==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=4-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER PROTEIN TRANSPORT 28-MAY-01 1IQ1 . COMPND 2 MOLECULE: IMPORTIN ALPHA-2 SUBUNIT; . SOURCE 2 SYNTHETIC: YES; . AUTHOR B.CATIMEL,T.TEH,M.R.M.FONTES,I.G.JENNINGS,B.KOBE . 442 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 18594.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 346 78.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 0 0.0 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 . 14 3.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 76 17.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 245 55.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 9 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 1 0 3 1 3 6 3 0 0 1 4 3 0 2 0 1 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 0 0 PARALLEL BRIDGES PER LADDER . 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 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 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 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 47 A M 0 0 140 0, 0.0 310,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 105.2 46.3 51.0 39.8 2 48 A L + 0 0 73 309,-0.2 2,-0.9 2,-0.1 310,-0.1 0.749 360.0 96.3 -65.7 -23.4 42.7 51.4 38.6 3 49 A K - 0 0 31 308,-0.2 2,-0.6 266,-0.1 305,-0.1 -0.581 64.3-165.6 -70.7 104.3 42.1 53.6 41.7 4 50 A R - 0 0 47 -2,-0.9 2,-1.8 303,-0.1 -2,-0.1 -0.857 18.3-146.5-103.1 123.3 42.6 57.1 40.4 5 51 A R + 0 0 73 -2,-0.6 -2,-0.0 1,-0.2 261,-0.0 -0.519 23.0 171.8 -83.1 70.7 43.1 60.0 42.9 6 52 A N 0 0 76 -2,-1.8 -1,-0.2 1,-0.3 298,-0.0 0.562 360.0 360.0 -56.3 -0.4 41.3 62.7 40.8 7 53 A V 0 0 86 -3,-0.1 -1,-0.3 221,-0.1 221,-0.0 -0.265 360.0 360.0 46.0 360.0 42.0 64.2 44.2 8 !* 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 9 45 B E 0 0 71 0, 0.0 3,-0.1 0, 0.0 249,-0.0 0.000 360.0 360.0 360.0 141.0 35.6 73.6 51.1 10 46 B N - 0 0 72 1,-0.1 2,-0.0 206,-0.1 0, 0.0 -0.284 360.0-105.1 -46.9 132.1 35.2 75.9 54.1 11 47 B M - 0 0 134 2,-0.1 -1,-0.1 1,-0.1 127,-0.0 -0.279 17.7-106.0 -78.9 157.7 37.9 78.4 53.1 12 48 B L S S+ 0 0 47 -3,-0.1 2,-0.2 126,-0.1 126,-0.1 0.839 93.5 28.1 -32.9 -70.3 41.4 79.0 54.5 13 49 B K - 0 0 35 83,-0.2 2,-0.4 125,-0.1 -2,-0.1 -0.673 60.0-157.4-109.4 159.3 41.0 82.2 56.5 14 50 B R - 0 0 75 -2,-0.2 2,-0.5 117,-0.2 121,-0.1 -0.995 10.5-143.5-134.6 137.8 38.2 84.0 58.4 15 51 B R - 0 0 76 -2,-0.4 2,-0.7 81,-0.1 78,-0.1 -0.879 19.1-130.5-103.7 128.2 37.8 87.6 59.3 16 52 B N 0 0 25 -2,-0.5 77,-0.1 73,-0.2 80,-0.0 -0.681 360.0 360.0 -77.4 113.0 36.2 88.4 62.7 17 53 B V 0 0 96 -2,-0.7 -1,-0.2 37,-0.0 37,-0.1 0.754 360.0 360.0-111.4 360.0 33.5 91.0 61.8 18 !* 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 19 72 C G 0 0 98 0, 0.0 27,-0.1 0, 0.0 3,-0.0 0.000 360.0 360.0 360.0 -11.4 34.9 107.5 70.5 20 73 C T + 0 0 11 25,-0.1 2,-0.5 26,-0.1 29,-0.2 -0.067 360.0 111.5-136.5 27.3 36.7 104.6 68.8 21 74 C V S S- 0 0 101 1,-0.1 25,-0.1 28,-0.1 26,-0.1 -0.922 84.1 -5.8-112.2 126.0 34.6 104.6 65.6 22 75 C N S S+ 0 0 138 -2,-0.5 -1,-0.1 24,-0.2 25,-0.0 0.621 82.2 172.0 73.2 14.2 35.8 105.6 62.2 23 76 C W - 0 0 64 1,-0.1 2,-0.3 23,-0.1 -1,-0.1 -0.047 33.4-113.5 -52.2 157.9 39.3 106.8 63.4 24 77 C S >> - 0 0 41 1,-0.1 4,-2.4 26,-0.0 3,-0.5 -0.657 23.5-115.0 -93.3 153.2 41.9 107.7 60.8 25 78 C V H 3> S+ 0 0 40 -2,-0.3 4,-2.1 1,-0.3 5,-0.1 0.899 117.0 52.1 -53.3 -42.7 45.0 105.6 60.5 26 79 C E H 3> S+ 0 0 147 1,-0.2 4,-2.9 2,-0.2 -1,-0.3 0.836 108.1 50.7 -65.6 -32.9 47.2 108.5 61.6 27 80 C D H <> S+ 0 0 80 -3,-0.5 4,-2.3 2,-0.2 5,-0.3 0.926 108.8 51.4 -68.3 -44.3 45.1 109.1 64.7 28 81 C I H X S+ 0 0 0 -4,-2.4 4,-2.2 1,-0.2 -2,-0.2 0.885 114.1 45.5 -57.4 -38.7 45.4 105.4 65.5 29 82 C V H X S+ 0 0 34 -4,-2.1 4,-2.1 -5,-0.2 -2,-0.2 0.939 107.2 57.5 -69.2 -48.4 49.1 105.8 65.1 30 83 C K H X S+ 0 0 160 -4,-2.9 4,-0.5 1,-0.2 -2,-0.2 0.872 115.6 36.4 -49.3 -45.2 49.2 109.0 67.2 31 84 C G H >< S+ 0 0 13 -4,-2.3 3,-0.7 2,-0.2 5,-0.3 0.880 111.0 56.3 -79.8 -42.6 47.6 107.3 70.1 32 85 C I H 3< S+ 0 0 2 -4,-2.2 -2,-0.2 -5,-0.3 -1,-0.2 0.823 111.2 49.3 -60.1 -26.9 49.3 103.9 69.9 33 86 C N H 3< S+ 0 0 85 -4,-2.1 -1,-0.3 -5,-0.2 -2,-0.2 0.700 89.1 100.3 -85.7 -19.7 52.5 105.8 70.0 34 87 C S S << S- 0 0 38 -3,-0.7 6,-0.1 -4,-0.5 -3,-0.0 -0.159 84.0-118.2 -60.6 161.8 51.7 108.0 73.0 35 88 C N S S+ 0 0 175 1,-0.0 2,-0.7 4,-0.0 -1,-0.1 0.171 84.9 106.7 -87.7 19.9 53.1 106.9 76.4 36 89 C N > - 0 0 81 -5,-0.3 4,-2.7 1,-0.2 5,-0.2 -0.864 56.6-161.1-108.1 106.1 49.6 106.4 77.7 37 90 C L H > S+ 0 0 61 -2,-0.7 4,-2.8 1,-0.3 -1,-0.2 0.904 95.9 47.7 -45.3 -54.6 48.4 102.8 78.1 38 91 C E H > S+ 0 0 100 1,-0.2 4,-2.6 2,-0.2 -1,-0.3 0.893 110.2 52.0 -56.6 -43.3 44.8 103.8 78.1 39 92 C S H > S+ 0 0 45 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.904 110.9 49.1 -60.1 -41.1 45.3 106.0 75.0 40 93 C Q H X S+ 0 0 32 -4,-2.7 4,-3.8 2,-0.2 5,-0.3 0.922 108.5 52.8 -63.5 -45.4 46.9 103.0 73.3 41 94 C L H X S+ 0 0 21 -4,-2.8 4,-2.7 -5,-0.2 5,-0.2 0.954 110.7 46.8 -54.9 -51.3 44.0 100.8 74.3 42 95 C Q H X S+ 0 0 87 -4,-2.6 4,-2.1 1,-0.2 -1,-0.2 0.925 115.8 46.4 -56.8 -46.4 41.5 103.3 72.8 43 96 C A H X S+ 0 0 0 -4,-2.6 4,-2.0 2,-0.2 -2,-0.2 0.889 111.1 51.1 -64.7 -41.0 