==== 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 PROTEIN BINDING 23-JAN-01 1HZ6 . COMPND 2 MOLECULE: PROTEIN L; . SOURCE 2 ORGANISM_SCIENTIFIC: FINEGOLDIA MAGNA; . AUTHOR J.W.O'NEILL,D.E.KIM,D.BAKER,K.Y.J.ZHANG . 193 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10629.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 161 83.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 18 9.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 50 25.9 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 3 1.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 3 1.6 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 . 30 15.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 18 9.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 42 21.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 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 3 0 0 0 0 0 0 0 0 0 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 0 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 PARALLEL BRIDGES PER LADDER . 1 0 0 0 0 3 0 3 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 0 0 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 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 H 0 0 100 0, 0.0 88,-0.2 0, 0.0 2,-0.2 0.000 360.0 360.0 360.0 105.6 5.7 1.9 -1.4 2 -1 A H - 0 0 63 86,-2.7 88,-0.5 1,-0.1 2,-0.2 -0.477 360.0 -91.7 -81.2 149.9 7.1 1.0 2.0 3 0 A A + 0 0 53 -2,-0.2 26,-0.3 1,-0.1 -1,-0.1 -0.402 42.8 173.3 -62.2 125.6 6.5 -2.4 3.6 4 1 A M + 0 0 26 -2,-0.2 -1,-0.1 24,-0.1 24,-0.1 0.232 33.5 124.1-118.4 11.2 3.4 -2.4 5.8 5 2 A E S S- 0 0 126 1,-0.1 2,-0.5 86,-0.0 24,-0.5 -0.346 72.5-105.7 -68.6 154.2 3.1 -6.1 6.6 6 3 A E + 0 0 116 22,-0.1 2,-0.2 20,-0.1 22,-0.2 -0.732 53.7 175.6 -80.7 125.0 3.1 -7.0 10.3 7 4 A V E -A 27 0A 23 20,-2.7 20,-2.1 -2,-0.5 2,-0.5 -0.715 29.4-120.9-125.2 177.3 6.5 -8.4 11.0 8 5 A T E -A 26 0A 40 -2,-0.2 2,-0.6 18,-0.2 18,-0.2 -0.988 14.8-158.3-125.6 125.6 8.6 -9.7 14.0 9 6 A I E -A 25 0A 0 16,-2.7 16,-2.4 -2,-0.5 2,-0.5 -0.914 14.7-148.2-102.6 121.2 11.9 -8.1 15.0 10 7 A K E -Ab 24 60A 79 49,-3.0 51,-3.3 -2,-0.6 2,-0.6 -0.802 6.4-159.6 -95.1 124.9 14.0 -10.5 17.0 11 8 A A E -Ab 23 61A 0 