==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=29-MAY-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 18-MAY-11 3S40 . COMPND 2 MOLECULE: DIACYLGLYCEROL KINASE; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS ANTHRACIS; . AUTHOR K.TAN,R.ZHANG,X.XU,H.CUI,S.PETERSON,A.SAVCHENKO,W.F.ANDERSON . 1116 15 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 44558.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 735 65.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 84 7.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 251 22.5 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 . 12 1.1 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 . 81 7.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 73 6.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 220 19.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 0.4 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 5 0 3 2 6 2 5 0 0 0 4 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 0 0 0 8 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 PARALLEL BRIDGES PER LADDER . 4 8 4 8 9 7 2 4 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 . 5 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 2 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 K 0 0 219 0, 0.0 2,-0.2 0, 0.0 4,-0.0 0.000 360.0 360.0 360.0 127.4 14.9 18.5 21.3 2 4 A T - 0 0 23 32,-0.1 3,-0.1 2,-0.1 33,-0.0 -0.506 360.0-132.4 -95.9 158.5 13.8 18.8 25.0 3 5 A K S S+ 0 0 128 -2,-0.2 2,-0.5 1,-0.2 -1,-0.1 0.343 95.6 70.7 -87.2 6.3 11.4 21.3 26.7 4 6 A F + 0 0 6 1,-0.1 -1,-0.2 58,-0.0 -2,-0.1 -0.858 54.6 175.9-127.1 98.5 14.0 21.7 29.5 5 7 A E S S+ 0 0 126 -2,-0.5 2,-0.4 1,-0.2 32,-0.2 0.917 75.4 28.3 -71.2 -43.2 17.1 23.6 28.3 6 8 A K S S- 0 0 81 30,-0.1 55,-2.9 32,-0.0 56,-1.4 -0.975 71.7-170.0-125.3 134.8 18.8 23.7 31.8 7 9 A V E -ab 38 62A 1 30,-2.3 32,-2.8 -2,-0.4 2,-0.5 -0.954 9.0-159.9-124.6 136.5 18.3 21.1 34.5 8 10 A L E -ab 39 63A 0 54,-2.6 56,-3.5 -2,-0.4 2,-0.5 -0.981 5.2-163.8-110.8 129.8 19.3 21.1 38.2 9 11 A L E -ab 40 64A 0 30,-3.4 32,-2.6 -2,-0.5 2,-0.5 -0.962 5.8-159.5-109.5 118.6 19.5 17.8 40.1 10 12 A I E -ab 41 65A 0 54,-3.3 56,-3.1 -2,-0.5 2,-0.5 -0.875 10.8-162.5 -97.3 125.8 19.6 18.1 43.9 11 13 A V E -ab 42 66A 0 30,-3.0 