43.7 103.5 69.7 44 97 C T H X S+ 0 0 0 -4,-3.8 4,-2.2 1,-0.2 -1,-0.2 0.900 110.4 49.6 -65.5 -38.1 44.1 99.8 69.4 45 98 C Q H X S+ 0 0 51 -4,-2.7 4,-2.4 -5,-0.3 -1,-0.2 0.895 107.4 53.9 -66.8 -38.8 40.4 99.3 69.7 46 99 C A H X S+ 0 0 2 -4,-2.1 4,-2.0 -5,-0.2 -1,-0.2 0.907 108.1 51.5 -60.3 -39.8 39.8 101.9 67.0 47 100 C A H X S+ 0 0 0 -4,-2.0 4,-2.4 1,-0.2 -2,-0.2 0.929 106.7 54.2 -61.3 -45.8 42.2 99.9 64.8 48 101 C R H X S+ 0 0 36 -4,-2.2 4,-1.9 1,-0.2 -2,-0.2 0.939 106.9 50.2 -54.6 -49.3 40.1 96.8 65.5 49 102 C K H < S+ 0 0 61 -4,-2.4 -1,-0.2 2,-0.2 -2,-0.2 0.889 108.4 51.8 -60.2 -39.6 37.0 98.4 64.3 50 103 C L H >< S+ 0 0 13 -4,-2.0 3,-1.2 1,-0.2 -1,-0.2 0.935 114.1 44.8 -59.6 -45.6 38.5 99.6 61.1 51 104 C L H 3< S+ 0 0 0 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.735 111.5 53.1 -70.3 -24.7 39.7 96.0 60.5 52 105 C S T 3< S+ 0 0 14 -4,-1.9 2,-0.3 -5,-0.2 -1,-0.3 0.164 83.9 125.6 -96.8 17.0 36.3 94.6 61.5 53 106 C R S < S- 0 0 104 -3,-1.2 -3,-0.0 -5,-0.1 -4,-0.0 -0.623 73.1-111.6 -86.4 138.2 34.4 96.8 59.1 54 107 C E S S+ 0 0 131 -2,-0.3 2,-0.4 1,-0.1 -1,-0.1 0.721 93.2 20.1 -25.7 -57.0 32.0 95.3 56.5 55 108 C K S S+ 0 0 136 1,-0.2 -1,-0.1 0, 0.0 -2,-0.0 -0.983 118.0 0.3-137.9 141.2 34.1 96.2 53.4 56 109 C Q - 0 0 160 -2,-0.4 -1,-0.2 1,-0.2 -2,-0.1 0.930 64.8-155.8 61.1 54.7 37.6 97.0 52.5 57 110 C P - 0 0 24 0, 0.0 2,-3.8 0, 0.0 3,-0.3 -0.436 25.5-117.9 -61.6 124.1 39.4 96.9 55.8 58 111 C P > + 0 0 13 0, 0.0 4,-2.4 0, 0.0 5,-0.2 -0.167 59.7 149.2 -60.4 53.2 42.5 99.1 55.5 59 112 C I H > S+ 0 0 12 -2,-3.8 4,-2.7 1,-0.2 5,-0.2 0.940 70.3 46.6 -56.3 -51.6 44.8 96.2 56.1 60 113 C D H > S+ 0 0 79 -3,-0.3 4,-3.0 1,-0.2 -1,-0.2 0.882 111.7 52.4 -62.0 -35.3 47.7 97.5 54.0 61 114 C N H > S+ 0 0 73 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.929 111.3 45.5 -64.6 -45.5 47.3 101.0 55.5 62 115 C I H <>S+ 0 0 0 -4,-2.4 5,-1.5 2,-0.2 6,-0.2 0.903 113.9 50.6 -64.1 -41.1 47.6 99.6 59.0 63 116 C I H ><5S+ 0 0 40 -4,-2.7 3,-2.4 -5,-0.2 5,-0.3 0.967 108.8 50.1 -62.7 -50.5 50.5 97.5 58.0 64 117 C R H 3<5S+ 0 0 173 -4,-3.0 -1,-0.2 1,-0.3 -2,-0.2 0.865 99.6 65.1 -54.8 -39.9 52.4 100.3 56.4 65 118 C A T 3<5S- 0 0 39 -4,-2.0 -1,-0.3 -5,-0.2 -2,-0.2 0.527 114.5-120.2 -61.6 -3.4 51.9 102.5 59.5 66 119 C G T <>5 + 0 0 34 -3,-2.4 4,-0.5 -4,-0.1 -3,-0.2 0.808 68.3 140.1 67.1 32.3 54.1 99.8 61.1 67 120 C L H >< + 0 0 1 -5,-1.5 4,-2.8 -4,-0.2 3,-0.2 0.749 46.6 78.3 -79.5 -25.0 51.5 98.9 63.6 68 121 C I H > S+ 0 0 8 -5,-0.3 4,-3.4 -6,-0.2 5,-0.3 0.920 92.4 50.9 -51.6 -51.8 51.9 95.1 63.7 69 122 C P H > S+ 0 0 78 0, 0.0 4,-2.2 0, 0.0 -1,-0.2 0.902 112.7 48.6 -54.0 -40.5 55.0 95.1 66.0 70 123 C K H X S+ 0 0 75 -4,-0.5 4,-1.3 -3,-0.2 -2,-0.2 0.935 113.0 46.4 -65.0 -47.9 53.1 97.3 68.4 71 124 C F H >X S+ 0 0 0 -4,-2.8 4,-1.3 2,-0.2 3,-1.0 0.954 110.4 52.5 -59.4 -51.1 50.1 95.1 68.3 72 125 C V H >X S+ 0 0 17 -4,-3.4 3,-0.8 1,-0.3 4,-0.7 0.914 108.2 52.1 -52.1 -44.8 52.1 92.0 68.8 73 126 C S H 3< S+ 0 0 67 -4,-2.2 3,-0.5 -5,-0.3 -1,-0.3 0.779 102.7 58.8 -65.1 -25.8 53.8 93.6 71.8 74 127 C F H X< S+ 0 0 7 -4,-1.3 3,-2.3 -3,-1.0 -1,-0.2 0.807 90.2 71.7 -72.8 -27.8 50.4 94.3 73.3 75 128 C L H << S+ 0 0 2 -4,-1.3 -1,-0.2 -3,-0.8 -2,-0.2 0.879 96.9 52.0 -53.1 -37.7 49.5 90.6 73.3 76 129 C G T 3< S+ 0 0 56 -4,-0.7 2,-2.1 -3,-0.5 -1,-0.3 0.386 76.2 107.6 -82.5 4.2 52.0 90.2 76.1 77 130 C K X + 0 0 69 -3,-2.3 3,-2.5 1,-0.2 7,-0.3 -0.459 41.0 170.3 -84.0 70.4 50.5 93.0 78.3 78 131 C T G > S+ 0 0 109 -2,-2.1 3,-0.7 1,-0.3 -1,-0.2 0.847 71.2 61.5 -43.5 -48.9 49.0 90.5 80.8 79 132 C D G 3 S+ 0 0 133 1,-0.3 -1,-0.3 -3,-0.2 2,-0.2 0.687 107.0 46.3 -57.0 -21.4 48.1 93.3 83.2 80 133 C C G X> + 0 0 10 -3,-2.5 4,-1.7 1,-0.2 3,-1.2 -0.519 63.8 171.0-124.0 65.9 45.8 94.9 80.6 81 134 C S H <> S+ 0 0 22 -3,-0.7 4,-2.7 1,-0.3 5,-0.2 0.850 75.1 65.1 -43.3 -40.1 43.8 92.0 79.2 82 135 C P H 3> S+ 0 0 65 0, 0.0 4,-2.4 0, 0.0 -1,-0.3 0.919 104.1 42.1 -53.5 -47.5 41.6 94.5 77.3 83 136 C I H <> S+ 0 0 0 -3,-1.2 4,-2.8 1,-0.2 5,-0.3 0.847 111.1 58.8 -68.7 -29.2 44.4 95.7 75.1 84 137 C Q H X S+ 0 0 10 -4,-1.7 4,-2.1 -7,-0.3 -1,-0.2 0.953 109.0 44.4 -59.5 -51.1 45.5 92.1 74.7 85 138 C F H X S+ 0 0 35 -4,-2.7 4,-3.2 2,-0.2 5,-0.3 0.964 114.0 48.0 -58.3 -58.3 42.1 91.2 73.3 86 139 C E H X S+ 0 0 14 -4,-2.4 4,-2.9 1,-0.2 -2,-0.2 0.920 114.7 44.8 -51.2 -51.9 41.8 94.2 71.0 87 140 C S H X S+ 0 0 0 -4,-2.8 4,-3.2 2,-0.2 5,-0.2 0.864 112.9 53.7 -62.6 -34.7 45.3 93.7 69.5 88 141 C A H X S+ 0 0 0 -4,-2.1 4,-3.4 -5,-0.3 -2,-0.2 0.986 110.3 45.1 -61.2 -58.0 44.5 90.0 69.2 89 142 C W H X S+ 0 0 36 -4,-3.2 4,-2.0 1,-0.2 -73,-0.2 0.906 114.6 50.5 -51.2 -46.1 41.3 90.7 67.3 90 143 C A H X S+ 0 0 0 -4,-2.9 4,-1.7 -5,-0.3 3,-0.3 0.971 112.3 44.1 -59.6 -56.2 43.2 93.2 65.2 91 144 C L H >X S+ 0 0 0 -4,-3.2 4,-2.9 1,-0.2 3,-0.5 0.937 109.1 60.5 -54.3 -45.3 46.1 90.9 64.3 92 145 C T H 3X S+ 0 0 0 -4,-3.4 4,-0.8 1,-0.3 -1,-0.2 0.899 106.5 44.9 -47.6 -49.6 43.5 88.2 63.7 93 146 C N H 3< S+ 0 0 0 -4,-2.0 -1,-0.3 -3,-0.3 -2,-0.2 0.793 111.1 52.5 -69.0 -29.2 41.9 90.2 60.9 94 147 C I H X< S+ 0 0 0 -4,-1.7 3,-1.8 -3,-0.5 -2,-0.2 0.934 109.8 48.8 -71.3 -43.9 45.2 91.2 59.3 95 148 C A H 3< S+ 0 0 0 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.703 98.2 71.8 -66.1 -18.5 