==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=10-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE/DNA 08-SEP-99 1D02 . COMPND 2 MOLECULE: DNA (5'-D(*GP*CP*CP*AP*AP*TP*TP*GP*GP*C)-3'); . SOURCE 2 SYNTHETIC: YES; . AUTHOR M.DEIBERT,S.GRAZULIS,A.JANULAITIS,V.SIKSNYS,R.HUBER . 397 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 18746.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 262 66.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 24 6.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 23 5.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.5 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 . 29 7.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 71 17.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 91 22.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 1.8 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 1 0 2 1 1 6 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 2 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 . 0 0 0 1 3 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 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 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 6 A L 0 0 143 0, 0.0 84,-0.1 0, 0.0 32,-0.0 0.000 360.0 360.0 360.0 112.1 -1.4 62.3 50.5 2 7 A S - 0 0 86 1,-0.1 32,-0.5 31,-0.0 0, 0.0 -0.291 360.0-143.6 -65.5 150.8 -3.1 59.3 48.8 3 8 A G + 0 0 18 30,-0.1 -1,-0.1 31,-0.1 30,-0.1 0.243 52.1 139.4 -97.9 12.8 -0.8 56.6 47.5 4 9 A R - 0 0 208 1,-0.1 30,-0.2 2,-0.0 2,-0.2 -0.294 46.7-133.7 -59.2 139.5 -3.0 56.0 44.4 5 10 A L - 0 0 14 28,-0.1 2,-1.6 29,-0.1 3,-0.2 -0.580 18.1-108.1 -96.3 160.3 -1.0 55.4 41.2 6 11 A N > + 0 0 43 23,-3.0 4,-1.8 1,-0.2 25,-0.2 -0.549 45.9 161.6 -89.1 74.1 -1.6 57.0 37.8 7 12 A W H > S+ 0 0 86 -2,-1.6 4,-2.4 1,-0.2 -1,-0.2 0.810 72.8 60.8 -63.8 -28.6 -3.0 54.1 35.9 8 13 A Q H > S+ 0 0 173 -3,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.952 104.8 46.7 -63.7 -46.0 -4.5 56.5 33.3 9 14 A A H > S+ 0 0 23 1,-0.2 4,-1.9 2,-0.2 -2,-0.2 0.898 112.5 50.8 -61.6 -41.0 -1.0 57.8 32.4 10 15 A L H X S+ 0 0 7 -4,-1.8 4,-2.5 1,-0.2 -1,-0.2 0.922 107.3 52.9 -63.5 -41.9 0.4 54.2 32.2 11 16 A A H X S+ 0 0 55 -4,-2.4 4,-2.6 1,-0.2 -1,-0.2 0.864 107.6 53.0 -61.7 -32.7 -2.5 53.2 29.9 12 17 A G H X S+ 0 0 38 -4,-1.8 4,-1.7 2,-0.2 -1,-0.2 0.886 107.2 50.6 -68.2 -38.9 -1.5 56.2 27.7 13 18 A L H <>S+ 0 0 28 -4,-1.9 5,-0.8 2,-0.2 3,-0.3 0.950 112.9 46.2 -61.8 -48.4 2.1 55.0 27.5 14 19 A K H ><5S+ 0 0 124 -4,-2.5 3,-1.5 1,-0.2 -2,-0.2 0.920 112.5 50.6 -59.1 -46.1 0.9 51.5 26.5 15 20 A A H 3<5S+ 0 0 88 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.763 97.8 67.2 -64.8 -27.5 -1.5 53.0 24.0 16 21 A S T 3<5S- 0 0 77 -4,-1.7 -1,-0.3 -3,-0.3 -2,-0.2 0.361 105.2-129.3 -75.7 7.5 1.3 55.1 22.5 17 22 A G T < 5 + 0 0 67 -3,-1.5 -3,-0.1 1,-0.2 -2,-0.1 0.438 54.6 155.0 60.1 -2.8 2.8 51.8 21.3 18 23 A A < - 0 0 31 -5,-0.8 2,-0.3 1,-0.1 -1,-0.2 -0.241 56.2-101.0 -57.4 139.9 6.0 53.0 22.9 19 24 A E - 0 0 147 -3,-0.1 2,-0.4 1,-0.1 -1,-0.1 -0.494 42.6-133.9 -63.5 121.4 8.4 50.2 23.9 20 25 A Q + 0 0 51 -2,-0.3 2,-0.3 -3,-0.1 -1,-0.1 -0.669 32.1 168.2 -85.6 130.6 7.9 49.8 27.7 21 26 A N > - 0 0 65 -2,-0.4 4,-2.2 1,-0.0 5,-0.2 -0.829 52.7 -92.7-128.7 