12,-3.2 12,-1.9 -2,-0.5 2,-0.9 -0.910 1.6-164.2-105.2 113.6 16.3 -9.0 19.7 12 9 A N E -Ab 22 62A 36 49,-2.8 51,-1.9 -2,-0.6 2,-0.5 -0.864 14.9-158.1 -96.9 103.4 19.1 -11.3 20.8 13 10 A L E -Ab 21 63A 1 8,-3.1 8,-2.0 -2,-0.9 2,-0.5 -0.725 9.0-170.8 -86.9 126.7 20.3 -9.7 24.0 14 11 A I E -Ab 20 64A 53 49,-3.1 51,-3.0 -2,-0.5 6,-0.2 -0.978 9.3-152.3-121.1 120.4 23.9 -10.5 25.0 15 12 A F > - 0 0 20 4,-2.9 3,-2.6 -2,-0.5 52,-0.1 -0.483 30.8 -98.4 -92.9 163.7 25.1 -9.5 28.4 16 13 A A T 3 S+ 0 0 47 50,-0.3 51,-0.1 1,-0.3 -1,-0.1 0.796 121.6 49.0 -45.6 -42.6 28.6 -8.7 29.6 17 14 A N T 3 S- 0 0 133 50,-0.0 -1,-0.3 1,-0.0 3,-0.1 0.383 123.1-101.0 -84.7 5.3 29.2 -12.1 31.1 18 15 A G S < S+ 0 0 47 -3,-2.6 -2,-0.1 1,-0.3 -1,-0.0 0.297 78.3 135.2 96.8 -12.0 28.0 -13.9 28.0 19 16 A S - 0 0 55 -5,-0.1 -4,-2.9 1,-0.1 -1,-0.3 -0.280 39.3-151.2 -66.8 159.5 24.5 -14.8 29.2 20 17 A T E -A 14 0A 101 -6,-0.2 2,-0.3 -3,-0.1 -6,-0.2 -0.897 20.6-173.4-136.1 164.1 21.7 -14.2 26.8 21 18 A Q E -A 13 0A 71 -8,-2.0 -8,-3.1 -2,-0.3 2,-0.4 -0.973 13.5-150.0-152.8 140.7 18.0 -13.3 26.5 22 19 A T E +A 12 0A 78 -2,-0.3 2,-0.3 -10,-0.2 -10,-0.2 -0.967 18.5 168.8-121.2 133.2 15.7 -13.2 23.5 23 20 A A E -A 11 0A 22 -12,-1.9 -12,-3.2 -2,-0.4 2,-0.3 -0.958 16.7-150.6-135.4 152.2 12.7 -10.9 23.1 24 21 A E E -A 10 0A 107 -2,-0.3 2,-0.5 -14,-0.2 -14,-0.2 -0.957 0.5-152.7-129.6 149.2 10.6 -10.2 20.0 25 22 A F E -A 9 0A 33 -16,-2.4 -16,-2.7 -2,-0.3 2,-0.5 -0.979 10.2-156.2-127.2 124.7 8.6 -7.2 18.8 26 23 A K E +A 8 0A 137 -2,-0.5 2,-0.3 -18,-0.2 -18,-0.2 -0.869 44.0 70.5-109.0 129.7 5.6 -7.4 16.5 27 24 A G E S-A 7 0A 3 -20,-2.1 -20,-2.7 -2,-0.5 -2,-0.1 -0.966 87.7 -24.0 162.0-169.4 4.3 -4.6 14.3 28 25 A T S > S- 0 0 4 -2,-0.3 4,-2.8 -22,-0.2 5,-0.3 -0.375 77.4 -99.9 -63.7 152.5 5.1 -2.7 11.1 29 26 A F H > S+ 0 0 45 -24,-0.5 4,-2.1 -26,-0.3 5,-0.2 0.836 115.1 34.8 -42.9 -61.1 8.9 -2.7 10.5 30 27 A E H > S+ 0 0 40 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.874 118.4 52.2 -70.1 -34.6 10.1 0.6 11.8 31 28 A K H > S+ 0 0 61 1,-0.2 4,-1.8 2,-0.2 -2,-0.2 0.949 114.2 42.9 -63.9 -48.0 7.6 0.8 14.7 32 29 A A H X S+ 0 0 0 -4,-2.8 4,-2.0 2,-0.2 -2,-0.2 0.858 112.3 53.8 -66.1 -36.6 