46.2 87.5 59.2 96 149 C S T 3< S+ 0 0 20 -4,-0.8 -1,-0.3 -5,-0.3 -2,-0.2 0.577 93.6 71.7 -74.2 -7.8 42.8 86.8 57.7 97 150 C G S < S- 0 0 22 -3,-1.8 -84,-0.1 1,-0.2 -2,-0.1 0.528 96.6 -31.3 -82.0-135.5 44.1 88.5 54.5 98 151 C T > - 0 0 68 -4,-0.1 4,-3.2 1,-0.1 5,-0.2 -0.236 58.1-106.4 -80.1 172.4 46.5 87.6 51.8 99 152 C S H > S+ 0 0 74 2,-0.2 4,-2.9 1,-0.2 5,-0.2 0.920 124.2 57.1 -63.5 -42.8 49.7 85.5 52.2 100 153 C E H > S+ 0 0 144 1,-0.2 4,-1.0 2,-0.2 -1,-0.2 0.939 113.5 38.1 -49.7 -53.5 51.5 88.7 51.8 101 154 C Q H >> S+ 0 0 17 2,-0.2 4,-1.4 1,-0.2 3,-0.7 0.925 112.8 53.6 -67.6 -50.2 49.6 90.2 54.8 102 155 C T H 3X S+ 0 0 0 -4,-3.2 4,-2.3 1,-0.3 3,-0.3 0.905 104.9 58.5 -52.7 -41.5 49.5 87.0 56.9 103 156 C K H 3X S+ 0 0 95 -4,-2.9 4,-3.5 1,-0.2 -1,-0.3 0.883 99.1 58.7 -55.3 -40.0 53.3 86.9 56.5 104 157 C A H <>S+ 0 0 0 -4,-1.4 5,-1.6 -3,-0.3 3,-0.7 0.929 114.6 46.2 -63.3 -46.9 51.8 89.1 61.2 106 159 C V H ><5S+ 0 0 18 -4,-2.3 3,-2.1 1,-0.2 5,-0.3 0.927 108.5 55.8 -62.3 -44.6 54.1 86.1 61.4 107 160 C D H 3<5S+ 0 0 101 -4,-3.5 -1,-0.2 1,-0.3 -2,-0.2 0.719 100.2 62.7 -61.0 -20.6 57.1 88.3 60.7 108 161 C G T <<5S- 0 0 25 -4,-0.9 -1,-0.3 -3,-0.7 -2,-0.2 0.498 120.5-104.5 -84.5 -2.9 56.1 90.4 63.7 109 162 C G T <>5S+ 0 0 32 -3,-2.1 4,-1.2 -4,-0.2 -3,-0.2 0.638 75.0 141.2 89.9 15.2 56.6 87.5 66.1 110 163 C A H >< + 0 0 0 -5,-1.6 4,-2.9 1,-0.2 5,-0.3 0.847 56.0 66.8 -59.7 -39.4 52.8 87.0 66.5 111 164 C I H > S+ 0 0 2 -5,-0.3 4,-2.4 2,-0.2 5,-0.2 0.946 103.1 40.0 -52.1 -62.6 53.0 83.1 66.6 112 165 C P H > S+ 0 0 60 0, 0.0 4,-2.0 0, 0.0 -1,-0.2 0.941 117.9 51.0 -55.3 -43.3 54.8 82.6 69.9 113 166 C A H X S+ 0 0 23 -4,-1.2 4,-1.3 1,-0.2 -2,-0.2 0.899 110.6 47.6 -59.1 -44.8 52.8 85.4 71.5 114 167 C F H X S+ 0 0 0 -4,-2.9 4,-0.7 1,-0.2 -1,-0.2 0.859 108.4 54.8 -65.8 -36.7 49.4 84.0 70.4 115 168 C I H >< S+ 0 0 19 -4,-2.4 3,-1.1 -5,-0.3 4,-0.4 0.908 104.9 55.1 -63.5 -37.9 50.4 80.6 71.6 116 169 C S H >< S+ 0 0 92 -4,-2.0 3,-1.0 1,-0.3 -1,-0.2 0.840 101.9 57.9 -63.3 -33.5 51.0 82.2 75.0 117 170 C L H >< S+ 0 0 10 -4,-1.3 3,-2.0 1,-0.2 -1,-0.3 0.663 83.7 80.6 -73.4 -13.7 47.5 83.6 75.0 118 171 C L T << S+ 0 0 3 -3,-1.1 -1,-0.2 -4,-0.7 -2,-0.2 0.847 92.7 51.9 -61.4 -27.3 45.9 80.2 74.6 119 172 C A T < S+ 0 0 91 -3,-1.0 -1,-0.3 -4,-0.4 -2,-0.2 0.410 84.0 133.6 -87.1 1.5 46.5 79.8 78.4 120 173 C S < - 0 0 22 -3,-2.0 6,-0.1 1,-0.1 -3,-0.0 -0.102 61.2-134.7 -53.4 150.2 44.8 83.1 79.1 121 174 C P S S+ 0 0 121 0, 0.0 2,-0.8 0, 0.0 -1,-0.1 0.544 92.2 80.0 -81.4 -10.4 42.2 83.2 82.0 122 175 C H >> - 0 0 78 1,-0.2 3,-2.0 2,-0.0 4,-1.9 -0.854 68.8-161.3-103.7 100.6 40.0 85.2 79.6 123 176 C A H 3> S+ 0 0 60 -2,-0.8 4,-2.4 1,-0.3 5,-0.2 0.842 90.1 57.6 -48.7 -41.9 38.3 82.8 77.3 124 177 C H H 3> S+ 0 0 77 1,-0.2 4,-1.4 2,-0.2 -1,-0.3 0.780 109.1 48.2 -64.6 -22.3 37.4 85.5 74.7 125 178 C I H <> S+ 0 0 0 -3,-2.0 4,-2.5 2,-0.2 -2,-0.2 0.920 113.4 42.7 -81.9 -48.2 41.1 86.3 74.6 126 179 C S H X S+ 0 0 3 -4,-1.9 4,-2.6 2,-0.2 -2,-0.2 0.776 111.3 59.3 -69.0 -22.6 42.4 82.7 74.1 127 180 C E H X S+ 0 0 46 -4,-2.4 4,-3.0 -5,-0.3 -1,-0.2 0.960 106.2 46.6 -66.6 -47.8 39.5 82.3 71.7 128 181 C Q H X S+ 0 0 6 -4,-1.4 4,-3.3 1,-0.2 -2,-0.2 0.934 110.3 52.7 -57.6 -45.5 41.0 85.1 69.7 129 182 C A H X S+ 0 0 0 -4,-2.5 4,-3.0 2,-0.2 5,-0.3 0.939 109.4 49.8 -56.0 -45.3 44.4 83.5 69.9 130 183 C V H X S+ 0 0 0 -4,-2.6 4,-2.5 1,-0.2 -2,-0.2 0.962 112.4 46.8 -55.4 -53.0 42.8 80.3 68.6 131 184 C W H X S+ 0 0 30 -4,-3.0 4,-2.3 1,-0.2 -1,-0.2 0.903 112.7 50.6 -55.0 -45.5 41.2 82.2 65.7 132 185 C A H X S+ 0 0 0 -4,-3.3 4,-1.8 1,-0.2 -1,-0.2 0.945 111.3 45.3 -59.3 -54.1 44.5 84.0 65.0 133 186 C L H X S+ 0 0 1 -4,-3.0 4,-2.6 1,-0.2 5,-0.4 0.853 109.0 60.7 -59.4 -33.3 46.5 80.8 64.9 134 187 C G H X S+ 0 0 0 -4,-2.5 4,-1.7 -5,-0.3 -2,-0.2 0.957 106.0 44.8 -57.5 -52.0 43.7 79.4 62.8 135 188 C N H X S+ 0 0 0 -4,-2.3 4,-1.1 2,-0.2 -1,-0.2 0.807 113.2 52.1 -63.0 -31.2 44.3 82.1 60.1 136 189 C I H >X S+ 0 0 0 -4,-1.8 3,-0.6 2,-0.2 4,-0.5 0.964 111.4 42.0 -73.9 -50.7 48.1 81.6 60.2 137 190 C A H >< S+ 0 0 0 -4,-2.6 3,-1.0 1,-0.2 7,-0.4 0.830 107.8 68.2 -63.5 -27.5 48.2 77.9 59.7 138 191 C G H 3< S+ 0 0 1 -4,-1.7 -1,-0.2 -5,-0.4 -2,-0.2 0.906 82.3 71.0 -57.7 -41.9 45.5 78.5 57.2 139 192 C D H << S- 0 0 35 -4,-1.1 2,-0.3 -3,-0.6 -1,-0.2 0.825 112.0 -85.8 -45.4 -37.9 47.9 80.3 54.9 140 193 C G S+ 0 0 21 -2,-0.3 4,-2.7 1,-0.2 5,-0.2 0.866 121.7 51.3 -40.5 -58.0 52.1 74.2 54.7 142 195 C A H > S+ 0 0 79 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.951 118.2 33.5 -51.4 -63.6 55.0 76.5 55.7 143 196 C F H > S+ 0 0 31 2,-0.2 4,-2.9 1,-0.2 5,-0.2 0.872 114.2 61.5 -64.0 -36.5 53.2 78.6 58.4 144 197 C R H X S+ 0 0 0 -4,-3.2 4,-1.5 -7,-0.4 -1,-0.2 0.940 110.1 40.8 -52.3 -50.6 51.0 75.5 59.3 145 198 C D H X S+ 0 0 34 -4,-2.7 4,-2.3 -5,-0.2 -1,-0.2 0.774 110.7 56.7 -71.6 -28.7 54.2 73.7 60.3 146 199 C L H X S+ 0 0 65 -4,-1.7 4,-1.6 -5,-0.2 -2,-0.2 0.904 105.9 51.9 -69.4 -38.5 55.8 76.8 61.9 147 200 C V H <>S+ 0 0 1 -4,-2.9 5,-1.7 1,-0.2 3,-0.2 0.915 111.2 47.3 -60.3 -43.8 52.7 77.0 64.2 148 201 C I H ><5S+ 0 0 28 -4,-1.5 3,-1.8 1,-0.2 -1,-0.2 0.910 108.5 55.0 -65.2 -41.1 53.2 73.4 65.1 149 202 C K H 3<5S+ 0 0 180 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.775 102.0 