169.4 11.0 49.6 29.9 22 27 A L H > S+ 0 0 2 -2,-0.3 4,-2.4 1,-0.2 5,-0.3 0.865 121.0 50.8 -55.1 -38.9 11.0 49.9 33.7 23 28 A Y H > S+ 0 0 37 2,-0.2 4,-2.7 1,-0.2 5,-0.3 0.956 110.9 42.2 -68.9 -51.0 11.8 53.6 33.6 24 29 A N H > S+ 0 0 34 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.881 115.4 55.1 -66.7 -27.8 9.1 54.9 31.3 25 30 A V H X S+ 0 0 0 -4,-2.2 4,-2.4 2,-0.2 -2,-0.2 0.971 114.0 35.9 -66.7 -54.0 6.6 52.6 33.0 26 31 A F H X S+ 0 0 0 -4,-2.4 4,-1.6 -5,-0.2 -2,-0.2 0.888 114.9 57.3 -69.6 -33.3 7.2 53.8 36.5 27 32 A N H < S+ 0 0 83 -4,-2.7 4,-0.5 -5,-0.3 -1,-0.2 0.931 111.3 43.4 -60.4 -43.8 7.7 57.4 35.3 28 33 A A H >< S+ 0 0 6 -4,-2.1 3,-1.3 -5,-0.3 -18,-0.2 0.958 114.5 47.6 -67.2 -48.5 4.2 57.3 33.7 29 34 A V H 3< S+ 0 0 0 -4,-2.4 -23,-3.0 1,-0.3 -1,-0.2 0.697 110.3 54.2 -69.3 -15.7 2.4 55.6 36.6 30 35 A F T >< S+ 0 0 9 -4,-1.6 3,-2.5 -5,-0.2 5,-0.3 0.539 74.9 128.6 -95.4 -4.1 4.0 58.0 39.2 31 36 A E T < S- 0 0 112 -3,-1.3 -22,-0.1 -4,-0.5 3,-0.1 -0.320 86.4 -0.5 -56.7 121.7 2.8 61.2 37.4 32 37 A G T 3 S+ 0 0 92 1,-0.3 -1,-0.3 -2,-0.1 2,-0.2 0.575 110.4 115.0 75.7 11.8 1.1 63.4 40.0 33 38 A T S < S- 0 0 30 -3,-2.5 -1,-0.3 2,-0.3 -30,-0.1 -0.463 82.9-106.2-103.6 179.1 1.6 60.9 42.8 34 39 A K S S+ 0 0 22 -32,-0.5 50,-3.0 -30,-0.2 51,-0.4 0.265 96.0 86.6 -88.7 13.7 3.6 61.1 46.0 35 40 A Y E -A 83 0A 8 -5,-0.3 2,-0.3 48,-0.2 -2,-0.3 -0.857 55.0-172.4-114.0 150.5 6.2 58.7 44.4 36 41 A V E -A 82 0A 50 46,-2.0 46,-2.6 -2,-0.3 2,-0.4 -0.990 14.8-139.0-138.3 146.7 9.2 59.5 42.2 37 42 A L E -A 81 0A 15 -2,-0.3 2,-0.4 44,-0.2 44,-0.2 -0.842 12.0-160.8-104.3 143.2 11.5 57.2 40.3 38 43 A Y E -A 80 0A 77 42,-2.7 42,-1.6 -2,-0.4 2,-0.5 -0.981 7.4-150.7-121.1 135.4 15.3 57.8 40.0 39 44 A E E S-A 79 0A 130 -2,-0.4 40,-0.2 1,-0.3 39,-0.1 -0.882 87.4 -2.3 -98.9 137.8 17.5 56.2 37.3 40 45 A K S S- 0 0 149 38,-1.9 -1,-0.3 -2,-0.5 38,-0.1 0.940 91.2-156.6 45.3 60.1 21.0 55.6 38.6 41 46 A P - 0 0 5 0, 0.0 3,-0.2 0, 0.0 -1,-0.1 -0.234 11.9-147.2 -62.4 154.8 20.3 57.2 42.1 42 47 A K > + 0 0 169 1,-0.1 3,-1.9 34,-0.1 4,-0.1 0.394 66.7 106.4-108.5 3.2 23.3 58.6 44.1 43 48 A H T 3 S+ 0 0 71 1,-0.3 3,-0.3 2,-0.1 -1,-0.1 0.722 86.4 42.7 -53.6 -28.6 22.2 57.9 47.7 44 49 A L T 3 S+ 0 0 1 31,-0.3 31,-2.5 -3,-0.2 -1,-0.3 0.033 80.8 106.7-110.9 26.6 24.7 55.1 48.1 45 50 A K S < S+ 0 0 60 -3,-1.9 2,-0.4 29,-0.3 -1,-0.2 0.501 71.4 59.2 -83.4 -5.0 27.7 56.6 46.3 46 51 A N S S+ 0 0 72 -3,-0.3 28,-0.2 26,-0.2 -1,-0.2 -0.649 70.3 102.1-128.6 78.9 29.8 57.3 49.5 47 52 A L S S+ 0 0 12 26,-2.5 27,-0.2 -2,-0.4 -1,-0.1 0.733 71.7 42.1-123.7 -39.4 30.4 54.0 51.3 48 53 A Y S > S+ 0 0 4 25,-3.1 3,-1.8 -3,-0.1 26,-0.1 0.789 90.6 68.2 -92.3 -36.9 33.9 52.5 50.8 49 54 A A T 3 S+ 0 0 3 24,-0.4 -1,-0.1 1,-0.3 23,-0.1 0.837 101.7 54.3 -56.2 -33.7 36.8 55.0 50.9 50 55 A Q T 3 S+ 0 0 99 23,-0.2 -1,-0.3 21,-0.1 -2,-0.1 0.456 77.9 125.6 -81.1 -1.4 36.1 55.6 54.6 51 56 A V < - 0 0 23 -3,-1.8 2,-0.6 1,-0.1 -3,-0.1 -0.400 63.0-127.0 -62.6 131.8 36.4 51.9 55.5 52 57 A V - 0 0 131 -2,-0.1 -1,-0.1 308,-0.1 -2,-0.1 -0.729 25.4-162.6 -85.9 119.9 39.0 51.4 58.2 53 58 A L - 0 0 15 -2,-0.6 5,-0.1 1,-0.0 307,-0.0 -0.867 26.6-105.2-106.7 138.0 41.6 48.9 57.3 54 59 A P >> - 0 0 79 0, 0.0 4,-2.1 0, 0.0 