32,-2.7 -2,-0.5 56,-0.1 -0.945 17.2-156.1-115.9 121.8 21.0 15.1 45.6 12 14 A N > - 0 0 34 54,-2.0 3,-2.2 -2,-0.5 32,-0.1 -0.864 14.8-154.5 -86.7 109.3 20.7 14.2 49.3 13 15 A P T 3 S+ 0 0 39 0, 0.0 7,-0.2 0, 0.0 -1,-0.1 0.745 92.7 55.1 -63.0 -23.4 23.7 12.0 49.8 14 16 A K T 3 S+ 0 0 173 5,-0.1 53,-0.1 -3,-0.1 -2,-0.0 0.651 89.0 105.6 -78.3 -15.6 22.0 10.2 52.7 15 17 A A < + 0 0 6 -3,-2.2 79,-0.2 51,-0.2 8,-0.1 -0.125 56.6 40.9 -68.8 161.5 19.0 9.3 50.5 16 18 A G S S- 0 0 22 77,-2.9 77,-0.1 1,-0.1 79,-0.1 0.397 82.5 -94.6 87.5 143.5 18.2 5.9 49.2 17 19 A Q S S+ 0 0 187 77,-0.2 -1,-0.1 2,-0.1 76,-0.0 0.985 107.1 42.8 -49.8 -67.4 18.4 2.4 50.5 18 20 A G S S- 0 0 42 1,-0.2 2,-0.1 2,-0.1 0, 0.0 0.304 102.6 -65.6 -70.9-163.2 21.8 1.7 49.1 19 21 A D > - 0 0 90 1,-0.1 4,-2.8 4,-0.0 5,-0.2 -0.408 44.3-103.2 -91.2 165.8 24.9 3.8 48.9 20 22 A L H > S+ 0 0 43 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.890 117.8 47.9 -51.0 -48.7 25.7 7.1 47.1 21 23 A H H > S+ 0 0 70 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.921 113.5 46.6 -66.9 -43.9 27.7 5.6 44.3 22 24 A T H > S+ 0 0 57 1,-0.2 4,-1.2 2,-0.2 -1,-0.2 0.923 113.8 48.6 -65.3 -43.9 25.2 2.9 43.6 23 25 A N H X S+ 0 0 4 -4,-2.8 4,-2.0 1,-0.2 3,-0.3 0.901 110.7 50.5 -60.1 -42.0 22.3 5.3 43.6 24 26 A L H X S+ 0 0 0 -4,-2.6 4,-2.0 -5,-0.2 -1,-0.2 0.814 104.5 57.8 -71.6 -27.1 24.0 7.7 41.3 25 27 A T H < S+ 0 0 60 -4,-1.8 -1,-0.2 -5,-0.2 -2,-0.2 0.830 110.4 46.5 -66.9 -31.4 24.8 4.9 38.9 26 28 A K H < S+ 0 0 93 -4,-1.2 -2,-0.2 -3,-0.3 -1,-0.2 0.888 124.6 25.0 -78.9 -38.3 21.1 4.4 38.7 27 29 A I H X S+ 0 0 0 -4,-2.0 4,-1.0 2,-0.1 -3,-0.2 0.832 110.6 58.7-102.7 -31.1 19.8 7.9 38.3 28 30 A V H X S+ 0 0 0 -4,-2.0 4,-3.3 -5,-0.2 5,-0.3 0.925 94.7 59.4 -73.2 -44.6 22.5 10.2 36.8 29 31 A P H > S+ 0 0 1 0, 0.0 4,-2.6 0, 0.0 5,-0.2 0.889 105.5 45.9 -55.4 -51.4 23.2 8.5 33.4 30 32 A P H > S+ 0 0 8 0, 0.0 4,-1.9 0, 0.0 5,-0.2 0.896 117.0 48.0 -58.9 -35.9 19.7 8.6 31.8 31 33 A L H X S+ 0 0 0 -4,-1.0 4,-2.8 2,-0.2 -3,-0.1 0.934 111.9 47.6 -68.0 -44.8 19.5 12.2 33.0 32 34 A A H < S+ 0 0 0 -4,-3.3 -1,-0.2 1,-0.2 -4,-0.1 0.870 113.7 49.0 -67.0 -31.8 22.9 13.2 31.7 33 35 A A H < S+ 0 0 26 -4,-2.6 -1,-0.2 -5,-0.3 -2,-0.2 0.871 117.0 41.0 -70.5 -37.0 22.1 11.5 28.3 34 36 A A H < S+ 