==== 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 04-NOV-04 1XX6 . COMPND 2 MOLECULE: THYMIDINE KINASE; . SOURCE 2 ORGANISM_SCIENTIFIC: CLOSTRIDIUM ACETOBUTYLICUM; . AUTHOR A.P.KUZIN,M.ABASHIDZE,F.FOROUHAR,S.M.VOROBIEV,T.B.ACTON,L.-C . 344 6 1 1 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17138.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 216 62.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 51 14.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 34 9.9 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 3 0.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 3 0.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 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 . 23 6.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 32 9.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 62 18.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 1.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+5), SAME NUMBER PER 100 RESIDUES . 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 *** HISTOGRAMS OF *** . 0 0 0 0 2 0 2 0 0 0 2 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 1 1 6 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 2 4 1 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 3 2 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 LADDERS PER SHEET . # RESIDUE AA STRUCTURE BP1 BP2 ACC N-H-->O O-->H-N N-H-->O O-->H-N TCO KAPPA ALPHA PHI PSI X-CA Y-CA Z-CA 1 2 A Y 0 0 101 0, 0.0 311,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 171.8 28.7 31.8 61.4 2 3 A R - 0 0 136 1,-0.1 4,-0.1 5,-0.1 3,-0.1 0.846 360.0-174.6 54.6 37.7 25.6 29.7 60.7 3 4 A P > - 0 0 45 0, 0.0 3,-1.2 0, 0.0 -1,-0.1 -0.242 36.7 -75.2 -63.8 155.7 25.9 30.3 57.0 4 5 A K T 3 S+ 0 0 178 1,-0.2 3,-0.1 3,-0.0 98,-0.1 -0.141 117.6 17.2 -52.4 139.2 23.1 29.0 54.8 5 6 A D T 3 S+ 0 0 97 96,-0.3 2,-0.5 1,-0.2 -1,-0.2 0.735 95.5 115.5 68.6 24.6 23.1 25.2 54.1 6 7 A H < - 0 0 53 -3,-1.2 -1,-0.2 95,-0.3 2,-0.2 -0.995 53.2-157.1-121.3 117.8 25.4 24.6 57.1 7 8 A G + 0 0 11 -2,-0.5 2,-0.3 91,-0.5 96,-0.2 -0.564 18.5 162.6-100.3 165.0 23.6 22.5 59.7 8 9 A W E -a 103 0A 33 94,-1.2 96,-2.2 -2,-0.2 2,-0.4 -0.962 31.2-116.0-163.3 174.0 24.1 22.0 63.5 9 10 A V