==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-JAN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 28-SEP-05 2B5G . COMPND 2 MOLECULE: DIAMINE ACETYLTRANSFERASE 1; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR M.C.BEWLEY,V.GRAZIANO,J.S.JIANG,E.MATZ,F.W.STUDIER,A.P.PEGG, . 324 5 2 2 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15997.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 239 73.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 7 2.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 72 22.2 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 . 4 1.2 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 . 19 5.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 29 9.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 94 29.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 2.2 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 1 1 0 0 5 1 0 0 1 0 1 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 PARALLEL BRIDGES PER LADDER . 0 2 0 2 0 2 2 0 0 2 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 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 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 A 0 0 46 0, 0.0 2,-0.2 0, 0.0 54,-0.0 0.000 360.0 360.0 360.0 27.3 4.3 -13.8 -6.3 2 3 A K + 0 0 136 54,-0.0 2,-0.3 2,-0.0 57,-0.1 -0.593 360.0 172.0 -72.1 142.6 4.1 -15.8 -9.5 3 4 A F - 0 0 34 -2,-0.2 2,-0.4 52,-0.2 52,-0.2 -0.981 24.4-150.4-149.6 161.5 7.3 -15.1 -11.4 4 5 A V E -A 54 0A 60 50,-1.9 50,-2.8 -2,-0.3 2,-0.5 -0.980 12.1-139.2-132.5 149.1 9.2 -16.3 -14.4 5 6 A I E +A 53 0A 24 -2,-0.4 48,-0.2 48,-0.2 65,-0.0 -0.923 37.2 150.4-105.6 131.3 12.9 -16.3 -15.1 6 7 A R E -A 52 0A 59 46,-2.2 46,-3.1 -2,-0.5 2,-0.1 -0.976 49.2 -83.4-153.4 164.5 13.9 -15.4 -18.6 7 8 A P E -A 51 0A 89 0, 0.0 44,-0.3 0, 0.0 2,-0.1 -0.435 50.0-111.9 -69.5 151.2 16.8 -13.8 -20.6 8 9 A A - 0 0 12 42,-2.6 2,-0.3 -2,-0.1 42,-0.2 -0.487 32.8-158.1 -76.2 149.4 16.8 -10.0 -20.6 9 10 A T > - 0 0 70 -2,-0.1 3,-2.2 1,-0.0 4,-0.2 -0.758 38.0 -91.6-119.7 175.8 16.1 -8.4 -24.0 10 11 A A G > S+ 0 0 45 1,-0.3 3,-1.5 -2,-0.3 32,-0.1 0.836 124.0 64.1 -56.0 -34.4 16.9 -4.9 -25.2 11 12 