0 0 35 -4,-1.9 -2,-0.2 -5,-0.2 -3,-0.2 0.859 113.3 51.6 -82.7 -37.3 18.7 13.2 28.0 35 37 A F < - 0 0 1 -4,-2.8 -1,-0.2 -5,-0.2 3,-0.1 -0.857 62.9-161.3-112.8 106.4 19.6 16.7 29.2 36 38 A P S S+ 0 0 25 0, 0.0 283,-2.3 0, 0.0 2,-0.3 0.547 87.2 45.2 -66.7 -7.1 22.6 18.4 27.5 37 39 A D E S+ C 0 318A 27 281,-0.2 -30,-2.3 -32,-0.2 2,-0.4 -0.831 74.9 160.8-136.8 100.4 23.0 20.9 30.4 38 40 A L E -aC 7 317A 0 279,-2.3 279,-3.0 -2,-0.3 2,-0.5 -0.967 21.1-163.7-130.6 126.4 22.7 19.3 33.7 39 41 A H E -aC 8 316A 21 -32,-2.8 -30,-3.4 -2,-0.4 2,-0.5 -0.931 7.5-163.2-116.8 127.7 23.9 20.7 37.1 40 42 A I E +aC 9 315A 0 275,-3.2 275,-2.6 -2,-0.5 2,-0.4 -0.949 9.4 177.9-117.8 125.0 24.3 18.4 40.0 41 43 A L E -aC 10 314A 8 -32,-2.6 -30,-3.0 -2,-0.5 2,-0.3 -0.985 18.3-145.1-127.8 131.1 24.5 19.6 43.6 42 44 A H E -a 11 0A 13 271,-2.6 -30,-0.2 -2,-0.4 2,-0.2 -0.711 20.6-128.4 -87.1 142.4 24.8 17.6 46.8 43 45 A T - 0 0 15 -32,-2.7 3,-0.1 -2,-0.3 -1,-0.0 -0.559 22.9-177.9 -77.1 156.9 23.1 18.9 49.9 44 46 A K + 0 0 128 1,-0.5 2,-0.3 -2,-0.2 -1,-0.1 0.628 63.2 13.7-121.5 -45.9 25.2 19.1 53.1 45 47 A E S > S- 0 0 140 1,-0.1 3,-2.1 0, 0.0 -1,-0.5 -0.875 92.6 -76.0-126.4 164.6 22.9 20.4 55.8 46 48 A Q T 3 S+ 0 0 182 -2,-0.3 -1,-0.1 1,-0.2 25,-0.0 -0.308 118.9 34.6 -46.7 134.2 19.2 20.8 56.4 47 49 A G T 3> S+ 0 0 14 -3,-0.0 4,-2.4 24,-0.0 -1,-0.2 0.045 87.1 102.9 100.0 -24.8 18.1 23.9 54.5 48 50 A D H <> S+ 0 0 16 -3,-2.1 4,-2.9 2,-0.2 5,-0.2 0.891 78.7 51.9 -58.9 -44.8 20.4 23.4 51.5 49 51 A A H > S+ 0 0 0 -4,-0.3 4,-2.6 1,-0.2 -1,-0.2 0.949 111.1 49.0 -59.5 -45.3 17.8 22.0 49.2 50 52 A T H > S+ 0 0 11 1,-0.2 4,-2.2 2,-0.2 -2,-0.2 0.927 113.1 46.9 -57.2 -47.6 15.6 25.1 49.9 51 53 A K H X S+ 0 0 76 -4,-2.4 4,-2.1 1,-0.2 -1,-0.2 0.865 111.7 50.2 -65.8 -36.1 18.6 27.4 49.3 52 54 A Y H X S+ 0 0 34 -4,-2.9 4,-2.7 2,-0.2 5,-0.2 0.926 110.1 50.9 -68.8 -41.5 19.5 25.6 46.0 53 55 A C H X S+ 0 0 0 -4,-2.6 4,-1.7 -5,-0.2 -2,-0.2 0.940 112.2 46.5 -57.4 -48.6 15.9 25.8 44.8 54 56 A Q H < S+ 0 0 19 -4,-2.2 4,-0.3 1,-0.2 -1,-0.2 0.855 114.4 47.4 -66.3 -33.8 15.8 29.5 45.5 55 57 A E H < S+ 0 0 62 -4,-2.1 3,-0.3 1,-0.2 -1,-0.2 0.892 121.4 34.1 -74.5 -39.0 19.1 30.2 43.9 56 58 A F H >X S+ 0 0 16 -4,-2.7 3,-2.0 1,-0.2 4,-1.8 0.548 88.0 99.6 -95.9 -6.1 18.5 28.3 