E -a 104 0A 0 -2,-0.3 121,-1.9 118,-0.2 120,-1.5 -0.984 22.0-170.1-124.7 131.8 22.4 20.8 66.6 10 11 A E E -ab 105 130A 11 94,-2.9 96,-2.9 -2,-0.4 2,-0.4 -0.970 8.2-157.5-122.5 139.0 21.6 23.0 69.6 11 12 A V E -ab 106 131A 1 119,-2.9 121,-2.8 -2,-0.4 2,-0.5 -0.945 10.7-164.1-121.9 142.3 20.5 21.6 73.0 12 13 A I E +ab 107 132A 0 94,-2.7 96,-2.1 -2,-0.4 2,-0.3 -0.988 25.7 167.6-121.4 115.9 18.5 23.2 75.8 13 14 A V E +ab 108 133A 0 119,-2.5 121,-2.9 -2,-0.5 96,-0.2 -0.933 11.0 113.7-134.2 155.7 18.8 21.2 79.1 14 15 A G - 0 0 0 94,-0.7 96,-0.3 -2,-0.3 121,-0.2 -0.930 60.5 -63.3 166.1 176.2 18.0 21.6 82.7 15 16 A P S > S- 0 0 2 0, 0.0 3,-1.8 0, 0.0 5,-0.3 -0.189 74.8 -61.9 -77.3 177.1 15.6 20.3 85.5 16 17 A X T 3 S+ 0 0 42 1,-0.3 133,-0.1 2,-0.1 120,-0.1 -0.283 126.1 18.8 -58.2 143.9 11.9 20.6 85.4 17 18 A Y T 3 S+ 0 0 109 -3,-0.1 -1,-0.3 119,-0.1 120,-0.2 0.562 86.2 120.7 71.3 9.3 10.7 24.2 85.5 18 19 A S S < S- 0 0 14 -3,-1.8 117,-0.2 118,-0.1 -2,-0.1 0.714 90.0-103.7 -75.2 -19.1 14.1 25.4 84.3 19 20 A G S > S+ 0 0 16 -4,-0.2 4,-2.2 115,-0.1 5,-0.2 0.690 73.9 141.5 104.9 24.6 12.4 26.9 81.3 20 21 A K H > S+ 0 0 21 -5,-0.3 4,-2.6 2,-0.2 5,-0.2 0.913 77.8 43.8 -62.1 -46.0 13.2 24.5 78.5 21 22 A S H > S+ 0 0 27 2,-0.2 4,-2.9 1,-0.2 5,-0.2 0.899 112.4 52.9 -66.1 -43.0 9.8 24.7 76.8 22 23 A E H > S+ 0 0 88 1,-0.2 4,-1.9 2,-0.2 -2,-0.2 0.928 114.2 42.7 -58.6 -45.9 9.6 28.5 77.2 23 24 A E H X S+ 0 0 42 -4,-2.2 4,-2.3 2,-0.2 5,-0.2 0.906 112.4 52.3 -68.9 -42.3 13.1 28.8 75.5 24 25 A L H X S+ 0 0 1 -4,-2.6 4,-1.9 1,-0.2 -2,-0.2 0.936 111.2 48.0 -59.4 -44.6 12.2 26.2 72.8 25 26 A I H X S+ 0 0 4 -4,-2.9 4,-2.5 1,-0.2 -1,-0.2 0.883 108.4 55.6 -62.5 -39.0 9.0 28.2 72.0 26 27 A R H X S+ 0 0 111 -4,-1.9 4,-1.7 1,-0.2 -1,-0.2 0.926 110.3 44.1 -59.7 -44.2 11.1 31.4 71.9 27 28 A R H X S+ 0 0 24 -4,-2.3 4,-1.9 1,-0.2 -1,-0.2 0.805 111.0 55.4 -72.0 -29.3 13.4 30.0 69.3 28 29 A I H X S+ 0 0 0 -4,-1.9 4,-1.9 -5,-0.2 -2,-0.2 0.936 108.7 46.4 -67.9 -46.5 10.5 28.5 67.3 29 30 A R H X S+ 0 0 81 -4,-2.5 4,-1.7 1,-0.2 -2,-0.2 0.844 111.4 52.4 -66.4 -32.5 8.8 31.9 67.0 30 31 A R H X S+ 0 0 145 -4,-1.7 4,-1.9 -5,-0.2 -1,-0.2 0.915 106.4 52.9 -69.9 -40.3 12.0 33.6 66.0 31 32 A A H <>S+ 0 0 2 -4,-1.9 5,-2.2 1,-0.2 -2,-0.2 0.921 109.3 50.4 -60.0 -42.0 12.6 31.1 63.2 32 33 A K H ><5S+ 0 0 104 -4,-1.9 3,-1.3 1,-0.2 -1,-0.2 0.877 108.3 50.5 -64.6 -37.9 9.1 31.8 61.9 33 34 A I H 3<5S+ 0 0 133 -4,-1.7 -1,-0.2 1,-0.3 -2,-0.2 0.835 106.8 56.3 -68.3 -29.1 9.7 35.5 62.0 34 35 A A T 3<5S- 0 0 59 -4,-1.9 -1,-0.3 -5,-0.1 -2,-0.2 0.493 118.1-119.5 -78.3 -2.4 12.9 34.7 60.1 35 36 A K T < 5 + 0 0 193 -3,-1.3 2,-0.5 1,-0.2 -3,-0.2 0.826 63.7 146.1 66.4 34.9 10.7 33.0 57.5 36 37 A Q < - 0 0 77 -5,-2.2 -1,-0.2 -6,-0.1 2,-0.1 -0.907 53.0-119.9-105.5 123.1 12.3 29.6 58.0 37 38 A K - 0 0 78 -2,-0.5 39,-2.3 37,-0.3 40,-2.2 -0.399 39.9-176.7 -62.3 130.0 10.1 26.6 57.7 38 39 A I E -c 77 0A 22 38,-0.2 2,-0.4 37,-0.2 40,-0.2 -0.976 20.8-157.3-135.3 146.4 10.1 24.7 60.9 39 40 A Q E -c 78 0A 19 38,-2.2 40,-2.9 -2,-0.4 2,-0.4 -0.978 13.7-152.0-120.4 133.6 8.6 21.4 62.2 40 41 A V E -c 79 0A 10 -2,-0.4 19,-2.7 38,-0.2 2,-0.4 -0.893 11.7-168.2-110.0 138.7 8.0 20.8 65.9 41 42 A F E +cd 80 59A 0 38,-3.3 40,-2.7 -2,-0.4 19,-0.2 -0.975 12.0 165.9-130.8 142.7 8.0 17.4 67.5 42 43 A K E - d 0 60A 35 17,-1.4 19,-2.7 -2,-0.4 40,-0.1 -0.974 36.3-100.9-146.6 153.9 7.0 16.0 70.9 43 44 A P E d 0 61A 19 0, 0.0 19,-0.2 0, 0.0 20,-0.1 -0.229 360.0 360.0 -75.5 169.2 6.3 12.5 72.3 44 45 A E 0 0 159 17,-0.8 18,-0.1 16,-0.1 16,-0.1 0.283 360.0 360.0 -51.0 360.0 2.9 10.9 72.9 45 ! 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 46 53 A E 0 0 135 0, 0.0 12,-0.7 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 38.2 -0.3 18.1 70.2 47 54 A D E -F 57 0B 36 10,-0.2 2,-0.6 12,-0.1 10,-0.2 -0.672 360.0-126.2 -95.6 146.8 1.0 21.4 71.4 48 55 A V E -F 56 0B 1 8,-2.7 8,-2.0 -2,-0.3 2,-0.4 -0.824 38.5-167.6 -88.6 121.0 4.3 22.0 73.2 49 56 A V E -F 55 0B 86 -2,-0.6 2,-0.4 6,-0.2 6,-0.2 -0.901 15.7-145.0-119.0 145.8 3.3 24.0 76.4 50 57 A S > - 0 0 17 4,-2.5 3,-2.6 -2,-0.4 -2,-0.0 -0.850 22.6-127.2-107.0 140.7 5.3 25.9 79.0 51 58 A H T 3 S+ 0 0 143 -2,-0.4 -1,-0.1 1,-0.3 -2,-0.0 0.680 110.4 60.2 -56.4 -17.9 4.4 26.0 82.7 52 59 A X T 3 S- 0 0 106 2,-0.1 -1,-0.3 0, 0.0 2,-0.1 0.487 123.9 -93.3 -92.0 -2.7 4.5 29.8 82.4 53 60 A G S < S+ 0 0 50 -3,-2.6 -3,-0.1 1,-0.3 -2,-0.1 -0.390 82.3 107.3 134.4 -65.7 1.8 30.1 79.7 54 61 A E - 0 0 82 -5,-0.1 -4,-2.5 -2,-0.1 -1,-0.3 0.049 39.2-173.2 -54.3 159.7 2.8 30.0 76.1 55 62 A K E -F 49 0B 97 -6,-0.2 2,-0.3 -30,-0.1 -6,-0.2 -0.988 10.8-156.3-153.9 155.0 2.4 27.2 73.6 56 63 A E E -F 48 0B 23 -8,-2.0 -8,-2.7 -2,-0.3 -31,-0.0 -0.992 31.8-101.7-137.3 143.9 3.3 26.2 70.0 57 64 A Q E +F 47 0B 120 -2,-0.3 2,-0.3 -10,-0.2 -10,-0.2 -0.358 49.8 169.5 -62.6 140.6 1.8 23.8 67.5 58 65 A A - 0 0 13 -12,-0.7 2,-0.6 -19,-0.1 -17,-0.2 -0.965 37.2-115.9-149.8 163.4 3.6 20.5 67.3 59 66 A V E -d 41 0A 44 -19,-2.7 -17,-1.4 -2,-0.3 2,-0.2 -0.920 30.2-139.6-107.1 113.2 3.3 17.0 65.8 60 67 A A E -d 42 0A 15 -2,-0.6 2,-0.4 -19,-0.2 -16,-0.1 -0.495 23.9-172.0 -70.7 138.2 3.1 14.3 68.5 61 68 A I E -d 43 0A 0 -19,-2.7 -17,-0.8 -2,-0.2 3,-0.0 -0.994 28.1-142.5-137.3 143.5 5.2 11.2 67.6 62 69 A K S S- 0 0 146 -2,-0.4 2,-0.3 -19,-0.2 -1,-0.1 0.755 80.3 -3.6 -74.0 -27.5 5.4 7.8 69.2 63 70 A N S S- 0 0 58 1,-0.1 3,-0.4 23,-0.1 4,-0.3 -0.941 76.7 -89.5-156.6 176.9 9.2 7.3 68.6 64 71 A S S > S+ 0 0 0 -2,-0.3 3,-2.0 1,-0.2 4,-0.5 0.892 115.3 60.1 -60.1 -46.5 12.4 8.6 67.1 65 72 A R T >> S+ 0 0 149 1,-0.3 3,-1.0 2,-0.2 4,-0.9 0.838 91.5 68.3 -53.0 -38.8 11.9 6.9 63.7 66 73 A E H 3> S+ 0 0 34 -3,-0.4 4,-2.2 1,-0.2 -1,-0.3 0.699 84.5 73.5 -58.7 -17.5 8.7 8.8 63.1 67 74 A I H <> S+ 0 0 0 -3,-2.0 4,-1.3 -4,-0.3 -1,-0.2 0.955 98.3 44.9 -60.2 -49.8 10.6 12.0 62.8 68 75 A L H <4 S+ 0 0 95 -3,-1.0 -1,-0.2 -4,-0.5 -2,-0.2 0.776 111.2 55.6 -64.5 -27.1 12.0 10.9 59.4 69 76 A K H < S+ 0 0 136 -4,-0.9 -1,-0.2 1,-0.2 -2,-0.2 0.880 115.1 35.9 -73.2 -40.4 8.4 9.8 58.4 70 77 A Y H < S+ 0 0 93 -4,-2.2 -2,-0.2 -3,-0.1 -1,-0.2 0.562 93.9 117.9 -87.6 -11.2 6.9 13.2 59.1 71 78 A F < - 0 0 46 -4,-1.3 2,-0.5 -5,-0.2 -3,-0.0 -0.357 49.5-159.7 -62.7 130.4 10.0 15.0 57.9 72 79 A E > - 0 0 96 -2,-0.1 3,-2.5 1,-0.1 -2,-0.1 -0.964 18.9-138.5-115.3 123.1 9.4 17.3 54.9 73 80 A E T 3 S+ 0 0 164 -2,-0.5 -1,-0.1 1,-0.3 -2,-0.0 0.658 100.7 70.5 -53.1 -16.5 12.5 18.2 52.8 74 81 A D T 3 S+ 0 0 116 -36,-0.0 -1,-0.3 2,-0.0 -37,-0.3 0.787 78.7 94.9 -72.3 -30.7 11.1 21.7 52.7 75 82 A T < - 0 0 0 -3,-2.5 -37,-0.2 1,-0.1 3,-0.1 -0.402 48.9-172.5 -72.8 141.4 11.7 22.4 56.4 76 83 A E S S+ 0 0 78 -39,-2.3 27,-2.3 1,-0.2 2,-0.4 0.712 72.1 42.5 -99.2 -28.7 14.9 24.2 57.5 77 