==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=27-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER MOLYBDENUM COFACTOR BIOSYNTHESIS 17-JUL-01 1EAV . COMPND 2 MOLECULE: MOLYBDOPTERIN BIOSYNTHESIS CNX1 PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: ARABIDOPSIS THALIANA; . AUTHOR G.SCHWARZ,N.SCHRADER,R.R.MENDEL,H.J.HECHT . 1273 8 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 53660.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 971 76.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 176 13.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 72 5.7 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 8 0.6 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 . 79 6.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 145 11.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 436 34.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 25 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 5 3 10 0 1 3 0 1 10 8 4 0 1 0 2 1 2 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 0 16 0 0 8 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 . 4 8 0 8 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 . 0 0 0 0 4 4 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 3 A G 0 0 121 0, 0.0 2,-0.3 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 -90.5 137.6 125.8 -5.5 2 4 A P - 0 0 69 0, 0.0 3,-0.1 0, 0.0 40,-0.1 -0.611 360.0-151.1 -54.4 134.3 140.7 124.7 -3.7 3 5 A E S S+ 0 0 129 -2,-0.3 2,-0.8 1,-0.2 39,-0.2 0.952 74.2 48.7 -87.0 -51.9 139.4 122.0 -1.5 4 6 A Y E S-a 42 0A 26 37,-1.7 39,-2.5 32,-0.1 2,-0.7 -0.781 76.7-147.3 -94.6 114.9 141.7 122.0 1.5 5 7 A K E -a 43 0A 85 -2,-0.8 66,-2.0 37,-0.2 67,-1.9 -0.672 18.4-170.4 -82.8 120.4 142.3 125.4 2.9 6 8 A V E -ab 44 72A 0 37,-2.7 39,-2.3 -2,-0.7 40,-0.9 -0.791 7.7-173.3-113.8 139.2 145.8 125.8 4.4 7 9 A A E -ab 46 73A 0 65,-2.5 67,-2.4 -2,-0.4 2,-0.5 -0.993 9.4-152.3-134.2 144.8 147.2 128.7 6.5 8 10 A I E -ab 47 74A 2 38,-2.1 40,-2.0 -2,-0.4 2,-0.6 -0.944 3.9-165.5-124.3 124.8 150.7 129.3 7.7 9 11 A L E -ab 48 75A 0 65,-2.2 67,-2.2 -2,-0.5 2,-0.5 -0.897 8.6-155.3-109.8 118.9 151.6 131.2 10.8 10 12 A T E -ab 49 76A 5 38,-3.5 40,-2.1 -2,-0.6 2,-0.7 -0.808 8.9-158.4 -97.3 132.3 155.2 132.3 11.1 11 13 A V E +a 50 0A 5 65,-3.4 2,-0.2 -2,-0.5 67,-0.1 -0.902 35.0 123.4-114.9 116.9 156.2 132.7 14.6 12 14 A S > - 0 0 26 38,-2.9 4,-2.4 -2,-0.7 3,-0.5 -0.629 50.1-148.4-177.6 109.6 159.2 134.9 15.2 13 15 A D H > S+ 0 0 48 1,-0.3 4,-1.2 2,-0.2 6,-0.3 0.809 103.8 50.9 -46.2 -40.8 160.1 138.1 17.2 14 16 A T H 4>S+ 0 0 80 2,-0.2 5,-1.7 1,-0.2 6,-0.7 0.914 113.1 42.5 -71.4 -41.7 162.6 139.1 14.6 15 17 A V H >45S+ 0 0 25 -3,-0.5 3,-1.8 1,-0.2 994,-0.2 0.950 111.4 53.1 -69.6 -40.4 