40.7 57 59 A A T 3< S+ 0 0 4 -4,-1.7 -1,-0.2 1,-0.3 -2,-0.1 0.839 91.7 37.3 -48.9 -42.0 14.7 28.9 40.3 58 60 A S T 34 S+ 0 0 48 -4,-0.3 -1,-0.3 -3,-0.3 -2,-0.1 0.457 117.8 53.6 -90.5 0.8 15.2 31.7 37.8 59 61 A K T <4 S+ 0 0 71 -3,-2.0 2,-0.3 -4,-0.0 -2,-0.2 0.659 103.5 47.8-110.5 -19.2 18.1 30.0 36.1 60 62 A V < - 0 0 14 -4,-1.8 -53,-0.2 1,-0.1 3,-0.1 -0.816 58.1-146.1-123.4 166.7 16.9 26.5 35.2 61 63 A D S S+ 0 0 66 -55,-2.9 26,-1.5 1,-0.3 2,-0.4 0.658 87.5 31.8-101.0 -21.9 13.8 24.9 33.6 62 64 A L E -bd 7 87A 0 -56,-1.4 -54,-2.6 24,-0.2 2,-0.5 -0.998 59.9-164.0-142.6 129.8 13.6 21.8 35.6 63 65 A I E -bd 8 88A 0 24,-2.9 26,-2.1 -2,-0.4 2,-0.4 -0.979 11.5-166.1-112.8 121.8 14.6 21.0 39.2 64 66 A I E -bd 9 89A 0 -56,-3.5 -54,-3.3 -2,-0.5 2,-0.5 -0.903 3.1-159.0-105.9 133.3 14.9 17.3 40.1 65 67 A V E -bd 10 90A 0 24,-2.5 26,-3.0 -2,-0.4 2,-0.7 -0.960 6.3-165.2-115.9 120.9 15.1 16.3 43.8 66 68 A F E +bd 11 91A 1 -56,-3.1 -54,-2.0 -2,-0.5 2,-0.3 -0.905 54.4 69.1 -97.1 108.4 16.6 12.9 44.8 67 69 A G E S- d 0 92A 0 24,-1.9 26,-1.6 -2,-0.7 27,-0.6 -0.965 76.4 -63.9 168.1 177.7 15.5 12.4 48.4 68 70 A G > - 0 0 13 25,-0.6 4,-2.5 -2,-0.3 5,-0.2 0.066 64.1 -76.8 -77.1-169.9 12.8 11.6 51.0 69 71 A D H > S+ 0 0 50 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.845 128.4 55.8 -61.1 -37.2 9.7 13.6 52.0 70 72 A G H > S+ 0 0 53 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.945 110.6 43.7 -60.1 -48.9 11.8 16.0 54.1 71 73 A T H > S+ 0 0 15 2,-0.2 4,-1.6 1,-0.2 -2,-0.2 0.909 113.7 50.9 -63.5 -43.1 14.0 17.0 51.2 72 74 A V H X S+ 0 0 14 -4,-2.5 4,-2.4 1,-0.2 -1,-0.2 0.919 109.1 52.0 -57.6 -47.6 10.9 17.2 48.8 73 75 A F H X S+ 0 0 31 -4,-2.5 4,-2.4 1,-0.2 -1,-0.2 0.827 103.5 57.5 -60.4 -34.6 9.2 19.5 51.4 74 76 A E H X S+ 0 0 33 -4,-1.7 4,-1.7 1,-0.2 -1,-0.2 0.905 108.9 47.1 -60.8 -40.2 12.3 21.7 51.4 75 77 A C H X S+ 0 0 0 -4,-1.6 4,-3.2 2,-0.2 5,-0.3 0.926 109.6 51.9 -66.3 -46.3 11.9 22.1 47.7 76 78 A T H X S+ 0 0 1 -4,-2.4 4,-3.0 1,-0.2 -2,-0.2 0.943 115.1 42.5 -53.8 -53.4 8.1 22.8 48.0 77 79 A N H < S+ 0 0 41 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.802 114.0 53.1 -63.6 -32.7 8.8 25.5 50.5 78 80 A G H < S+ 0 0 0 -4,-1.7 -2,-0.2 -5,-0.2 -1,-0.2 0.936 121.0 28.9 -66.2 -46.9 11.7 26.8 48.6 79 81 A L H >< S+ 0 0 1 -4,-3.2 3,-2.4 1,-0.2 -2,-0.2 0.866 101.7 76.7 -85.3 -38.2 9.8 27.2 45.3 80 82 A A T 3< S+ 0 0 2 -4,-3.0 -1,-0.2 -5,-0.3 -3,-0.1 0.827 96.0 45.9 -52.4 -43.2 6.2 27.9 46.3 81 83 A P T 3 S+ 0 0 34 0, 0.0 -1,-0.3 0, 0.0 2,-0.2 0.564 93.4 104.5 -80.1 0.3 6.6 31.6 47.4 82 84 A L < - 0 0 7 -3,-2.4 3,-0.1 -4,-0.1 541,-0.1 -0.459 68.3-139.4 -85.1 149.6 8.7 32.5 44.3 83 85 A E S S+ 0 0 100 1,-0.2 2,-0.5 -2,-0.2 -1,-0.1 0.846 97.6 46.5 -69.8 -36.5 7.4 34.5 41.3 84 86 A I S S+ 0 0 80 539,-0.1 -1,-0.2 -5,-0.0 -2,-0.1 -0.950 70.7 174.2-115.1 122.3 9.3 32.2 39.0 85 87 A R - 0 0 82 -2,-0.5 182,-0.1 -3,-0.1 3,-0.1 -0.933 17.1-148.6-133.1 107.5 9.0 28.4 39.5 86 88 A P - 0 0 11 0, 0.0 181,-0.3 0, 0.0 -24,-0.2 -0.215 40.7 -78.4 -64.0 162.2 10.5 25.8 37.3 87 89 A T E -d 62 0A 18 -26,-1.5 -24,-2.9 179,-0.1 2,-0.3 -0.334 51.4-144.0 -52.4 139.1 9.0 22.4 36.7 88 90 A L E -de 63 268A 2 179,-2.5 181,-2.3 -26,-0.2 2,-0.3 -0.873 17.9-176.2-115.8 146.6 9.8 20.0 39.6 89 91 A A E -d 64 0A 0 -26,-2.1 -24,-2.5 -2,-0.3 2,-0.4 -0.973 11.5-146.8-139.3 152.6 10.5 16.3 39.6 90 92 A I E -d 65 0A 4 -2,-0.3 -24,-0.2 179,-0.2 26,-0.1 -0.976 10.0-166.6-125.0 131.6 11.1 13.8 42.4 91 93 A I E -d 66 0A 0 -26,-3.0 -24,-1.9 -2,-0.4 2,-0.3 -0.991 39.4-119.8-110.3 119.4 13.2 10.7 42.5 92 94 A P E +d 67 0A 5 0, 0.0 -24,-0.2 0, 0.0 17,-0.1 -0.408 47.5 157.2 -67.5 118.8 12.0 8.9 45.6 93 95 A G + 0 0 9 -26,-1.6 -77,-2.9 -2,-0.3 -25,-0.6 0.191 53.0 66.1-128.6 14.8 14.9 8.5 48.2 94 96 A G S S- 0 0 28 -27,-0.6 -77,-0.2 -79,-0.2 -27,-0.0 -0.307 90.5-100.3-114.9-159.4 13.0 8.1 51.4 95 97 A T S S+ 0 0 119 -2,-0.1 -1,-0.0 -79,-0.1 -78,-0.0 0.829 113.9 27.8 -95.9 -40.1 10.7 5.4 52.8 96 98 A C - 0 0 28 84,-0.0 5,-0.1 -3,-0.0 85,-0.0 0.944 66.9-178.9 -86.1 -55.6 7.3 7.0 52.2 97 99 A N > + 0 0 10 3,-0.1 4,-2.4 1,-0.1 5,-0.2 0.913 14.3 174.2 54.4 44.9 7.8 9.2 49.2 98 100 A D H > S+ 0 0 16 1,-0.2 4,-1.9 2,-0.2 81,-0.2 0.894 71.2 43.2 -53.3 -49.8 4.2 10.3 49.5 99 101 A F H > S+ 0 0 4 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.880 110.0 55.5 -71.4 -32.1 4.2 12.9 46.9 100 102 A S H 4>S+ 0 0 1 1,-0.2 5,-2.5 2,-0.2 -1,-0.2 0.912 108.9 50.3 -61.9 -39.4 6.2 10.9 44.4 101 103 A R H ><5S+ 0 0 68 -4,-2.4 3,-1.7 1,-0.2 -1,-0.2 0.900 103.2 58.5 -64.9 -37.7 3.6 8.2 44.8 