84 A V E -ce 38 103A 1 -40,-2.2 -38,-2.2 25,-0.2 2,-0.5 -0.985 60.5-165.2-129.3 131.7 14.5 23.9 61.3 78 85 A I E -ce 39 104A 0 25,-2.7 27,-3.0 -2,-0.4 2,-0.5 -0.960 9.2-167.2-114.3 125.7 13.4 20.9 63.3 79 86 A A E -ce 40 105A 0 -40,-2.9 -38,-3.3 -2,-0.5 2,-0.4 -0.963 3.7-173.3-116.6 130.1 12.4 21.5 67.0 80 87 A I E -ce 41 106A 0 25,-3.2 27,-2.2 -2,-0.5 3,-0.3 -0.975 3.6-163.9-127.0 125.7 12.0 18.6 69.5 81 88 A D + 0 0 5 -40,-2.7 27,-0.1 -2,-0.4 -60,-0.0 -0.568 68.2 19.9-102.3 166.6 10.7 18.8 73.0 82 89 A E S > S+ 0 0 68 -2,-0.2 3,-1.6 1,-0.1 4,-0.2 0.848 70.2 169.2 44.3 46.1 10.9 16.4 76.0 83 90 A V G > + 0 0 0 24,-2.8 3,-1.7 -3,-0.3 25,-0.2 0.737 57.1 80.5 -59.2 -27.6 13.8 14.6 74.3 84 91 A Q G 3 S+ 0 0 15 1,-0.3 -1,-0.3 23,-0.2 24,-0.1 0.669 89.1 58.0 -57.5 -14.9 14.7 12.6 77.4 85 92 A F G < S+ 0 0 129 -3,-1.6 -1,-0.3 34,-0.1 -2,-0.2 0.688 85.4 91.5 -91.0 -18.2 11.9 10.2 76.5 86 93 A F S < S- 0 0 9 -3,-1.7 -23,-0.1 -4,-0.2 -24,-0.0 -0.406 81.7-106.3 -76.1 154.7 13.0 9.2 73.0 87 94 A D > - 0 0 64 1,-0.1 3,-1.6 -2,-0.1 4,-0.2 -0.191 40.7 -92.5 -71.2 171.2 15.2 6.1 72.4 88 95 A D T >> S+ 0 0 106 1,-0.3 3,-1.4 2,-0.2 4,-0.5 0.599 114.2 79.1 -63.0 -13.9 18.9 6.5 71.6 89 96 A E H 3> S+ 0 0 75 1,-0.3 4,-2.3 2,-0.2 3,-0.3 0.760 75.5 76.6 -67.2 -21.9 18.3 6.4 67.8 90 97 A I H <> S+ 0 0 0 -3,-1.6 4,-2.8 1,-0.2 -1,-0.3 0.797 86.7 63.2 -58.6 -26.0 17.3 10.1 68.0 91 98 A V H <> S+ 0 0 21 -3,-1.4 4,-2.5 2,-0.2 -1,-0.2 0.954 106.8 38.3 -65.2 -52.6 21.0 10.9 68.2 92 99 A E H X S+ 0 0 124 -4,-0.5 4,-2.7 -3,-0.3 -2,-0.2 0.913 117.0 54.1 -64.7 -40.1 21.9 9.6 64.8 93 100 A I H X S+ 0 0 11 -4,-2.3 4,-1.8 1,-0.2 -2,-0.2 0.927 111.6 43.5 -59.1 -46.5 18.7 10.9 63.4 94 101 A V H X S+ 0 0 0 -4,-2.8 4,-2.1 2,-0.2 -1,-0.2 0.901 113.5 51.2 -66.4 -41.5 19.4 14.4 64.7 95 102 A N H X S+ 0 0 35 -4,-2.5 4,-2.5 1,-0.2 -2,-0.2 0.896 109.0 52.7 -62.9 -39.0 23.0 14.3 63.6 96 103 A K H X S+ 0 0 116 -4,-2.7 4,-1.6 2,-0.2 -1,-0.2 0.889 107.7 49.9 -63.7 -41.4 21.9 13.2 60.1 97 104 A I H <>S+ 0 0 7 -4,-1.8 5,-1.6 2,-0.2 4,-0.2 0.917 112.4 47.7 -65.3 -40.7 19.5 16.2 59.9 98 105 A A H ><5S+ 0 0 1 -4,-2.1 3,-1.6 1,-0.2 -91,-0.5 0.903 110.1 52.0 -65.4 -41.8 22.3 18.6 60.9 99 106 A E H 3<5S+ 0 0 99 