160.4 138.8 11.7 16 18 A S H 3<5S+ 0 0 43 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.788 106.3 54.5 -68.6 -23.3 157.3 140.4 13.2 17 19 A A T 3<5S- 0 0 80 -4,-1.2 -1,-0.3 -5,-0.3 -2,-0.2 0.488 115.3-112.1 -90.8 -4.2 159.3 143.4 14.2 18 20 A G T < 5S+ 0 0 36 -3,-1.8 -3,-0.2 -4,-0.4 -2,-0.1 0.567 83.3 121.5 82.9 15.1 160.5 144.1 10.7 19 21 A A S S+ 0 0 111 -2,-0.7 4,-0.6 983,-0.2 -1,-0.2 0.599 75.9 49.6 -99.4 -13.4 162.8 132.4 5.0 24 26 A S H >> S+ 0 0 14 2,-0.2 4,-2.6 3,-0.1 3,-0.8 0.913 96.7 66.2 -95.7 -39.0 160.7 129.6 6.3 25 27 A G H 3> S+ 0 0 9 1,-0.3 4,-2.4 2,-0.2 5,-0.1 0.881 104.7 46.2 -41.8 -56.4 157.2 130.9 5.4 26 28 A P H 3> S+ 0 0 2 0, 0.0 4,-1.8 0, 0.0 -1,-0.3 0.827 109.4 51.4 -70.3 -22.0 157.9 130.6 1.7 27 29 A R H < S+ 0 0 0 -4,-2.5 3,-2.3 -5,-0.2 4,-0.5 0.962 114.0 46.3 -55.0 -54.7 152.3 122.5 0.5 33 35 A D H >< S+ 0 0 41 -4,-2.2 3,-1.8 1,-0.3 4,-0.3 0.952 110.3 53.0 -56.5 -48.9 151.6 123.5 -3.1 34 36 A S H 3< S+ 0 0 104 -4,-3.1 -1,-0.3 1,-0.3 -2,-0.2 0.672 113.0 45.8 -62.4 -7.6 154.0 121.0 -4.4 35 37 A S T S+ 0 0 37 -3,-1.8 5,-4.5 -4,-0.5 4,-0.2 0.832 76.9 49.3 -45.8 -46.2 148.6 119.4 -3.3 37 39 A E T >45S+ 0 0 186 -4,-0.3 3,-3.6 1,-0.2 4,-0.2 0.999 115.2 42.1 -60.9 -64.6 147.9 116.3 -5.4 38 40 A K T 345S+ 0 0 155 1,-0.3 -1,-0.2 -4,-0.2 -2,-0.2 0.703 112.3 57.9 -58.1 -22.0 149.0 113.8 -2.8 39 41 A L T 3<5S- 0 0 0 -4,-2.2 -1,-0.3 -7,-0.2 -2,-0.2 0.425 124.9-100.6 -86.3 -1.0 147.3 115.9 -0.2 40 42 A G T < 5S- 0 0 26 -3,-3.6 -3,-0.2 -4,-0.2 -2,-0.2 0.603 80.8 -47.9 91.5 15.8 143.9 115.6 -1.9 41 43 A G S - 0 0 91 -2,-1.7 4,-2.1 1,-0.1 5,-0.2 -0.947 63.5-135.9-153.7 125.6 154.0 135.7 22.6 54 56 A V H > S+ 0 0 43 -2,-0.3 4,-4.1 1,-0.3 5,-0.2 0.875 103.5 52.0 -57.2 -44.0 151.3 133.2 23.6 55 57 A E H > S+ 0 0 103 1,-0.2 4,-3.0 2,-0.2 -1,-0.3 0.960 109.1 50.2 -55.9 -47.3 148.4 135.6 23.3 56 58 A R H > S+ 0 0 76 1,-0.2 4,-1.3 2,-0.2 -1,-0.2 0.902 116.0 42.6 -63.4 -36.9 149.5 136.6 19.9 57 59 A I H X S+ 0 0 0 -4,-2.1 4,-2.4 2,-0.2 -1,-0.2 0.920 111.7 53.3 -75.9 -41.4 149.6 133.0 18.8 58 60 A K H X S+ 0 0 31 -4,-4.1 4,-3.1 -5,-0.2 5,-0.3 0.979 105.9 53.8 -53.2 -53.3 146.4 131.9 20.5 59 61 A D H X S+ 0 0 76 -4,-3.0 4,-3.3 1,-0.3 -1,-0.2 0.874 110.7 44.4 -55.5 -48.2 144.4 134.6 18.9 60 62 A I H X S+ 0 0 26 -4,-1.3 4,-2.7 -5,-0.2 5,-0.3 0.917 112.9 51.9 -63.7 -40.5 145.4 133.7 15.4 61 63 A L H X S+ 0 0 0 -4,-2.4 4,-1.1 1,-0.2 -2,-0.2 0.943 115.3 43.3 -59.1 -38.7 144.9 130.0 16.1 62 64 A Q H X S+ 0 0 67 -4,-3.1 4,-3.4 1,-0.2 5,-0.4 0.926 114.9 48.7 -69.6 -46.9 141.5 130.9 17.4 63 65 A K H X>S+ 0 0 77 -4,-3.3 4,-2.1 -5,-0.3 5,-2.0 0.923 111.7 45.7 -65.1 -44.9 140.6 133.2 14.6 64 66 A W H <5S+ 0 0 5 -4,-2.7 6,-2.8 1,-0.2 -1,-0.3 0.754 120.5 41.9 -76.1 -20.5 141.7 