102 104 A T H 3<5S+ 0 0 1 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.898 107.3 47.9 -56.8 -37.0 0.8 10.8 44.1 103 105 A L T 3<5S- 0 0 0 -4,-1.6 168,-2.6 -3,-0.2 -1,-0.3 0.410 117.2-116.3 -86.2 1.0 2.5 11.5 40.7 104 106 A G T < 5 + 0 0 10 -3,-1.7 -3,-0.2 1,-0.2 -2,-0.1 0.690 53.6 169.8 72.8 19.1 2.7 7.7 40.0 105 107 A V < - 0 0 7 -5,-2.5 -1,-0.2 -6,-0.2 7,-0.1 -0.473 41.2-107.8 -67.0 127.5 6.5 7.9 40.0 106 108 A P - 0 0 35 0, 0.0 6,-0.1 0, 0.0 -1,-0.1 -0.231 18.4-140.6 -50.2 138.9 8.1 4.4 40.0 107 109 A Q S S+ 0 0 66 -16,-0.1 2,-0.7 4,-0.1 3,-0.1 0.628 83.5 91.3 -84.2 -12.0 9.7 3.6 43.4 108 110 A N S > S- 0 0 90 1,-0.2 4,-2.4 2,-0.0 3,-0.4 -0.751 77.6-145.7 -76.0 116.6 12.6 2.0 41.7 109 111 A I H > S+ 0 0 20 -2,-0.7 4,-2.1 1,-0.3 5,-0.2 0.836 95.3 56.4 -64.7 -31.4 14.9 5.0 41.4 110 112 A A H > S+ 0 0 17 1,-0.2 4,-1.8 2,-0.2 -1,-0.3 0.929 111.5 44.3 -60.4 -45.9 16.4 3.9 38.1 111 113 A E H > S+ 0 0 92 -3,-0.4 4,-2.4 1,-0.2 -2,-0.2 0.859 110.3 55.4 -65.7 -38.9 12.9 3.8 36.6 112 114 A A H X S+ 0 0 0 -4,-2.4 4,-1.5 2,-0.2 -1,-0.2 0.863 107.3 49.5 -59.7 -41.0 12.0 7.1 38.3 113 115 A A H X S+ 0 0 0 -4,-2.1 4,-1.1 2,-0.2 -2,-0.2 0.910 110.8 49.6 -67.5 -41.6 15.0 8.8 36.6 114 116 A K H < S+ 0 0 87 -4,-1.8 4,-0.5 1,-0.2 3,-0.3 0.892 105.0 58.5 -63.7 -41.3 14.0 7.4 33.2 115 117 A L H >X S+ 0 0 16 -4,-2.4 3,-2.1 1,-0.2 4,-0.5 0.910 101.1 54.8 -49.3 -47.1 10.4 8.6 33.7 116 118 A I H >< S+ 0 0 2 -4,-1.5 3,-1.7 1,-0.3 -1,-0.2 0.884 99.7 63.7 -58.1 -34.0 11.8 12.2 34.1 117 119 A T T 3< S+ 0 0 37 -4,-1.1 -1,-0.3 -3,-0.3 -2,-0.2 0.679 93.7 60.4 -62.0 -21.5 13.4 11.6 30.7 118 120 A K T <4 S- 0 0 131 -3,-2.1 -1,-0.3 -4,-0.5 -2,-0.2 0.604 97.1-144.0 -86.5 -11.5 9.9 11.3 29.1 119 121 A E << + 0 0 26 -3,-1.7 2,-0.6 -4,-0.5 -3,-0.1 0.823 34.0 165.4 55.5 39.2 9.1 14.8 30.2 120 122 A H - 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0 0 0 -4,-2.5 -1,-0.2 -5,-0.2 3,-0.1 -0.880 63.1-160.9-115.3 107.9 32.3 16.0 43.3 313 38 B P S S+ 0 0 27 0, 0.0 -271,-2.6 0, 0.0 2,-0.4 0.584 87.5 42.2 -59.9 -19.7 29.4 17.7 45.2 314 39 B D E S+C 41 0A 20 -33,-0.3 -30,-2.1 -273,-0.2 2,-0.5 -0.848 75.3 162.9-133.1 100.5 29.0 20.4 42.6 315 40 B L E -Co 40 284A 0 -275,-2.6 -275,-3.2 -2,-0.4 2,-0.5 -0.962 19.4-166.1-128.0 124.2 29.2 19.0 39.0 316 