==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 23-JUL-07 2Z67 . COMPND 2 MOLECULE: O-PHOSPHOSERYL-TRNA(SEC) SELENIUM TRANSFERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: METHANOCOCCUS MARIPALUDIS; . AUTHOR Y.ARAISO,R.ISHITANI,S.PAILOUER,H.OSHIKANE,N.DOMAE,D.SOLL,O.N . 1736 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 58114.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1269 73.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 96 5.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 132 7.6 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 . 9 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-1), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+0), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+1), SAME NUMBER PER 100 RESIDUES . 104 6.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 164 9.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 664 38.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 35 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 2 4 2 7 6 4 7 5 1 1 3 0 0 2 2 0 0 0 3 0 0 0 0 0 4 RESIDUES PER ALPHA HELIX . 4 4 8 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 0 PARALLEL BRIDGES PER LADDER . 16 0 8 4 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 ANTIPARALLEL BRIDGES PER LADDER . 4 6 3 0 0 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 1 A X 0 0 54 0, 0.0 1307,-1.5 0, 0.0 2,-0.5 0.000 360.0 360.0 360.0 -59.9 9.4 44.4 87.9 2 2 A L B +A 1307 0A 11 1305,-0.2 2,-0.3 2,-0.0 1305,-0.2 -0.890 360.0 161.6-105.6 126.7 8.4 45.3 84.3 3 3 A D + 0 0 118 1303,-2.3 2,-0.3 -2,-0.5 16,-0.0 -0.924 4.0 149.1-148.3 118.4 7.0 42.7 82.0 4 4 A F - 0 0 16 -2,-0.3 2,-0.5 1334,-0.0 1331,-0.0 -0.969 53.7 -83.7-145.0 157.0 5.0 43.2 78.8 5 5 A N + 0 0 64 -2,-0.3 -2,-0.0 1330,-0.2 0, 0.0 -0.483 55.5 148.4 -67.3 114.1 4.6 41.3 75.5 6 6 A I + 0 0 4 -2,-0.5 4,-0.3 4,-0.0 3,-0.2 0.359 29.6 123.5-127.5 1.5 7.4 42.3 73.2 7 7 A E + 0 0 130 1,-0.2 -2,-0.0 2,-0.1 5,-0.0 -0.189 60.3 34.7 -69.0 158.5 7.9 39.1 71.1 8 8 A G S S+ 0 0 64 2,-0.3 -1,-0.2 1,-0.0 0, 0.0 0.920 104.1 76.0 65.8 46.1 7.7 38.9 67.4 9 9 A L S S+ 0 0 28 1,-0.5 -2,-0.1 -3,-0.2 1409,-0.1 0.403 93.3 28.8-151.7 -31.8 9.1 42.3 66.8 10 10 A I S S- 0 0 15 -4,-0.3 -1,-0.5 1396,-0.0 -2,-0.3 -0.974 91.3 -86.6-139.5 149.8 12.9 42.2 67.4 11 11 A P >> - 0 0 59 0, 0.0 4,-2.0 0, 0.0 3,-0.9 -0.320 47.0-114.9 -57.0 141.1 15.6 39.5 67.0 12 12 A K H 3> S+ 0 0 149 1,-0.2 4,-1.9 2,-0.2 5,-0.2 0.809 111.5 53.6 -47.0 -45.6 15.7 37.5 70.3 13 13 A N H 3> S+ 0 0 121 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.878 111.2 47.1 -63.4 -34.1 19.3 38.5 71.3 14 14 A X H <> S+ 0 0 11 -3,-0.9 4,-2.7 2,-0.2 5,-0.2 0.889 108.6 57.1 -69.6 -38.2 18.3 42.1 71.1 15 15 A E H X S+ 0 0 29 -4,-2.0 4,-1.0 1,-0.2 -2,-0.2 0.861 108.2 46.1 -59.1 -39.1 15.2 41.3 73.0 16 16 A K H X S+ 0 0 110 -4,-1.9 4,-1.7 2,-0.2 3,-0.3 0.941 111.3 52.3 -69.3 -48.5 17.2 39.9 75.8 17 17 A R H X S+ 0 0 30 -4,-2.1 4,-2.4 1,-0.3 -2,-0.2 0.885 108.6 49.1 -55.7 -45.2 19.6 42.9 75.8 18 18 A G H X S+ 0 0 1 -4,-2.7 4,-2.0 1,-0.2 -1,-0.3 0.821 110.5 52.7 -66.0 -28.7 16.8 45.4 76.0 19 19 A E H X S+ 0 0 55 -4,-1.0 4,-1.7 -3,-0.3 -1,-0.2 0.790 109.2 48.5 -76.7 -28.6 15.4 43.4 78.9 20 20 A L H X S+ 0 0 81 -4,-1.7 4,-2.6 2,-0.2 5,-0.2 0.920 111.7 48.3 -75.5 -47.3 18.7 43.5 80.8 21 21 A V H X S+ 0 0 0 -4,-2.4 4,-2.4 1,-0.2 5,-0.2 0.941 111.4 51.8 -57.5 -48.7 19.1 47.3 80.3 