131.0 11.8 65 67 A S H <5S+ 0 0 8 -4,-1.1 64,-0.3 -5,-0.3 -2,-0.2 0.875 123.0 32.0 -85.1 -49.1 139.9 128.1 13.3 66 68 A D H <5S+ 0 0 84 -4,-3.4 -3,-0.2 -5,-0.2 -2,-0.2 0.723 133.8 21.3 -87.0 -21.2 136.7 129.5 14.5 67 69 A V T <5S+ 0 0 102 -4,-2.1 -3,-0.2 -5,-0.4 -4,-0.1 0.756 130.2 34.2-114.0 -52.9 136.1 132.3 12.0 68 70 A D S S- 0 0 49 1,-0.1 3,-1.1 2,-0.1 397,-0.1 -0.207 79.9-114.9 -46.9 142.9 165.0 128.8 24.4 83 85 A P T 3 S+ 0 0 94 0, 0.0 -1,-0.1 0, 0.0 365,-0.0 0.726 112.0 55.8 -63.5 -27.1 162.8 130.7 26.8 84 86 A R T 3 S+ 0 0 115 -31,-0.0 2,-0.6 2,-0.0 -2,-0.1 0.813 79.0 102.0 -77.5 -23.7 161.0 132.7 24.2 85 87 A D < + 0 0 28 -3,-1.1 4,-0.1 1,-0.2 -6,-0.1 -0.419 36.5 143.3 -62.6 110.4 159.9 129.6 22.3 86 88 A V > + 0 0 26 -2,-0.6 4,-2.1 2,-0.1 -1,-0.2 0.142 25.5 112.7-134.8 24.7 156.3 129.3 23.4 87 89 A T H > S+ 0 0 0 -9,-2.5 4,-3.2 1,-0.2 5,-0.2 0.936 79.5 48.1 -69.3 -45.9 154.5 128.1 20.4 88 90 A P H > S+ 0 0 0 0, 0.0 4,-3.4 0, 0.0 5,-0.2 0.932 108.0 54.8 -63.4 -41.5 153.6 124.8 21.8 89 91 A E H > S+ 0 0 34 1,-0.2 4,-1.2 2,-0.2 -2,-0.2 0.974 112.8 44.6 -58.8 -39.5 152.3 126.2 25.0 90 92 A A H >< S+ 0 0 0 -4,-2.1 3,-0.7 1,-0.2 4,-0.5 0.969 111.8 51.1 -72.0 -43.2 150.0 128.4 22.9 91 93 A T H >X S+ 0 0 0 -4,-3.2 3,-2.0 1,-0.2 4,-1.5 0.935 104.0 58.8 -56.0 -43.3 149.0 125.7 20.7 92 94 A K H 3< S+ 0 0 73 -4,-3.4 -1,-0.2 1,-0.3 -2,-0.2 0.791 100.4 57.5 -59.3 -30.7 148.1 123.4 23.6 93 95 A K T << S+ 0 0 121 -4,-1.2 -1,-0.3 -3,-0.7 -2,-0.2 0.508 110.6 41.7 -72.7 -7.3 145.6 125.9 25.0 94 96 A V T <4 S+ 0 0 1 -3,-2.0 -2,-0.2 -4,-0.5 -1,-0.2 0.620 92.4 89.5-116.6 -14.6 143.6 126.0 21.8 95 97 A I < - 0 0 27 -4,-1.5 32,-0.2 1,-0.1 3,-0.1 -0.423 48.8-167.8 -83.3 163.5 143.4 122.5 20.7 96 98 A E S S+ 0 0 113 30,-3.2 2,-0.4 1,-0.3 31,-0.2 0.635 74.7 31.6-117.9 -25.5 140.6 120.2 21.8 97 99 A R E S-E 126 0A 24 29,-1.5 29,-2.6 152,-0.0 -1,-0.3 -0.936 77.5-136.8-142.6 118.9 141.8 116.8 20.7 98 100 A E E -E 125 0A 100 -2,-0.4 27,-0.2 27,-0.2 3,-0.1 -0.305 6.9-159.6 -76.2 158.1 145.4 115.8 20.5 99 101 A T >> + 0 0 1 25,-0.9 3,-1.7 1,-0.1 4,-1.0 -0.550 19.7 166.3-132.8 70.5 146.9 113.9 17.7 100 102 A P H 3> + 0 0 49 0, 0.0 4,-2.8 0, 0.0 5,-0.1 0.671 67.8 72.4 -61.4 -21.6 150.1 112.4 19.1 101 103 A G H 3> S+ 0 0 0 179,-0.4 4,-2.9 177,-0.2 5,-0.2 0.926 96.1 50.6 -64.4 -37.4 150.5 110.1 16.2 102 104 A L H <> S+ 0 0 0 -3,-1.7 4,-2.6 176,-0.3 5,-0.2 0.951 112.2 47.8 -67.6 -40.5 151.5 113.0 14.0 103 105 A L H X S+ 0 0 46 -4,-1.0 4,-2.5 1,-0.2 5,-0.3 0.909 109.6 55.7 -65.7 -32.9 154.1 114.1 16.7 104 106 A F H X S+ 0 0 16 -4,-2.8 4,-2.6 -5,-0.2 -1,-0.2 0.979 109.5 42.5 -63.3 -47.6 155.2 110.7 16.9 105 107 A V H X S+ 0 0 5 -4,-2.9 4,-2.4 1,-0.2 5,-0.3 0.931 113.2 51.7 -68.1 -42.0 156.0 110.3 