3,-1.1 -0.239 31.3-118.6 -55.4 145.3 43.9 47.2 59.8 55 60 A D H 3> S+ 0 0 119 1,-0.3 4,-1.5 2,-0.2 5,-0.1 0.761 115.3 62.6 -58.7 -23.6 47.5 48.6 59.6 56 61 A D H 3> S+ 0 0 104 2,-0.2 4,-0.5 1,-0.2 -1,-0.3 0.855 106.4 43.3 -69.9 -34.9 48.6 45.1 58.7 57 62 A V H X> S+ 0 0 31 -3,-1.1 4,-1.1 2,-0.2 3,-1.0 0.895 107.5 58.9 -76.6 -42.6 46.4 45.2 55.5 58 63 A I H >< S+ 0 0 46 -4,-2.1 3,-0.6 1,-0.3 -2,-0.2 0.891 103.6 53.4 -53.2 -42.5 47.4 48.8 54.6 59 64 A K H 3< S+ 0 0 152 -4,-1.5 -1,-0.3 1,-0.2 -2,-0.2 0.781 110.7 47.0 -65.8 -26.3 51.0 47.7 54.4 60 65 A E H << S+ 0 0 76 -3,-1.0 -1,-0.2 -4,-0.5 -2,-0.2 0.584 103.9 67.0 -95.0 -9.9 50.2 44.9 52.0 61 66 A I S << S- 0 0 4 -4,-1.1 2,-0.4 -3,-0.6 294,-0.1 -0.529 91.8 -86.9-107.6 174.8 48.0 46.7 49.5 62 67 A F - 0 0 35 292,-2.6 -2,-0.1 239,-0.2 -1,-0.1 -0.682 37.3-162.3 -79.0 127.2 48.5 49.4 46.9 63 68 A N - 0 0 75 -2,-0.4 292,-0.1 -4,-0.1 3,-0.1 -0.809 9.3-158.1-116.0 91.9 48.1 52.8 48.4 64 69 A P - 0 0 23 0, 0.0 2,-1.3 0, 0.0 239,-0.0 -0.202 34.8 -96.0 -65.3 157.1 47.4 55.4 45.7 65 70 A L S S+ 0 0 188 2,-0.1 2,-0.3 0, 0.0 -2,-0.0 -0.632 78.5 134.6 -72.7 98.6 48.1 59.1 46.3 66 71 A I - 0 0 65 -2,-1.3 2,-1.3 -3,-0.1 3,-0.1 -0.983 62.9-126.0-155.9 140.4 44.5 59.9 47.2 67 72 A D > - 0 0 85 -2,-0.3 3,-1.5 1,-0.2 4,-0.4 -0.700 26.8-175.2 -87.6 91.7 42.5 61.9 49.8 68 73 A L G > S+ 0 0 47 -2,-1.3 3,-0.6 1,-0.3 -1,-0.2 0.727 75.1 69.5 -60.3 -24.2 40.2 59.1 51.0 69 74 A S G 3 S+ 0 0 100 1,-0.2 -1,-0.3 -3,-0.1 -19,-0.1 0.792 111.3 31.3 -66.5 -27.9 38.3 61.6 53.3 70 75 A T G < S+ 0 0 100 -3,-1.5 2,-0.4 -21,-0.1 -1,-0.2 0.296 96.7 108.3-112.2 8.5 36.8 63.3 50.2 71 76 A T < - 0 0 20 -3,-0.6 2,-0.7 -4,-0.4 -22,-0.2 -0.729 55.1-154.2 -88.2 130.7 36.7 60.2 47.9 72 77 A Q + 0 0 110 -2,-0.4 2,-0.5 -23,-0.1 -26,-0.2 -0.915 22.8 163.6-112.5 109.5 33.2 58.8 47.2 73 78 A W + 0 0 26 -2,-0.7 -25,-3.1 284,-0.0 -26,-2.5 -0.995 25.3 107.4-122.7 122.5 33.3 55.1 46.4 74 79 A G - 0 0 25 -2,-0.5 -29,-0.3 -28,-0.2 2,-0.3 -0.726 60.9 -59.2-163.0-146.9 30.0 53.2 46.6 75 80 A V - 0 0 13 -31,-2.5 -31,-0.3 -2,-0.2 -29,-0.1 -0.784 24.0-146.0-120.2 163.5 27.3 51.6 44.4 76 81 A S - 0 0 61 -2,-0.3 -34,-0.1 -33,-0.1 -36,-0.1 -0.854 19.6-150.3-130.2 93.1 24.9 52.8 41.7 77 82 A P - 0 0 2 0, 0.0 -37,-0.2 0, 0.0 16,-0.2 -0.193 23.1-121.0 -58.4 153.1 21.5 51.0 41.8 78 83 A A S S- 0 0 22 14,-1.3 -38,-1.9 1,-0.2 2,-0.3 0.905 87.8 -19.7 -63.2 -38.0 19.7 50.6 38.5 79 84 A F E -AB 39 92A 0 13,-1.6 13,-3.3 -40,-0.2 2,-0.3 -0.953 55.6-150.0-159.2 172.8 16.8 52.6 40.0 80 85 A A E -AB 38 91A 0 -42,-1.6 -42,-2.7 -2,-0.3 2,-0.5 -0.979 8.1-149.7-150.6 147.5 15.1 53.8 43.2 81 86 A I E -AB 37 90A 0 9,-2.5 9,-2.9 -2,-0.3 2,-0.4 -0.992 19.9-167.0-121.4 124.1 11.5 54.5 44.1 82 87 A E E -AB 36 89A 18 -46,-2.6 -46,-2.0 -2,-0.5 2,-0.8 -0.928 22.5-141.4-118.3 137.7 11.0 57.2 46.7 83 88 A N E > -A 35 0A 0 5,-2.3 4,-2.6 -2,-0.4 5,-0.5 -0.877 20.6-152.8 -90.5 109.5 7.8 58.1 48.7 84 89 A T T 4 S+ 0 0 63 -50,-3.0 -49,-0.1 -2,-0.8 -1,-0.1 0.539 87.5 51.9 -66.7 -6.5 8.3 61.9 48.7 85 90 A E T 4 S+ 0 0 97 -51,-0.4 -1,-0.2 3,-0.1 -50,-0.1 0.853 123.5 24.0 -94.4 -45.4 6.3 62.4 51.9 86 91 A T T 4 S- 0 0 46 110,-0.2 -2,-0.2 -3,-0.1 3,-0.1 0.634 94.6-138.3 -92.8 -16.7 8.1 59.9 54.2 87 