==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=14-DEC-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ELECTRON TRANSPORT 16-SEP-11 3TU6 . COMPND 2 MOLECULE: PSEUDOAZURIN (BLUE COPPER PROTEIN); . SOURCE 2 ORGANISM_SCIENTIFIC: SINORHIZOBIUM MELILOTI; . AUTHOR E.M.LAMING,A.P.MCGRATH,J.M.GUSS,M.J.MAHER . 127 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 6641.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 84 66.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 11 8.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 22 17.3 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 . 1 0.8 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 . 16 12.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 12 9.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 16 12.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 1.6 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 1 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 1 1 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 . 1 1 1 1 0 1 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 1 1 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 1 A M 0 0 145 0, 0.0 2,-0.4 0, 0.0 30,-0.1 0.000 360.0 360.0 360.0 129.6 9.2 -10.0 29.4 2 2 A E - 0 0 114 26,-0.2 30,-2.0 2,-0.0 2,-0.5 -0.877 360.0-146.7-106.4 144.6 8.9 -10.0 25.6 3 3 A E E -a 32 0A 137 -2,-0.4 2,-0.2 28,-0.2 30,-0.2 -0.956 18.9-168.8-116.2 118.0 10.4 -7.2 23.4 4 4 A Y E -a 33 0A 79 28,-2.9 30,-2.9 -2,-0.5 2,-0.4 -0.633 10.8-139.6-108.6 162.9 8.6 -6.3 20.2 5 5 A R E -a 34 0A 163 -2,-0.2 2,-0.4 28,-0.2 30,-0.2 -0.974 10.8-172.9-125.4 134.4 9.5 -4.1 17.2 6 6 A V E -a 35 0A 0 28,-2.3 30,-2.4 -2,-0.4 2,-0.3 -0.976 19.4-145.7-124.6 116.2 7.3 -1.7 15.2 7 7 A E E -aB 36 21A 53 14,-3.0 14,-2.6 -2,-0.4 2,-0.7 -0.617 5.1-141.9 -82.9 137.1 9.0 -0.3 12.0 8 8 A M E + B 0 20A 0 28,-3.1 31,-1.9 -2,-0.3 2,-0.3 -0.899 37.4 175.3 -99.0 113.2 8.2 3.3 11.0 9 9 A L E - B 0 19A 12 10,-2.5 10,-2.5 -2,-0.7 3,-0.2 -0.873 46.6-147.3-129.9 150.4 8.0 3.1 7.2 10 10 A N E S+ 0 0 68 -2,-0.3 8,-2.8 1,-0.3 2,-0.4 0.863 100.3 24.1 -75.7 -41.0 7.2 5.2 4.1 11 11 A K E S- B 0 17A 127 6,-0.2 -1,-0.3 7,-0.1 6,-0.2 -0.988 78.3-157.0-132.0 122.5 5.8 2.1 2.3 12 12 A A > - 0 0 9 4,-2.4 3,-0.9 -2,-0.4 9,-0.0 -0.309 32.0-105.5 -90.0 175.1 4.4 -0.9 4.1 13 13 A A T 3 S+ 0 0 90 1,-0.2 -1,-0.1 2,-0.1 8,-0.0 0.878 119.3 51.7 -67.1 -39.6 3.9 -4.5 2.8 14 14 A D T 3 S- 0 0 114 1,-0.1 -1,-0.2 2,-0.0 -3,-0.0 0.271 126.2 -96.6 -85.7 10.6 0.1 -4.2 2.5 15 15 A G S < S+ 0 0 34 -3,-0.9 2,-0.2 1,-0.3 -2,-0.1 0.448 71.7 150.9 94.1 2.4 0.5 -1.0 0.3 16 16 A R - 0 0 70 1,-0.1 -4,-2.4 4,-0.0 2,-0.5 -0.454 39.5-140.2 -69.5 136.9 0.0 1.7 3.1 17 17 A V E S+B 11 0A 81 1,-0.3 -6,-0.2 -6,-0.2 -7,-0.1 -0.899 85.0 8.2-100.6 123.8 1.8 5.0 2.5 18 18 A M E S+ 0 0 26 -8,-2.8 2,-0.3 -2,-0.5 -1,-0.3 0.958 97.6 160.0 63.6 89.0 3.2 6.4 5.8 19 19 A A E -B 9 0A 1 -10,-2.5 -10,-2.5 -3,-0.2 2,-0.5 -0.992 47.2-130.8-146.7 143.7 2.6 3.3 8.0 20 20 A F E -B 8 0A 0 69,-0.4 -12,-0.2 -2,-0.3 69,-0.1 -0.835 39.9-123.9 -87.6 132.0 3.7 1.6 11.2 21 21 A E E S+B 7 0A 63 -14,-2.6 -14,-3.0 -2,-0.5 2,-0.1 -0.973 98.7 26.9-126.5 116.7 4.4 -2.1 10.6 22 22 A P S S- 0 0 54 0, 0.0 -1,-0.2 0, 0.0 3,-0.2 0.551 79.7-161.8 -74.4 153.2 2.8 -4.0 12.3 23 23 A A S S+ 0 0 12 1,-0.2 68,-3.2 -2,-0.1 2,-0.5 0.789 81.4 39.2 -70.6 -29.6 -0.2 -1.6 12.8 24 24 A V E -d 91 0B 15 66,-0.2 2,-0.4 68,-0.1 -1,-0.2 -0.936 69.8-166.7-130.7 107.2 -1.4 -3.7 15.8 25 25 A I E -d 92 0B 13 66,-2.2 68,-3.1 -2,-0.5 2,-0.7 -0.788 9.8-152.7 -88.5 132.4 1.0 -5.2 18.4 26 26 A R E +d 93 0B 128 -2,-0.4 2,-0.2 66,-0.2 68,-0.2 -0.898 32.0 158.8-108.0 102.5 -0.5 -7.7 20.7 27 27 A A E -d 94 0B 1 66,-3.0 68,-2.5 -2,-0.7 -24,-0.0 -0.623 35.1-123.3-117.3 172.7 1.5 -7.7 24.0 28 28 A Q > - 0 0 118 66,-0.3 3,-2.1 -2,-0.2 -26,-0.2 -0.810 49.2 -73.8-112.1 158.3 1.1 -8.7 27.6 29 29 A P T 3 S+ 0 0 65 0, 0.0 42,-0.3 0, 0.0 43,-0.1 -0.284 120.7 25.2 -51.5 126.2 1.5 -6.4 30.7 30 30 A G T 3 S+ 0 0 37 40,-2.7 41,-0.2 1,-0.4 42,-0.1 0.233 92.5 124.1 101.3 -11.8 5.2 -5.6 31.3 31 31 A D < - 0 0 9 -3,-2.1 39,-1.4 39,-0.5 -1,-0.4 -0.284 51.6-134.2 -73.7 164.6 6.3 -6.1 27.7 32 32 A T E -aC 3 69A 15 -30,-2.0 -28,-2.9 37,-0.2 2,-0.4 -0.908 8.2-155.6-121.1 151.3 8.2 -3.5 25.7 33 33 A V E -aC 4 68A 0 35,-1.7 35,-2.6 -2,-0.3 2,-0.5 -0.995 9.1-160.7-125.9 124.6 7.8 -2.1 22.2 34 34 A T E -aC 5 67A 27 -30,-2.9 -28,-2.3 -2,-0.4 2,-0.4 -0.902 12.3-139.4-106.7 129.9 10.7 -0.5 20.3 35 35 A F E -a 6 0A 0 31,-2.5 2,-0.5 -2,-0.5 -28,-0.2 -0.741 15.6-151.1 -91.1 134.0 10.1 1.8 17.3 36 36 A V E -a 7 0A 20 -30,-2.4 -28,-3.1 -2,-0.4 2,-1.5 -0.909 11.0-145.5-112.7 128.0 12.5 1.4 14.4 37 37 A A + 0 0 8 -2,-0.5 -28,-0.1 26,-0.2 -30,-0.1 -0.515 40.0 151.1 -88.9 67.4 13.4 4.2 12.1 38 38 A K S S+ 0 0 129 -2,-1.5 2,-0.4 -30,-0.3 -1,-0.2 0.907 76.8 29.7 -65.7 -43.0 13.8 2.0 8.9 39 39 A D S S- 0 0 53 -31,-1.9 3,-0.4 -3,-0.3 -1,-0.1 -0.919 96.6-120.2-110.4 146.9 12.7 5.1 6.9 40 40 A K S S+ 0 0 143 -2,-0.4 3,-0.1 1,-0.2 -2,-0.0 -0.385 82.5 52.8 -86.1 161.6 13.5 8.6 8.1 41 41 A G S S+ 0 0 30 1,-0.3 2,-0.3 -2,-0.1 -1,-0.2 0.472 83.4 108.2 96.4 5.8 11.1 11.4 8.9 42 42 A H - 0 0 0 -3,-0.4 21,-3.4 -34,-0.1 -1,-0.3 -0.740 39.6-178.6-111.9 160.0 8.8 9.6 11.4 43 43 A N - 0 0 10 -2,-0.3 2,-0.4 19,-0.2 19,-0.1 -0.897 21.1-129.9-140.7 174.4 8.2 9.6 15.1 44 44 A S + 0 0 2 17,-0.3 16,-2.8 -2,-0.3 2,-0.3 -0.987 31.4 160.5-131.4 123.6 6.1 7.8 17.6 45 45 A A E -EF 59 79B 10 34,-2.0 34,-3.0 -2,-0.4 14,-0.2 -0.998 41.6-109.2-142.0 139.8 3.9 9.6 20.2 46 46 A L E - F 0 78B 26 12,-2.6 32,-0.3 -2,-0.3 5,-0.1 -0.460 39.9-117.7 -67.1 134.1 0.9 8.5 22.3 47 47 A M > - 0 0 10 30,-2.7 3,-2.1 3,-0.2 2,-0.4 -0.395 37.3 -89.8 -72.7 151.8 -2.3 10.2 21.2 48 48 A K T 3 S+ 0 0 197 1,-0.3 59,-0.4 2,-0.1 -1,-0.1 -0.476 113.2 0.0 -67.4 119.4 -4.1 12.5 23.6 49 49 A G T 3 S+ 0 0 51 -2,-0.4 -1,-0.3 57,-0.1 57,-0.1 0.643 99.9 120.7 75.2 17.4 -6.6 10.3 25.6 50 50 A G < + 0 0 0 -3,-2.1 27,-3.6 27,-0.2 -3,-0.2 0.012 58.2 64.6-103.5 26.9 -5.4 7.2 23.7 51 51 A A S S- 0 0 24 25,-0.2 25,-0.2 -5,-0.1 3,-0.1 -0.961 90.3 -87.9-143.0 158.7 -4.2 5.2 26.6 52 52 A P > - 0 0 16 0, 0.0 3,-1.7 0, 0.0 20,-0.1 -0.322 61.9 -80.8 -66.4 153.2 -5.7 3.5 29.8 53 53 A E T 3 S+ 0 0 184 1,-0.3 46,-0.0 -4,-0.1 0, 0.0 -0.244 115.3 16.4 -58.3 135.5 -6.0 5.7 32.9 54 54 A G T 3 S+ 0 0 76 1,-0.3 -1,-0.3 -3,-0.1 2,-0.2 0.498 92.5 139.9 81.5 6.1 -2.8 5.9 34.9 55 55 A A < - 0 0 19 -3,-1.7 2,-0.3 1,-0.1 -1,-0.3 -0.512 58.7-107.6 -83.6 149.3 -0.6 4.7 32.0 56 56 A E - 0 0 136 -2,-0.2 2,-0.1 13,-0.1 -1,-0.1 -0.592 37.0-148.2 -74.6 133.6 2.8 6.2 31.2 57 57 A T - 0 0 112 -2,-0.3 2,-0.3 -6,-0.1 -1,-0.0 -0.446 8.7-155.7 -96.2 171.0 2.8 8.3 28.0 58 58 A W - 0 0 20 -2,-0.1 -12,-2.6 10,-0.1 2,-0.2 -0.995 16.1-172.5-148.4 153.0 5.5 8.9 25.5 59 59 A K B -E 45 0B 168 -2,-0.3 -14,-0.3 -14,-0.2 2,-0.1 -0.701 20.6-161.7-146.3 85.5 6.5 11.5 22.9 60 60 A G - 0 0 3 -16,-2.8 3,-0.1 -2,-0.2 2,-0.1 -0.357 16.4-121.8 -71.8 147.7 9.4 10.3 20.7 61 61 A K > - 0 0 145 1,-0.1 3,-1.9 -18,-0.1 -17,-0.3 -0.337 48.8 -70.1 -78.7 168.7 11.5 12.7 18.6 62 62 A I T 3 S+ 0 0 82 1,-0.3 -19,-0.2 -19,-0.1 -1,-0.1 -0.438 122.0 1.5 -64.7 129.0 11.8 12.4 14.8 63 63 A N T 3 S+ 0 0 63 -21,-3.4 2,-0.5 1,-0.2 -1,-0.3 0.495 95.0 143.2 67.4 7.2 13.9 9.3 13.9 64 64 A E < - 0 0 84 -3,-1.9 2,-1.7 -22,-0.3 -1,-0.2 -0.678 48.4-144.9 -79.7 122.5 14.2 8.5 17.7 65 65 A E - 0 0 105 -2,-0.5 2,-0.2 -3,-0.1 -29,-0.1 -0.558 32.0-174.9 -86.8 73.6 14.1 4.7 18.1 66 66 A I - 0 0 35 -2,-1.7 -31,-2.5 -5,-0.2 2,-0.5 -0.447 20.3-147.3 -79.6 140.2 12.2 4.9 21.4 67 67 A T E -C 34 0A 73 -33,-0.2 2,-0.3 -2,-0.2 -33,-0.2 -0.942 18.0-158.7-105.0 124.1 11.4 1.9 23.6 68 68 A V E -C 33 0A 7 -35,-2.6 -35,-1.7 -2,-0.5 2,-0.3 -0.795 10.2-133.4-105.9 145.3 8.1 2.2 25.5 69 69 A T E -C 32 0A 64 -2,-0.3 2,-0.3 -37,-0.2 -37,-0.2 -0.741 10.7-161.7 -94.4 145.4 7.0 0.3 28.6 70 70 A L + 0 0 0 -39,-1.4 -40,-2.7 -2,-0.3 -39,-0.5 -0.600 31.8 144.8-130.4 69.7 3.5 -1.2 28.8 71 71 A S + 0 0 85 -2,-0.3 -1,-0.1 -42,-0.3 -40,-0.1 0.939 58.2 61.8 -74.8 -50.4 2.7 -1.9 32.5 72 72 A K S S- 0 0 98 -43,-0.1 2,-0.1 -20,-0.1 22,-0.1 -0.602 86.9-118.6 -84.1 138.1 -1.0 -1.2 32.5 73 73 A P + 0 0 68 0, 0.0 2,-0.3 0, 0.0 22,-0.2 -0.409 64.6 72.9 -74.9 152.0 -3.4 -3.3 30.4 74 74 A G E S- G 0 94B 0 20,-2.6 20,-3.2 -2,-0.1 2,-0.5 -0.858 83.0 -46.9 140.3-174.2 -5.5 -1.8 27.6 75 75 A V E - G 0 93B 0 -2,-0.3 2,-0.6 18,-0.2 18,-0.2 -0.829 42.1-159.3 -97.1 129.9 -5.3 -0.3 24.1 76 76 A Y E - G 0 92B 3 16,-2.7 16,-2.0 -2,-0.5 2,-0.6 -0.948 4.6-162.1-109.9 113.8 -2.6 2.3 23.4 77 77 A M E + G 0 91B 0 -27,-3.6 -30,-2.7 -2,-0.6 2,-0.3 -0.876 18.6 171.3 -98.7 120.4 -3.3 4.6 20.4 78 78 A Y E -FG 46 90B 0 12,-2.2 12,-2.1 -2,-0.6 2,-0.3 -0.810 10.5-162.5-127.6 166.2 -0.2 6.3 19.1 79 79 A Q E -FG 45 89B 44 -34,-3.0 -34,-2.0 -2,-0.3 2,-0.6 -0.903 27.2-117.3-143.2 164.6 0.6 8.5 16.0 80 80 A C > - 0 0 0 8,-2.0 4,-1.3 -2,-0.3 3,-0.3 -0.970 27.8-150.0-102.7 117.6 3.3 9.9 13.8 81 81 A A T 4 S+ 0 0 55 -2,-0.6 3,-0.5 1,-0.2 4,-0.4 0.905 92.9 48.1 -58.3 -48.7 3.0 13.7 14.1 82 82 A P T 4 S+ 0 0 71 0, 0.0 -1,-0.2 0, 0.0 3,-0.1 0.855 127.1 25.7 -57.0 -36.7 4.2 14.5 10.5 83 83 A H T >4>S+ 0 0 37 -3,-0.3 5,-2.2 5,-0.2 3,-0.7 0.224 84.2 107.3-119.2 13.2 2.0 11.9 8.9 84 84 A V G ><5S+ 0 0 18 -4,-1.3 3,-1.7 -3,-0.5 28,-0.4 0.910 82.8 53.9 -59.7 -41.6 -1.0 11.5 11.2 85 85 A G G 3 5S+ 0 0 37 -4,-0.4 26,-2.7 