8.6 -2.7 15.9 33 30 A T H X S+ 0 0 16 -4,-2.1 4,-2.0 -5,-0.3 -1,-0.2 0.936 108.8 48.7 -65.1 -43.8 12.3 -1.9 15.4 34 31 A S H X S+ 0 0 72 -4,-2.3 4,-2.3 1,-0.2 -1,-0.2 0.888 110.1 52.7 -62.3 -38.3 12.0 1.2 17.5 35 32 A E H X S+ 0 0 38 -4,-1.8 4,-2.0 2,-0.2 -1,-0.2 0.873 105.2 55.0 -66.1 -35.5 10.2 -0.8 20.2 36 33 A A H X S+ 0 0 0 -4,-2.0 4,-2.3 2,-0.2 -2,-0.2 0.943 111.0 43.8 -63.0 -46.8 13.0 -3.3 20.3 37 34 A Y H X S+ 0 0 56 -4,-2.0 4,-2.3 1,-0.2 -2,-0.2 0.885 109.7 56.8 -66.1 -36.8 15.6 -0.7 21.0 38 35 A A H X S+ 0 0 50 -4,-2.3 4,-0.9 1,-0.2 -1,-0.2 0.881 108.3 48.1 -60.5 -38.3 13.3 1.0 23.5 39 36 A Y H >X S+ 0 0 76 -4,-2.0 3,-1.0 1,-0.2 4,-0.5 0.938 108.3 53.0 -68.0 -45.7 13.2 -2.4 25.4 40 37 A A H >< S+ 0 0 0 -4,-2.3 3,-1.6 1,-0.3 4,-0.3 0.891 103.3 60.1 -54.8 -39.9 17.0 -2.7 25.2 41 38 A D H >< S+ 0 0 70 -4,-2.3 3,-1.3 1,-0.3 4,-0.4 0.819 95.0 60.9 -59.4 -33.1 17.2 0.7 26.8 42 39 A T H << S+ 0 0 89 -3,-1.0 -1,-0.3 -4,-0.9 3,-0.2 0.672 101.6 55.6 -69.8 -13.2 15.3 -0.4 29.9 43 40 A L T S+ 0 0 67 -3,-1.3 4,-2.6 -4,-0.3 -1,-0.2 0.836 78.1 66.5 -66.9 -33.9 20.9 -0.3 30.6 45 42 A K H 4 S+ 0 0 189 -4,-0.4 -1,-0.2 -3,-0.2 -2,-0.1 0.891 118.4 22.3 -55.2 -42.6 20.4 0.5 34.2 46 43 A D H 4 S+ 0 0 140 -3,-0.4 -1,-0.2 -4,-0.2 -2,-0.2 0.613 135.8 34.6-101.6 -14.3 21.5 -3.0 35.3 47 44 A N H < S- 0 0 52 -4,-1.7 -31,-0.3 1,-0.3 -3,-0.2 0.430 99.7-126.5-121.6 -1.1 23.5 -4.0 32.3 48 45 A G < - 0 0 27 -4,-2.6 -1,-0.3 -5,-0.2 -2,-0.1 -0.240 51.1 -24.8 85.1-176.2 25.2 -0.9 31.0 49 46 A E - 0 0 128 16,-0.1 17,-2.8 -4,-0.1 2,-0.3 -0.274 63.7-143.8 -69.6 157.1 25.2 0.7 27.5 50 47 A W E -C 65 0A 56 15,-0.2 2,-0.3 -35,-0.0 15,-0.2 -0.854 12.8-161.5-126.1 160.5 24.6 -1.4 24.4 51 48 A T E -C 64 0A 93 13,-1.9 13,-2.2 -2,-0.3 2,-0.4 -0.890 19.1-141.2-129.7 160.0 25.8 -1.6 20.8 52 49 A V E -C 63 0A 45 -2,-0.3 2,-0.5 11,-0.2 11,-0.2 -0.965 17.1-164.3-135.8 149.3 24.1 -3.4 18.0 53 50 A D E -C 62 0A 113 9,-1.8 9,-2.4 -2,-0.4 2,-0.4 -0.988 25.7-142.9-125.6 113.1 24.8 -5.5 14.9 54 51 A V E +C 61 0A 86 -2,-0.5 2,-0.2 7,-0.2 7,-0.2 -0.681 29.3 169.9 -82.7 127.4 21.8 -5.7 12.6 55 52 A A E > > +C 60 0A 31 5,-3.2 5,-2.1 -2,-0.4 3,-1.4 -0.732 44.7 41.5-129.7 178.0 21.4 -9.1 10.9 