-106.8 143.8 79.8 9.6 54.2 514 89 B L E -Cd 576 707G 0 192,-3.0 194,-3.0 -2,-0.4 2,-1.1 -0.905 4.4-163.9-123.5 95.0 80.2 9.6 50.4 515 90 B F E -Cd 575 708G 19 60,-2.6 60,-2.3 -2,-0.6 2,-0.5 -0.710 12.7-156.3 -81.0 97.1 80.5 13.2 49.1 516 91 B V E -C 574 0G 0 192,-1.8 2,-0.4 -2,-1.1 58,-0.2 -0.627 14.9-157.3 -86.8 126.5 79.8 12.8 45.4 517 92 B Y E -C 573 0G 23 56,-2.5 55,-3.3 -2,-0.5 56,-1.3 -0.859 24.4-172.7-115.8 135.5 81.3 15.6 43.3 518 93 B D > - 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