A A G 3 S+ 0 0 86 1,-0.3 3,-0.4 2,-0.1 -1,-0.3 0.691 94.4 62.0 -64.5 -16.5 13.6 -3.7 -24.0 12 13 A D G <> + 0 0 12 -3,-2.2 4,-2.2 1,-0.2 3,-0.3 0.396 69.7 103.7 -90.7 0.5 14.6 -4.5 -20.4 13 14 A C H <> S+ 0 0 2 -3,-1.5 4,-2.4 1,-0.2 5,-0.2 0.848 77.9 52.1 -54.9 -37.9 17.5 -2.1 -20.2 14 15 A S H > S+ 0 0 56 -3,-0.4 4,-2.2 1,-0.2 -1,-0.2 0.913 111.8 48.2 -67.7 -35.7 15.8 0.5 -18.1 15 16 A D H > S+ 0 0 22 -3,-0.3 4,-2.3 -4,-0.2 -2,-0.2 0.887 109.5 52.1 -68.7 -35.8 14.8 -2.2 -15.6 16 17 A I H X S+ 0 0 0 -4,-2.2 4,-2.5 2,-0.2 -2,-0.2 0.942 110.4 48.2 -65.0 -45.8 18.3 -3.6 -15.5 17 18 A L H X S+ 0 0 20 -4,-2.4 4,-2.2 1,-0.2 -1,-0.2 0.917 110.6 52.3 -60.0 -41.2 19.7 -0.1 -14.7 18 19 A R H X S+ 0 0 38 -4,-2.2 4,-1.9 1,-0.2 -1,-0.2 0.903 111.5 46.4 -60.1 -42.1 17.0 0.4 -12.0 19 20 A L H X S+ 0 0 0 -4,-2.3 4,-3.4 2,-0.2 -1,-0.2 0.855 107.6 55.8 -69.9 -35.8 18.0 -2.9 -10.4 20 21 A I H X S+ 0 0 0 -4,-2.5 4,-2.2 1,-0.2 -1,-0.2 0.933 110.5 46.5 -62.1 -41.9 21.7 -2.1 -10.6 21 22 A K H X S+ 0 0 120 -4,-2.2 4,-0.8 2,-0.2 -2,-0.2 0.878 112.1 49.9 -67.2 -36.1 20.9 1.1 -8.6 22 23 A E H >< S+ 0 0 50 -4,-1.9 3,-1.4 1,-0.2 4,-0.4 0.955 110.4 51.4 -64.0 -48.5 18.8 -0.9 -6.2 23 24 A L H >< S+ 0 0 24 -4,-3.4 3,-2.3 1,-0.3 -2,-0.2 0.875 99.5 64.2 -55.8 -39.2 21.7 -3.4 -5.8 24 25 A A H 3< S+ 0 0 14 -4,-2.2 -1,-0.3 1,-0.3 -2,-0.2 0.818 94.7 58.7 -58.5 -27.2 24.1 -0.5 -5.1 25 26 A K T << 0 0 152 -3,-1.4 -1,-0.3 -4,-0.8 -2,-0.2 0.665 360.0 360.0 -75.3 -10.1 22.1 0.3 -1.9 26 27 A Y < 0 0 162 -3,-2.3 -1,-0.3 -4,-0.4 -2,-0.0 -0.583 360.0 360.0 73.1 360.0 23.0 -3.3 -1.0 27 ! 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 28 32 A E 0 0 140 0, 0.0 2,-1.4 0, 0.0 -4,-0.1 0.000 360.0 360.0 360.0 -0.8 28.5 2.7 -5.3 29 33 A Q - 0 0 146 2,-0.0 2,-0.7 1,-0.0 3,-0.1 -0.616 360.0-161.4 -87.0 83.0 28.8 5.5 -7.9 30 34 A V + 0 0 32 -2,-1.4 213,-0.2 1,-0.2 212,-0.1 -0.501 25.5 159.1 -68.3 107.5 26.7 4.0 -10.8 31 35 A I + 0 0 114 211,-2.2 212,-0.2 -2,-0.7 -1,-0.2 0.560 37.0 111.9-105.0 -10.2 27.7 6.0 -13.9 32 36 A L - 0 0 9 210,-1.8 2,-0.3 209,-0.2 211,-0.1 -0.269 56.8-149.3 -60.2 146.7 26.6 3.4 -16.4 33 37 A T > - 0 0 63 1,-0.1 4,-2.1 210,-0.0 5,-0.2 -0.750 