56 53 A D G > 5S- 0 0 89 1,-0.3 3,-1.6 -2,-0.2 -1,-0.2 0.878 130.2 -55.3 48.3 48.9 18.9 -11.1 8.8 57 54 A K G 3 5S- 0 0 179 1,-0.3 -1,-0.3 -3,-0.2 -2,-0.1 0.740 109.2 -48.8 59.6 26.2 18.0 -8.1 6.6 58 55 A G G < 5S+ 0 0 10 -3,-1.4 -1,-0.3 2,-0.2 -2,-0.2 0.365 120.0 103.7 98.0 -4.3 17.1 -6.1 9.7 59 56 A Y T < 5S+ 0 0 85 -3,-1.6 -49,-3.0 -4,-0.4 2,-0.4 0.555 75.9 56.1 -88.1 -7.3 14.9 -8.7 11.3 60 57 A T E < -bC 10 55A 12 -5,-2.1 -5,-3.2 -51,-0.2 2,-0.6 -0.991 64.3-166.6-127.4 127.0 17.4 -9.7 13.9 61 58 A L E -bC 11 54A 2 -51,-3.3 -49,-2.8 -2,-0.4 2,-1.1 -0.945 6.0-160.4-114.3 111.6 19.1 -7.3 16.3 62 59 A N E -bC 12 53A 47 -9,-2.4 -9,-1.8 -2,-0.6 2,-0.6 -0.809 17.5-172.1 -93.1 100.5 22.1 -8.6 18.1 63 60 A I E -bC 13 52A 0 -51,-1.9 -49,-3.1 -2,-1.1 2,-0.5 -0.861 4.3-167.3-101.7 115.1 22.3 -6.2 21.0 64 61 A K E -bC 14 51A 70 -13,-2.2 -13,-1.9 -2,-0.6 2,-0.3 -0.885 8.3-149.0-107.2 127.1 25.4 -6.5 23.3 65 62 A F E - C 0 50A 0 -51,-3.0 -15,-0.2 -2,-0.5 -17,-0.1 -0.736 15.8-139.4 -94.6 140.9 25.7 -4.8 26.6 66 63 A A 0 0 60 -17,-2.8 -50,-0.3 -2,-0.3 -1,-0.1 -0.212 360.0 360.0 -89.9-179.3 29.0 -3.6 28.0 67 64 A G 0 0 131 -51,-0.1 -1,-0.1 -52,-0.1 -51,-0.1 0.822 360.0 360.0 110.7 360.0 30.6 -3.7 31.4 68 !* 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 69 2 B E 0 0 208 0, 0.0 24,-0.5 0, 0.0 2,-0.2 0.000 360.0 360.0 360.0 -89.7 -10.4 0.0 6.3 70 3 B E + 0 0 111 22,-0.2 2,-0.3 20,-0.1 22,-0.2 -0.530 360.0 176.4 -84.4 147.8 -7.1 0.5 4.5 71 4 B V E -D 91 0B 26 20,-3.3 20,-2.1 -2,-0.2 2,-0.5 -0.843 27.7-122.9-137.0 170.4 -5.9 3.9 3.3 72 5 B T E -D 90 0B 60 -2,-0.3 2,-0.5 18,-0.2 18,-0.2 -0.982 21.3-162.7-123.7 118.9 -2.7 5.1 1.6 73 6 B I E -D 89 0B 0 16,-2.9 16,-2.5 -2,-0.5 2,-0.5 -0.884 7.8-151.0-101.7 127.3 -0.8 7.9 3.4 74 7 B K E -De 88 124B 83 49,-2.8 51,-3.1 -2,-0.5 2,-0.5 -0.856 7.4-163.0-100.9 128.4 1.8 9.8 1.3 75 8 B A E -De 87 125B 1 12,-3.5 12,-2.2 -2,-0.5 2,-0.7 -0.940 5.5-158.3-111.4 128.5 4.8 11.2 3.0 76 9 B N E -De 86 126B 31 49,-2.9 51,-2.0 -2,-0.5 2,-0.8 -0.941 11.9-151.1-103.6 113.4 6.9 13.9 1.2 77 10 B L E -De 85 127B 2 8,-3.0 8,-2.5 -2,-0.7 2,-0.7 -0.792 13.8-168.7 -88.7 110.4 10.3 13.9 2.8 78 11 B I E -De 84 128B 51 49,-3.2 