92 A H < + 0 0 123 -4,-2.6 2,-0.2 1,-0.3 -3,-0.2 0.668 50.4 149.6 62.8 20.1 11.3 60.0 52.1 88 93 A K - 0 0 62 -5,-0.5 -5,-2.3 108,-0.4 2,-0.4 -0.601 31.6-154.4 -79.6 142.8 11.6 56.3 52.5 89 94 A I E -B 82 0A 6 44,-2.8 2,-0.6 -2,-0.2 46,-0.4 -0.978 17.2-155.4-129.9 136.5 13.3 54.8 49.4 90 95 A L E -B 81 0A 4 -9,-2.9 -9,-2.5 -2,-0.4 2,-0.3 -0.941 20.9-151.2-105.9 119.7 13.3 51.3 47.8 91 96 A F E -Bc 80 143A 1 51,-1.3 53,-1.8 -2,-0.6 2,-0.3 -0.728 18.0-166.5 -92.9 140.7 16.5 50.7 45.8 92 97 A G E -Bc 79 144A 0 -13,-3.3 -13,-1.6 -2,-0.3 -14,-1.3 -0.851 18.6-155.9-132.5 165.7 16.4 48.4 42.8 93 98 A E E - c 0 145A 30 51,-2.4 53,-2.8 -2,-0.3 2,-0.4 -0.906 10.5-147.6-130.5 158.4 18.3 46.4 40.3 94 99 A I E - c 0 146A 16 -2,-0.3 2,-0.6 51,-0.2 53,-0.2 -0.979 13.4-172.2-127.9 115.3 17.5 45.2 36.8 95 100 A K E - c 0 147A 22 51,-2.9 53,-2.5 -2,-0.4 2,-0.4 -0.913 2.7-174.6-114.3 110.4 19.1 41.9 35.7 96 101 A R E + c 0 148A 153 -2,-0.6 2,-0.3 51,-0.2 53,-0.2 -0.846 17.9 151.7-100.5 135.4 18.6 40.9 32.1 97 102 A Q - 0 0 33 51,-2.2 54,-2.5 -2,-0.4 55,-0.3 -0.992 40.9-110.8-162.2 153.9 19.8 37.5 30.9 98 103 A D - 0 0 120 -2,-0.3 2,-0.3 52,-0.2 56,-0.1 -0.114 39.2-174.7 -74.9 177.5 19.3 34.8 28.4 99 104 A G - 0 0 0 51,-0.1 2,-0.8 52,-0.1 10,-0.2 -0.995 35.0 -81.7-167.2 170.2 17.9 31.4 29.4 100 105 A W + 0 0 24 -2,-0.3 2,-0.2 9,-0.1 163,-0.2 -0.758 64.1 145.8 -84.4 110.8 17.0 27.8 28.6 101 106 A V > - 0 0 7 -2,-0.8 3,-2.3 4,-0.2 7,-0.1 -0.772 54.6 -41.4-135.3-177.8 13.6 28.0 27.0 102 107 A E T 3 S+ 0 0 96 1,-0.3 -1,-0.1 -2,-0.2 3,-0.1 -0.141 126.7 18.1 -54.5 137.6 11.6 26.2 24.2 103 108 A G T 3 S+ 0 0 89 1,-0.3 2,-0.3 -3,-0.1 -1,-0.3 0.416 110.2 95.4 84.5 -2.4 13.7 25.4 21.2 104 109 A K S < S- 0 0 102 -3,-2.3 -1,-0.3 2,-0.0 -4,-0.0 -0.816 71.9-118.9-121.4 159.5 17.0 25.9 23.1 105 110 A D > - 0 0 118 -2,-0.3 3,-2.2 -3,-0.1 4,-0.4 -0.530 37.1-102.8 -89.1 161.9 19.4 23.6 24.8 106 111 A P G > S+ 0 0 61 0, 0.0 3,-2.0 0, 0.0 -6,-0.1 0.799 117.4 71.8 -54.5 -29.6 20.2 23.9 28.6 107 112 A S G > S+ 0 0 67 1,-0.3 3,-1.8 2,-0.2 4,-0.2 0.773 82.8 69.1 -60.2 -24.3 23.5 25.5 27.6 108 113 A A G < S+ 0 0 35 -3,-2.2 3,-0.3 1,-0.3 -1,-0.3 0.777 104.6 43.5 -67.3 -18.8 21.6 28.7 26.5 109 114 A G G < S+ 0 0 3 -3,-2.0 -1,-0.3 -4,-0.4 -2,-0.2 0.183 81.4 106.1-108.4 17.8 20.8 29.1 30.2 110 115 A R < + 0 0 192 -3,-1.8 -1,-0.2 -11,-0.1 -2,-0.1 0.609 49.6 113.7 -71.3 -12.1 24.4 28.4 31.5 111 116 A G - 0 0 32 -3,-0.3 -14,-0.0 -4,-0.2 -3,-0.0 -0.252 39.7-178.4 -61.2 152.0 25.2 32.0 32.3 112 117 A N > + 0 0 62 2,-0.1 3,-2.1 1,-0.0 4,-0.3 0.218 47.3 112.1-135.4 10.7 25.6 33.0 35.9 113 118 A A G > + 0 0 48 1,-0.3 3,-2.2 2,-0.2 4,-0.2 0.791 68.0 73.0 -58.0 -27.5 26.3 36.8 35.8 114 119 A H G > S+ 0 0 0 1,-0.3 3,-1.7 2,-0.2 -1,-0.3 0.725 77.9 77.6 -60.3 -21.0 22.9 37.4 37.5 115 120 A E G X S+ 0 0 9 -3,-2.1 3,-2.3 1,-0.3 -1,-0.3 0.788 76.1 77.1 -58.6 -26.4 24.6 36.0 40.7 116 121 A R G X S+ 0 0 59 -3,-2.2 3,-1.9 1,-0.3 -1,-0.3 0.830 81.3 66.6 -53.9 -33.4 26.2 39.5 40.9 117 122 A S G X S+ 0 0 2 -3,-1.7 3,-1.7 1,-0.3 -1,-0.3 0.702 81.4 78.0 -64.2 -16.3 22.9 40.9 42.2 118 123 A C G X + 0 0 0 -3,-2.3 3,-2.2 1,-0.3 -1,-0.3 0.580 65.6 89.2 -71.3 -6.6 23.3 38.8 45.4 119 124 A K G X S+ 0 0 31 -3,-1.9 3,-1.5 