22 22 A L H X S+ 0 0 3 -4,-2.0 4,-1.6 1,-0.2 -1,-0.2 0.937 111.4 45.6 -54.0 -51.6 15.6 47.8 81.5 23 23 A N H < S+ 0 0 68 -4,-1.7 4,-0.3 1,-0.2 -1,-0.2 0.900 113.1 49.8 -61.3 -41.3 16.1 45.8 84.6 24 24 A E H >< S+ 0 0 22 -4,-2.6 3,-0.8 1,-0.2 4,-0.4 0.838 109.2 52.9 -65.7 -33.6 19.4 47.5 85.4 25 25 A Y H 3< S+ 0 0 20 -4,-2.4 3,-0.2 1,-0.2 4,-0.2 0.819 110.0 48.5 -71.0 -30.5 17.8 50.9 84.9 26 26 A L T 3X S+ 0 0 1 -4,-1.6 4,-2.9 -5,-0.2 -1,-0.2 0.349 84.1 96.4 -91.7 5.2 15.1 50.0 87.4 27 27 A K H <> S+ 0 0 85 -3,-0.8 4,-3.2 -4,-0.3 5,-0.2 0.960 81.3 50.8 -57.7 -56.7 17.5 48.7 90.1 28 28 A E H > S+ 0 0 60 -4,-0.4 4,-1.1 1,-0.2 -1,-0.2 0.824 115.9 43.8 -53.0 -33.9 17.6 51.9 92.1 29 29 A I H > S+ 0 0 2 -4,-0.2 4,-1.2 2,-0.2 -1,-0.2 0.892 111.4 53.3 -77.7 -40.7 13.8 51.9 92.1 30 30 A E H X S+ 0 0 62 -4,-2.9 4,-1.9 1,-0.2 -2,-0.2 0.876 107.3 53.7 -60.3 -37.4 13.7 48.2 92.9 31 31 A D H X>S+ 0 0 53 -4,-3.2 4,-3.4 1,-0.2 5,-1.0 0.857 99.0 59.5 -67.9 -36.5 16.0 48.8 95.9 32 32 A V H X5S+ 0 0 4 -4,-1.1 4,-0.7 -5,-0.2 -1,-0.2 0.886 111.3 43.5 -59.1 -37.5 13.8 51.5 97.4 33 33 A F H <5S+ 0 0 0 -4,-1.2 -2,-0.2 -3,-0.2 -1,-0.2 0.865 122.3 35.9 -76.1 -39.3 11.0 48.9 97.6 34 34 A N H <5S+ 0 0 64 -4,-1.9 -2,-0.2 -5,-0.1 -3,-0.2 0.913 131.4 27.7 -82.5 -42.6 13.1 46.0 98.9 35 35 A H H <5S- 0 0 110 -4,-3.4 -3,-0.2 -5,-0.2 -2,-0.1 0.849 79.2-159.2 -88.0 -36.9 15.5 47.9 101.2 36 36 A R << + 0 0 38 -5,-1.0 2,-0.3 -4,-0.7 85,-0.2 0.850 52.3 115.7 58.9 37.3 13.4 50.9 102.2 37 37 A K S S- 0 0 122 -6,-0.3 -1,-0.2 84,-0.1 81,-0.2 -0.868 79.0 -85.7-131.2 162.4 16.4 52.9 103.1 38 38 A I - 0 0 6 80,-0.4 2,-0.2 -2,-0.3 283,-0.1 -0.525 53.8-118.5 -68.6 129.6 18.1 56.0 101.9 39 39 A P - 0 0 32 0, 0.0 286,-1.5 0, 0.0 287,-0.3 -0.503 7.2-127.7 -75.6 139.9 20.4 55.0 99.0 40 40 A E S S+ 0 0 136 284,-0.2 286,-2.2 -2,-0.2 287,-0.4 0.893 100.1 46.0 -47.1 -43.7 24.2 55.6 99.2 41 41 A N S S- 0 0 71 283,-0.2 283,-0.2 284,-0.1 2,-0.1 -0.819 95.0-109.7-107.4 144.4 23.8 57.4 95.9 42 42 A G - 0 0 28 281,-0.5 2,-0.4 -2,-0.3 280,-0.2 -0.380 28.9-130.9 -69.3 144.8 21.2 59.9 94.8 43 43 A I - 0 0 7 278,-2.8 -1,-0.1 -2,-0.1 5,-0.0 -0.793 27.1-107.9 -97.7 138.3 18.7 58.8 92.3 44 44 A D >> - 0 0 68 -2,-0.4 4,-1.6 1,-0.1 3,-0.7 -0.293 29.6-111.5 -65.1 150.0 18.0 61.1 89.2 45 45 A D H 3> S+ 0 0 45 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.807 112.4 61.1 -51.1 -36.0 14.8 63.0 89.2 46 46 A E H 3> S+ 0 0 82 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.932 106.2 44.4 -61.7 -45.5 13.4 61.1 86.3 47 47 A K H <> S+ 0 0 10 -3,-0.7 4,-2.5 1,-0.2 -1,-0.2 0.829 109.8 57.4 -68.3 -31.0 13.5 57.7 88.1 48 48 A I H X S+ 0 0 2 -4,-1.6 4,-2.1 2,-0.2 -1,-0.2 0.918 106.6 48.7 -65.3 -40.4 12.0 59.4 91.2 49 49 A K H X S+ 0 0 81 -4,-2.2 4,-2.1 2,-0.2 -2,-0.2 0.924 111.0 49.8 -64.2 -43.8 9.0 60.6 89.2 50 50 A L H X S+ 0 0 10 -4,-1.9 4,-2.5 1,-0.2 5,-0.3 0.950 109.2 52.4 -57.9 -51.0 8.5 57.1 87.8 51 51 A F H X S+ 0 0 3 -4,-2.5 4,-1.1 1,-0.3 -1,-0.2 0.902 110.7 47.3 -51.5 -44.4 8.7 55.6 91.3 52 52 A L H X S+ 0 0 4 -4,-2.1 4,-2.9 1,-0.2 -1,-0.3 0.845 109.1 56.0 -67.9 -32.2 6.0 58.1 92.4 53 53 A K H X S+ 0 0 26 -4,-2.1 4,-2.0 2,-0.2 -2,-0.2 0.903 100.5 55.6 -66.3 -44.7 3.9 57.2 89.4 54 54 A F H < S+ 0 0 0 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.853 114.8 43.6 -57.4 -32.4 3.9 53.4 90.2 55 55 A L H >X S+ 0 0 0 -4,-1.1 3,-2.2 -5,-0.3 4,-0.5 0.937 108.4 52.7 -80.9 -47.6 2.5 54.5 93.6 56 56 