13.2 106 108 A X H X S+ 0 0 13 -4,-2.6 4,-2.2 -5,-0.2 5,-0.3 0.952 112.1 47.4 -57.3 -46.8 157.6 113.7 12.9 107 109 A X H X S+ 0 0 19 -4,-2.5 4,-1.7 -5,-0.2 -1,-0.2 0.875 111.4 50.5 -65.9 -34.8 159.8 113.0 15.8 108 110 A Q H X S+ 0 0 37 -4,-2.6 4,-0.9 -5,-0.3 3,-0.2 0.997 112.6 44.7 -66.1 -59.6 160.8 109.6 14.5 109 111 A E H >< S+ 0 0 69 -4,-2.4 3,-0.9 1,-0.2 4,-0.3 0.869 113.5 48.9 -55.1 -40.3 161.7 110.7 10.9 110 112 A S H >X S+ 0 0 34 -4,-2.2 3,-2.4 -5,-0.3 4,-2.2 0.907 101.9 62.9 -74.0 -33.0 163.7 113.8 12.0 111 113 A L H 3< S+ 0 0 28 -4,-1.7 -1,-0.3 1,-0.3 -2,-0.2 0.823 95.3 62.8 -55.6 -26.2 165.6 111.7 14.5 112 114 A K T << S+ 0 0 143 -3,-0.9 -1,-0.3 -4,-0.9 -2,-0.2 0.691 107.0 42.9 -75.4 -10.0 166.9 109.8 11.5 113 115 A I T <4 S- 0 0 104 -3,-2.4 -2,-0.2 1,-0.4 -1,-0.2 0.829 132.0 -15.9-100.5 -39.3 168.5 112.9 10.3 114 116 A T >< - 0 0 45 -4,-2.2 3,-1.5 1,-0.1 -1,-0.4 -0.940 49.1-125.5-165.8 149.5 169.9 114.2 13.5 115 117 A P G > S+ 0 0 52 0, 0.0 3,-2.1 0, 0.0 -4,-0.1 0.660 100.4 78.1 -65.0 -21.7 169.7 113.8 17.2 116 118 A F G > S+ 0 0 101 1,-0.3 3,-2.3 2,-0.2 4,-0.1 0.670 72.1 85.2 -69.3 -6.8 169.0 117.4 17.7 117 119 A A G X S+ 0 0 14 -3,-1.5 3,-2.3 1,-0.3 -1,-0.3 0.809 70.8 76.9 -59.3 -28.0 165.6 116.6 16.6 118 120 A X G < S+ 0 0 4 -3,-2.1 304,-0.3 1,-0.3 -1,-0.3 0.546 81.8 69.7 -64.0 -3.0 165.0 115.7 20.2 119 121 A L G < + 0 0 12 -3,-2.3 2,-0.3 302,-0.2 -1,-0.3 0.508 69.2 103.6-100.2 4.3 164.8 119.4 20.9 120 122 A S < - 0 0 30 -3,-2.3 301,-0.4 1,-0.1 -40,-0.2 -0.652 46.5-171.4 -74.9 138.8 161.4 120.1 19.1 121 123 A R + 0 0 0 -42,-2.3 -1,-0.1 -2,-0.3 297,-0.1 -0.148 28.1 165.8-114.1 33.2 158.6 120.5 21.7 122 124 A S - 0 0 11 -43,-0.1 2,-0.2 -19,-0.1 13,-0.0 -0.163 19.4-163.7 -55.0 143.9 156.1 120.6 19.0 123 125 A A + 0 0 5 12,-0.0 11,-2.4 2,-0.0 2,-0.3 -0.691 8.2 179.4-114.4 172.8 152.5 120.2 19.7 124 126 A A E + F 0 133A 4 -2,-0.2 -25,-0.9 9,-0.2 2,-0.3 -0.949 12.0 126.7-165.2 152.1 149.6 119.3 17.5 125 127 A G E -EF 98 132A 0 7,-2.4 7,-3.4 -2,-0.3 2,-0.4 -0.989 45.7 -75.8 172.5-178.3 145.9 118.8 17.5 126 128 A I E -EF 97 131A 9 -29,-2.6 -30,-3.2 -2,-0.3 -29,-1.5 -0.815 26.1-177.7-106.3 138.9 142.4 119.5 16.3 127 129 A R E > - 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0 0 93 -2,-2.1 4,-1.9 1,-0.1 3,-0.4 -0.991 61.8-139.3-135.5 130.3 129.5 110.2 23.7 214 56 B V H > S+ 0 0 42 -2,-0.4 4,-3.3 1,-0.2 5,-0.2 0.873 101.6 52.2 -57.6 -46.0 132.1 111.2 26.3 215 57 B E H > S+ 0 0 105 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.889 108.9 51.4 -56.2 -39.8 129.7 111.0 29.3 216 58 B R H > S+ 0 0 107 -3,-0.4 4,-1.4 1,-0.2 -1,-0.2 0.908 115.0 42.5 -66.4 -37.5 128.6 107.6 28.4 217 59 B I H X S+ 0 0 0 -4,-1.9 4,-2.2 1,-0.2 -2,-0.2 0.915 109.7 56.6 -74.8 -40.8 132.2 106.5 28.1 218 60 B K H X S+ 0 0 26 -4,-3.3 4,-2.6 1,-0.2 -1,-0.2 0.914 105.1 52.7 -56.9 -47.1 133.2 108.2 31.2 219 61 B D H X S+ 0 0 78 -4,-2.2 4,-3.9 1,-0.2 5,-0.3 0.921 108.1 47.5 -56.7 -50.1 130.6 106.4 33.3 220 62 B I H X S+ 0 0 34 -4,-1.4 4,-3.2 1,-0.2 5,-0.3 0.949 112.6 50.0 -62.6 -43.4 131.5 103.0 32.3 221 63 B L H X S+ 0 0 0 -4,-2.2 4,-1.6 1,-0.2 5,-0.3 0.931 114.6 44.8 -61.0 -37.9 135.2 103.6 32.9 222 64 B Q H X>S+ 0 0 67 -4,-2.6 4,-2.9 -5,-0.2 5,-0.5 0.979 115.2 47.9 -69.0 -50.6 134.4 105.0 36.3 223 65 B K H X>S+ 0 0 106 -4,-3.9 4,-2.2 1,-0.3 5,-1.7 0.924 112.9 46.6 -55.6 -46.5 132.0 102.2 37.1 224 66 B W H <5S+ 0 0 15 -4,-3.2 6,-2.9 -5,-0.3 -1,-0.3 0.773 119.7 39.3 -75.7 -26.3 134.3 99.5 36.1 225 67 B S H <5S+ 0 0 7 -4,-1.6 64,-0.2 -3,-0.5 -2,-0.2 0.894 126.3 30.9 -83.6 -52.7 137.3 100.9 37.9 226 68 B D H <5S+ 0 0 84 -4,-2.9 -3,-0.2 -5,-0.3 -2,-0.2 0.908 133.1 23.6 -77.6 -37.9 135.8 102.2 41.1 227 69 B V T < + 0 0 28 -2,-0.9 4,-2.6 2,-0.1 5,-0.3 0.251 25.9 115.3-121.1 22.1 135.9 111.2 21.5 247 89 B T H > S+ 0 0 0 -9,-1.8 4,-3.2 1,-0.3 5,-0.3 0.962 80.0 47.9 -56.6 -46.4 137.1 108.0 23.2 248 90 B P H > S+ 0 0 0 0, 0.0 4,-2.7 0, 0.0 -1,-0.3 0.909 107.8 53.1 -65.7 -36.7 140.4 109.5 24.2 249 91 B E H > S+ 0 0 35 2,-0.2 4,-1.5 1,-0.2 -2,-0.2 0.957 113.0 46.2 -62.5 -38.1 139.0 112.7 25.5 250 92 B A H < S+ 0 0 0 -4,-2.6 3,-0.5 1,-0.2 4,-0.3 0.972 112.6 49.8 -67.9 -44.3 136.7 110.6 27.7 251 93 B T H >X S+ 0 0 0 -4,-3.2 3,-1.7 -5,-0.3 4,-1.6 0.864 105.4 57.0 -59.4 -38.5 139.6 108.4 28.7 252 94 B K H 3< S+ 0 0 68 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.846 100.7 59.5 -68.0 -27.8 141.9 111.3 29.7 253 95 B K T 3< S+ 0 0 124 -4,-1.5 -1,-0.3 -3,-0.5 -2,-0.2 0.560 111.6 36.4 -72.2 -12.5 139.3 112.6 32.1 254 96 B V T <4 S+ 0 0 2 -3,-1.7 -2,-0.2 -4,-0.3 -1,-0.2 0.625 92.3 90.2-118.6 -18.1 139.3 109.5 34.2 255 97 B I < - 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0 0 25 38,-2.6 4,-2.6 -2,-0.5 5,-0.3 -0.658 51.4-146.2 177.3 108.9 171.6 147.5 30.8 493 15 D D H > S+ 0 0 47 1,-0.2 4,-1.4 2,-0.2 6,-0.3 0.865 104.3 52.0 -41.5 -45.9 168.4 146.6 28.9 494 16 D T H >>S+ 0 0 80 1,-0.2 5,-1.1 2,-0.2 6,-0.7 0.927 113.5 40.9 -66.8 -47.5 167.5 144.1 31.6 495 17 D V H >45S+ 0 0 25 1,-0.2 3,-1.1 4,-0.2 -1,-0.2 0.928 112.7 52.3 -69.7 -41.7 167.9 146.3 34.5 496 18 D S H 3<5S+ 0 0 47 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.782 108.7 52.9 -64.3 -21.4 166.3 149.4 32.9 497 19 D A H 3<5S- 0 0 83 -4,-1.4 -1,-0.2 -5,-0.3 -2,-0.2 0.587 113.3-117.7 -91.2 -9.4 163.2 147.3 32.0 498 20 D G T <<5S+ 0 0 64 -3,-1.1 -3,-0.2 -4,-0.6 -2,-0.1 0.388 80.9 124.0 86.1 -0.7 162.8 146.1 35.5 499 21 D A S S+ 0 0 161 -2,-0.7 4,-0.8 2,-0.1 -1,-0.2 0.606 75.5 52.3 -99.4 -14.2 