1,-0.3 6,-0.3 0.782 76.4 69.9 -58.2 -22.5 25.8 41.4 46.6 120 125 A L G < S+ 0 0 3 -3,-1.7 -1,-0.3 1,-0.3 -2,-0.2 0.661 89.1 60.7 -70.2 -15.3 22.7 43.0 48.1 121 126 A F G < S+ 0 0 11 -3,-2.2 -1,-0.3 198,-0.1 -2,-0.2 0.487 77.5 113.0 -87.1 -6.0 22.4 40.2 50.6 122 127 A T S <> S- 0 0 0 -3,-1.5 4,-2.6 -4,-0.3 5,-0.3 -0.412 76.9-124.2 -66.6 144.0 25.8 41.0 52.1 123 128 A P H > S+ 0 0 20 0, 0.0 4,-2.3 0, 0.0 243,-0.2 0.869 108.4 55.2 -57.6 -35.0 25.4 42.3 55.7 124 129 A G H > S+ 0 0 2 241,-2.6 4,-2.1 1,-0.2 241,-0.2 0.937 112.2 40.0 -64.7 -46.2 27.3 45.5 54.9 125 130 A L H > S+ 0 0 0 -6,-0.3 4,-3.1 240,-0.3 5,-0.2 0.857 112.6 55.8 -72.9 -32.6 25.0 46.5 52.0 126 131 A L H X S+ 0 0 39 -4,-2.6 4,-2.7 2,-0.2 5,-0.2 0.955 110.9 46.2 -60.8 -45.9 21.9 45.4 53.8 127 132 A K H X S+ 0 0 106 -4,-2.3 4,-2.3 -5,-0.3 -2,-0.2 0.911 113.9 47.3 -61.6 -45.7 22.9 47.7 56.7 128 133 A A H X S+ 0 0 9 -4,-2.1 4,-2.7 2,-0.2 5,-0.3 0.918 113.4 48.5 -63.3 -44.6 23.7 50.6 54.3 129 134 A Y H X S+ 0 0 3 -4,-3.1 4,-3.2 2,-0.2 5,-0.5 0.941 112.0 48.1 -62.4 -47.8 20.4 50.2 52.4 130 135 A R H X S+ 0 0 19 -4,-2.7 4,-1.7 -5,-0.2 -1,-0.2 0.932 114.9 46.4 -59.6 -44.5 18.3 50.0 55.5 131 136 A T H < S+ 0 0 109 -4,-2.3 -2,-0.2 -5,-0.2 -1,-0.2 0.945 121.3 35.3 -62.5 -49.6 20.0 53.1 57.0 132 137 A I H < S+ 0 0 59 -4,-2.7 -2,-0.2 -5,-0.2 -3,-0.2 0.879 124.1 39.5 -76.7 -39.5 19.8 55.2 53.8 133 138 A G H < S- 0 0 2 -4,-3.2 -44,-2.8 -5,-0.3 -3,-0.2 0.710 97.0-133.2 -84.4 -22.8 16.5 54.0 52.4 134 139 A G < + 0 0 22 -4,-1.7 2,-1.3 -5,-0.5 3,-0.2 0.434 60.2 133.0 87.9 -2.4 14.7 53.9 55.8 135 140 A I + 0 0 5 -6,-0.4 -1,-0.2 -46,-0.4 -2,-0.1 -0.678 15.1 153.6 -85.5 95.1 13.0 50.5 55.3 136 141 A N + 0 0 105 -2,-1.3 2,-0.3 59,-0.1 -1,-0.2 0.539 27.4 119.9-100.6 -5.7 13.8 48.8 58.7 137 142 A D > - 0 0 79 58,-0.2 3,-1.2 1,-0.2 -2,-0.0 -0.427 56.5-150.3 -59.3 119.7 10.9 46.4 58.7 138 143 A E T 3 S+ 0 0 127 -2,-0.3 -1,-0.2 1,-0.2 -3,-0.0 0.601 84.8 80.6 -70.7 -10.8 12.6 43.0 58.9 139 144 A E T 3 S+ 0 0 125 2,-0.0 2,-0.3 29,-0.0 -1,-0.2 0.734 100.8 32.4 -66.7 -24.4 9.7 41.4 57.0 140 145 A I S < S- 0 0 9 -3,-1.2 28,-0.1 29,-0.1 52,-0.0 -0.917 84.1-116.2-132.0 154.9 11.1 42.6 53.7 141 146 A L - 0 0 7 -2,-0.3 -4,-0.1 2,-0.2 -20,-0.1 -0.605 30.9-118.9 -85.8 157.4 14.6 43.2 52.3 142 147 A P S S+ 0 0 2 0, 0.0 -51,-1.3 0, 0.0 2,-0.3 0.326 88.7 62.5 -81.1 8.1 15.4 46.8 51.4 143 148 A F E -c 91 0A 0 -53,-0.2 2,-0.4 -63,-0.0 -51,-0.2 -0.861 63.8-149.3-130.1 163.7 16.0 46.2 47.7 144 149 A W E -c 92 0A 0 -53,-1.8 -51,-2.4 -2,-0.3 2,-0.5 -0.981 8.7-159.4-136.1 121.9 14.0 44.9 44.7 145 150 A V E -cd 93 172A 0 26,-2.3 28,-1.9 -2,-0.4 2,-0.6 -0.906 5.2-160.7-104.1 123.3 15.6 42.9 41.9 146 151 A V E -cd 94 173A 0 -53,-2.8 -51,-2.9 -2,-0.5 2,-0.3 -0.917 7.9-155.8-105.2 119.8 13.7 42.9 38.6 147 152 A F E +cd 95 174A 0 26,-2.8 28,-2.6 -2,-0.6 2,-0.3 -0.763 14.9 178.7 -94.9 143.8 14.7 40.1 36.2 148 153 A E E +cd 96 175A 29 -53,-2.5 -51,-2.2 -2,-0.3 3,-0.4 -0.937 35.7 39.8-139.3 161.0 14.2 40.4 32.5 149 154 A G S > S- 0 0 31 26,-0.5 3,-1.9 -2,-0.3 -51,-0.2 -0.348 106.9 -41.9 94.4-177.4 14.9 38.2 29.4 150 155 A D G >> S+ 0 0 45 1,-0.3 3,-2.4 2,-0.2 4,-0.5 0.722 122.2 78.7 -62.8 -19.7 14.6 34.5 28.8 151 156 A I G >4 S+ 0 0 0 -54,-2.5 