A S H >< S+ 0 0 2 -4,-2.9 3,-1.2 1,-0.3 6,-0.2 0.822 99.4 67.2 -58.1 -30.1 -0.1 57.1 92.5 57 57 A X T 3< S+ 0 0 0 -4,-2.0 -1,-0.3 1,-0.3 1273,-0.2 0.624 93.7 59.9 -65.9 -12.7 -1.6 54.5 90.1 58 58 A X T <4 S+ 0 0 10 -3,-2.2 48,-0.6 -5,-0.1 -1,-0.3 0.684 77.7 107.9 -88.8 -19.5 -2.7 52.5 93.1 59 59 A D B X< S-B 105 0B 0 -3,-1.2 3,-1.3 -4,-0.5 46,-0.2 -0.296 80.8-118.6 -58.7 144.2 -4.9 55.2 94.5 60 60 A T G > S+ 0 0 10 44,-1.9 3,-0.6 1,-0.2 -1,-0.1 0.604 106.2 62.9 -61.9 -17.2 -8.6 54.4 94.1 61 61 A D G 3 S+ 0 0 21 43,-0.3 -1,-0.2 1,-0.2 -4,-0.1 0.692 91.5 64.3 -84.1 -19.3 -9.4 57.5 91.9 62 62 A K G < S+ 0 0 20 -3,-1.3 -1,-0.2 -6,-0.2 -2,-0.2 0.384 75.9 114.2 -83.1 3.4 -7.1 56.4 89.1 63 63 A D X - 0 0 14 -3,-0.6 3,-1.0 1,-0.2 1264,-0.1 -0.683 50.4-166.1 -80.5 109.5 -9.3 53.3 88.5 64 64 A P T 3 S+ 0 0 79 0, 0.0 -1,-0.2 0, 0.0 1262,-0.0 0.867 83.6 54.1 -63.0 -42.6 -11.1 53.6 85.1 65 65 A K T 3 S+ 0 0 91 1261,-0.1 2,-0.1 2,-0.1 -2,-0.1 0.484 87.9 114.8 -74.6 -0.2 -13.7 50.9 85.6 66 66 A S < - 0 0 9 -3,-1.0 2,-0.7 -6,-0.1 755,-0.2 -0.406 62.0-140.6 -76.9 146.2 -14.9 52.5 88.8 67 67 A V E -c 821 0C 4 753,-2.4 755,-2.1 -2,-0.1 2,-0.9 -0.886 21.9-157.0-107.6 100.8 -18.4 54.1 89.3 68 68 A R E +c 822 0C 32 -2,-0.7 787,-0.4 753,-0.2 755,-0.1 -0.672 40.5 134.5 -87.8 98.5 -17.8 57.3 91.4 69 69 A I + 0 0 1 753,-1.8 780,-2.3 -2,-0.9 754,-0.1 -0.052 38.6 124.5-130.6 33.4 -20.8 58.5 93.3 70 70 A G S S- 0 0 3 752,-0.2 3,-0.5 778,-0.1 781,-0.3 -0.385 71.4-113.1 -91.4 171.1 -19.3 59.2 96.7 71 71 A E S S+ 0 0 62 752,-0.4 2,-0.1 1,-0.3 -1,-0.1 0.757 112.6 24.9 -71.1 -27.3 -19.1 62.4 98.8 72 72 A R + 0 0 31 1,-0.1 -1,-0.3 779,-0.1 641,-0.1 -0.579 65.4 158.0-142.8 74.2 -15.4 62.8 98.3 73 73 A E - 0 0 14 -3,-0.5 -1,-0.1 -2,-0.1 -2,-0.1 0.467 53.7-123.4 -77.2 -5.1 -14.2 61.1 95.1 74 74 A A + 0 0 7 1,-0.2 2,-0.1 643,-0.1 15,-0.1 0.887 44.3 178.7 63.1 38.2 -11.1 63.3 94.9 75 75 A R - 0 0 37 637,-0.1 2,-0.4 643,-0.0 -1,-0.2 -0.467 12.4-153.1 -71.1 147.1 -12.0 64.5 91.4 76 76 A T - 0 0 41 -2,-0.1 641,-0.2 1,-0.1 640,-0.1 -0.953 15.4-160.5-125.3 142.8 -9.6 67.0 89.9 77 77 A Y S S+ 0 0 77 639,-1.6 2,-0.3 -2,-0.4 -1,-0.1 0.871 73.8 39.5 -90.7 -38.4 -10.2 69.7 87.4 78 78 A S >> - 0 0 2 638,-0.3 3,-1.1 1,-0.1 4,-0.9 -0.859 69.4-132.0-116.2 148.9 -6.8 70.5 86.0 79 79 A K H 3> S+ 0 0 136 -2,-0.3 4,-0.9 1,-0.3 5,-0.1 0.759 109.2 68.2 -64.6 -23.0 -3.8 68.3 85.1 80 80 A I H 3> S+ 0 0 5 1,-0.2 4,-2.6 2,-0.2 3,-0.5 0.860 91.9 60.3 -64.1 -32.9 -1.8 70.7 87.1 81 81 A H H <> S+ 0 0 0 -3,-1.1 4,-1.6 1,-0.3 6,-0.3 0.954 103.7 47.9 -58.1 -51.5 -3.6 69.4 90.1 82 82 A E H <>S+ 0 0 49 -4,-0.9 5,-1.0 1,-0.2 -1,-0.3 0.675 113.1 51.7 -64.4 -16.1 -2.2 65.9 89.6 83 83 A E H ><5S+ 0 0 58 -4,-0.9 3,-0.7 -3,-0.5 -1,-0.2 0.863 108.0 47.0 -87.7 -41.8 1.2 67.5 89.1 84 84 A L H 3<5S+ 0 0 4 -4,-2.6 -2,-0.2 1,-0.2 -3,-0.1 0.740 119.3 42.3 -73.1 -21.9 1.3 69.6 92.3 85 85 A S T ><5S- 0 0 3 -4,-1.6 3,-2.0 -5,-0.2 -1,-0.2 0.339 107.3-126.9-102.7 1.9 0.1 66.6 94.3 86 86 A S T < 5S- 0 0 24 -3,-0.7 -30,-0.2 1,-0.3 -3,-0.2 0.742 72.5 -53.4 57.2 24.7 2.4 64.2 92.5 87 87 A G T 3 -E 97 0E 104 3,-1.8 3,-1.6 6,-0.8 2,-0.2 -0.475 69.5 -64.0 -89.3 168.0 -7.3 58.7 107.4 95 95 A S T 3 S- 0 0 21 1,-0.3 212,-0.2 -2,-0.2 -1,-0.2 -0.344 123.2 -1.5 -56.8 120.1 -9.4 61.2 109.2 96 96 A G T 3 S+ 0 0 1 210,-0.9 -1,-0.3 208,-0.2 211,-0.1 0.843 122.4 76.5 67.9 36.2 -7.6 62.1 112.4 97 97 A N B X -E 94 0E 33 -3,-1.6 -3,-1.8 209,-0.5 