56.6 -63.8 -28.2 56.9 74.0 65.7 150 203 C H T 3<5S- 0 0 80 -4,-1.6 -1,-0.3 -3,-0.2 -2,-0.2 0.431 123.7-108.7 -82.4 1.8 56.1 76.7 68.2 151 204 C G T < 5 + 0 0 31 -3,-1.8 -3,-0.2 -5,-0.1 -2,-0.2 0.840 68.4 146.5 79.0 37.5 54.1 74.1 70.1 152 205 C A >< + 0 0 0 -5,-1.7 4,-2.3 1,-0.2 5,-0.2 0.922 58.1 71.6 -71.3 -41.5 50.6 75.2 69.4 153 206 C I H > S+ 0 0 4 1,-0.2 4,-2.8 2,-0.2 5,-0.3 0.841 97.1 47.2 -44.1 -50.8 49.0 71.7 69.3 154 207 C D H > S+ 0 0 105 1,-0.2 4,-3.3 2,-0.2 5,-0.2 0.976 112.2 47.4 -59.2 -57.6 49.3 71.0 73.1 155 208 C P H > S+ 0 0 43 0, 0.0 4,-0.8 0, 0.0 -1,-0.2 0.867 116.0 48.4 -50.5 -39.5 47.9 74.3 74.4 156 209 C L H >< S+ 0 0 0 -4,-2.3 3,-2.3 2,-0.2 4,-0.4 0.996 112.3 44.5 -64.5 -63.8 45.0 73.9 71.9 157 210 C L H >< S+ 0 0 24 -4,-2.8 3,-2.4 1,-0.3 4,-0.5 0.865 106.4 62.7 -49.3 -39.2 44.2 70.3 72.7 158 211 C A H >< S+ 0 0 67 -4,-3.3 3,-1.1 1,-0.3 -1,-0.3 0.827 93.9 64.0 -56.0 -31.7 44.4 71.2 76.4 159 212 C L T << S+ 0 0 35 -3,-2.3 -1,-0.3 -4,-0.8 -2,-0.2 0.629 105.8 43.7 -67.6 -14.8 41.5 73.6 75.7 160 213 C L T < S+ 0 0 1 -3,-2.4 2,-3.0 -4,-0.4 -1,-0.2 0.362 76.1 115.9-111.4 3.4 39.3 70.6 74.9 161 214 C A < + 0 0 82 -3,-1.1 -1,-0.1 -4,-0.5 -3,-0.1 -0.378 48.3 124.2 -73.3 68.8 40.4 68.3 77.8 162 215 C V S S- 0 0 35 -2,-3.0 3,-0.2 1,-0.1 6,-0.0 -0.950 70.9-123.2-129.8 149.4 36.9 68.4 79.3 163 216 C P S S+ 0 0 145 0, 0.0 2,-0.4 0, 0.0 -1,-0.1 0.906 102.6 26.6 -56.4 -41.8 34.6 65.5 80.2 164 217 C D > - 0 0 85 1,-0.1 3,-2.4 -3,-0.1 4,-0.3 -0.939 63.1-155.2-132.8 114.3 31.8 66.9 78.0 165 218 C L G > S+ 0 0 9 -2,-0.4 3,-1.6 1,-0.3 -1,-0.1 0.776 92.3 70.8 -52.4 -29.9 32.3 69.1 75.0 166 219 C S G 3 S+ 0 0 62 1,-0.3 -1,-0.3 -3,-0.1 4,-0.1 0.622 83.5 67.7 -67.0 -12.5 28.9 70.6 75.5 167 220 C T G < S+ 0 0 105 -3,-2.4 -1,-0.3 2,-0.1 -2,-0.2 0.670 86.9 89.7 -79.8 -15.1 29.9 72.5 78.6 168 221 C L S < S- 0 0 30 -3,-1.6 2,-0.3 -4,-0.3 -8,-0.0 -0.504 97.6 -91.2 -81.3 151.5 32.1 74.7 76.3 169 222 C A >> - 0 0 66 -2,-0.2 4,-2.5 1,-0.1 3,-0.6 -0.445 37.1-129.9 -62.8 122.2 30.7 77.8 74.7 170 223 C C H 3> S+ 0 0 64 -2,-0.3 4,-2.1 1,-0.3 5,-0.2 0.873 105.2 44.1 -40.4 -59.1 29.4 76.8 71.3 171 224 C G H 3> S+ 0 0 36 1,-0.2 4,-1.9 2,-0.2 -1,-0.3 0.847 112.5 53.9 -59.4 -34.5 31.2 79.4 69.3 172 225 C Y H <> S+ 0 0 20 -3,-0.6 4,-1.8 2,-0.2 -1,-0.2 0.916 107.8 49.6 -65.8 -44.2 34.4 78.8 71.2 173 226 C L H X S+ 0 0 1 -4,-2.5 4,-2.4 1,-0.2 -2,-0.2 0.888 109.1 53.0 -62.8 -38.9 34.3 75.1 70.4 174 227 C R H X S+ 0 0 68 -4,-2.1 4,-2.9 -5,-0.3 -1,-0.2 0.900 105.8 53.7 -64.1 -40.6 33.7 75.8 66.7 175 228 C N H X S+ 0 0 10 -4,-1.9 4,-2.7 1,-0.2 -1,-0.2 0.921 110.2 46.4 -60.3 -45.3 36.7 78.1 66.6 176 229 C L H X S+ 0 0 0 -4,-1.8 4,-3.5 2,-0.2 5,-0.2 0.932 112.2 50.5 -62.3 -47.7 39.0 75.4 68.0 177 230 C T H X S+ 0 0 1 -4,-2.4 4,-3.1 1,-0.2 5,-0.2 0.968 111.9 47.7 -54.9 -55.4 37.6 72.8 65.6 178 231 C W H X S+ 0 0 4 -4,-2.9 4,-2.0 1,-0.2 -1,-0.2 0.915 113.4 47.3 -52.6 -48.8 38.1 75.0 62.6 179 232 C T H X S+ 0 0 1 -4,-2.7 4,-1.3 1,-0.2 -1,-0.2 0.948 111.6 50.8 -60.8 -46.1 41.6 75.9 63.7 180 233 C L H >< S+ 0 0 1 -4,-3.5 3,-0.9 1,-0.2 4,-0.5 0.930 106.4 55.1 -57.3 -43.7 42.4 72.2 64.3 181 234 C S H >X S+ 0 0 2 -4,-3.1 3,-1.9 1,-0.3 4,-0.6 0.920 104.4 55.1 -56.7 -40.8 41.1 71.3 60.9 182 235 C N H 3< S+ 0 0 0 -4,-2.0 3,-0.4 1,-0.3 -1,-0.3 0.781 99.5 59.6 -62.9 -27.2 43.5 73.9 59.4 183 236 C L T << S+ 0 0 2 -4,-1.3 -1,-0.3 -3,-0.9 -2,-0.2 0.564 108.0 46.9 -77.5 -5.7 46.4 72.1 61.1 184 237 C C T <4 S+ 0 0 2 -3,-1.9 -1,-0.2 -4,-0.5 -2,-0.2 0.496 98.6 98.7-106.1 -10.9 45.4 69.1 59.1 185 238 C R < + 0 0 18 -4,-0.6 -45,-0.0 -3,-0.4 36,-0.0 -0.255 57.0 42.1 -79.9 163.8 45.1 71.0 55.8 186 239 C N - 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0 0 23 -3,-1.9 -3,-0.0 2,-0.1 6,-0.0 -0.445 67.9-127.6 -84.3 161.1 29.6 66.2 68.8 210 263 C N S S+ 0 0 120 -2,-0.1 -1,-0.1 4,-0.0 3,-0.1 0.528 75.9 100.8 -88.9 -5.9 26.1 67.5 68.2 211 264 C D > - 0 0 15 1,-0.2 4,-3.0 -41,-0.0 5,-0.2 -0.691 63.2-148.6 -84.7 119.8 26.8 70.8 66.6 212 265 C P H > S+ 0 0 54 0, 0.0 4,-3.0 0, 0.0 5,-0.2 0.887 99.2 53.8 -51.6 -39.3 26.4 70.8 62.8 213 266 C E H > S+ 0 0 90 2,-0.2 4,-2.3 1,-0.2 5,-0.3 0.969 110.6 43.9 -58.3 -57.3 29.2 73.4 62.6 214 267 C V H > S+ 0 0 0 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.903 114.0 53.7 -55.1 -41.8 31.7 71.3 64.6 215 268 C L H X S+ 0 0 20 -4,-3.0 4,-2.3 2,-0.2 -2,-0.2 0.923 107.6 48.6 -60.6 -47.6 30.6 68.3 62.6 216 269 C A H X S+ 0 0 5 -4,-3.0 4,-2.3 1,-0.2 -2,-0.2 0.940 115.5 42.5 -58.0 -52.3 31.2 69.9 59.2 217 270 C D H X S+ 0 0 8 -4,-2.3 4,-2.3 1,-0.2 -1,-0.2 0.785 110.7 57.4 -67.7 -27.0 34.7 71.1 60.1 218 271 C S H X S+ 0 0 0 -4,-2.0 4,-2.3 -5,-0.3 -1,-0.2 0.925 108.4 46.8 -68.0 -42.8 35.5 67.8 61.8 219 272 C C H X S+ 0 0 0 -4,-2.3 4,-3.7 2,-0.2 -2,-0.2 0.925 110.1 52.9 -62.6 -45.0 34.7 66.1 58.6 220 273 C W H X S+ 0 0 11 -4,-2.3 4,-2.4 2,-0.2 -1,-0.2 0.919 107.1 52.3 -55.7 -46.4 36.8 68.5 56.6 221 274 C A H X S+ 0 0 0 -4,-2.3 4,-2.4 1,-0.2 3,-0.3 0.965 113.9 43.3 -54.2 -52.7 39.7 67.8 59.0 222 275 C I H X S+ 0 0 0 -4,-2.3 4,-2.5 1,-0.2 -2,-0.2 0.921 109.9 55.4 -61.0 -44.6 39.3 64.1 58.3 223 276 C S H < S+ 0 0 1 -4,-3.7 4,-0.3 1,-0.2 -1,-0.2 0.856 109.7 49.1 -57.1 -34.4 38.8 64.6 54.6 224 277 C Y H >< S+ 0 0 34 -4,-2.4 3,-1.4 -3,-0.3 -2,-0.2 0.947 110.6 47.9 -68.6 -50.5 42.2 66.5 54.6 225 278 C L H 3< S+ 0 0 8 -4,-2.4 -2,-0.2 1,-0.3 -1,-0.2 0.824 111.6 51.4 -62.0 -30.1 44.0 63.8 56.5 226 279 C T T 3< S+ 0 0 0 -4,-2.5 2,-1.3 -5,-0.2 -1,-0.3 0.496 87.4 91.1 -86.2 -2.9 42.6 61.1 54.2 227 280 C D S < S+ 0 0 39 -3,-1.4 -1,-0.1 -4,-0.3 3,-0.0 -0.685 83.2 42.3 -93.5 84.1 43.7 62.9 51.1 228 281 C G S S- 0 0 11 -2,-1.3 5,-0.1 38,-0.1 -221,-0.1 -0.944 98.2 -10.6 175.3-156.3 47.1 61.4 50.6 229 282 C P >> - 0 0 68 0, 0.0 4,-1.9 0, 0.0 3,-1.0 -0.140 67.6-104.9 -62.9 160.7 49.1 58.1 50.7 230 283 C N H 3> S+ 0 0 48 1,-0.3 4,-2.8 2,-0.2 5,-0.1 0.790 119.5 62.7 -59.0 -30.2 47.6 54.9 52.1 231 284 C E H 3> S+ 0 0 131 2,-0.2 4,-1.6 1,-0.2 -1,-0.3 0.859 106.0 47.1 -64.0 -34.7 49.7 55.2 55.2 232 285 C R H <> S+ 0 0 39 -3,-1.0 4,-1.1 2,-0.2 3,-0.3 0.965 111.0 48.8 -68.7 -55.3 47.8 58.4 55.9 233 286 C I H >X S+ 0 0 0 -4,-1.9 4,-3.2 1,-0.2 3,-0.9 0.910 109.3 57.4 -49.7 -44.4 44.4 57.0 55.2 234 287 C E H 3X S+ 0 0 56 -4,-2.8 4,-3.4 1,-0.3 -1,-0.2 0.884 99.1 53.9 -56.9 -47.3 45.3 54.1 57.5 235 288 C M H 3< S+ 0 0 21 -4,-1.6 -1,-0.3 -3,-0.3 -2,-0.2 0.745 115.6 43.8 -63.6 -20.0 46.0 56.2 60.6 236 289 C V H X<>S+ 0 0 0 -4,-1.1 3,-2.5 -3,-0.9 5,-0.6 0.934 115.7 43.6 -84.4 -59.9 42.6 57.7 60.1 237 290 C V H ><5S+ 0 0 9 -4,-3.2 3,-2.3 1,-0.3 5,-0.3 0.840 104.4 68.3 -52.3 -34.5 40.7 54.4 59.3 238 291 C K T 3<5S+ 0 0 152 -4,-3.4 -1,-0.3 1,-0.3 -2,-0.2 0.691 91.4 60.9 -59.3 -21.0 42.7 52.9 62.2 239 292 C K T < 5S- 0 0 86 -3,-2.5 -1,-0.3 -5,-0.2 -2,-0.2 0.397 111.3-122.2 -87.9 0.8 40.7 55.1 64.6 240 293 C G T < 5 + 0 0 49 -3,-2.3 4,-0.4 -4,-0.2 -3,-0.1 0.824 68.6 134.9 62.4 38.2 37.5 53.5 63.5 241 294 C V >< + 0 0 1 -5,-0.6 4,-2.2 1,-0.2 5,-0.2 0.591 43.2 91.6 -90.9 -11.7 35.8 56.6 62.3 242 295 C V H > S+ 0 0 6 -5,-0.3 4,-3.0 1,-0.2 5,-0.3 0.899 84.9 52.6 -50.1 -48.3 34.5 55.2 59.1 243 296 C P H > S+ 0 0 77 0, 0.0 4,-2.4 0, 0.0 -1,-0.2 0.964 110.5 47.3 -53.5 -53.5 31.2 54.2 60.7 244 297 C Q H > S+ 0 0 19 -4,-0.4 4,-2.6 1,-0.2 -2,-0.2 0.837 112.4 51.2 -56.4 -35.7 30.6 57.7 62.0 245 298 C L H X S+ 0 0 0 -4,-2.2 4,-2.1 2,-0.2 -1,-0.2 0.914 107.5 50.8 -69.0 -44.5 31.5 59.1 58.6 246 299 C V H X S+ 0 0 14 -4,-3.0 4,-0.8 2,-0.2 -2,-0.2 0.908 112.0 50.3 -58.6 -39.6 29.0 56.9 56.8 247 300 C K H >< S+ 0 0 146 -4,-2.4 3,-1.5 -5,-0.3 4,-0.2 0.950 111.4 44.6 -62.7 -51.3 26.5 58.1 59.4 248 301 C L H >< S+ 0 0 10 -4,-2.6 3,-1.6 1,-0.3 -1,-0.2 0.785 102.7 69.4 -64.3 -23.5 27.3 61.7 58.8 249 302 C L H 3< S+ 0 0 2 -4,-2.1 -1,-0.3 1,-0.3 -2,-0.2 0.825 99.5 48.5 -63.2 -27.8 27.2 60.8 55.1 250 303 C G T << S+ 0 0 47 -3,-1.5 -1,-0.3 -4,-0.8 -2,-0.2 0.462 86.5 130.2 -89.7 -1.8 23.5 60.4 55.7 251 304 C A < - 0 0 24 -3,-1.6 -3,-0.1 -4,-0.2 6,-0.0 -0.018 59.2-137.0 -49.3 156.0 23.2 63.7 57.4 252 305 C T S S+ 0 0 137 1,-0.1 2,-0.7 5,-0.0 -1,-0.1 0.700 81.4 86.4 -91.5 -18.9 20.5 66.1 56.2 253 306 C E >> - 0 0 77 1,-0.2 3,-2.4 2,-0.0 4,-2.3 -0.741 68.5-150.7 -87.7 114.6 22.7 69.2 56.2 254 307 C L H 3> S+ 0 0 54 -2,-0.7 4,-2.8 1,-0.3 -1,-0.2 0.797 93.8 66.1 -50.0 -36.7 24.6 69.6 53.0 255 308 C P H 34 S+ 0 0 87 0, 0.0 -1,-0.3 0, 0.0 -2,-0.0 0.711 111.9 35.5 -60.8 -20.8 27.5 71.5 54.8 256 309 C I H <> S+ 0 0 3 -3,-2.4 4,-2.2 2,-0.1 5,-0.2 0.821 113.9 55.5 -97.2 -47.6 28.1 68.2 56.6 257 310 C V H X S+ 0 0 9 -4,-2.3 4,-2.9 1,-0.2 5,-0.3 0.914 102.1 58.8 -53.5 -46.0 27.3 65.8 53.8 258 311 C T H X S+ 0 0 21 -4,-2.8 4,-1.1 1,-0.2 -1,-0.2 0.934 111.8 36.1 -52.3 -57.0 29.8 67.4 51.4 259 312 C P H > S+ 0 0 0 0, 0.0 4,-2.4 0, 0.0 -1,-0.2 0.878 115.7 55.8 -66.9 -34.4 33.0 66.9 53.5 260 313 C A H X S+ 0 0 0 -4,-2.2 4,-2.6 1,-0.2 5,-0.2 0.937 108.0 48.2 -60.6 -45.8 31.8 63.5 54.8 261 314 C L H X S+ 0 0 0 -4,-2.9 4,-2.2 -5,-0.2 -1,-0.2 0.772 109.1 56.0 -65.0 -24.9 31.4 62.3 51.2 262 315 C R H X S+ 0 0 50 -4,-1.1 4,-2.2 -5,-0.3 -2,-0.2 0.916 108.0 45.9 -73.2 -44.2 34.9 63.7 50.6 263 316 C A H X S+ 0 0 0 -4,-2.4 4,-3.1 2,-0.2 3,-0.3 0.975 115.6 45.7 -62.2 -54.1 36.5 61.7 53.4 264 317 C I H X S+ 0 0 0 -4,-2.6 4,-1.7 1,-0.2 -2,-0.2 0.931 112.5 52.0 -54.6 -46.1 34.7 58.5 52.3 265 318 C G H < S+ 0 0 0 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.857 113.2 44.5 -58.8 -37.5 35.6 59.2 48.6 266 319 C N H >< S+ 0 0 4 -4,-2.2 3,-2.1 -3,-0.3 4,-0.2 0.907 107.4 57.6 -73.0 -45.4 39.3 59.6 49.6 267 320 C I H >< S+ 0 0 0 -4,-3.1 3,-1.3 1,-0.3 -2,-0.2 0.827 100.5 59.8 -55.7 -32.4 39.3 56.6 51.9 268 321 C V T 3< S+ 0 0 0 -4,-1.7 -1,-0.3 1,-0.3 -2,-0.1 0.243 89.4 70.1 -84.1 16.3 38.2 54.5 48.9 269 322 C T T < S+ 0 0 8 -3,-2.1 -1,-0.3 -266,-0.1 -2,-0.2 0.401 93.5 76.1-103.9 -2.4 41.3 55.4 46.9 270 323 C G S < S- 0 0 5 -3,-1.3 -267,-0.1 1,-0.2 5,-0.1 0.119 99.8 -37.6 -89.1-156.7 43.3 53.3 49.3 271 324 C T >> - 0 0 47 1,-0.1 4,-2.2 -41,-0.1 3,-0.6 -0.235 58.1-111.5 -64.9 157.7 43.8 49.6 49.7 272 325 C D H 3> S+ 0 0 48 1,-0.3 4,-2.7 2,-0.2 -1,-0.1 0.769 119.6 59.3 -61.0 -27.2 40.9 47.3 49.2 273 326 C E H 3> S+ 0 0 115 2,-0.2 4,-1.3 1,-0.2 -1,-0.3 0.875 106.6 46.4 -68.6 -38.2 40.9 46.5 52.9 274 327 C Q H <> S+ 0 0 5 -3,-0.6 4,-0.9 2,-0.2 3,-0.2 0.910 113.0 49.6 -69.9 -41.4 40.4 50.2 53.6 275 328 C T H >X S+ 0 0 0 -4,-2.2 4,-1.8 1,-0.2 3,-1.0 0.926 104.2 59.3 -61.3 -45.8 37.6 50.4 51.0 276 329 C Q H 3X S+ 0 0 26 -4,-2.7 