27.6-109.0-116.1 168.7 23.6 4.6 -18.4 34 38 A E H > S+ 0 0 99 -2,-0.3 4,-2.3 1,-0.2 5,-0.2 0.908 121.4 58.0 -59.7 -41.1 20.7 2.8 -20.0 35 39 A K H > S+ 0 0 129 1,-0.2 4,-2.4 2,-0.2 5,-0.3 0.883 104.4 51.0 -55.8 -44.6 22.4 3.6 -23.4 36 40 A D H > S+ 0 0 53 1,-0.2 4,-2.8 2,-0.2 5,-0.3 0.932 107.8 52.4 -58.7 -48.5 25.5 1.7 -22.2 37 41 A L H X S+ 0 0 0 -4,-2.1 4,-1.6 1,-0.2 -2,-0.2 0.892 111.9 47.1 -57.7 -39.4 23.4 -1.3 -21.2 38 42 A L H X S+ 0 0 74 -4,-2.3 4,-1.8 2,-0.2 -1,-0.2 0.949 116.6 39.4 -70.4 -47.6 21.8 -1.4 -24.6 39 43 A E H < S+ 0 0 113 -4,-2.4 4,-0.4 1,-0.2 -2,-0.2 0.875 121.2 44.1 -71.5 -32.0 24.9 -1.1 -26.8 40 44 A D H < S+ 0 0 6 -4,-2.8 7,-3.1 -5,-0.3 8,-0.5 0.758 121.7 38.3 -83.5 -24.8 27.0 -3.3 -24.6 41 45 A G H < S+ 0 0 7 -4,-1.6 -2,-0.2 -5,-0.3 -3,-0.2 0.660 120.9 35.6-101.3 -16.0 24.4 -6.0 -24.2 42 46 A F S < S+ 0 0 77 -4,-1.8 -2,-0.1 -5,-0.2 -3,-0.1 0.125 86.3 101.9-130.6 28.9 22.7 -6.3 -27.5 43 47 A G S S- 0 0 44 -4,-0.4 -3,-0.0 2,-0.1 -4,-0.0 -0.147 94.2 -80.8 -91.7-167.6 25.1 -5.7 -30.2 44 48 A E S S+ 0 0 175 1,-0.3 -1,-0.0 -2,-0.1 -3,-0.0 0.806 129.6 39.3 -67.7 -27.8 26.7 -8.5 -32.4 45 49 A H S S- 0 0 136 0, 0.0 -1,-0.3 0, 0.0 -3,-0.1 -0.725 84.6-157.6-126.4 83.0 29.2 -9.1 -29.5 46 50 A P - 0 0 52 0, 0.0 -5,-0.2 0, 0.0 -6,-0.1 -0.326 8.8-157.9 -60.6 133.1 27.4 -8.8 -26.1 47 51 A F S S+ 0 0 53 -7,-3.1 2,-0.3 1,-0.1 -6,-0.2 0.558 76.1 15.4 -90.0 -8.9 29.7 -8.1 -23.2 48 52 A Y - 0 0 3 -8,-0.5 2,-0.3 -11,-0.1 26,-0.2 -0.976 62.2-147.8-156.3 162.6 27.2 -9.5 -20.6 49 53 A H E - B 0 73A 72 24,-2.7 24,-2.5 -2,-0.3 2,-0.4 -0.934 16.1-162.4-129.8 150.3 24.2 -11.6 -20.4 50 54 A C E - B 0 72A 8 -2,-0.3 -42,-2.6 22,-0.2 2,-0.4 -1.000 13.5-156.9-139.5 142.2 21.4 -11.2 -17.8 51 55 A L E -AB 7 71A 11 20,-2.0 20,-2.0 -2,-0.4 2,-0.3 -0.919 24.7-163.4-107.1 136.2 18.6 -13.5 -16.6 52 56 A V E -AB 6 70A 0 -46,-3.1 -46,-2.2 -2,-0.4 2,-0.5 -0.886 17.1-133.2-121.4 158.1 15.7 -11.4 -15.1 53 57 A A E -AB 5 69A 0 16,-2.2 15,-2.2 -2,-0.3 16,-0.8 -0.960 24.9-166.5-111.4 123.2 12.8 -12.3 -12.8 54 58 A E E -AB 4 67A 67 -50,-2.8 -50,-1.9 -2,-0.5 13,-0.2 -0.935 3.3-164.7-114.6 135.5 9.4 -10.9 -14.0 55 59 A V - 0 0 3 11,-2.7 -52,-0.2 -2,-0.4 2,-0.0 -0.784 24.3-109.0-115.7 154.8 6.2 -10.8 -11.9 56 60 A P > - 0 0 32 0, 0.0 3,-1.8 0, 0.0 4,-0.1 -0.261 43.4 -89.6 -74.5 173.0 2.6 -10.1 -13.1 57 61 A K G > S+ 0 0 149 1,-0.3 3,-2.1 2,-0.2 7,-0.1 0.828 118.5 64.3 -53.7 -43.6 0.7 -6.9 -12.4 58 62 A E G 3 S+ 0 0 137 1,-0.3 -1,-0.3 0, 0.0 -3,-0.0 0.678 114.4 37.0 -57.6 -15.6 -0.9 -7.8 -9.1 59 63 A H G < S+ 0 0 77 -3,-1.8 -1,-0.3 -57,-0.1 -2,-0.2 0.215 83.8 135.7-121.8 15.3 2.6 -8.0 -7.7 60 64 A W < - 0 0 107 -3,-2.1 6,-0.2 -4,-0.1 -3,-0.0 -0.126 65.0 -93.3 -56.6 160.5 4.3 -5.1 -9.6 61 65 A T > - 0 0 6 4,-2.7 3,-2.0 1,-0.1 -1,-0.1 -0.203 40.2 -98.8 -69.1 171.1 6.5 -2.9 -7.4 62 66 A P T 3 S+ 0 0 119 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.869 128.0 56.0 -61.0 -33.2 5.1 0.3 -5.9 63 67 A E T 3 S- 0 0 101 2,-0.1 -2,-0.1 1,-0.1 -3,-0.0 0.472 125.6-106.5 -75.4 -2.8 6.6 2.2 -8.8 64 68 A G < + 0 0 33 -3,-2.0 2,-0.3 1,-0.2 -4,-0.1 0.748 69.7 145.6 86.0 25.6 4.7 -0.1 -11.1 65 69 A H - 0 0 65 1,-0.1 -4,-2.7 -6,-0.1 -1,-0.2 -0.705 39.3-159.9-102.1 154.2 7.6 -2.2 -12.3 66 70 A S + 0 0 26 -2,-0.3 -11,-2.7 -6,-0.2 2,-0.6 0.592 68.6 83.4-102.3 -17.7 7.6 -5.9 -13.3 67 71 A I E +B 54 0A 0 -13,-0.2 -13,-0.2 1,-0.1 3,-0.1 -0.829 44.6 164.0 -95.7 119.6 11.3 -6.9 -13.1 68 72 A V E + 0 0 0 -15,-2.2 25,-2.9 -2,-0.6 2,-0.3 0.339 57.6 14.6-117.3 2.6 12.3 -7.7 -9.5 69 73 A G E -BC 53 92A 0 -16,-0.8 -16,-2.2 23,-0.2 2,-0.3 -0.981 56.3-179.4-168.3 161.4 15.6 -9.5 -9.7 70 74 A F E -BC 52 91A 0 21,-2.5 21,-2.5 -2,-0.3 2,-0.4 -0.991 19.7-147.0-160.5 165.3 18.5 -10.3 -12.1 71 75 A A E -BC 51 90A 0 -20,-2.0 -20,-2.0 -2,-0.3 2,-0.4 -0.986 17.1-159.8-136.3 127.4 21.8 -12.2 -12.5 72 76 A X E +BC 50 89A 0 17,-2.5 16,-2.0 -2,-0.4 17,-1.6 -0.931 26.8 151.1-108.8 133.1 24.4 -10.6 -14.8 73 77 A Y E -BC 49 87A 20 -24,-2.5 -24,-2.7 -2,-0.4 2,-0.3 -0.935 21.9-173.7-152.8 171.6 27.1 -13.0 -16.1 74 78 A Y E - C 0 86A 12 12,-2.0 12,-3.1 -2,-0.3 2,-0.4 -0.960 33.4 -94.4-162.7 168.1 29.5 -13.6 -18.9 75 79 A F E + C 0 85A 47 -2,-0.3 10,-0.2 10,-0.2 2,-0.2 -0.767 39.9 174.9 -99.2 139.4 31.9 -16.3 -20.0 76 80 A T E - C 0 84A 2 8,-2.2 8,-2.4 -2,-0.4 2,-0.3 -0.634 17.0-132.7-127.2-170.3 