3,-0.8 -0.401 51.6-177.0-175.9 89.8 -4.7 59.7 112.0 98 98 A L T 3 S+ 0 0 2 203,-1.4 -5,-0.2 -5,-0.2 4,-0.1 0.951 83.6 47.3 -54.5 -64.9 -1.8 60.6 109.6 99 99 A V T 3 S+ 0 0 62 -6,-0.1 -1,-0.2 199,-0.1 203,-0.1 0.436 93.0 98.2 -63.6 -0.7 0.4 57.5 109.7 100 100 A D S < S- 0 0 56 -3,-0.8 -6,-0.8 -6,-0.2 -3,-0.1 -0.814 85.7-107.7 -94.7 124.3 -2.6 55.3 109.3 101 101 A P - 0 0 25 0, 0.0 5,-0.1 0, 0.0 -2,-0.1 -0.195 25.4-128.7 -54.0 132.3 -3.3 54.0 105.7 102 102 A Q > - 0 0 9 3,-0.5 3,-2.7 1,-0.1 7,-0.2 -0.730 6.3-148.2 -85.7 112.7 -6.2 55.5 103.8 103 103 A P T 3 S+ 0 0 20 0, 0.0 3,-0.3 0, 0.0 -1,-0.1 0.725 99.4 56.6 -52.3 -21.6 -8.5 52.8 102.4 104 104 A K T 3 S+ 0 0 81 1,-0.2 -44,-1.9 -14,-0.1 -43,-0.3 0.628 113.9 37.5 -85.7 -14.4 -9.2 55.2 99.5 105 105 A A B <> +B 59 0B 0 -3,-2.7 4,-1.9 -46,-0.2 -3,-0.5 -0.673 52.1 166.7-142.9 87.2 -5.5 55.6 98.6 106 106 A S H > S+ 0 0 5 -48,-0.6 4,-2.3 -3,-0.3 -47,-0.2 0.832 83.8 55.8 -66.6 -31.1 -3.2 52.6 98.8 107 107 A G H > S+ 0 0 0 2,-0.2 4,-3.1 1,-0.2 5,-0.2 0.968 108.1 43.7 -65.7 -54.8 -0.6 54.5 96.8 108 108 A A H > S+ 0 0 0 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.896 116.2 50.4 -56.6 -42.0 -0.4 57.6 99.1 109 109 A S H X S+ 0 0 7 -4,-1.9 4,-2.2 -7,-0.2 -1,-0.2 0.883 110.9 48.0 -65.2 -40.2 -0.3 55.2 102.0 110 110 A I H X S+ 0 0 2 -4,-2.3 4,-2.6 2,-0.2 -2,-0.2 0.956 114.2 46.5 -65.0 -49.4 2.4 53.1 100.6 111 111 A X H X S+ 0 0 0 -4,-3.1 4,-2.9 2,-0.2 -2,-0.2 0.924 111.7 50.6 -59.6 -44.9 4.5 56.2 99.7 112 112 A Y H X S+ 0 0 7 -4,-2.8 4,-2.3 1,-0.2 -1,-0.2 0.937 112.0 48.2 -57.7 -48.5 4.0 57.7 103.2 113 113 A A H X S+ 0 0 24 -4,-2.2 4,-2.0 2,-0.2 -1,-0.2 0.896 111.7 48.5 -60.7 -42.8 5.0 54.5 104.8 114 114 A L H X S+ 0 0 0 -4,-2.6 4,-3.3 1,-0.2 5,-0.3 0.940 109.8 53.8 -62.7 -44.9 8.1 54.2 102.7 115 115 A T H X S+ 0 0 0 -4,-2.9 4,-2.6 1,-0.2 -2,-0.2 0.893 108.2 48.7 -56.5 -44.1 9.0 57.8 103.4 116 116 A N H X S+ 0 0 11 -4,-2.3 4,-2.0 2,-0.2 16,-0.3 0.896 114.3 45.4 -66.3 -36.8 8.8 57.2 107.2 117 117 A K H X S+ 0 0 89 -4,-2.0 4,-1.3 2,-0.2 -2,-0.2 0.900 115.3 46.7 -72.5 -38.7 11.0 54.1 106.9 118 118 A I H X S+ 0 0 0 -4,-3.3 4,-0.8 2,-0.2 -80,-0.4 0.857 111.0 52.2 -69.9 -35.3 13.5 55.8 104.7 119 119 A L H >X S+ 0 0 0 -4,-2.6 4,-1.7 -5,-0.3 3,-0.8 0.926 108.7 52.7 -64.9 -40.6 13.5 58.8 107.0 120 120 A E H 3X S+ 0 0 48 -4,-2.0 4,-2.0 1,-0.2 10,-0.3 0.787 106.2 51.2 -65.5 -27.0 14.2 56.4 109.8 121 121 A S H 3X S+ 0 0 12 -4,-1.3 4,-0.9 -85,-0.2 -1,-0.2 0.635 105.9 57.2 -84.5 -13.7 17.2 54.8 108.0 122 122 A F H <>S+ 0 0 0 -4,-1.7 5,-2.3 2,-0.2 3,-1.9 0.945 109.9 55.8 -68.2 -48.8 18.5 59.0 111.3 124 124 A K H ><5S+ 0 0 127 -4,-2.0 3,-1.1 1,-0.3 -1,-0.2 0.870 106.7 52.2 -50.6 -38.5 20.0 55.6 112.0 125 125 A Q H 3<5S+ 0 0 107 -4,-0.9 -1,-0.3 1,-0.3 -2,-0.2 0.677 106.3 52.8 -74.0 -16.0 22.9 56.5 109.7 126 126 A L T <<5S- 0 0 22 -3,-1.9 -1,-0.3 -4,-0.5 -2,-0.2 0.362 130.0 -94.9 -96.7 1.8 23.4 59.8 111.6 127 127 A G T < 5S+ 0 0 36 -3,-1.1 2,-0.6 -4,-0.5 -3,-0.2 0.500 90.6 115.7 100.4 3.4 23.6 57.8 114.9 128 128 A L < - 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0 0 40 -24,-0.3 4,-1.6 -23,-0.3 3,-0.5 -0.771 51.5-176.7 -98.6 95.7 -16.1 90.3 109.1 729 294 B A H > S+ 0 0 29 -2,-0.9 4,-1.3 1,-0.2 -1,-0.2 0.816 85.8 62.0 -57.7 -27.7 -12.7 91.3 107.5 730 295 B E H > S+ 0 0 131 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.920 103.0 45.8 -64.8 -46.0 -11.6 91.7 111.1 731 296 B F H > S+ 0 0 0 -3,-0.5 4,-1.5 1,-0.2 -1,-0.2 0.812 109.1 55.3 -69.7 -29.4 -12.1 88.0 112.0 732 297 B I H X S+ 0 0 13 -4,-1.6 4,-1.4 2,-0.2 -1,-0.2 0.817 105.3 54.6 -70.9 -29.8 -10.5 86.8 108.8 733 298 B K H < S+ 0 0 139 -4,-1.3 4,-0.3 -5,-0.2 -2,-0.2 0.924 108.4 47.2 -68.7 -43.7 -7.3 88.8 109.7 734 299 B E H >< S+ 0 0 46 -4,-1.5 3,-1.0 1,-0.2 -1,-0.2 0.824 106.4 59.5 -66.3 -33.0 -7.1 87.1 113.1 735 300 B I H >< S+ 0 0 4 -4,-1.5 3,-1.4 1,-0.3 -1,-0.2 0.879 101.1 53.2 -64.4 -38.7 -7.6 83.7 111.5 736 301 B S T 3< S+ 0 0 3 -4,-1.4 -203,-2.0 1,-0.3 3,-0.3 0.581 104.3 58.7 -73.6 -6.8 -4.5 84.1 109.3 737 302 B L T < S+ 0 0 50 -3,-1.0 -1,-0.3 -4,-0.3 -2,-0.2 0.078 91.1 73.0-105.9 20.4 -2.6 84.9 112.5 738 303 B S < + 0 0 1 -3,-1.4 -1,-0.2 2,-0.1 -2,-0.1 0.435 68.0 95.1-113.1 -2.5 -3.4 81.5 114.1 739 304 B Y S S- 0 0 4 -3,-0.3 -208,-0.6 -208,-0.2 2,-0.3 -0.800 76.0-131.8 -93.6 107.0 -1.2 79.2 112.0 740 305 B P - 0 0 0 0, 0.0 -599,-0.7 0, 0.0 -572,-0.1 -0.398 68.1 -14.7 -61.7 119.0 2.0 78.6 114.0 741 306 B G S S- 0 0 3 -2,-0.3 -210,-1.0 -601,-0.2 2,-0.3 -0.263 102.6 -35.4 87.1-173.4 4.9 79.1 111.6 742 307 B R - 0 0 19 -212,-0.2 2,-0.2 -211,-0.1 -457,-0.1 -0.675 58.0-140.7 -91.7 140.9 5.2 79.3 107.8 743 308 B A B -U 527 0L 0 -216,-0.9 -216,-1.6 -2,-0.3 -457,-0.1 -0.578 19.3 -99.4-102.7 162.9 3.0 77.2 105.5 744 309 B S - 0 0 12 -459,-0.3 4,-0.2 -218,-0.2 -459,-0.2 -0.369 24.0-144.1 -69.8 152.4 3.5 75.4 102.2 745 310 B A S >> S+ 0 0 2 -222,-0.4 4,-1.6 -461,-0.4 3,-1.6 0.852 79.0 86.1 -87.8 -37.7 2.3 77.2 99.1 746 311 B T H 3> S+ 0 0 0 1,-0.3 4,-2.7 2,-0.2 5,-0.2 0.740 85.6 47.9 -32.8 -57.4 0.9 74.2 97.2 747 312 B P H 3> S+ 0 0 4 0, 0.0 4,-1.2 0, 0.0 -1,-0.3 0.877 113.6 50.0 -62.4 -29.3 -2.6 73.9 98.6 748 313 B V H <> S+ 0 0 0 -3,-1.6 4,-1.3 -4,-0.2 -2,-0.2 0.835 111.6 48.0 -73.4 -32.6 -3.1 77.6 98.0 749 314 B V H X S+ 0 0 0 -4,-1.6 4,-3.0 2,-0.2 5,-0.2 0.871 106.2 57.9 -73.0 -37.8 -1.8 77.3 94.4 750 315 B N H X S+ 0 0 4 -4,-2.7 4,-1.6 1,-0.2 -2,-0.2 0.860 107.3 49.0 -59.9 -33.8 -4.1 74.3 93.9 751 316 B T H X S+ 0 0 0 -4,-1.2 4,-1.9 -5,-0.2 -1,-0.2 0.864 110.6 48.8 -74.1 -34.9 -7.0 76.5 94.8 752 317 B L H X S+ 0 0 1 -4,-1.3 4,-2.4 2,-0.2 5,-0.3 0.911 108.5 53.8 -70.3 -42.5 -5.8 79.3 92.4 753 318 B V H X S+ 0 0 0 -4,-3.0 4,-3.0 1,-0.2 5,-0.3 0.903 107.8 51.7 -57.6 -42.4 -5.4 76.8 89.6 754 319 B S H X S+ 0 0 0 -4,-1.6 4,-2.5 -5,-0.2 5,-0.4 0.938 109.8 48.1 -59.8 -49.6 -9.0 75.6 90.1 755 320 B L H X S+ 0 0 2 -4,-1.9 4,-1.2 1,-0.2 -2,-0.2 0.894 119.9 37.8 -60.5 -40.6 -10.4 79.2 89.9 756 321 B L H < S+ 0 0 1 -4,-2.4 -278,-2.9 2,-0.2 -2,-0.2 0.840 116.5 51.5 -79.0 -35.2 -8.4 80.0 86.7 757 322 B S H < S+ 0 0 12 -4,-3.0 -2,-0.2 -5,-0.3 -3,-0.2 0.882 118.6 35.2 -69.8 -41.7 -8.8 76.6 85.1 758 323 B X H X S- 0 0 2 -4,-2.5 4,-0.6 -5,-0.3 -281,-0.4 0.980 88.8-162.2 -78.4 -63.1 -12.6 76.4 85.6 759 324 B G H X - 0 0 0 -4,-1.2 4,-1.5 -5,-0.4 -284,-0.2 -0.106 40.3 -81.2 92.9 159.6 -13.7 80.0 85.1 760 325 B S H > S+ 0 0 19 -286,-2.6 4,-2.0 2,-0.2 -285,-0.2 0.890 128.1 53.1 -64.9 -40.2 -17.1 81.4 86.2 761 326 B K H >> S+ 0 0 96 -286,-1.9 4,-1.5 -287,-0.3 3,-0.7 0.993 108.9 44.9 -58.6 -69.2 -18.8 80.0 83.1 762 327 B N H 3X S+ 0 0 60 -4,-0.6 4,-1.8 -287,-0.4 -1,-0.2 0.822 111.1 57.8 -44.8 -36.7 -17.7 76.3 83.4 763 328 B Y H 3X S+ 0 0 2 -4,-1.5 4,-2.1 1,-0.2 -1,-0.3 0.944 101.9 52.0 -63.4 -47.4 -18.5 76.4 87.1 764 329 B L H X>S+ 0 0 5 -4,-1.9 5,-2.2 -3,-0.2 4,-1.5 0.834 100.3 61.2 -72.1 -31.0 -38.1 51.7 95.7 786 351 B K H 3<5S+ 0 0 151 -4,-1.6 -1,-0.2 1,-0.2 -2,-0.2 0.906 116.5 32.7 -60.2 -39.9 -41.5 51.0 94.1 787 352 B K T 3<5S+ 0 0 116 -4,-1.2 -1,-0.2 1,-0.1 -2,-0.2 0.239 117.4 56.0-101.6 11.8 -40.2 47.6 93.0 788 353 B T T <45S- 0 0 59 -3,-0.9 -3,-0.2 -4,-0.2 -2,-0.2 0.794 128.0 -69.5-108.6 -47.0 -37.9 46.9 96.0 789 354 B G T <5S- 0 0 55 -4,-1.5 -3,-0.1 -5,-0.1 -4,-0.1 0.138 81.3-110.7 161.4 5.8 -39.9 47.1 99.2 790 355 B G < + 0 0 20 -5,-2.2 14,-0.1 -6,-0.3 -4,-0.1 0.088 64.2 120.0 74.8 176.6 -40.4 50.8 99.0 791 356 B K - 0 0 90 1,-0.2 13,-2.2 12,-0.1 2,-1.1 0.943 25.8-168.4 84.8 90.6 -39.3 53.9 100.8 792 357 B F B -E 803 0P 51 11,-0.2 11,-0.2 -10,-0.0 -1,-0.2 -0.874 44.3-121.8 -96.4 95.2 -37.4 56.8 99.1 793 358 B L - 0 0 2 -2,-1.1 2,-1.1 9,-1.0 9,-0.4 0.016 11.2-119.7 -46.7 144.9 -36.5 58.5 102.4 794 359 B D + 0 0 101 7,-0.1 2,-0.3 2,-0.0 -169,-0.2 -0.730 51.2 156.3 -91.1 93.6 -37.6 62.1 103.0 795 360 B V - 0 0 18 -2,-1.1 -169,-0.1 2,-0.1 -135,-0.1 -0.925 47.4-134.2-125.0 148.8 -34.3 64.0 103.6 796 361 B E + 0 0 37 -138,-0.3 -1,-0.1 -2,-0.3 -135,-0.1 0.703 62.8 122.8 -68.1 -26.4 -33.2 67.6 103.2 797 362 B S - 0 0 7 -139,-0.2 -2,-0.1 1,-0.2 -140,-0.1 -0.091 45.6-162.7 -47.2 127.4 -29.9 66.9 101.4 798 363 B P S S+ 0 0 21 0, 0.0 -1,-0.2 0, 0.0 3,-0.1 0.627 92.3 35.2 -85.5 -14.5 -29.6 68.7 98.0 799 364 B I S S+ 0 0 3 1,-0.2 51,-1.9 -110,-0.1 2,-0.4 0.661 116.0 50.0-111.5 -22.6 -26.8 66.4 96.9 800 365 B A E - F 0 849P 0 49,-0.2 2,-0.3 50,-0.1 49,-0.2 -0.935 55.0-172.8-126.3 145.3 -27.7 63.0 98.5 801 366 B S E - F 0 848P 1 47,-1.5 47,-1.8 -2,-0.4 2,-0.3 -0.964 13.1-142.0-132.3 149.9 -30.7 60.8 98.6 802 367 B C E - F 0 847P 1 -9,-0.4 -9,-1.0 -2,-0.3 2,-0.4 -0.848 9.2-165.2-119.1 150.4 -31.5 57.6 100.5 803 368 B I E -EF 792 846P 2 43,-2.6 43,-2.6 -2,-0.3 2,-0.2 -0.997 23.2-133.1-128.8 126.8 -33.4 54.3 99.9 804 369 B S E - F 0 845P 11 -13,-2.2 2,-0.3 -2,-0.4 41,-0.3 -0.568 24.1-150.9 -78.7 145.7 -34.3 52.0 102.8 805 370 B V - 0 0 19 39,-2.3 39,-0.4 -2,-0.2 -16,-0.0 -0.843 19.7-134.4-119.7 157.5 -33.5 48.3 102.4 806 371 B N S S+ 0 0 117 -2,-0.3 2,-0.3 -18,-0.1 39,-0.1 0.217 86.0 38.6 -93.2 14.4 -35.0 45.1 103.7 807 372 B S S S- 0 0 67 37,-0.1 -2,-0.1 0, 0.0 5,-0.1 -0.931 108.4 -41.1-152.5 173.9 -31.7 43.5 104.6 808 373 B D > - 0 0 52 -2,-0.3 4,-1.6 1,-0.1 5,-0.1 -0.145 45.0-158.5 -45.9 116.9 -28.2 44.2 106.1 809 374 B P H > S+ 0 0 1 0, 0.0 4,-3.2 0, 0.0 5,-0.3 0.871 88.4 57.4 -65.6 -43.6 -27.0 47.6 104.7 810 375 B V H > S+ 0 0 74 1,-0.2 4,-1.3 2,-0.2 5,-0.1 0.902 108.2 49.0 -55.4 -43.7 -23.3 46.9 105.4 811 376 B E H > S+ 0 0 100 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.934 112.5 46.6 -62.7 -49.1 -23.5 43.8 103.3 812 377 B I H X S+ 0 0 12 -4,-1.6 4,-2.3 1,-0.2 -2,-0.2 0.930 111.3 50.6 -60.7 -47.3 -25.3 45.6 100.4 813 378 B A H X S+ 0 0 17 -4,-3.2 4,-2.5 1,-0.2 -1,-0.2 0.787 111.5 51.4 -61.3 -26.6 -22.8 48.5 100.5 814 379 B A H X S+ 0 0 53 -4,-1.3 4,-2.2 -5,-0.3 -1,-0.2 0.828 106.4 51.2 -79.3 -34.6 -20.1 45.8 100.3 815 380 B K H X S+ 0 0 94 -4,-2.0 4,-0.8 2,-0.2 -2,-0.2 0.879 113.8 47.4 -68.2 -35.9 -21.6 44.1 97.3 816 381 B L H ><>S+ 0 0 0 -4,-2.3 5,-1.7 2,-0.2 3,-1.5 0.970 110.0 50.3 -65.9 -54.6 -21.6 47.5 95.7 817 382 B Y H ><5S+ 0 0 76 -4,-2.5 3,-1.1 1,-0.3 -2,-0.2 0.868 109.1 53.3 -50.3 -41.8 -18.1 48.2 96.7 818 383 B N H 3<5S+ 0 0 129 -4,-2.2 -1,-0.3 1,-0.3 -2,-0.2 0.744 102.0 61.1 -66.7 -24.6 -17.1 44.9 95.2 