51,-2.7 -2,-0.8 6,-0.2 -0.871 6.3-160.8-106.6 104.9 11.6 17.5 2.4 79 12 B F > - 0 0 16 4,-2.8 3,-2.0 -2,-0.7 51,-0.1 -0.508 27.9-120.6 -90.1 153.9 15.3 17.8 3.2 80 13 B A T 3 S+ 0 0 67 31,-0.3 -1,-0.1 1,-0.3 50,-0.1 0.729 110.5 64.6 -59.9 -24.4 17.2 20.9 4.1 81 14 B N T 3 S- 0 0 124 2,-0.1 -1,-0.3 1,-0.1 3,-0.1 0.461 122.4-101.5 -81.0 0.2 19.5 20.4 1.1 82 15 B G S < S+ 0 0 63 -3,-2.0 2,-0.2 1,-0.4 -2,-0.1 0.347 79.8 133.5 98.8 -6.8 16.5 20.9 -1.3 83 16 B S - 0 0 43 -5,-0.0 -4,-2.8 1,-0.0 2,-0.5 -0.566 37.3-163.7 -79.5 139.6 15.9 17.3 -2.1 84 17 B T E +D 78 0B 99 -2,-0.2 2,-0.3 -6,-0.2 -6,-0.2 -0.968 10.7 178.2-128.9 114.1 12.3 16.0 -1.9 85 18 B Q E -D 77 0B 94 -8,-2.5 -8,-3.0 -2,-0.5 2,-0.3 -0.724 15.6-140.0-110.3 162.4 11.7 12.3 -1.7 86 19 B T E +D 76 0B 95 -2,-0.3 2,-0.3 -10,-0.2 -10,-0.2 -0.935 16.8 178.2-127.1 150.0 8.4 10.4 -1.5 87 20 B A E -D 75 0B 3 -12,-2.2 -12,-3.5 -2,-0.3 2,-0.4 -0.991 12.3-153.1-147.6 139.8 7.2 7.4 0.4 88 21 B E E -D 74 0B 97 -2,-0.3 -86,-2.7 -14,-0.2 2,-0.5 -0.933 3.8-165.8-119.8 142.2 3.8 5.7 0.6 89 22 B F E -D 73 0B 1 -16,-2.5 -16,-2.9 -2,-0.4 2,-0.5 -0.972 5.4-166.2-129.0 115.9 2.3 3.7 3.4 90 23 B K E +D 72 0B 113 -88,-0.5 2,-0.3 -2,-0.5 -18,-0.2 -0.899 44.4 74.3-108.0 124.5 -0.8 1.6 2.9 91 24 B G E S-D 71 0B 15 -20,-2.1 -20,-3.3 -2,-0.5 -2,-0.1 -0.948 88.5 -20.2 170.3-158.9 -2.7 0.1 5.8 92 25 B T > - 0 0 49 -2,-0.3 4,-3.1 -22,-0.2 5,-0.3 -0.362 70.0-108.5 -67.8 157.7 -5.1 1.4 8.5 93 26 B F H > S+ 0 0 18 -24,-0.5 4,-2.3 1,-0.2 5,-0.2 0.916 119.8 45.0 -54.9 -44.6 -4.9 5.1 9.1 94 27 B E H > S+ 0 0 33 2,-0.2 4,-2.9 1,-0.2 5,-0.3 0.957 114.5 46.3 -65.3 -51.1 -3.2 4.6 12.4 95 28 B K H > S+ 0 0 85 1,-0.2 4,-2.1 2,-0.2 -2,-0.2 0.919 115.8 45.6 -59.2 -43.6 -0.8 1.9 11.3 96 29 B A H X S+ 0 0 0 -4,-3.1 4,-2.2 2,-0.2 -1,-0.2 0.916 115.1 47.2 -66.2 -43.3 0.2 3.9 8.1 97 30 B T H X S+ 0 0 6 -4,-2.3 4,-2.2 -5,-0.3 -2,-0.2 0.941 113.6 46.4 -64.7 -48.3 0.6 7.2 10.0 98 31 B S H X S+ 0 0 4 -4,-2.9 4,-2.2 1,-0.2 -1,-0.2 0.873 113.3 49.7 -64.1 -36.7 2.6 5.7 12.9 99 32 B E H X S+ 0 0 6 -4,-2.1 4,-2.7 -5,-0.3 -1,-0.2 0.895 108.3 53.1 -70.5 -36.8 4.9 3.8 10.5 100 33 B A H X S+ 0 0 1 -4,-2.2 4,-2.5 1,-0.2 -2,-0.2 0.936 112.3 45.0 -61.7 -44.9 5.5 6.9 8.4 101 34 B Y H X S+ 0 0 8 -4,-2.2 4,-2.2 2,-0.2 -1,-0.2 0.898 111.6 52.2 -66.5 -38.3 6.5 8.8 11.5 102 35 B A H X S+ 0 0 16 -4,-2.2 4,-1.1 2,-0.2 -2,-0.2 0.914 110.4 49.1 -63.6 -41.1 8.7 5.9 12.7 103 36 B Y H >X S+ 0 0 42 -4,-2.7 3,-0.9 1,-0.2 4,-0.5 0.941 108.9 52.1 -62.9 -46.3 10.4 5.9 9.3 104 37 B A H >< S+ 0 0 0 -4,-2.5 3,-1.5 1,-0.3 4,-0.4 0.888 103.6 59.2 -57.8 -38.1 11.0 9.7 9.4 105 38 B D H >< S+ 0 0 62 -4,-2.2 3,-1.2 1,-0.3 4,-0.4 0.836 96.2 61.1 -61.3 -31.3 12.6 9.2 12.9 106 39 B T H << S+ 0 0 68 -4,-1.1 -1,-0.3 -3,-0.9 4,-0.3 0.676 101.0 56.3 -69.5 -14.1 15.2 6.9 11.3 107 40 B L T S+ 0 0 68 -3,-1.2 4,-2.5 -4,-0.4 -1,-0.2 0.880 78.2 60.9 -61.7 -43.8 17.1 12.2 12.0 109 42 B K H 4 S+ 0 0 189 -4,-0.4 -1,-0.2 1,-0.2 -2,-0.1 0.908 120.7 24.4 -52.6 -45.6 20.7 11.2 12.7 110 43 B D H 4 S+ 0 0 148 -4,-0.3 -1,-0.2 -3,-0.2 -2,-0.2 0.594 134.2 33.6 -97.9 -12.0 21.8 12.2 9.2 111 44 B N H < S- 0 0 49 -4,-1.8 20,-1.8 1,-0.2 -31,-0.3 0.469 104.0-116.5-123.1 -3.4 19.2 14.7 8.2 112 45 B G < - 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0 0 26 4,-2.8 3,-2.2 -2,-0.5 51,-0.1 -0.399 32.1-109.0 -80.6 160.7 2.3 29.5 20.4 144 13 C A T 3 S+ 0 0 70 31,-0.3 -1,-0.1 1,-0.3 50,-0.1 0.788 120.2 59.9 -59.9 -26.1 5.4 31.2 19.3 145 14 C N T 3 S- 0 0 123 2,-0.1 -1,-0.3 1,-0.0 3,-0.1 0.476 122.1-105.9 -82.5 -0.0 5.2 33.3 22.4 146 15 C G S < S+ 0 0 48 -3,-2.2 2,-0.3 1,-0.3 -2,-0.1 0.283 71.7 143.3 96.2 -12.0 5.4 30.2 24.6 147 16 C S - 0 0 64 -5,-0.1 -4,-2.8 1,-0.0 2,-0.3 -0.483 30.8-171.3 -65.9 127.3 1.7 30.1 25.6 148 17 C T E +H 142 0B 77 -2,-0.3 2,-0.3 -6,-0.2 -6,-0.2 -0.922 18.3 179.8-127.4 148.1 0.7 26.4 25.8 149 18 C Q E -H 141 0B 64 -8,-1.4 -8,-2.6 -2,-0.3 2,-0.5 -0.983 16.9-144.7-141.4 147.8 -2.5 24.5 26.2 150 19 C T E +H 140 0B 87 -2,-0.3 2,-0.4 -10,-0.2 -10,-0.2 -0.971 21.8 171.1-120.8 122.8 -3.1 20.7 26.3 151 20 C A E -H 139 0B 27 -12,-2.5 -12,-3.3 -2,-0.5 2,-0.4 -0.961 16.2-154.3-128.5 146.3 -6.3 19.2 24.8 152 21 C E E -H 138 0B 113 -2,-0.4 2,-0.5 -14,-0.2 -14,-0.2 -0.970 6.2-157.9-123.8 137.9 -7.1 15.6 24.3 153 22 C F E -H 137 0B 41 -16,-2.6 -16,-2.8 -2,-0.4 2,-0.4 -0.962 3.9-153.2-120.7 131.0 -9.5 14.3 21.7 154 23 C K E +H 136 0B 134 -2,-0.5 2,-0.3 -18,-0.2 -18,-0.2 -0.826 47.3 79.3-104.0 139.4 -11.3 10.9 21.8 155 24 C G E S-H 135 0B 15 -20,-2.0 -20,-3.2 -2,-0.4 -2,-0.0 -0.964 86.8 -26.9 159.9-165.2 -12.5 9.0 18.7 156 25 C T S > S- 0 0 75 -2,-0.3 4,-2.9 -22,-0.2 5,-0.4 -0.303 71.6-104.1 -65.7 164.3 -11.1 6.8 16.0 157 26 C F H > S+ 0 0 11 -24,-0.4 4,-2.0 1,-0.2 5,-0.2 0.941 122.9 44.9 -57.0 -45.0 -7.4 7.5 15.4 158 27 C E H > S+ 0 0 69 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.935 116.2 44.3 -65.1 -47.0 -8.2 9.4 12.2 159 28 C K H > S+ 0 0 107 2,-0.2 4,-2.0 1,-0.2 -2,-0.2 0.910 114.4 47.8 -66.2 -43.9 -11.2 11.3 13.6 160 29 C A H X S+ 0 0 0 -4,-2.9 4,-1.9 2,-0.2 -1,-0.2 0.905 113.1 49.5 -64.5 -41.0 -9.5 12.3 16.9 161 30 C T H X S+ 0 0 13 -4,-2.0 4,-2.2 -5,-0.4 -2,-0.2 0.939 110.4 50.1 -63.3 -45.0 -6.4 13.4 14.9 162 31 C S H X S+ 0 0 45 -4,-2.4 4,-2.5 1,-0.2 -1,-0.2 0.844 107.5 55.0 -62.9 -32.7 -8.5 15.5 12.5 163 32 C E H X S+ 0 0 54 -4,-2.0 4,-2.0 2,-0.2 -1,-0.2 0.897 107.3 50.0 -67.2 -39.2 -10.2 17.1 15.5 164 33 C A H X S+ 0 0 0 -4,-1.9 4,-2.1 1,-0.2 -2,-0.2 0.945 114.9 43.0 -64.4 -45.7 -6.9 18.2 16.9 165 34 C Y H X S+ 0 0 16 -4,-2.2 4,-2.1 2,-0.2 -2,-0.2 0.841 110.3 55.3 -71.4 -31.4 -5.8 19.7 13.5 166 35 C A H X S+ 0 0 56 -4,-2.5 4,-1.2 2,-0.2 -1,-0.2 0.909 109.6 48.5 -65.7 -39.0 -9.2 21.3 12.9 167 36 C Y H >X S+ 0 0 81 -4,-2.0 4,-0.7 1,-0.2 3,-0.6 0.927 108.8 52.7 -66.1 -42.9 -8.8 23.1 16.2 168 37 C A H >< S+ 0 0 0 -4,-2.1 3,-1.2 1,-0.2 4,-0.4 0.889 104.5 57.7 -59.5 -37.5 -5.3 24.2 15.4 169 38 C D H >< S+ 0 0 71 -4,-2.1 3,-1.1 1,-0.3 4,-0.5 0.846 98.4 58.6 -63.4 -32.5 -6.6 25.6 12.1 170 39 C T H << S+ 0 0 95 -4,-1.2 -1,-0.3 -3,-0.6 4,-0.2 0.702 105.7 52.4 -69.7 -16.1 -9.1 27.9 14.1 171 40 C L T S+ 0 0 63 -3,-1.1 4,-2.6 -4,-0.4 -1,-0.2 0.856 78.5 66.7 -66.7 -35.7 -4.0 30.2 12.7 173 42 C K H 4 S+ 0 0 191 -4,-0.5 -1,-0.2 1,-0.2 -2,-0.1 0.921 118.1 21.6 -51.2 -50.3 -5.8 33.6 12.2 174 43 C D H 4 S+ 0 0 138 -4,-0.2 -1,-0.2 -3,-0.2 -2,-0.2 0.592 135.5 34.8 -97.2 -10.9 -4.3 35.0 15.3 175 44 C N H < S- 0 0 32 -4,-1.5 20,-2.3 1,-0.2 -31,-0.3 0.451 100.8-120.2-124.8 -0.9 -1.3 32.8 15.9 176 45 C G < - 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