35.6 -16.2 -19.2 77 81 A Y E - C 0 83A 0 6,-0.2 6,-0.2 -2,-0.2 159,-0.0 -1.000 8.5-163.5-153.3 141.4 38.5 -18.6 -19.7 78 82 A D E > - C 0 82A 29 4,-2.2 4,-3.6 -2,-0.3 3,-0.2 -0.992 25.3-134.0-127.5 135.2 41.5 -20.0 -17.8 79 83 A P T 4 S+ 0 0 0 0, 0.0 120,-0.5 0, 0.0 4,-0.1 0.601 103.1 59.4 -61.0 -16.7 44.4 -21.6 -19.6 80 84 A W T 4 S- 0 0 20 117,-0.2 118,-3.6 2,-0.2 119,-0.9 0.926 130.6 -0.0 -80.0 -47.1 44.4 -24.5 -17.3 81 85 A I T 4 S- 0 0 59 1,-0.3 2,-0.3 -3,-0.2 38,-0.1 0.435 90.8-137.3-123.5 -2.6 40.8 -25.7 -18.0 82 86 A G E < +C 78 0A 1 -4,-3.6 -4,-2.2 36,-0.1 -1,-0.3 -0.622 64.3 45.6 87.6-139.3 39.3 -23.4 -20.5 83 87 A K E +C 77 0A 40 -2,-0.3 36,-2.4 -6,-0.2 37,-0.4 -0.041 54.5 172.6 -51.5 132.6 35.7 -22.1 -20.2 84 88 A L E -C 76 0A 3 -8,-2.4 -8,-2.2 34,-0.2 2,-0.5 -0.945 30.9-128.0-136.7 154.6 34.1 -20.7 -17.0 85 89 A L E -Cd 75 121A 0 35,-2.1 37,-2.3 -2,-0.3 2,-0.6 -0.914 26.4-155.5-101.1 129.2 30.8 -19.0 -16.3 86 90 A Y E -Cd 74 122A 29 -12,-3.1 -12,-2.0 -2,-0.5 2,-0.8 -0.946 3.4-152.4-113.4 118.9 31.5 -15.7 -14.4 87 91 A L E +C 73 0A 7 35,-2.7 37,-0.5 -2,-0.6 -14,-0.2 -0.826 15.7 178.2 -91.8 109.2 28.7 -14.4 -12.2 88 92 A E E - 0 0 35 -16,-2.0 2,-0.3 -2,-0.8 -15,-0.2 0.878 64.8 -9.6 -80.7 -45.0 29.1 -10.6 -12.0 89 93 A D E -C 72 0A 33 -17,-1.6 -17,-2.5 151,-0.0 2,-0.3 -0.988 52.4-170.0-154.4 154.5 26.1 -9.7 -9.8 90 94 A F E +C 71 0A 45 -2,-0.3 2,-0.3 -19,-0.2 -19,-0.2 -0.946 20.7 162.7-149.2 118.9 23.0 -11.5 -8.5 91 95 A F E -C 70 0A 14 -21,-2.5 -21,-2.5 -2,-0.3 2,-0.4 -0.992 20.6-173.6-147.9 135.4 20.2 -9.5 -6.8 92 96 A V E -C 69 0A 12 -2,-0.3 -23,-0.2 -23,-0.2 5,-0.1 -0.997 40.9-106.9-127.5 129.2 16.6 -10.0 -5.8 93 97 A X > - 0 0 9 -25,-2.9 3,-2.3 -2,-0.4 4,-0.2 -0.237 32.4-116.6 -53.5 141.4 14.7 -7.0 -4.5 94 98 A S G > S+ 0 0 68 1,-0.3 3,-1.4 2,-0.2 -1,-0.1 0.857 112.3 53.2 -50.9 -44.0 14.1 -7.4 -0.7 95 99 A D G 3 S+ 0 0 114 1,-0.3 -1,-0.3 3,-0.0 -2,-0.1 0.493 109.1 52.0 -72.2 -3.5 10.3 -7.6 -0.9 96 100 A Y G < S+ 0 0 21 -3,-2.3 3,-0.5 -28,-0.2 5,-0.3 0.207 85.2 105.5-118.0 15.0 10.5 -10.4 -3.5 97 101 A R < + 0 0 130 -3,-1.4 -4,-0.0 1,-0.2 -3,-0.0 -0.495 64.3 44.1 -89.1 160.5 12.9 -12.8 -1.6 98 102 