4,-3.6 1,-0.3 5,-0.3 0.871 96.2 64.3 -50.1 -40.6 36.0 47.3 52.5 277 330 C K H 3X S+ 0 0 113 -4,-1.3 4,-1.1 -3,-0.2 -1,-0.3 0.877 103.4 44.7 -52.3 -45.3 35.7 49.3 55.7 278 331 C V H S+ 0 0 0 -3,-1.0 5,-2.2 -4,-0.9 4,-0.7 0.892 114.1 49.9 -70.2 -37.5 33.3 51.8 54.2 279 332 C I H ><5S+ 0 0 9 -4,-1.8 3,-2.3 1,-0.2 -2,-0.2 0.974 110.3 49.1 -62.7 -51.5 31.3 49.1 52.5 280 333 C D H 3<5S+ 0 0 110 -4,-3.6 -1,-0.2 1,-0.3 -2,-0.2 0.786 106.4 60.7 -57.0 -25.3 31.1 47.2 55.8 281 334 C A H 3<5S- 0 0 32 -4,-1.1 -1,-0.3 -5,-0.3 -2,-0.2 0.677 120.1-109.7 -77.5 -17.4 30.0 50.5 57.2 282 335 C G T X<5 + 0 0 28 -3,-2.3 3,-1.0 -4,-0.7 4,-0.5 0.503 69.6 143.9 101.5 5.8 27.0 50.6 55.0 283 336 C A G >>< + 0 0 0 -5,-2.2 3,-2.4 1,-0.2 4,-0.5 0.896 65.7 60.7 -42.3 -55.0 28.2 53.5 52.8 284 337 C L G >4 S+ 0 0 0 1,-0.3 3,-1.9 2,-0.2 -1,-0.2 0.828 89.8 68.4 -45.6 -43.5 26.6 52.0 49.7 285 338 C A G <4 S+ 0 0 67 -3,-1.0 -1,-0.3 1,-0.3 4,-0.3 0.709 99.4 52.3 -52.9 -20.1 23.1 52.1 51.1 286 339 C V G X> S+ 0 0 31 -3,-2.4 4,-2.1 -4,-0.5 3,-0.6 0.690 87.7 83.4 -90.5 -19.1 23.3 55.9 50.9 287 340 C F H < S+ 0 0 6 -4,-2.1 3,-1.0 1,-0.3 12,-0.2 0.851 108.4 56.7 -57.2 -39.0 23.7 60.6 46.6 291 344 C L T 3< S+ 0 0 3 -4,-3.6 -1,-0.3 1,-0.2 -2,-0.2 0.474 117.6 34.1 -75.7 -1.2 23.7 59.6 43.0 292 345 C T T < S+ 0 0 89 -3,-1.8 -1,-0.2 -4,-0.2 -2,-0.2 0.163 87.6 141.8-132.8 11.6 20.5 61.5 42.4 293 346 C N < - 0 0 33 -3,-1.0 6,-0.2 -4,-0.2 -3,-0.1 -0.270 54.3-132.9 -57.6 139.3 21.2 64.3 44.9 294 347 C P S S+ 0 0 120 0, 0.0 2,-1.3 0, 0.0 -1,-0.1 0.836 87.8 85.1 -64.3 -37.2 20.1 67.8 43.7 295 348 C K S >> S- 0 0 94 1,-0.2 3,-1.7 2,-0.1 4,-1.3 -0.582 75.9-149.0 -75.1 98.2 23.4 69.5 44.5 296 349 C T H 3> S+ 0 0 75 -2,-1.3 4,-1.5 1,-0.3 3,-0.5 0.785 91.8 55.0 -31.2 -54.7 25.4 68.7 41.3 297 350 C N H 3> S+ 0 0 50 1,-0.2 4,-2.5 2,-0.2 -1,-0.3 0.856 103.4 54.1 -55.5 -40.5 28.7 68.6 43.1 298 351 C I H <> S+ 0 0 1 -3,-1.7 4,-2.3 1,-0.2 -1,-0.2 0.874 108.0 53.4 -60.6 -36.5 27.6 65.9 45.6 299 352 C Q H X S+ 0 0 31 -4,-1.3 4,-1.8 -3,-0.5 -1,-0.2 0.830 108.2 48.4 -67.2 -36.0 26.6 63.9 42.6 300 353 C K H X S+ 0 0 52 -4,-1.5 4,-2.9 2,-0.2 5,-0.2 0.949 112.8 47.0 -70.2 -50.0 30.1 64.2 41.0 301 354 C E H X S+ 0 0 13 -4,-2.5 4,-2.7 1,-0.2 -2,-0.2 0.896 112.4 51.8 -57.1 -42.8 31.8 63.2 44.3 302 355 C A H X S+ 0 0 0 -4,-2.3 4,-2.3 -5,-0.2 -1,-0.2 0.902 112.0 44.2 -61.7 -44.4 29.4 60.3 44.7 303 356 C T H X S+ 0 0 0 -4,-1.8 4,-2.0 2,-0.2 -2,-0.2 0.906 112.4 52.7 -69.4 -40.8 30.1 59.0 41.1 304 357 C W H X S+ 0 0 2 -4,-2.9 4,-1.2 2,-0.2 3,-0.2 0.945 110.0 48.9 -57.1 -48.7 33.8 59.5 41.5 305 358 C T H >< S+ 0 0 0 -4,-2.7 3,-0.8 1,-0.2 4,-0.4 0.926 108.3 54.2 -58.0 -44.8 33.6 57.5 44.8 306 359 C M H >X S+ 0 0 0 -4,-2.3 4,-2.7 1,-0.3 3,-1.2 0.859 103.4 56.1 -58.2 -35.9 31.7 54.8 42.9 307 360 C S H 3X S+ 0 0 0 -4,-2.0 4,-0.6 1,-0.3 -1,-0.3 0.792 104.7 53.1 -68.3 -27.4 34.4 54.6 40.3 308 361 C N H << S+ 0 0 0 -4,-1.2 -1,-0.3 -3,-0.8 -2,-0.2 0.491 112.0 45.5 -85.5 -2.3 36.9 53.9 43.0 309 362 C I H X4 S+ 0 0 0 -3,-1.2 3,-1.4 -4,-0.4 -2,-0.2 0.748 109.6 51.4-103.3 -40.5 34.7 51.0 44.3 310 363 C T H 3< S+ 0 0 0 -4,-2.7 44,-0.3 1,-0.3 -2,-0.2 0.696 102.7 65.9 -68.0 -16.3 34.0 49.5 40.9 311 364 C A T 3< S+ 0 0 11 -4,-0.6 -1,-0.3 -5,-0.2 -309,-0.2 0.105 98.8 68.5 -91.7 24.0 37.8 49.6 40.5 312 365 C G S < S- 0 0 17 -3,-1.4 -3,-0.1 1,-0.3 5,-0.1 -0.164 94.4 -24.7-118.7-148.6 38.3 47.1 43.3 313 366 C R > - 0 0 74 1,-0.1 4,-2.7 -2,-0.1 3,-0.5 -0.278 54.7-123.5 -63.4 150.3 37.7 43.5 44.2 314 367 C Q H > S+ 0 0 87 1,-0.3 4,-4.0 2,-0.3 5,-0.2 0.924 113.9 56.7 -63.0 -44.4 35.0 41.6 42.4 315 368 C D H > S+ 0 0 86 1,-0.2 4,-0.9 2,-0.2 -1,-0.3 0.794 110.7 48.5 -57.0 -24.1 33.2 40.7 45.6 316 369 C Q H > S+ 0 0 0 -3,-0.5 4,-1.8 2,-0.2 3,-0.4 0.910 108.0 50.6 -80.7 -46.1 33.2 44.4 46.1 317 370 C I H >X S+ 0 0 0 -4,-2.7 4,-2.2 1,-0.3 3,-0.8 0.967 109.1 54.3 -53.0 -49.2 31.9 45.1 42.6 318 371 C Q H 3X S+ 0 0 66 -4,-4.0 4,-3.2 1,-0.3 -1,-0.3 0.834 101.0 58.4 -51.7 -37.5 29.2 42.5 43.5 319 372 C Q H 3X S+ 0 0 50 -4,-0.9 4,-1.8 -3,-0.4 -1,-0.3 0.908 105.4 49.9 -60.0 -41.6 28.4 44.6 46.6 320 373 C V H <<>S+ 0 0 0 -4,-1.8 5,-1.9 -3,-0.8 3,-0.4 0.969 111.5 49.2 -59.6 -52.4 27.7 47.5 44.3 321 374 C V H ><5S+ 0 0 19 -4,-2.2 3,-1.8 1,-0.2 -2,-0.2 0.902 108.2 52.3 -53.7 -47.7 25.5 45.2 42.3 322 375 C N H 3<5S+ 0 0 104 -4,-3.2 -1,-0.2 1,-0.3 -2,-0.2 0.846 104.7 55.8 -61.4 -34.8 23.6 43.9 45.3 323 376 C H T 3<5S- 0 0 72 -4,-1.8 -1,-0.3 -3,-0.4 -2,-0.2 0.397 114.3-119.2 -78.7 5.3 22.8 47.4 46.5 324 377 C G T <>5S+ 0 0 25 -3,-1.8 4,-0.5 -4,-0.2 -3,-0.2 0.785 70.9 137.6 63.4 29.1 21.2 48.0 43.1 325 378 C L H >< + 0 0 0 -5,-1.9 4,-2.2 1,-0.2 5,-0.2 0.703 52.9 74.8 -79.4 -20.8 23.6 50.8 42.3 326 379 C V H > S+ 0 0 0 -6,-0.3 4,-2.7 1,-0.2 3,-0.3 0.958 92.8 54.4 -55.2 -51.5 24.3 49.8 38.7 327 380 C P H > S+ 0 0 61 0, 0.0 4,-2.7 0, 0.0 -1,-0.2 0.867 109.3 49.1 -49.2 -40.7 20.8 51.1 37.7 328 381 C F H X S+ 0 0 63 -4,-0.5 4,-3.5 2,-0.2 -2,-0.2 0.869 108.1 52.6 -69.0 -37.9 21.9 54.5 39.2 329 382 C L H X S+ 0 0 1 -4,-2.2 4,-2.9 -3,-0.3 -1,-0.2 0.905 109.0 50.4 -63.6 -39.8 25.2 54.4 37.4 330 383 C V H X S+ 0 0 17 -4,-2.7 4,-2.6 2,-0.2 -2,-0.2 0.985 112.3 48.2 -59.4 -54.0 23.2 53.9 34.2 331 384 C G H X S+ 0 0 36 -4,-2.7 4,-2.6 