41 B H E -Co 39 285A 24 -32,-2.7 -30,-3.4 -2,-0.5 2,-0.5 -0.929 7.8-163.0-114.4 126.5 28.1 20.7 35.8 317 42 B I E +Co 38 286A 0 -279,-3.0 -279,-2.3 -2,-0.5 2,-0.4 -0.947 10.1 178.0-117.2 121.5 27.8 18.6 32.7 318 43 B L E -Co 37 287A 10 -32,-3.0 -30,-3.1 -2,-0.5 2,-0.4 -0.981 17.7-145.9-126.0 132.7 27.6 20.2 29.2 319 44 B H E - o 0 288A 13 -283,-2.3 -30,-0.2 -2,-0.4 2,-0.2 -0.741 18.5-130.1 -89.0 140.4 27.4 18.6 25.8 320 45 B T - 0 0 15 -32,-2.5 3,-0.1 -2,-0.4 4,-0.0 -0.585 23.0-179.8 -76.9 153.3 29.0 20.2 22.8 321 46 B K + 0 0 142 1,-0.4 2,-0.3 -2,-0.2 -1,-0.1 0.574 64.9 22.2-119.5 -32.2 26.8 20.6 19.7 322 47 B E S > S- 0 0 139 1,-0.0 3,-2.0 0, 0.0 -1,-0.4 -0.912 92.8 -81.4-134.8 160.1 29.2 22.2 17.2 323 48 B Q T 3 S+ 0 0 145 -2,-0.3 25,-0.0 1,-0.3 -2,-0.0 -0.353 117.6 32.7 -58.0 139.6 32.9 22.6 16.7 324 49 B G T 3> S+ 0 0 15 -3,-0.0 4,-2.4 24,-0.0 -1,-0.3 0.236 87.4 107.9 93.9 -13.5 34.3 25.4 18.9 325 50 B D H <> S+ 0 0 21 -3,-2.0 4,-2.7 2,-0.2 5,-0.2 0.919 77.0 50.2 -63.2 -45.2 31.8 24.6 21.6 326 51 B A H > S+ 0 0 0 -4,-0.3 4,-2.6 1,-0.2 5,-0.2 0.947 110.7 50.8 -59.3 -46.3 34.4 23.1 23.9 327 52 B T H > S+ 0 0 10 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.933 112.0 47.2 -53.4 -48.6 36.6 26.2 23.4 328 53 B K H X S+ 0 0 79 -4,-2.4 4,-2.2 1,-0.2 -1,-0.2 0.871 111.1 50.4 -65.9 -38.8 33.6 28.4 24.3 329 54 B Y H X S+ 0 0 36 -4,-2.7 4,-2.8 2,-0.2 5,-0.3 0.899 109.0 51.7 -65.6 -42.2 32.7 26.5 27.4 330 55 B C H X S+ 0 0 0 -4,-2.6 4,-2.0 1,-0.2 -2,-0.2 0.939 112.7 45.8 -59.3 -46.4 36.2 26.5 28.7 331 56 B Q H < S+ 0 0 20 -4,-2.2 4,-0.4 -5,-0.2 -1,-0.2 0.870 114.2 48.4 -69.6 -33.5 36.3 30.3 28.3 332 57 B E H < S+ 0 0 67 -4,-2.2 3,-0.3 -5,-0.2 -2,-0.2 0.941 122.9 30.5 -71.0 -42.8 32.9 30.8 29.8 333 58 B F H >X S+ 0 0 18 -4,-2.8 3,-1.6 1,-0.2 4,-1.5 0.565 89.8 96.6 -95.3 -6.8 33.5 28.6 32.9 334 59 B A T 3< S+ 0 0 4 -4,-2.0 3,-0.2 1,-0.3 -1,-0.2 0.866 91.2 43.3 -50.8 -37.9 37.3 29.0 33.4 335 60 B S T 34 S+ 0 0 42 -4,-0.4 -1,-0.3 -3,-0.3 -2,-0.1 0.642 117.3 46.6 -86.8 -9.1 36.8 31.7 36.0 336 61 B K T <4 S+ 0 0 72 -3,-1.6 2,-0.3 -4,-0.1 -2,-0.2 0.528 105.0 52.2-113.6 -5.1 33.9 29.9 37.8 337 62 B V < - 0 0 14 -4,-1.5 -53,-0.2 -3,-0.2 3,-0.1 -0.867 59.5-144.5-128.7 167.2 35.1 26.3 38.3 338 63 B D S S+ 0 0 61 -55,-2.7 