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.808 100.2 63.6 -65.8 -27.5 24.7 17.0 58.4 100 107 A S T 3<5S- 0 0 61 -4,-1.6 -1,-0.3 -5,-0.2 -2,-0.2 0.599 127.5 -99.4 -73.3 -6.2 22.0 17.5 55.7 101 108 A G T < 5S+ 0 0 9 -3,-1.6 -96,-0.3 1,-0.3 -95,-0.3 0.671 84.4 117.6 98.8 20.5 22.5 21.2 56.3 102 109 A R < - 0 0 44 -5,-1.6 -94,-1.2 -97,-0.1 2,-0.4 -0.724 63.2-109.7-116.1 167.1 19.5 22.0 58.6 103 110 A R E -ae 8 77A 42 -27,-2.3 -25,-2.7 -2,-0.2 2,-0.5 -0.815 26.0-165.1 -99.9 134.0 19.2 23.2 62.2 104 111 A V E -ae 9 78A 0 -96,-2.2 -94,-2.9 -2,-0.4 2,-0.6 -0.975 1.9-165.9-121.7 126.7 18.0 20.9 65.0 105 112 A I E -ae 10 79A 0 -27,-3.0 -25,-3.2 -2,-0.5 2,-0.4 -0.936 9.5-174.6-113.5 116.1 16.8 22.2 68.3 106 113 A C E -ae 11 80A 0 -96,-2.9 -94,-2.7 -2,-0.6 2,-0.4 -0.902 4.7-174.6-113.3 138.4 16.5 19.7 71.2 107 114 A A E +a 12 0A 0 -27,-2.2 -24,-2.8 -2,-0.4 2,-0.3 -0.993 24.7 120.2-129.9 137.6 15.1 20.4 74.7 108 115 A G E -a 13 0A 0 -96,-2.1 -94,-0.7 -2,-0.4 -2,-0.0 -0.944 58.3 -66.1 175.7 162.8 15.0 17.9 77.5 109 116 A L - 0 0 20 -2,-0.3 12,-0.2 -96,-0.2 3,-0.1 -0.302 27.8-158.3 -61.4 140.5 16.0 16.8 81.1 110 117 A D S S+ 0 0 4 -96,-0.3 8,-2.6 1,-0.2 2,-0.3 0.810 77.1 18.7 -90.1 -32.7 19.7 16.2 81.7 111 118 A X B S-G 117 0C 9 6,-0.3 -1,-0.2 -97,-0.1 2,-0.1 -0.904 74.9-122.6-133.5 161.3 19.1 14.0 84.8 112 119 A D > - 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0 0 2 -7,-1.6 6,-0.1 1,-0.2 3,-0.0 -0.961 33.1-124.3-150.8 166.6 47.9 10.3 87.7 231 69 B K S S+ 0 0 127 -2,-0.3 -1,-0.2 -6,-0.1 -6,-0.0 0.586 73.4 2.4 -82.6-125.1 46.6 7.0 86.4 232 70 B N S S- 0 0 65 1,-0.1 3,-0.4 23,-0.1 23,-0.1 0.264 76.5-100.7 -54.5-177.2 42.9 6.0 86.8 233 71 B S S > S+ 0 0 0 1,-0.2 3,-1.6 2,-0.1 4,-0.5 0.757 115.6 65.4 -80.2 -29.5 40.1 7.9 88.5 234 72 B R T 3> S+ 0 0 134 1,-0.3 4,-0.6 2,-0.2 -1,-0.2 0.638 90.8 69.3 -69.0 -12.2 40.2 6.1 91.8 235 73 B E H 3> S+ 0 0 31 -3,-0.4 4,-1.3 1,-0.2 -1,-0.3 0.425 82.9 71.2 -86.2 -0.1 43.7 7.6 92.3 236 74 B I H <> S+ 0 0 0 -3,-1.6 4,-1.5 2,-0.2 -1,-0.2 0.889 93.4 54.0 -79.6 -42.5 42.2 11.1 92.7 237 75 B L H 4 S+ 0 0 84 -4,-0.5 -2,-0.2 2,-0.2 -1,-0.2 0.855 105.2 57.6 -58.1 -35.9 40.8 10.2 96.1 238 76 B K H < S+ 0 0 144 -4,-0.6 -1,-0.2 1,-0.2 -2,-0.2 0.983 113.3 34.7 -58.0 -63.2 44.3 9.1 