3,-1.2 -3,-0.4 -1,-0.3 0.867 84.9 65.3 -55.6 -30.8 16.1 33.8 32.3 152 157 A T G <4 S+ 0 0 0 -3,-1.9 -1,-0.3 -55,-0.3 -2,-0.2 0.583 108.2 36.8 -70.4 -8.1 12.7 34.6 33.6 153 158 A R G <4 S+ 0 0 50 -3,-2.4 110,-2.7 -4,-0.1 -1,-0.3 0.290 86.8 117.8-122.4 6.6 11.2 31.5 31.9 154 159 A D S+ 0 0 0 0, 0.0 4,-0.9 0, 0.0 -1,-0.1 0.789 98.3 41.7 -60.6 -29.7 13.0 26.2 34.6 156 161 A K H > S+ 0 0 54 -56,-0.2 4,-2.6 2,-0.2 5,-0.2 0.916 116.7 45.0 -84.3 -49.6 16.4 26.0 36.3 157 162 A R H > S+ 0 0 21 2,-0.2 4,-2.6 1,-0.2 5,-0.3 0.886 112.0 52.6 -63.4 -39.7 17.1 29.7 36.8 158 163 A V H X S+ 0 0 2 -4,-2.7 4,-2.2 1,-0.2 -1,-0.2 0.942 114.0 42.4 -64.0 -43.3 13.6 30.4 38.1 159 164 A R H X S+ 0 0 12 -4,-0.9 4,-2.9 -5,-0.3 -2,-0.2 0.889 112.6 54.4 -69.9 -36.4 13.8 27.7 40.7 160 165 A E H X S+ 0 0 5 -4,-2.6 4,-2.6 2,-0.2 -2,-0.2 0.935 112.4 43.0 -60.5 -47.7 17.4 28.7 41.6 161 166 A I H X S+ 0 0 0 -4,-2.6 4,-2.3 2,-0.2 -1,-0.2 0.899 112.3 53.3 -68.0 -38.2 16.3 32.3 42.3 162 167 A T H X S+ 0 0 18 -4,-2.2 4,-1.3 -5,-0.3 -2,-0.2 0.959 110.9 47.9 -59.3 -47.1 13.2 31.1 44.1 163 168 A F H < S+ 0 0 50 -4,-2.9 3,-0.5 1,-0.2 -2,-0.2 0.915 109.8 52.6 -58.1 -48.2 15.5 28.9 46.3 164 169 A W H < S+ 0 0 0 -4,-2.6 161,-2.4 1,-0.2 162,-0.2 0.917 109.1 48.3 -54.9 -49.3 17.9 31.8 47.0 165 170 A Y H >< S+ 0 0 0 -4,-2.3 3,-2.7 1,-0.2 -1,-0.2 0.710 80.3 169.8 -70.0 -21.1 15.2 34.2 48.1 166 171 A D T 3< S+ 0 0 50 -4,-1.3 3,-0.3 -3,-0.5 -1,-0.2 -0.160 72.4 3.5 49.4-121.7 13.6 31.7 50.5 167 172 A H T 3 S+ 0 0 116 1,-0.2 -1,-0.3 2,-0.1 3,-0.2 0.376 121.1 75.4 -79.7 10.7 11.1 33.6 52.6 168 173 A Y X + 0 0 34 -3,-2.7 3,-1.6 1,-0.2 -1,-0.2 -0.372 53.1 147.0-113.1 54.6 11.6 36.9 50.8 169 174 A Q T 3 + 0 0 64 -3,-0.3 3,-0.5 1,-0.3 -1,-0.2 0.620 65.2 58.9 -67.9 -13.7 9.7 36.0 47.7 170 175 A D T 3 S+ 0 0 54 1,-0.2 -1,-0.3 -3,-0.2 21,-0.1 0.541 84.1 81.1 -94.5 -1.5 8.4 39.5 47.1 171 176 A N S < S+ 0 0 0 -3,-1.6 -26,-2.3 -27,-0.1 2,-0.3 0.402 95.2 43.0 -84.2 3.6 11.9 41.0 46.8 172 177 A Y E -d 145 0A 26 -3,-0.5 2,-0.4 -28,-0.2 -26,-0.2 -0.950 66.7-161.9-138.6 159.3 12.4 40.0 43.2 173 178 A F E -d 146 0A 33 -28,-1.9 -26,-2.8 -2,-0.3 2,-0.8 -0.988 15.2-140.5-144.2 135.6 10.0 40.1 40.3 174 179 A M E -d 147 0A 14 -2,-0.4 2,-1.2 -28,-0.2 -26,-0.2 -0.861 14.6-164.2 -96.9 104.3 10.2 38.1 37.0 175 180 A W E -d 148 0A 20 -28,-2.6 -26,-0.5 -2,-0.8 -23,-0.2 -0.767 22.1-153.5 -93.3 96.9 9.1 40.6 34.2 176 181 A R > - 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0 0 73 1,-0.1 4,-0.3 3,-0.0 3,-0.2 -0.291 360.0-130.6 -67.5 148.6 42.8 20.2 73.0 201 5 B E S > S+ 0 0 113 1,-0.2 3,-1.7 2,-0.2 4,-0.2 0.914 105.8 58.2 -63.1 -43.6 45.1 21.9 70.6 202 6 B L G > S+ 0 0 117 1,-0.3 3,-1.5 2,-0.2 -1,-0.2 0.859 93.3 65.4 -56.2 -38.0 47.0 18.7 69.9 203 7 B S G 3 S+ 0 0 52 1,-0.3 -1,-0.3 -3,-0.2 -2,-0.2 0.650 114.8 31.1 -63.3 -13.9 43.9 16.8 68.7 204 8 B G G < S+ 0 0 7 -3,-1.7 -1,-0.3 -4,-0.3 -2,-0.2 0.185 82.7 145.8-127.2 15.5 43.6 19.2 65.7 205 9 B R < - 0 0 133 -3,-1.5 2,-0.1 -4,-0.2 -3,-0.1 -0.325 42.0-134.5 -61.7 130.7 47.2 20.1 65.0 206 10 B L - 0 0 4 -2,-0.1 2,-1.5 1,-0.1 3,-0.2 -0.334 22.6-103.5 -82.0 164.3 47.9 20.6 61.3 207 11 B N >> + 0 0 40 23,-3.1 4,-1.5 1,-0.2 3,-0.5 -0.568 48.2 163.9 -91.0 75.5 51.0 19.2 59.5 