819 384 B L T <<5S- 0 0 46 -3,-1.5 -1,-0.3 -4,-0.8 -2,-0.2 -0.004 126.2 -95.6 -94.4 29.4 -18.8 45.9 92.0 820 385 B R T < 5S+ 0 0 92 -3,-1.1 -753,-2.4 1,-0.2 2,-0.5 0.395 85.2 132.5 75.7 -3.7 -16.6 48.9 91.4 821 386 B V E < -c 67 0C 1 -5,-1.7 2,-0.4 -755,-0.2 -1,-0.2 -0.698 34.4-173.7 -83.4 127.2 -19.0 51.3 93.0 822 387 B T E +c 68 0C 13 -755,-2.1 -753,-1.8 -2,-0.5 -752,-0.2 -0.954 53.1 32.4-125.6 142.1 -17.4 53.7 95.4 823 388 B G S S+ 0 0 21 -2,-0.4 -752,-0.4 1,-0.4 -1,-0.1 -0.101 75.5 118.4 112.8 -37.8 -18.8 56.2 97.8 824 389 B P - 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0 0 17 -2,-0.4 141,-0.1 4,-0.2 6,-0.0 -0.935 58.1 -57.8-155.0 172.1 36.7 57.9 59.6 1092 222 C F > - 0 0 36 -2,-0.3 3,-1.4 1,-0.1 190,-0.0 -0.270 63.2 -90.9 -62.8 146.9 37.9 54.8 61.6 1093 223 C P T 3 S+ 0 0 1 0, 0.0 138,-0.5 0, 0.0 -31,-0.3 0.606 117.0 56.3 -19.9 -66.1 41.6 54.3 62.4 1094 224 C P T 3 S+ 0 0 0 0, 0.0 -32,-2.4 0, 0.0 2,-0.2 0.923 101.7 70.8 -44.6 -48.5 43.0 52.1 59.6 1095 225 C R B < S-r 1062 0U 5 -3,-1.4 -4,-0.2 -34,-0.2 137,-0.2 -0.484 79.7-143.0 -73.4 129.4 41.8 54.8 57.2 1096 226 C N - 0 0 21 -34,-2.8 2,-0.2 -2,-0.2 -32,-0.1 -0.411 34.0 -93.4 -81.2 167.1 43.7 58.2 57.2 1097 227 C S - 0 0 14 -2,-0.1 -8,-0.2 1,-0.1 -33,-0.1 -0.573 52.6-101.4 -75.8 149.2 41.7 61.4 56.7 1098 228 C D - 0 0 2 -10,-2.7 2,-3.3 -2,-0.2 3,-0.2 -0.405 40.9 -95.4 -69.8 153.6 41.8 62.2 53.0 1099 229 C D > + 0 0 68 -35,-0.4 4,-2.9 1,-0.2 3,-0.3 -0.372 54.1 175.8 -70.7 72.1 44.3 64.9 52.1 1100 230 C I H > S+ 0 0 0 -2,-3.3 4,-2.1 1,-0.2 -1,-0.2 0.813 72.9 51.3 -45.7 -43.3 41.5 67.6 52.3 1101 231 C V H > S+ 0 0 23 2,-0.2 4,-1.3 -3,-0.2 -1,-0.2 0.927 113.3 42.7 -66.8 -44.8 43.9 70.4 51.7 1102 232 C E H > S+ 0 0 81 -3,-0.3 4,-2.2 2,-0.2 -2,-0.2 0.888 113.6 52.5 -68.9 -38.2 45.5 69.0 48.6 1103 233 C I H X S+ 0 0 1 -4,-2.9 4,-2.6 1,-0.2 -1,-0.2 0.907 107.4 53.7 -62.6 -40.2 42.1 67.9 47.3 1104 234 C A H X S+ 0 0 0 -4,-2.1 34,-1.5 -5,-0.3 4,-0.9 0.811 106.5 51.3 -64.2 -33.3 40.9 71.4 47.8 1105 235 C K H >X S+ 0 0 63 -4,-1.3 4,-1.9 2,-0.2 3,-0.9 0.973 110.7 48.7 -66.3 -54.5 43.7 72.8 45.7 1106 236 C I H >X S+ 0 0 12 -4,-2.2 4,-2.4 1,-0.3 3,-0.5 0.928 110.6 49.0 -48.6 -56.7 42.9 70.5 42.9 1107 237 C C H 3X>S+ 0 0 0 -4,-2.6 5,-2.1 1,-0.3 4,-0.6 0.739 108.5 56.2 -59.3 -22.7 39.2 71.3 42.9 1108 238 C E H <<5S+ 0 0 102 -4,-0.9 -1,-0.3 -3,-0.9 -2,-0.2 0.872 109.4 46.0 -74.5 -38.2 40.2 75.0 42.9 1109 239 C N H <<5S+ 0 0 131 -4,-1.9 -2,-0.2 -3,-0.5 -3,-0.1 0.882 117.3 40.9 -71.4 -41.9 42.2 74.4 39.7 1110 240 C Y H <5S- 0 0 66 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.538 104.3-125.3 -85.6 -6.8 39.6 72.4 37.9 1111 241 C D T <5 + 0 0 119 -4,-0.6 -3,-0.2 -5,-0.3 -4,-0.1 0.950 61.8 148.4 60.7 47.4 36.8 74.7 39.0 1112 242 C I < - 0 0 14 -5,-2.1 -1,-0.2 -6,-0.1 -28,-0.1 -0.892 51.4-103.7-116.5 141.7 35.1 71.5 40.3 1113 243 C P - 0 0 3 0, 0.0 -28,-2.4 0, 0.0 2,-0.4 -0.342 30.3-157.9 -67.0 148.1 32.8 71.3 43.4 1114 244 C H E -n 1085 0T 0 -30,-0.2 27,-1.6 -28,-0.1 26,-1.4 -0.976 9.8-177.0-131.1 119.5 34.2 69.8 46.7 1115 245 C I E -no10861141T 0 -30,-4.0 -28,-2.2 -2,-0.4 2,-0.6 -0.952 12.8-152.2-117.1 135.4 32.0 68.4 49.4 1116 246 C I E -no10871142T 0 25,-3.0 27,-2.5 -2,-0.4 2,-1.1 -0.920 10.3-148.1-115.3 119.9 33.5 67.1 52.7 1117 247 C N E +no10881143T 10 -30,-3.4 -28,-2.1 -2,-0.6 -27,-1.0 -0.707 31.8 162.1 -78.9 102.4 32.1 64.4 54.9 1118 248 C G > + 0 0 0 25,-2.3 3,-1.7 -2,-1.1 