26,-1.6 -2,-0.3 2,-0.4 0.654 86.0 29.9-102.1 -18.7 38.1 24.5 39.8 339 64 B L E -pq 284 364A 0 -56,-1.1 -54,-2.6 24,-0.2 2,-0.5 -0.996 59.4-162.7-147.4 132.5 38.4 21.6 37.4 340 65 B I E -pq 285 365A 0 24,-2.8 26,-2.7 -2,-0.4 2,-0.5 -0.981 10.4-166.2-117.7 123.0 37.4 21.1 33.8 341 66 B I E -pq 286 366A 0 -56,-3.3 -54,-3.3 -2,-0.5 2,-0.5 -0.932 3.3-160.3-107.9 133.9 37.1 17.6 32.5 342 67 B V E -pq 287 367A 0 24,-2.5 26,-3.0 -2,-0.5 2,-0.6 -0.960 6.5-165.5-119.0 126.3 36.9 16.9 28.8 343 68 B F E +pq 288 368A 1 -56,-2.7 -54,-2.2 -2,-0.5 2,-0.3 -0.952 54.3 75.0-108.4 110.4 35.5 13.7 27.3 344 69 B G E S- q 0 369A 0 24,-1.6 26,-1.8 -2,-0.6 27,-0.5 -0.933 75.9 -79.4 166.4 177.2 36.5 13.5 23.6 345 70 B G > - 0 0 10 25,-0.5 4,-2.4 -2,-0.3 3,-0.2 0.046 66.4 -62.3 -91.1-159.3 39.5 12.8 21.4 346 71 B D H > S+ 0 0 41 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.858 130.1 54.2 -57.7 -41.1 42.5 14.8 20.3 347 72 B G H > S+ 0 0 46 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.911 111.0 44.6 -60.9 -46.1 40.4 17.5 18.5 348 73 B T H > S+ 0 0 16 -3,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.909 112.2 51.9 -66.7 -43.2 38.2 18.2 21.6 349 74 B V H X S+ 0 0 13 -4,-2.4 4,-2.2 1,-0.2 -1,-0.2 0.886 109.6 51.5 -58.4 -37.7 41.3 18.3 23.9 350 75 B F H X S+ 0 0 11 -4,-2.2 4,-2.6 2,-0.2 5,-0.2 0.886 104.6 55.1 -70.3 -40.3 42.8 20.8 21.5 351 76 B E H X S+ 0 0 26 -4,-2.2 4,-1.7 1,-0.2 -1,-0.2 0.927 110.4 47.6 -54.0 -44.6 39.7 22.9 21.6 352 77 B C H X S+ 0 0 0 -4,-2.1 4,-2.6 2,-0.2 5,-0.3 0.895 108.7 53.6 -65.1 -39.5 40.2 22.9 25.4 353 78 B T H X S+ 0 0 0 -4,-2.2 4,-2.2 1,-0.2 -2,-0.2 0.938 112.6 43.2 -60.3 -46.1 43.9 23.8 25.1 354 79 B N H < S+ 0 0 37 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.764 113.2 55.1 -69.7 -27.3 43.1 26.8 22.9 355 80 B G H < S+ 0 0 0 -4,-1.7 -2,-0.2 -5,-0.2 -1,-0.2 0.970 119.5 27.1 -65.3 -55.2 40.3 27.7 25.2 356 81 B L H >< S+ 0 0 0 -4,-2.6 3,-1.9 1,-0.2 -2,-0.2 0.818 102.8 75.1 -83.2 -35.7 42.3 27.9 28.4 357 82 B A T 3< S+ 0 0 3 -4,-2.2 -1,-0.2 -5,-0.3 -3,-0.1 0.842 97.1 46.9 -56.1 -40.4 45.9 28.7 27.4 358 83 B P T 3 S+ 0 0 30 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.629 94.1 101.4 -80.0 -5.0 45.4 32.4 26.7 359 84 B L < - 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