174.2 143.9 41.2 504 26 D S H > S+ 0 0 13 1,-0.2 4,-2.2 2,-0.2 3,-0.3 0.906 97.5 62.5 -94.6 -40.4 176.9 146.0 39.8 505 27 D G H > S+ 0 0 8 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.900 103.7 49.3 -45.3 -56.8 175.7 149.3 40.7 506 28 D P H > S+ 0 0 72 0, 0.0 4,-1.9 0, 0.0 -1,-0.2 0.834 109.4 50.6 -64.0 -29.3 175.8 148.6 44.5 507 29 D R H X S+ 0 0 109 -4,-0.8 4,-2.5 -3,-0.3 5,-0.2 0.897 110.2 48.9 -71.7 -41.9 179.3 147.3 44.5 508 30 D A H X S+ 0 0 0 -4,-2.2 4,-2.8 2,-0.2 5,-0.2 0.947 109.1 54.5 -61.6 -45.9 180.7 150.3 42.6 509 31 D V H X S+ 0 0 43 -4,-2.4 4,-2.4 -5,-0.3 5,-0.2 0.978 112.9 42.4 -52.0 -46.9 179.0 152.6 44.9 510 32 D S H X S+ 0 0 67 -4,-1.9 4,-3.0 1,-0.2 -1,-0.2 0.865 109.6 55.0 -76.1 -28.1 180.6 150.9 47.8 511 33 D V H X S+ 0 0 22 -4,-2.5 4,-0.7 2,-0.2 -1,-0.2 0.942 110.1 48.6 -64.1 -45.0 184.0 150.6 46.2 512 34 D V H >X S+ 0 0 0 -4,-2.8 3,-3.3 -5,-0.2 4,-0.7 0.989 113.5 46.5 -55.7 -62.5 184.0 154.3 45.6 513 35 D D H >< S+ 0 0 77 -4,-2.4 3,-2.1 1,-0.3 4,-0.3 0.919 110.3 52.5 -41.2 -58.9 182.9 155.0 49.2 514 36 D S H 3< S+ 0 0 102 -4,-3.0 -1,-0.3 1,-0.3 4,-0.2 0.633 114.1 45.1 -60.0 -6.6 185.5 152.6 50.5 515 37 D S H S+ 0 0 37 -3,-2.1 5,-4.7 -4,-0.7 -2,-0.1 0.793 77.9 49.8 -41.4 -47.3 187.1 158.1 49.4 517 39 D E T >45S+ 0 0 184 -4,-0.3 3,-3.8 1,-0.2 4,-0.4 1.000 113.6 43.3 -60.4 -66.7 190.2 158.8 51.5 518 40 D K T 345S+ 0 0 157 1,-0.3 -1,-0.2 -4,-0.2 -2,-0.2 0.747 111.9 58.7 -53.2 -22.6 192.6 157.6 48.9 519 41 D L T 3<5S- 0 0 1 -4,-2.0 -1,-0.3 -7,-0.2 -2,-0.2 0.382 126.2 -98.5 -87.1 3.1 190.5 159.5 46.3 520 42 D G T < 5S- 0 0 26 -3,-3.8 -3,-0.2 -5,-0.2 -2,-0.2 0.760 82.7 -48.5 86.7 22.7 190.9 162.7 48.0 521 43 D G S - 0 0 92 -2,-1.9 4,-2.5 1,-0.1 5,-0.2 -0.971 62.6-137.3-152.7 124.7 170.9 152.6 23.5 534 56 D V H > S+ 0 0 40 -2,-0.3 4,-4.4 1,-0.2 5,-0.2 0.847 101.3 53.0 -59.1 -40.8 173.4 155.4 22.6 535 57 D E H > S+ 0 0 96 2,-0.2 4,-2.9 1,-0.2 -1,-0.2 0.959 110.0 48.9 -61.7 -43.7 171.1 158.3 22.8 536 58 D R H > S+ 0 0 106 1,-0.2 4,-1.6 2,-0.2 5,-0.2 0.954 115.5 45.5 -64.2 -37.9 170.0 157.4 26.2 537 59 D I H X S+ 0 0 0 -4,-2.5 4,-2.1 1,-0.2 -2,-0.2 0.956 110.6 51.4 -72.3 -44.2 173.6 157.1 27.2 538 60 D K H X S+ 0 0 30 -4,-4.4 4,-3.0 1,-0.2 -1,-0.2 0.963 106.9 55.2 -52.8 -51.4 174.7 160.3 25.6 539 61 D D H X S+ 0 0 76 -4,-2.9 4,-3.6 1,-0.3 5,-0.2 0.874 109.5 43.8 -54.5 -46.1 171.9 162.3 27.3 540 62 D I H X S+ 0 0 34 -4,-1.6 4,-3.0 1,-0.2 5,-0.3 0.954 114.5 51.1 -63.5 -48.8 172.8 161.3 30.9 541 63 D L H X S+ 0 0 0 -4,-2.1 4,-0.9 -5,-0.2 5,-0.2 0.921 115.0 43.9 -54.2 -42.7 176.5 161.8 30.1 542 64 D Q H >X S+ 0 0 67 -4,-3.0 4,-3.4 -5,-0.2 3,-1.4 0.992 115.4 47.3 -65.5 -53.4 175.6 165.2 28.7 543 65 D K H 3X>S+ 0 0 106 -4,-3.6 5,-2.1 1,-0.3 4,-1.8 0.925 