4,-0.5 -0.405 0.5 163.0-122.0 55.6 33.3 65.7 58.2 1119 249 C A T 3 S+ 0 0 7 -29,-0.3 26,-1.4 1,-0.3 3,-0.3 0.874 81.0 14.1 -38.7 -64.2 31.0 63.8 60.5 1120 250 C Y T 3 S+ 0 0 6 24,-0.2 4,-0.3 1,-0.2 -1,-0.3 -0.189 91.4 114.5-113.5 45.9 33.0 64.3 63.7 1121 251 C A X + 0 0 0 -3,-1.7 3,-0.9 1,-0.1 7,-0.4 0.872 68.7 60.3 -79.2 -38.7 35.4 67.0 62.7 1122 252 C I T 3 S+ 0 0 1 -4,-0.5 -1,-0.1 -3,-0.3 6,-0.1 0.882 95.7 58.8 -59.5 -43.4 34.1 69.7 65.0 1123 253 C Q T 3 S+ 0 0 2 25,-0.1 2,-0.4 1,-0.1 -1,-0.2 0.700 104.0 58.5 -63.4 -19.0 34.7 68.0 68.4 1124 254 C N <> - 0 0 4 -3,-0.9 4,-1.8 -4,-0.3 3,-0.3 -0.937 67.1-146.6-123.2 139.7 38.5 67.6 67.7 1125 255 C N H > S+ 0 0 74 -2,-0.4 4,-2.1 1,-0.2 5,-0.1 0.773 97.4 64.0 -65.7 -32.6 41.2 70.2 67.0 1126 256 C Y H > S+ 0 0 95 1,-0.2 4,-1.2 2,-0.2 -1,-0.2 0.918 109.5 41.1 -60.2 -41.4 43.2 68.0 64.7 1127 257 C Y H > S+ 0 0 2 -3,-0.3 4,-1.8 -6,-0.2 -2,-0.2 0.889 110.8 55.7 -73.4 -40.6 40.3 68.0 62.3 1128 258 C L H X S+ 0 0 4 -4,-1.8 4,-2.4 -7,-0.4 -2,-0.2 0.855 103.9 57.3 -61.0 -34.2 39.4 71.7 62.7 1129 259 C E H X S+ 0 0 102 -4,-2.1 4,-1.9 2,-0.2 -1,-0.2 0.944 105.0 47.0 -64.1 -48.9 43.0 72.6 61.7 1130 260 C K H X S+ 0 0 34 -4,-1.2 4,-3.4 1,-0.2 -1,-0.2 0.887 111.9 53.2 -61.0 -38.0 42.9 70.9 58.3 1131 261 C L H X S+ 0 0 0 -4,-1.8 4,-2.8 2,-0.2 5,-0.2 0.949 104.5 53.7 -61.0 -49.9 39.6 72.5 57.6 1132 262 C K H < S+ 0 0 91 -4,-2.4 4,-0.3 1,-0.2 -1,-0.2 0.903 115.9 40.9 -52.0 -42.0 41.0 76.0 58.4 1133 263 C K H >< S+ 0 0 107 -4,-1.9 3,-1.4 1,-0.2 4,-0.3 0.904 112.0 55.2 -73.4 -41.4 43.7 75.3 55.9 1134 264 C A H >< S+ 0 0 0 -4,-3.4 3,-2.3 1,-0.3 -2,-0.2 0.872 98.0 61.4 -60.5 -39.7 41.4 73.6 53.4 1135 265 C F T 3< S+ 0 0 25 -4,-2.8 -1,-0.3 1,-0.3 4,-0.2 0.644 83.9 80.8 -61.8 -16.0 39.0 76.6 53.2 1136 266 C K T < S+ 0 0 162 -3,-1.4 -1,-0.3 -4,-0.3 -2,-0.2 0.761 108.9 20.6 -60.5 -23.8 42.0 78.5 51.9 1137 267 C Y S < S- 0 0 74 -3,-2.3 2,-0.7 -4,-0.3 -32,-0.2 0.008 122.3 -29.8-117.1-136.9 41.1 76.8 48.6 1138 268 C R + 0 0 25 -34,-1.5 2,-0.3 -37,-0.1 -31,-0.2 -0.793 61.3 141.8 -99.7 115.3 37.9 75.2 47.3 1139 269 C V - 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0 0 46 -24,-0.3 4,-1.4 -23,-0.3 3,-1.1 -0.793 58.0-172.8 -97.4 100.7 30.4 80.4 50.3 1164 294 C A H 3> S+ 0 0 39 -2,-0.9 4,-2.0 1,-0.3 -1,-0.2 0.808 85.2 63.2 -60.0 -30.9 27.1 81.8 51.5 1165 295 C E H 3> S+ 0 0 112 1,-0.2 4,-1.1 2,-0.2 -1,-0.3 0.814 102.4 49.0 -64.7 -32.1 25.7 81.2 47.9 1166 296 C F H <> S+ 0 0 0 -3,-1.1 4,-2.4 2,-0.2 -1,-0.2 0.867 107.0 54.0 -77.7 -36.1 26.2 77.5 48.3 1167 297 C I H X S+ 0 0 11 -4,-1.4 4,-2.5 2,-0.2 -2,-0.2 0.919 106.4 53.3 -62.2 -42.9 24.5 77.2 51.6 1168 298 C K H < S+ 0 0 148 -4,-2.0 4,-0.3 1,-0.2 -1,-0.2 0.883 110.2 47.8 -59.1 -37.4 21.4 79.0 50.1 1169 299 C E H >< S+ 0 0 33 -4,-1.1 3,-1.2 1,-0.2 -1,-0.2 0.898 109.0 53.7 -70.0 -39.4 21.4 76.4 47.4 1170 300 C I H >< S+ 0 0 1 -4,-2.4 3,-1.4 1,-0.3 4,-0.3 0.880 105.6 53.6 -62.1 -38.6 21.8 73.6 50.0 1171 301 C S T 3< S+ 0 0 6 -4,-2.5 -203,-2.4 1,-0.3 -1,-0.3 0.552 105.2 55.3 -76.2 -4.5 18.7 74.9 51.8 1172 302 C L T < S+ 0 0 56 -3,-1.2 -1,-0.3 -4,-0.3 -2,-0.2 0.224 92.2 74.2-107.5 11.6 16.7 74.8 48.6 1173 303 C S < + 0 0 0 -3,-1.4 -2,-0.1 2,-0.1 -1,-0.1 0.625 69.4 93.8 -98.5 -16.6 17.4 71.1 48.0 1174 304 C Y S S- 0 0 4 -4,-0.3 -208,-0.4 -208,-0.1 2,-0.3 -0.682 75.8-132.8 -83.4 108.6 15.2 69.6 50.6 1175 305 C P - 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