1,-0.3 -1,-0.3 0.750 105.2 54.5 -63.2 -25.8 -3.3 13.4 8.8 86 86 A M G < 5S- 0 0 98 -3,-0.7 -1,-0.3 24,-0.2 -2,-0.2 0.440 131.4 -96.0 -84.9 -3.9 -2.2 10.9 6.1 87 87 A G T < 5S+ 0 0 16 -3,-1.7 2,-1.9 -4,-0.3 -3,-0.2 0.540 71.1 150.9 104.7 11.8 -3.3 8.0 8.3 88 88 A M < + 0 0 1 -5,-2.2 -8,-2.0 -8,-0.2 2,-0.3 -0.521 27.5 126.3 -81.7 79.3 -0.0 7.1 10.1 89 89 A I E - G 0 79B 3 -2,-1.9 -69,-0.4 -10,-0.2 2,-0.3 -0.900 33.6-171.9-125.4 161.4 -1.3 5.7 13.4 90 90 A G E - G 0 78B 0 -12,-2.1 -12,-2.2 -2,-0.3 2,-0.3 -0.916 11.9-134.7-144.1 171.7 -0.8 2.4 15.2 91 91 A A E -dG 24 77B 0 -68,-3.2 -66,-2.2 -2,-0.3 2,-0.4 -0.967 4.7-162.1-132.4 145.9 -2.1 0.5 18.2 92 92 A I E -dG 25 76B 0 -16,-2.0 -16,-2.7 -2,-0.3 2,-0.6 -0.977 13.0-160.9-123.9 115.7 -0.5 -1.5 21.0 93 93 A V E -dG 26 75B 0 -68,-3.1 -66,-3.0 -2,-0.4 2,-0.6 -0.879 5.3-165.4 -98.3 119.6 -3.0 -3.9 22.8 94 94 A V E -dG 27 74B 0 -20,-3.2 -20,-2.6 -2,-0.6 -66,-0.3 -0.927 58.5 -45.1-110.5 114.7 -1.7 -4.9 26.2 95 95 A G S S- 0 0 17 -68,-2.5 -68,-0.1 -2,-0.6 -23,-0.0 -0.482 122.3 -0.9 64.4-129.9 -3.5 -7.9 27.8 96 96 A E S S- 0 0 161 -2,-0.2 2,-1.9 1,-0.0 3,-0.2 -0.744 76.3-118.2 -92.0 138.8 -7.3 -7.4 27.3 97 97 A P > + 0 0 48 0, 0.0 3,-0.7 0, 0.0 4,-0.2 -0.524 49.7 156.6 -76.8 81.4 -8.6 -4.2 25.6 98 98 A A T 3 S+ 0 0 94 -2,-1.9 3,-0.4 1,-0.2 4,-0.1 0.842 71.7 47.0 -74.8 -35.9 -10.6 -2.9 28.5 99 99 A N T 3> S+ 0 0 23 -3,-0.2 4,-2.1 1,-0.2 -1,-0.2 -0.024 74.3 118.3 -97.3 30.0 -10.5 0.8 27.3 100 100 A L H <> S+ 0 0 24 -3,-0.7 4,-1.1 1,-0.2 -1,-0.2 0.867 74.9 51.0 -65.6 -38.5 -11.5 -0.0 23.7 101 101 A E H > S+ 0 0 173 -3,-0.4 4,-0.6 1,-0.2 -1,-0.2 0.884 110.8 49.4 -64.8 -40.3 -14.7 2.0 23.9 102 102 A A H >4 S+ 0 0 67 1,-0.2 3,-0.9 2,-0.2 -2,-0.2 0.903 108.7 50.9 -67.2 -43.7 -12.9 5.1 25.3 103 103 A V H >< S+ 0 0 0 -4,-2.1 3,-0.8 1,-0.2 -1,-0.2 0.723 101.1 64.0 -70.0 -22.3 -10.1 5.0 22.6 104 104 A K H 3< S+ 0 0 80 -4,-1.1 -1,-0.2 1,-0.2 -2,-0.2 0.793 100.3 54.0 -65.9 -28.6 -12.8 4.9 19.8 105 105 A G T << S+ 0 0 68 -3,-0.9 -1,-0.2 -4,-0.6 -2,-0.2 0.384 85.2 103.9 -92.6 2.4 -14.1 8.3 20.9 106 106 A I S < S- 0 0 30 -3,-0.8 2,-0.5 -4,-0.2 -57,-0.1 -0.195 85.0 -75.6 -79.9 175.4 -10.8 10.3 20.7 107 107 A K + 0 0 81 -59,-0.4 -1,-0.1 1,-0.0 -59,-0.1 -0.614 44.0 179.9 -79.5 118.4 -9.8 12.8 18.0 108 108 A Y - 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