112.3 47.2 -59.6 -49.4 173.3 166.2 31.5 544 66 D W H 3<5S+ 0 0 17 -4,-3.0 6,-2.6 -5,-0.2 -1,-0.3 0.633 119.5 39.8 -75.6 -8.8 175.5 165.1 34.3 545 67 D S H <<5S+ 0 0 8 -3,-1.4 64,-0.3 -4,-0.9 -2,-0.2 0.753 125.7 30.9 -98.6 -43.3 178.5 166.9 32.9 546 68 D D H <5S+ 0 0 83 -4,-3.4 -3,-0.2 -5,-0.2 -2,-0.2 0.921 135.0 21.6 -86.7 -38.1 177.0 170.1 31.6 547 69 D V T <5S+ 0 0 106 -4,-1.8 -3,-0.2 -5,-0.5 -4,-0.1 0.905 132.2 32.6 -96.5 -59.4 174.2 170.7 34.0 548 70 D D S S- 0 0 54 1,-0.1 3,-1.2 2,-0.1 397,-0.1 -0.139 78.9-114.5 -46.2 147.9 177.8 141.7 21.8 563 85 D P T 3 S+ 0 0 96 0, 0.0 -1,-0.1 0, 0.0 365,-0.0 0.779 112.9 55.9 -63.1 -27.7 175.8 143.9 19.3 564 86 D R T 3 S+ 0 0 117 2,-0.0 2,-0.9 -31,-0.0 -2,-0.1 0.662 80.0 101.0 -80.8 -9.6 173.9 145.7 22.0 565 87 D D < + 0 0 28 -3,-1.2 4,-0.1 1,-0.2 -6,-0.1 -0.582 35.6 141.2 -76.0 107.0 177.0 146.9 23.8 566 88 D V > + 0 0 28 -2,-0.9 4,-2.5 2,-0.1 5,-0.2 0.145 26.5 112.4-134.6 18.7 177.3 150.5 22.6 567 89 D T H > S+ 0 0 0 -9,-2.2 4,-3.1 1,-0.2 5,-0.2 0.909 80.2 47.8 -65.3 -44.8 178.4 152.3 25.7 568 90 D P H > S+ 0 0 0 0, 0.0 4,-2.7 0, 0.0 -1,-0.2 0.925 109.0 54.5 -65.0 -39.1 181.9 153.2 24.3 569 91 D E H > S+ 0 0 31 1,-0.2 4,-1.3 2,-0.2 -2,-0.2 0.982 112.0 45.6 -55.4 -44.2 180.4 154.4 21.1 570 92 D A H >X S+ 0 0 0 -4,-2.5 4,-0.6 1,-0.3 3,-0.6 0.950 112.4 49.8 -68.8 -41.7 178.2 156.7 23.3 571 93 D T H >X S+ 0 0 0 -4,-3.1 3,-1.9 1,-0.2 4,-1.8 0.921 104.1 57.2 -61.5 -40.6 181.0 157.8 25.4 572 94 D K H 3< S+ 0 0 73 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.818 101.2 59.9 -64.1 -26.8 183.3 158.7 22.5 573 95 D K H << S+ 0 0 129 -4,-1.3 -1,-0.3 -3,-0.6 -2,-0.2 0.668 112.1 36.4 -72.1 -15.5 180.7 161.1 21.2 574 96 D V H << S+ 0 0 2 -3,-1.9 -2,-0.2 -4,-0.6 -1,-0.2 0.616 92.7 91.9-118.3 -14.0 180.6 163.2 24.3 575 97 D I < - 0 0 26 -4,-1.8 32,-0.2 1,-0.1 3,-0.1 -0.496 49.7-165.5 -80.0 161.2 184.1 163.4 25.5 576 98 D E S S+ 0 0 111 30,-3.2 2,-0.5 1,-0.3 31,-0.2 0.709 73.0 33.5-111.8 -32.3 186.4 166.2 24.5 577 99 D R E S-Z 606 0E 28 29,-2.3 29,-2.3 144,-0.0 -1,-0.3 -0.969 78.7-129.0-133.9 132.8 189.8 165.1 25.5 578 100 D E E -Z 605 0E 98 -2,-0.5 27,-0.2 27,-0.2 3,-0.1 -0.433 11.5-165.8 -86.6 153.8 191.0 161.5 25.6 579 101 D T >> + 0 0 1 25,-1.3 3,-2.0 -2,-0.1 4,-1.1 -0.369 20.2 161.3-124.5 65.4 192.7 159.8 28.5 580 102 D P H 3> + 0 0 47 0, 0.0 4,-2.9 0, 0.0 5,-0.2 0.684 68.0 73.8 -60.8 -20.6 194.2 156.7 26.9 581 103 D G H 3> S+ 0 0 0 179,-0.4 4,-1.7 1,-0.2 5,-0.2 0.912 95.0 47.6 -61.9 -43.2 196.4 156.4 29.9 582 104 D L H <> S+ 0 0 0 -3,-2.0 4,-2.4 1,-0.2 -1,-0.2 0.911 111.8 52.8 -68.0 -33.3 193.6 155.2 32.1 583 105 D L H X S+ 0 0 45 -4,-1.1 4,-2.5 1,-0.2 5,-0.3 0.941 106.1 52.7 -67.2 -39.5 192.6 152.7 29.4 584 106 D F H X S+ 0 0 