208 12 B W H 3> S+ 0 0 69 -2,-1.5 4,-2.3 1,-0.2 -1,-0.2 0.786 71.0 60.5 -63.0 -29.9 53.1 22.3 59.2 209 13 B Q H 3> S+ 0 0 152 2,-0.2 4,-2.0 -3,-0.2 -1,-0.2 0.887 102.8 50.7 -66.8 -37.6 56.2 20.3 58.4 210 14 B A H <> S+ 0 0 20 -3,-0.5 4,-1.8 2,-0.2 -1,-0.2 0.900 111.4 48.6 -66.7 -39.1 54.6 18.8 55.2 211 15 B L H X S+ 0 0 7 -4,-1.5 4,-2.7 2,-0.2 -2,-0.2 0.902 109.2 52.2 -66.3 -40.4 53.6 22.4 54.1 212 16 B A H X S+ 0 0 57 -4,-2.3 4,-2.9 1,-0.2 -1,-0.2 0.890 107.6 53.8 -62.9 -35.9 57.1 23.6 54.8 213 17 B G H X S+ 0 0 40 -4,-2.0 4,-1.3 2,-0.2 -1,-0.2 0.917 107.7 49.5 -63.4 -42.6 58.4 20.8 52.6 214 18 B L H >X>S+ 0 0 29 -4,-1.8 5,-0.6 2,-0.2 3,-0.5 0.940 112.2 48.4 -60.9 -45.9 56.1 21.9 49.8 215 19 B K H ><5S+ 0 0 126 -4,-2.7 3,-1.6 1,-0.2 -2,-0.2 0.951 110.6 50.9 -60.5 -45.5 57.4 25.4 50.1 216 20 B A H 3<5S+ 0 0 88 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.729 98.2 67.8 -65.0 -22.2 61.0 24.2 50.2 217 21 B S H <<5S- 0 0 78 -4,-1.3 -1,-0.3 -3,-0.5 -2,-0.2 0.635 101.7-129.1 -71.7 -18.1 60.5 22.2 47.0 218 22 B G T <<5 + 0 0 65 -3,-1.6 -3,-0.1 -4,-0.5 -2,-0.1 0.343 56.5 148.9 84.2 -8.4 60.0 25.3 44.9 219 23 B A < - 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0 0 106 -2,-0.3 3,-2.4 1,-0.1 4,-0.2 -0.536 38.8-110.2 -78.0 151.9 45.5 52.7 35.3 307 111 B P G > S+ 0 0 71 0, 0.0 3,-2.1 0, 0.0 -6,-0.1 0.804 115.4 72.1 -55.7 -25.9 42.6 52.8 37.8 308 112 B S G > S+ 0 0 54 1,-0.3 3,-1.8 2,-0.2 4,-0.2 0.715 78.2 76.7 -62.4 -20.0 40.4 51.2 35.1 309 113 B A G < S+ 0 0 35 -3,-2.4 3,-0.3 1,-0.3 -1,-0.3 0.721 96.2 49.0 -63.3 -17.6 42.3 48.0 35.6 310 114 B G G < S+ 0 0 6 -3,-2.1 -1,-0.3 -4,-0.2 -2,-0.2 0.219 77.7 102.2-105.5 16.0 40.2 47.6 38.8 311 115 B R < + 0 0 191 -3,-1.8 -1,-0.2 -11,-0.1 -2,-0.1 0.612 51.8 120.0 -75.7 -9.6 36.8 48.2 37.3 312 116 B G + 0 0 29 -3,-0.3 -14,-0.0 -4,-0.2 -3,-0.0 -0.182 34.2 176.1 -59.2 147.0 35.9 44.5 37.3 313 117 B N > + 0 0 64 2,-0.1 3,-1.9 1,-0.1 4,-0.2 0.295 46.8 107.3-135.7 10.6 32.9 43.3 39.2 314 118 B A G > + 0 0 48 1,-0.3 3,-2.5 2,-0.2 4,-0.3 0.795 69.2 75.8 -63.3 -24.5 32.4 39.6 38.5 315 119 B H G > S+ 0 0 0 1,-0.3 3,-1.6 2,-0.2 4,-0.3 0.721 77.0 77.5 -58.5 -19.9 33.7 38.8 42.0 316 120 B E G X S+ 0 0 9 -3,-1.9 3,-2.0 1,-0.3 -1,-0.3 0.757 75.2 76.3 -59.5 -25.0 30.2 40.0 43.2 317 121 B R G X S+ 0 0 60 -3,-2.5 3,-1.9 1,-0.3 -1,-0.3 0.800 80.9 69.1 -56.5 -29.9 29.0 36.5 42.0 318 122 B S G X S+ 0 0 3 -3,-1.6 3,-1.8 1,-0.3 -1,-0.3 0.754 80.9 77.1 -62.4 -21.6 30.5 35.1 45.2 319 123 B C G X + 0 0 0 -3,-2.0 3,-2.2 -4,-0.3 -1,-0.3 0.551 66.0 89.0 -69.3 -5.6 27.9 36.9 47.2 320 124 B K G X S+ 0 0 28 -3,-1.9 3,-1.7 1,-0.3 6,-0.3 0.796 76.3 69.8 -58.7 -23.8 25.3 34.3 46.2 321 125 B L G < S+ 0 0 4 -3,-1.8 -1,-0.3 1,-0.3 -2,-0.2 0.663 89.5 61.4 -69.7 -15.0 26.5 32.5 49.3 322 126 B F G < S+ 0 0 10 -3,-2.2 -1,-0.3 -204,-0.1 -2,-0.2 0.508 76.6 113.4 -87.1 -6.6 24.8 35.2 51.4 323 127 B T S <> S- 0 0 0 -3,-1.7 4,-2.5 -4,-0.3 5,-0.2 -0.382 76.9-124.0 -63.9 144.1 21.3 34.4 50.1 324 128 B P H > S+ 0 0 20 0, 0.0 4,-2.2 0, 0.0 5,-0.2 0.878 109.3 56.1 -57.9 -34.1 19.1 33.0 52.8 325 129 B G H > S+ 0 0 2 -161,-2.4 4,-1.9 1,-0.2 -161,-0.2 0.920 111.2 39.1 -64.4 -47.7 18.5 29.9 50.7 326 130 B L H > S+ 0 0 0 -6,-0.3 4,-2.9 -162,-0.2 5,-0.2 0.844 