97.1 239 77 B Y H < S+ 0 0 85 -4,-1.3 2,-0.2 2,-0.1 -1,-0.2 0.603 91.8 121.7 -69.3 -13.6 46.1 12.4 96.4 240 78 B F < - 0 0 41 -4,-1.5 2,-0.6 -5,-0.1 -3,-0.0 -0.351 49.2-157.0 -60.7 119.7 43.0 14.4 97.6 241 79 B E > - 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0 0 22 -2,-0.3 12,-0.1 -84,-0.2 9,-0.1 -0.451 30.3-153.8 -66.7 139.8 37.3 16.7 74.3 279 117 B D S S+ 0 0 3 -84,-0.3 8,-2.3 1,-0.2 2,-0.3 0.812 75.7 20.9 -87.8 -29.4 33.6 16.1 73.7 280 118 B X B S-P 286 0G 8 6,-0.3 -1,-0.2 -85,-0.1 -85,-0.1 -0.917 75.4-122.6-134.2 158.9 34.0 13.8 70.7 281 119 B D > - 0 0 26 4,-2.2 3,-1.9 -2,-0.3 36,-0.4 -0.209 51.5 -79.9 -87.7-173.4 36.8 11.7 69.2 282 120 B F T 3 S+ 0 0 32 1,-0.3 37,-0.3 2,-0.1 -1,-0.0 0.733 132.8 55.8 -62.7 -22.5 38.2 12.1 65.6 283 121 B R T 3 S- 0 0 67 2,-0.1 -1,-0.3 45,-0.1 64,-0.1 0.557 120.3-110.9 -84.4 -8.0 35.2 10.2 64.2 284 122 B G S < S+ 0 0 7 -3,-1.9 -2,-0.1 1,-0.3 34,-0.0 0.730 71.6 142.1 85.1 22.4 32.9 12.7 65.9 285 123 B K - 0 0 78 1,-0.1 -4,-2.2 -158,-0.0 -1,-0.3 -0.783 66.2 -85.4 -99.1 142.5 31.6 10.1 68.4 286 124 B P B -P 280 0G 30 0, 0.0 2,-0.6 0, 0.0 -6,-0.3 -0.194 50.8-129.2 -45.9 125.4 30.9 11.0 72.1 287 125 B F > - 0 0 50 -8,-2.3 3,-1.8 -9,-0.1 -33,-0.0 -0.735 42.8 -67.1 -91.4 113.7 34.3 10.6 73.9 288 126 B G T 3 S- 0 0 42 -2,-0.6 4,-0.2 1,-0.2 -35,-0.1 -0.121 109.7 -12.7 50.9-133.8 34.4 8.5 77.0 289 127 B P T 3> S+ 0 0 1 0, 0.0 4,-2.1 0, 0.0 -1,-0.2 0.334 104.0 107.0 -83.2 8.9 32.6 9.8 80.1 290 128 B I H <> S+ 0 0 0 -3,-1.8 4,-2.5 1,-0.2 5,-0.3 0.905 74.4 53.2 -54.7 -47.0 32.1 13.2 78.6 291 129 B P H > S+ 0 0 0 0, 0.0 4,-1.7 0, 0.0 -1,-0.2 0.934 112.5 44.3 -55.3 -47.4 28.3 12.8 78.0 292 130 B E H > S+ 0 0 59 -4,-0.2 4,-1.8 2,-0.2 -2,-0.2 0.836 112.4 51.9 -67.2 -34.4 27.7 11.8 81.6 293 131 B L H X S+ 0 0 0 -4,-2.1 4,-1.8 2,-0.2 -1,-0.2 0.899 110.7 47.2 -69.2 -41.0 29.8 14.6 83.0 294 132 B X H < S+ 0 0 0 -4,-2.5 -2,-0.2 -5,-0.2 -1,-0.2 0.854 109.7 56.7 -67.6 -32.5 28.0 17.2 80.9 295 133 B A H < S+ 0 0 0 -4,-1.7 -2,-0.2 -5,-0.3 -1,-0.2 0.906 115.7 33.4 -65.2 -43.6 24.8 15.7 82.1 296 134 B I H < S+ 0 0 1 -4,-1.8 -106,-0.2 -5,-0.1 -1,-0.2 0.643 95.4 107.0 -88.5 -16.5 25.5 16.1 85.8 297 135 B A < - 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