1,-0.2 -2,-0.2 0.926 112.2 47.1 -49.9 -54.6 21.0 56.8 35.2 332 385 C V H < S+ 0 0 4 -4,-3.5 -1,-0.2 1,-0.2 -2,-0.2 0.921 113.1 49.7 -55.2 -44.5 24.0 59.0 36.0 333 386 C L H < S+ 0 0 1 -4,-2.9 -1,-0.2 -5,-0.2 -2,-0.2 0.866 112.6 49.7 -62.4 -35.8 25.6 58.0 32.7 334 387 C S H < S+ 0 0 62 -4,-2.6 2,-0.3 1,-0.2 -2,-0.2 0.900 126.9 5.3 -70.5 -46.0 22.4 58.8 30.9 335 388 C K S < S+ 0 0 175 -4,-2.6 2,-0.3 -5,-0.2 -1,-0.2 -0.916 87.5 91.3-150.7 120.3 21.7 62.3 32.2 336 389 C A S S- 0 0 29 -2,-0.3 5,-0.1 -3,-0.2 -4,-0.0 -0.947 79.1 -46.4 175.6 174.4 23.8 64.5 34.5 337 390 C D > - 0 0 70 -2,-0.3 4,-2.2 1,-0.1 3,-0.4 -0.333 59.4-116.2 -57.5 144.6 26.4 67.2 34.4 338 391 C F H > S+ 0 0 69 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.881 116.0 55.3 -52.8 -42.6 29.1 66.2 32.0 339 392 C K H > S+ 0 0 119 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.908 108.1 47.8 -57.8 -43.0 31.7 66.1 34.8 340 393 C T H > S+ 0 0 0 -3,-0.4 4,-1.5 1,-0.2 -1,-0.2 0.885 110.7 52.8 -64.9 -37.2 29.5 63.6 36.7 341 394 C Q H X S+ 0 0 29 -4,-2.2 4,-3.2 1,-0.2 -2,-0.2 0.865 104.8 54.8 -65.4 -36.4 29.1 61.6 33.5 342 395 C K H X S+ 0 0 53 -4,-2.4 4,-1.9 1,-0.2 -1,-0.2 0.905 108.1 48.6 -64.0 -39.0 32.9 61.5 33.1 343 396 C E H X S+ 0 0 13 -4,-1.8 4,-2.4 2,-0.2 -1,-0.2 0.808 111.6 51.5 -68.0 -29.4 33.0 60.0 36.6 344 397 C A H X S+ 0 0 0 -4,-1.5 4,-3.1 2,-0.2 5,-0.3 0.933 103.1 56.9 -71.3 -48.6 30.4 57.6 35.5 345 398 C A H X S+ 0 0 1 -4,-3.2 4,-3.3 1,-0.2 -2,-0.2 0.933 111.8 44.0 -47.1 -50.8 32.3 56.6 32.4 346 399 C W H X S+ 0 0 52 -4,-1.9 4,-3.6 2,-0.2 5,-0.4 0.956 108.7 55.0 -61.2 -52.9 35.2 55.6 34.7 347 400 C A H X S+ 0 0 0 -4,-2.4 4,-1.9 1,-0.2 -1,-0.2 0.924 115.1 42.6 -45.2 -49.3 33.0 53.9 37.2 348 401 C I H X S+ 0 0 0 -4,-3.1 4,-3.0 2,-0.2 5,-0.3 0.958 113.6 48.5 -63.3 -54.8 31.7 51.8 34.3 349 402 C T H X S+ 0 0 8 -4,-3.3 4,-1.3 -5,-0.3 -2,-0.2 0.898 113.1 49.1 -55.3 -41.5 35.1 51.2 32.6 350 403 C N H X S+ 0 0 4 -4,-3.6 4,-1.4 2,-0.2 -1,-0.2 0.887 110.6 51.2 -64.5 -39.7 36.6 50.2 36.0 351 404 C Y H >X S+ 0 0 1 -4,-1.9 4,-2.4 -5,-0.4 3,-0.8 0.973 114.2 42.2 -59.7 -55.5 33.7 47.8 36.6 352 405 C T H 3< S+ 0 0 4 -4,-3.0 -1,-0.2 1,-0.2 -2,-0.2 0.697 110.2 62.0 -66.0 -19.2 34.1 46.2 33.1 353 406 C S H 3< S+ 0 0 52 -4,-1.3 -1,-0.2 -5,-0.3 -2,-0.2 0.799 124.2 11.3 -78.4 -29.6 37.9 46.3 33.7 354 407 C G H << S+ 0 0 29 -4,-1.4 -2,-0.2 -3,-0.8 -3,-0.1 0.405 101.3 108.2-130.1 2.6 37.9 44.0 36.7 355 408 C G < - 0 0 12 -4,-2.4 -41,-0.1 -5,-0.2 -40,-0.0 -0.334 69.1-103.5 -81.5 164.2 34.4 42.5 36.9 356 409 C T > - 0 0 41 -42,-0.1 4,-2.3 1,-0.1 5,-0.2 -0.177 32.3-108.1 -75.1 175.3 33.3 38.9 36.2 357 410 C V H > S+ 0 0 36 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.975 120.6 52.9 -69.1 -55.5 31.6 37.9 33.0 358 411 C E H > S+ 0 0 164 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.868 114.3 46.2 -45.6 -39.9 28.2 37.3 34.7 359 412 C Q H > S+ 0 0 9 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.888 108.0 51.4 -72.5 -45.0 28.7 40.9 36.1 360 413 C I H X S+ 0 0 10 -4,-2.3 4,-1.4 1,-0.2 -1,-0.2 0.855 111.6 53.0 -62.6 -29.6 29.7 42.6 32.9 361 414 C V H >X S+ 0 0 45 -4,-2.7 4,-2.5 2,-0.2 3,-0.5 0.968 104.4 51.8 -66.2 -55.5 26.6 40.9 31.5 362 415 C Y H 3X S+ 0 0 74 -4,-2.2 4,-1.4 1,-0.3 -2,-0.2 0.873 106.2 57.8 -47.1 -43.0 24.3 42.3 34.2 363 416 C L H ><>S+ 0 0 1 -4,-2.1 5,-1.5 1,-0.2 3,-0.5 0.922 107.5 44.7 -56.2 -47.8 25.7 45.7 33.4 364 417 C V H X<5S+ 0 0 24 -4,-1.4 3,-1.3 -3,-0.5 5,-0.3 0.887 109.8 56.9 -65.4 -37.5 24.6 45.4 29.7 365 418 C H H 3<5S+ 0 0 156 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.729 99.9 59.4 -64.9 -24.1 21.2 44.1 30.9 366 419 C C T <<5S- 0 0 38 -4,-1.4 -1,-0.3 -3,-0.5 -2,-0.2 0.619 125.8-100.5 -80.1 -12.1 20.7 47.2 32.9 367 420 C G T < 5S+ 0 0 33 -3,-1.3 3,-0.2 -4,-0.4 5,-0.2 0.702 73.6 144.2 101.0 26.6 21.0 49.3 29.8 368 421 C I >< + 0 0 0 -5,-1.5 4,-1.8 1,-0.2 5,-0.2 0.863 60.6 69.1 -65.6 -33.8 24.6 50.5 30.0 369 422 C I H > S+ 0 0 8 -5,-0.3 4,-1.8 2,-0.2 -1,-0.2 0.879 96.8 45.2 -55.6 -49.8 25.2 50.3 26.2 370 423 C E H >> S+ 0 0 119 -3,-0.2 4,-2.4 2,-0.2 3,-0.9 0.991 115.4 42.1 -63.4 -62.7 23.0 53.1 24.9 371 424 C P H 3> S+ 0 0 11 0, 0.0 4,-1.2 0, 0.0 -1,-0.2 0.871 114.5 55.9 -50.9 -35.8 23.8 56.0 27.3 372 425 C L H 3< S+ 0 0 0 -4,-1.8 4,-0.2 -5,-0.2 -2,-0.2 0.857 108.1 46.9 -65.0 -37.5 27.4 54.9 27.0 373 426 C M H X< S+ 0 0 0 -4,-1.8 3,-3.2 -3,-0.9 4,-0.4 0.952 105.2 57.8 -70.2 -49.2 27.3 55.2 23.2 374 427 C N H >< S+ 0 0 72 -4,-2.4 3,-1.4 1,-0.3 -1,-0.2 0.813 98.4 64.2 -50.9 -30.2 25.7 58.6 23.2 375 428 C L G >< S+ 0 0 10 -4,-1.2 3,-1.6 -5,-0.3 -1,-0.3 0.651 82.0 76.4 -70.8 -13.9 28.6 59.8 25.3 376 429 C L G < S+ 0 0 6 -3,-3.2 -1,-0.3 1,-0.3 -2,-0.2 0.706 84.6 65.6 -69.5 -15.4 31.0 59.1 22.4 377 430 C S G < S+ 0 0 67 -3,-1.4 -1,-0.3 -4,-0.4 -2,-0.2 0.532 79.0 118.9 -80.9 -7.0 29.7 62.3 20.8 378 431 C A S < S- 0 0 21 -3,-1.6 2,-1.8 1,-0.1 6,-0.1 -0.307 74.0-121.6 -64.4 141.9 31.2 64.3 23.7 379 432 C K S S+ 0 0 203 4,-0.0 2,-0.2 -2,-0.0 -1,-0.1 -0.550 82.1 94.0 -84.1 74.1 33.9 66.9 22.9 380 433 C D > - 0 0 41 -2,-1.8 4,-1.8 -4,-0.2 3,-0.2 -0.693 57.2-159.0-166.8 105.9 36.6 65.3 25.1 381 434 C T H > S+ 0 0 54 1,-0.2 4,-1.1 -2,-0.2 -1,-0.1 0.875 91.4 59.6 -57.8 -37.9 39.2 62.9 23.8 382 435 C K H >> S+ 