15 -4,-2.9 4,-1.9 1,-0.2 -1,-0.2 0.906 110.5 46.1 -63.3 -38.5 196.1 151.4 29.2 585 107 D V H X S+ 0 0 6 -4,-1.7 4,-2.1 2,-0.2 5,-0.3 0.902 111.6 51.7 -74.7 -37.5 196.3 150.7 32.9 586 108 D X H X S+ 0 0 12 -4,-2.4 4,-2.3 1,-0.2 5,-0.3 0.956 112.8 45.7 -61.7 -40.0 192.8 149.1 33.1 587 109 D X H X S+ 0 0 19 -4,-2.5 4,-1.8 1,-0.2 -1,-0.2 0.873 112.1 51.7 -74.3 -32.6 193.7 146.8 30.3 588 110 D Q H X S+ 0 0 32 -4,-1.9 4,-0.6 -5,-0.3 -1,-0.2 0.969 112.7 42.1 -68.6 -49.2 197.1 145.9 31.7 589 111 D E H >< S+ 0 0 69 -4,-2.1 3,-1.6 1,-0.2 4,-0.3 0.946 114.2 49.8 -67.1 -41.5 196.0 145.0 35.2 590 112 D S H >X S+ 0 0 32 -4,-2.3 3,-2.4 1,-0.3 4,-1.9 0.886 101.3 63.7 -71.4 -28.5 192.9 143.1 34.2 591 113 D L H 3< S+ 0 0 30 -4,-1.8 -1,-0.3 1,-0.3 -2,-0.2 0.740 93.9 64.2 -61.0 -20.5 194.8 141.1 31.7 592 114 D K T << S+ 0 0 138 -3,-1.6 -1,-0.3 -4,-0.6 -2,-0.2 0.663 105.3 43.7 -79.2 -10.0 196.8 139.7 34.6 593 115 D I T <4 S- 0 0 102 -3,-2.4 -2,-0.2 1,-0.4 -1,-0.2 0.865 131.5 -14.9 -99.3 -41.8 193.7 138.1 35.9 594 116 D T >< - 0 0 47 -4,-1.9 3,-1.0 1,-0.1 -1,-0.4 -0.981 49.9-126.3-159.4 152.3 192.4 136.7 32.7 595 117 D P G > S+ 0 0 52 0, 0.0 3,-2.7 0, 0.0 4,-0.1 0.734 100.2 78.8 -66.6 -25.7 192.8 137.0 28.9 596 118 D F G > S+ 0 0 99 1,-0.3 3,-2.1 2,-0.2 4,-0.1 0.673 72.6 84.6 -64.3 -5.6 189.1 137.6 28.4 597 119 D A G X S+ 0 0 13 -3,-1.0 3,-1.7 1,-0.3 -1,-0.3 0.746 70.7 75.4 -66.0 -20.1 190.0 141.1 29.5 598 120 D X G < S+ 0 0 4 -3,-2.7 -1,-0.3 1,-0.3 304,-0.2 0.592 82.7 70.1 -69.3 -7.5 190.9 141.8 25.9 599 121 D L G < + 0 0 10 -3,-2.1 2,-0.3 302,-0.1 -1,-0.3 0.410 68.9 105.0 -92.3 0.7 187.2 141.9 25.2 600 122 D S < - 0 0 26 -3,-1.7 301,-0.4 -4,-0.1 -40,-0.2 -0.680 47.1-171.8 -72.6 134.9 186.6 145.2 27.0 601 123 D R + 0 0 1 -42,-2.3 -1,-0.1 -2,-0.3 297,-0.1 -0.188 28.7 166.5-109.5 33.0 186.1 148.0 24.4 602 124 D S - 0 0 11 -19,-0.1 2,-0.2 -43,-0.1 -43,-0.1 -0.218 18.2-165.6 -58.1 142.3 186.1 150.6 27.2 603 125 D A + 0 0 4 12,-0.1 11,-2.3 2,-0.0 2,-0.3 -0.646 9.6 171.7-113.5 176.5 186.5 154.2 26.4 604 126 D A E + A 0 613E 5 9,-0.2 -25,-1.3 -2,-0.2 2,-0.3 -0.956 11.7 119.9-175.8 158.7 187.2 157.3 28.7 605 127 D G E -ZA 578 612E 0 7,-2.7 7,-3.1 -2,-0.3 2,-0.4 -0.986 48.9 -63.7 159.8-171.0 188.0 160.9 28.7 606 128 D I E -ZA 577 611E 8 -29,-2.3 -30,-3.2 -2,-0.3 -29,-2.3 -0.835 24.9-174.5-123.0 140.8 187.1 164.3 29.7 607 129 D R E > S- A 0 610E 34 3,-2.4 3,-3.4 -2,-0.4 2,-0.1 -0.996 72.0 -42.8-133.6 134.5 184.2 166.5 29.0 608 130 D G T 3 S- 0 0 44 -2,-0.4 -62,-0.1 1,-0.3 -2,-0.0 -0.231 126.0 -30.9 36.1-102.0 184.2 170.1 30.4 609 131 D S T 3 S+ 0 0 97 -64,-0.3 2,-0.5 -2,-0.1 -1,-0.3 0.305 115.5 104.4-124.7 24.0 185.5 169.2 33.9 610 132 D T E < - 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