A G S S+ 0 0 82 -2,-0.2 -1,-0.2 1,-0.0 -4,-0.0 0.481 87.9 91.5 86.3 1.7 11.6 -16.0 -0.0 99 103 A F S S- 0 0 99 -3,-0.5 -2,-0.1 -97,-0.0 -96,-0.1 0.323 107.4 -95.8-107.2 0.6 9.4 -17.1 -3.0 100 104 A G S > S+ 0 0 34 -4,-0.0 4,-2.1 3,-0.0 5,-0.2 0.462 87.8 123.3 97.2 2.5 12.1 -19.2 -4.8 101 105 A I H > S+ 0 0 2 -5,-0.3 4,-2.3 2,-0.2 5,-0.2 0.950 75.9 45.9 -63.7 -47.7 13.4 -16.5 -7.3 102 106 A G H > S+ 0 0 21 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.916 113.0 50.6 -62.2 -42.2 17.0 -16.7 -6.2 103 107 A S H > S+ 0 0 74 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.889 110.9 48.0 -63.6 -39.4 17.0 -20.5 -6.2 104 108 A E H X S+ 0 0 68 -4,-2.1 4,-2.6 2,-0.2 -1,-0.2 0.877 110.6 52.3 -70.8 -35.2 15.5 -20.7 -9.7 105 109 A I H X S+ 0 0 0 -4,-2.3 4,-2.8 -5,-0.2 -2,-0.2 0.959 111.3 45.6 -63.4 -48.9 18.0 -18.1 -11.0 106 110 A L H X S+ 0 0 4 -4,-2.6 4,-2.1 2,-0.2 -1,-0.2 0.858 112.4 52.7 -60.6 -35.5 21.0 -20.2 -9.6 107 111 A K H X S+ 0 0 56 -4,-2.0 4,-2.2 -5,-0.2 -1,-0.2 0.947 111.9 44.5 -64.4 -48.6 19.5 -23.4 -11.0 108 112 A N H X S+ 0 0 29 -4,-2.6 4,-2.6 2,-0.2 -2,-0.2 0.915 111.3 53.1 -64.5 -38.5 19.2 -21.8 -14.5 109 113 A L H X S+ 0 0 0 -4,-2.8 4,-2.2 1,-0.2 -1,-0.2 0.902 110.2 49.2 -62.0 -38.3 22.7 -20.3 -14.3 110 114 A S H X S+ 0 0 0 -4,-2.1 4,-2.1 2,-0.2 -1,-0.2 0.887 110.2 50.0 -67.8 -38.9 24.0 -23.8 -13.4 111 115 A Q H X S+ 0 0 72 -4,-2.2 4,-2.4 2,-0.2 -2,-0.2 0.890 109.8 51.1 -66.0 -40.2 22.1 -25.3 -16.4 112 116 A V H X S+ 0 0 37 -4,-2.6 4,-2.6 1,-0.2 -2,-0.2 0.911 108.2 52.8 -61.4 -42.3 23.6 -22.6 -18.7 113 117 A A H X>S+ 0 0 0 -4,-2.2 5,-2.7 1,-0.2 4,-0.9 0.907 108.7 50.1 -59.8 -40.9 27.0 -23.6 -17.3 114 118 A X H ><5S+ 0 0 65 -4,-2.1 3,-0.5 1,-0.2 -2,-0.2 0.894 109.5 49.6 -65.7 -40.5 26.2 -27.2 -18.2 115 119 A R H 3<5S+ 0 0 216 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.900 112.3 49.4 -59.4 -42.9 25.2 -26.2 -21.7 116 120 A a H 3<5S- 0 0 16 -4,-2.6 -1,-0.2 -5,-0.1 -2,-0.2 0.625 107.1-127.7 -66.6 -21.1 28.5 -24.2 -22.0 117 121 A R T <<5 + 0 0 209 -4,-0.9 2,-0.3 -3,-0.5 -3,-0.2 0.850 47.5 174.4 66.9 37.9 30.5 -27.2 -20.7 118 122 A a < - 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