0 0 93 1,-0.2 4,-1.9 2,-0.2 3,-0.5 0.909 106.9 42.3 -59.6 -48.8 39.9 61.5 27.3 383 436 C I H 3> S+ 0 0 0 1,-0.2 4,-2.5 -3,-0.2 5,-0.2 0.910 107.7 62.4 -65.7 -39.2 36.4 60.2 28.0 384 437 C I H 3X S+ 0 0 6 -4,-1.8 4,-1.8 1,-0.2 -1,-0.2 0.803 106.1 47.4 -54.5 -29.9 36.1 58.9 24.5 385 438 C Q H X S+ 0 0 4 -4,-2.0 4,-2.2 2,-0.2 3,-0.6 0.928 108.6 50.2 -65.3 -48.1 32.5 44.3 27.4 395 448 C F H 3X S+ 0 0 0 -4,-3.0 4,-1.9 1,-0.3 5,-0.2 0.948 107.3 55.2 -55.3 -49.5 33.1 42.7 24.0 396 449 C Q H 3X S+ 0 0 93 -4,-2.6 4,-0.8 1,-0.3 -1,-0.3 0.785 108.4 48.3 -54.6 -30.1 35.8 40.5 25.5 397 450 C A H << S+ 0 0 5 -4,-1.0 -1,-0.3 -3,-0.6 -2,-0.2 0.870 114.6 45.5 -77.3 -35.8 33.3 39.3 28.0 398 451 C A H <>S+ 0 0 13 -4,-2.2 5,-2.8 1,-0.2 6,-1.0 0.636 105.1 62.1 -78.2 -16.6 30.8 38.7 25.2 399 452 C E H ><5S+ 0 0 78 -4,-1.9 3,-0.8 -5,-0.2 -1,-0.2 0.814 99.1 56.0 -76.3 -30.4 33.6 37.0 23.3 400 453 C K T 3<5S+ 0 0 162 -4,-0.8 -1,-0.2 1,-0.2 -2,-0.2 0.464 113.0 41.2 -79.0 -4.1 33.8 34.4 26.1 401 454 C L T 3 5S- 0 0 90 -3,-0.5 -1,-0.2 -4,-0.0 -2,-0.2 0.210 110.3-117.7-125.2 8.9 30.1 33.7 25.5 402 455 C G T < 5S+ 0 0 63 -3,-0.8 3,-0.2 1,-0.1 -3,-0.2 0.794 84.3 118.3 56.7 29.6 30.1 33.8 21.7 403 456 C E >< + 0 0 85 -5,-2.8 4,-2.4 -8,-0.2 5,-0.3 0.334 27.8 114.1-105.5 3.4 27.7 36.7 22.0 404 457 C T H > S+ 0 0 40 -6,-1.0 4,-2.0 1,-0.2 -1,-0.1 0.860 78.0 49.7 -42.4 -46.8 30.0 39.1 20.2 405 458 C E H >> S+ 0 0 145 2,-0.2 4,-2.1 1,-0.2 3,-0.6 0.981 108.3 50.2 -59.5 -58.6 27.6 39.4 17.3 406 459 C K H 3> S+ 0 0 139 1,-0.3 4,-1.9 2,-0.2 -1,-0.2 0.869 110.6 51.7 -47.2 -42.3 24.5 40.1 19.4 407 460 C L H 3X S+ 0 0 7 -4,-2.4 4,-2.2 1,-0.2 -1,-0.3 0.908 105.5 56.1 -61.8 -41.6 26.4 42.8 21.2 408 461 C S H X S+ 0 0 57 -4,-2.1 4,-3.1 2,-0.2 3,-0.9 0.970 108.0 49.1 -53.7 -59.5 23.7 44.5 16.9 410 463 C M H 3X S+ 0 0 74 -4,-1.9 4,-2.3 1,-0.3 3,-0.4 0.928 112.1 46.6 -43.3 -63.3 22.8 46.5 20.0 411 464 C I H 3<>S+ 0 0 0 -4,-2.2 5,-2.8 1,-0.3 6,-1.5 0.773 118.1 46.0 -52.4 -26.9 25.7 49.0 19.5 412 465 C E H X<5S+ 0 0 109 -4,-1.6 3,-1.0 -3,-0.9 -1,-0.3 0.797 106.4 58.6 -86.0 -31.9 24.5 49.1 16.0 413 466 C E H 3<5S+ 0 0 153 -4,-3.1 -2,-0.2 -3,-0.4 -3,-0.2 0.924 110.4 40.8 -63.1 -48.8 20.8 49.4 16.9 414 467 C C T 3<5S- 0 0 42 -4,-2.3 -1,-0.3 -5,-0.2 -2,-0.1 0.241 122.4-104.8 -86.2 13.8 21.3 52.6 18.9 415 468 C G T < 5S+ 0 0 24 -3,-1.0 -3,-0.2 -5,-0.2 4,-0.2 0.777 79.6 134.4 71.0 27.5 23.7 54.0 16.3 416 469 C G S >> S+ 0 0 14 -6,-1.5 4,-2.0 1,-0.3 5,-0.3 0.854 100.8 63.4 -55.8 -36.1 28.7 51.8 15.4 418 471 C D H 34 S+ 0 0 128 -7,-0.3 -1,-0.3 1,-0.2 -2,-0.2 0.650 109.1 41.0 -63.7 -14.7 27.8 54.9 13.5 419 472 C K H <> S+ 0 0 52 -3,-2.3 4,-2.2 -4,-0.2 -1,-0.2 0.674 108.7 57.5-105.1 -24.8 29.9 56.8 16.1 420 473 C I H X S+ 0 0 1 -4,-1.5 4,-1.3 2,-0.2 -2,-0.2 0.828 106.9 48.4 -76.2 -32.4 32.8 54.3 16.4 421 474 C E H < S+ 0 0 80 -4,-2.0 4,-0.4 2,-0.2 -1,-0.2 0.706 111.2 52.2 -78.5 -20.4 33.6 54.5 12.7 422 475 C A H >4 S+ 0 0 62 -5,-0.3 3,-1.6 2,-0.2 -2,-0.2 0.919 109.7 46.9 -77.1 -47.1 33.5 58.3 12.9 423 476 C L H >< S+ 0 0 15 -4,-2.2 3,-2.6 1,-0.3 -2,-0.2 0.820 98.7 72.1 -61.2 -30.4 35.9 58.2 15.9 424 477 C Q T 3< S+ 0 0 42 -4,-1.3 -1,-0.3 1,-0.3 -2,-0.2 0.842 99.3 46.8 -53.0 -32.5 37.9 55.8 13.7 425 478 C R T < S+ 0 0 222 -3,-1.6 -1,-0.3 -4,-0.4 -2,-0.2 -0.126 91.5 128.3-100.5 32.8 38.7 59.0 11.7 426 479 C H < - 0 0 53 -3,-2.6 -3,-0.1 2,-0.1 9,-0.0 -0.414 62.9-127.8 -84.2 165.5 39.5 60.9 14.9 427 480 C E S S+ 0 0 151 -2,-0.1 -1,-0.1 5,-0.1 -4,-0.0 0.944 82.2 84.4 -81.3 -52.0 42.7 62.9 15.3 428 481 C N S > S- 0 0 43 1,-0.1 4,-1.7 2,-0.1 5,-0.3 -0.266 74.1-139.2 -55.8 133.6 44.1 61.5 18.6 429 482 C E H > S+ 0 0 110 1,-0.2 4,-2.4 2,-0.2 5,-0.4 0.969 100.2 55.9 -57.8 -60.7 46.0 58.3 18.0 430 483 C S H > S+ 0 0 58 2,-0.2 4,-1.7 3,-0.2 -1,-0.2 0.847 113.8 47.1 -40.1 -40.8 44.8 56.4 21.1 431 484 C V H > S+ 0 0 0 2,-0.2 4,-2.7 1,-0.2 3,-0.5 0.997 110.8 40.7 -68.4 -80.1 41.3 57.1 19.6 432 485 C Y H X S+ 0 0 80 -4,-1.7 4,-2.6 1,-0.3 5,-0.2 0.799 118.2 52.9 -42.2 -35.3 41.2 56.2 15.9 433 486 C K H X S+ 0 0 108 -4,-2.4 4,-2.1 -5,-0.3 -1,-0.3 0.960 109.3 45.0 -67.1 -52.2 43.4 53.2 16.7 434 487 C A H X S+ 0 0 38 -4,-1.7 4,-1.8 -3,-0.5 -2,-0.2 0.908 115.5 51.9 -57.1 -41.5 41.0 51.8 19.4 435 488 C S H X S+ 0 0 0 -4,-2.7 4,-2.3 2,-0.2 3,-0.5 0.989 107.0 48.3 -57.1 -69.8 38.1 52.6 17.0 436 489 C L H X S+ 0 0 78 -4,-2.6 4,-2.2 1,-0.3 5,-0.4 0.872 108.6 55.3 -38.1 -56.0 39.5 50.7 14.0 437 490 C N H X S+ 0 0 80 -4,-2.1 4,-2.7 1,-0.2 5,-0.3 0.929 110.0 46.1 -46.0 -55.5 40.3 47.6 16.0 438 491 C L H X S+ 0 0 7 -4,-1.8 4,-2.7 -3,-0.5 5,-0.3 0.933 112.4 51.8 -53.6 -50.9 36.7 47.5 17.2 439 492 C I H X S+ 0 0 6 -4,-2.3 4,-2.4 2,-0.2 5,-0.2 0.962 118.1 33.1 -50.5 -67.6 35.3 48.0 13.7 440 493 C E H < S+ 0 0 118 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.932 122.7 47.1 -57.1 -51.7 37.2 45.3 11.9 441 494 C K H < S+ 0 0 104 -4,-2.7 -1,-0.2 -5,-0.4 -2,-0.2 0.777 129.1 20.7 -65.3 -29.4 37.3 42.9 14.8 442 495 C Y H < S+ 0 0 17 -4,-2.7 -1,-0.2 -5,-0.3 -2,-0.2 0.431 132.7 13.8-122.7 0.9 33.6 43.1 15.7 443 496 C F < 0 0 43 -4,-2.4 -3,-0.2 -5,-0.3 -4,-0.1 0.233 360.0 360.0-135.1-101.3 31.8 44.5 12.7 444 497 C S 0 0 113 -5,-0.2 -4,-0.2 0, 0.0 -3,-0.1 0.955 360.0 360.0 -49.4 360.0 32.9 44.8 9.1