112.2 58.0 -73.6 -32.2 22.1 28.9 50.2 327 131 B L H X S+ 0 0 37 -4,-2.5 4,-2.6 2,-0.2 5,-0.2 0.942 109.1 45.7 -60.1 -46.3 23.0 29.9 53.8 328 132 B K H X S+ 0 0 111 -4,-2.2 4,-2.3 -5,-0.2 5,-0.2 0.922 113.9 48.4 -62.9 -43.6 20.4 27.4 55.0 329 133 B A H X S+ 0 0 11 -4,-1.9 4,-2.6 2,-0.2 5,-0.3 0.929 113.4 47.4 -62.4 -44.3 21.5 24.7 52.7 330 134 B Y H X S+ 0 0 4 -4,-2.9 4,-2.8 1,-0.2 6,-0.4 0.919 113.0 47.6 -64.0 -44.4 25.2 25.2 53.6 331 135 B R H X S+ 0 0 43 -4,-2.6 4,-1.4 -5,-0.2 -1,-0.2 0.892 113.4 48.7 -66.0 -37.0 24.5 25.1 57.4 332 136 B T H < S+ 0 0 117 -4,-2.3 -2,-0.2 -5,-0.2 -1,-0.2 0.941 119.5 36.7 -66.7 -46.3 22.3 22.0 57.1 333 137 B I H < S+ 0 0 58 -4,-2.6 -2,-0.2 -5,-0.2 -3,-0.2 0.960 122.4 40.7 -74.6 -48.5 24.8 20.1 55.0 334 138 B G H < S- 0 0 2 -4,-2.8 -44,-2.1 -5,-0.3 -1,-0.2 0.683 99.6-129.2 -76.4 -19.9 28.0 21.2 56.6 335 139 B G < + 0 0 27 -4,-1.4 2,-0.9 -5,-0.3 -4,-0.1 0.515 61.6 133.4 87.0 4.7 26.8 21.1 60.2 336 140 B I + 0 0 2 -6,-0.4 -1,-0.2 -46,-0.3 -2,-0.1 -0.786 11.9 154.1 -96.0 101.8 27.9 24.7 61.2 337 141 B N + 0 0 111 -2,-0.9 2,-0.2 59,-0.1 -1,-0.2 0.408 25.6 129.8-105.0 2.3 25.1 26.5 63.0 338 142 B D > - 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0 0 26 -2,-1.1 3,-2.3 1,-0.1 -26,-0.1 -0.237 23.9 -85.8 -75.1 156.4 48.1 38.2 47.9 378 182 B P T 3 S+ 0 0 51 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.268 117.2 16.0 -56.0 138.6 50.6 37.7 45.1 379 183 B N T 3 S+ 0 0 175 1,-0.3 2,-0.2 -3,-0.1 -2,-0.1 0.381 93.5 130.7 77.8 -8.9 53.8 36.4 46.5 380 184 B E < - 0 0 64 -3,-2.3 -1,-0.3 1,-0.1 2,-0.1 -0.564 55.0-127.2 -78.0 142.9 52.2 35.3 49.8 381 185 B S >> - 0 0 23 -2,-0.2 4,-0.8 -3,-0.1 3,-0.6 -0.347 21.7-104.0 -85.2 172.5 53.1 31.8 50.8 382 186 B G H 3> S+ 0 0 0 1,-0.2 4,-2.6 2,-0.2 5,-0.3 0.789 110.4 74.3 -64.3 -30.1 50.6 29.0 51.7 383 187 B E H 3> S+ 0 0 92 1,-0.2 4,-2.8 2,-0.2 -1,-0.2 0.899 94.7 49.9 -51.4 -46.7 51.4 29.3 55.4 384 188 B K H <> S+ 0 0 56 -3,-0.6 4,-1.6 2,-0.2 -1,-0.2 0.883 110.2 51.4 -60.9 -40.2 49.4 32.6 55.7 385 189 B L H X S+ 0 0 0 -4,-0.8 4,-1.5 -3,-0.3 -2,-0.2 0.941 113.6 43.6 -61.5 -49.3 46.4 31.0 53.9 386 190 B V H X S+ 0 0 0 -4,-2.6 4,-3.6 1,-0.2 5,-0.2 0.888 107.6 59.6 -67.1 -36.9 46.4 28.0 56.3 387 191 B Q H X S+ 0 0 64 -4,-2.8 4,-2.8 -5,-0.3 5,-0.3 0.883 102.4 54.2 -60.6 -35.6 47.0 30.2 59.4 388 192 B H H X>S+ 0 0 14 -4,-1.6 4,-2.4 2,-0.2 5,-0.5 0.964 113.7 40.7 -62.1 -50.5 43.7 32.0 58.6 389 193 B F H X>S+ 0 0 0 -4,-1.5 5,-2.8 3,-0.2 4,-2.1 0.956 116.9 50.3 -59.5 -50.0 41.8 28.7 58.5 390 194 B N H <5S+ 0 0 43 -4,-3.6 5,-0.3 1,-0.2 -2,-0.2 0.897 119.6 33.8 -56.4 -46.4 43.7 27.4 61.5 391 195 B E H <5S+ 0 0 124 -4,-2.8 -1,-0.2 -5,-0.2 -2,-0.2 0.797 132.5 23.3 -83.3 -30.4 43.2 30.4 63.7 392 196 B K H <5S+ 0 0 74 -4,-2.4 -3,-0.2 -5,-0.3 -2,-0.2 0.696 129.7 21.0-114.2 -21.3 39.7 31.5 62.6 393 197 B L T >< S+ 0 0 121 1,-0.3 3,-1.1 -5,-0.3 -1,-0.3 0.720 92.7 65.4 -60.3 -22.4 37.3 25.4 65.5 396 200 B Y G < S+ 0 0 23 -3,-1.9 -1,-0.3 1,-0.2 -2,-0.2 0.582 94.6 58.9 -78.8 -6.3 34.0 25.6 63.8 397 201 B L G < 0 0 0 -3,-2.3 -108,-0.4 -4,-0.3 -1,-0.2 0.404 360.0 360.0 -98.1 0.5 34.5 22.1 62.5 398 202 B D < 0 0 70 -3,-1.1 -114,-0.0 -4,-0.2 -194,-0.0 -0.545 360.0 360.0 -81.3 360.0 34.9 20.7 66.0