==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=2-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 10-SEP-08 2JLM . COMPND 2 MOLECULE: PUTATIVE PHOSPHINOTHRICIN N-ACETYLTRANSFERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ACINETOBACTER BAYLYI; . AUTHOR A.M.DAVIES,R.TATA,A.SNAPE,B.J.SUTTON,P.R.BROWN . 1073 8 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 49508.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 737 68.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 31 2.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 243 22.6 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 . 6 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 6 0.6 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 . 71 6.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 85 7.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 270 25.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 19 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 0 0 0 0 0 6 1 0 1 2 2 6 0 0 6 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 4 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 0 PARALLEL BRIDGES PER LADDER . 3 0 0 3 9 0 12 6 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 0 0 0 0 0 0 0 0 0 2 1 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 T 0 0 158 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -24.7 35.2 12.6 -21.8 2 7 A T - 0 0 126 1,-0.1 2,-0.6 0, 0.0 98,-0.0 -0.149 360.0-122.9 -66.3 161.1 32.5 14.6 -19.8 3 8 A T - 0 0 66 97,-0.1 2,-0.2 60,-0.0 -1,-0.1 -0.940 25.7-139.5-107.9 112.3 29.5 12.9 -18.2 4 9 A L + 0 0 128 -2,-0.6 60,-0.8 2,-0.0 2,-0.3 -0.491 30.2 165.1 -71.7 138.0 26.2 14.4 -19.4 5 10 A F E -A 63 0A 56 58,-0.2 2,-0.3 -2,-0.2 58,-0.2 -0.955 19.7-155.5-143.2 165.0 23.5 15.0 -16.9 6 11 A R E -A 62 0A 138 56,-2.3 56,-2.5 -2,-0.3 2,-0.3 -0.966 25.3-108.0-138.3 157.0 20.2 16.9 -16.7 7 12 A F E -A 61 0A 75 -2,-0.3 2,-0.3 54,-0.2 54,-0.2 -0.620 35.1-178.5 -85.0 140.5 18.2 18.3 -13.8 8 13 A V E -A 60 0A 26 52,-2.2 52,-2.9 -2,-0.3 2,-0.8 -0.933 33.5-115.2-129.8 164.2 14.9 16.8 -12.8 9 14 A E E -A 59 0A 91 -2,-0.3 50,-0.2 50,-0.2 52,-0.0 -0.866 42.4-132.8 -97.5 109.5 12.3 17.6 -10.1 10 15 A C - 0 0 11 48,-2.6 2,-0.3 -2,-0.8 48,-0.2 -0.286 26.5-177.0 -68.3 147.7 12.5 14.6 -7.8 11 16 A T > - 0 0 61 1,-0.1 4,-2.6 -2,-0.0 5,-0.3 -0.961 35.5-121.1-139.4 157.1 9.4 12.8 -6.5 12 17 A E H > S+ 0 0 60 -2,-0.3 4,-1.9 2,-0.2 5,-0.3 0.934 111.4 53.5 -62.0 -48.7 8.7 10.0 -4.1 13 18 A D H 4 S+ 0 0 107 1,-0.2 -1,-0.2 2,-0.2 4,-0.2 0.916 122.0 29.9 -53.2 -43.5 7.0 7.8 -6.7 14 19 A Q H 4 S+ 0 0 141 1,-0.1 -1,-0.2 2,-0.1 -2,-0.2 0.773 134.6 20.1 -90.5 -27.4 9.9 8.0 -9.1 15 20 A H H X S+ 0 0 4 -4,-2.6 4,-2.9 2,-0.1 5,-0.3 0.416 80.6 108.3-130.2 -0.9 13.0 8.4 -6.8 16 21 A A H X S+ 0 0 22 -4,-1.9 4,-2.5 -5,-0.3 5,-0.2 0.907 87.9 44.4 -51.4 -49.0 12.3 7.3 -3.3 17 22 A L H > S+ 0 0 135 -5,-0.3 4,-1.9 1,-0.2 -1,-0.2 0.894 113.9 49.2 -66.8 -40.3 14.4 4.1 -3.6 18 23 A E H > S+ 0 0 68 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.902 113.8 46.4 -65.6 -39.2 17.3 6.0 -5.3 19 24 A I H X S+ 0 0 0 -4,-2.9 4,-2.9 2,-0.2 -2,-0.2 0.893 109.3 54.1 -69.9 -39.0 17.3 8.7 -2.6 20 25 A L H X S+ 0 0 24 -4,-2.5 4,-3.0 -5,-0.3 5,-0.2 0.923 108.0 50.8 -59.9 -43.5 17.1 6.2 0.2 21 26 A E H X S+ 0 0 79 -4,-1.9 4,-2.0 2,-0.2 -1,-0.2 0.902 111.6 47.4 -61.2 -42.3 20.2 4.4 -1.1 22 27 A I H X S+ 0 0 7 -4,-1.6 4,-2.0 2,-0.2 -2,-0.2 0.943 114.7 45.7 -67.9 -44.4 22.1 7.7 -1.3 23 28 A L H X S+ 0 0 2 -4,-2.9 4,-2.5 2,-0.2 -2,-0.2 0.954 111.0 51.6 -62.8 -48.9 21.1 8.8 2.2 24 29 A N H X S+ 0 0 36 -4,-3.0 4,-2.6 1,-0.3 5,-0.3 0.900 108.7 51.9 -59.1 -41.9 21.8 5.4 3.8 25 30 A D H X S+ 0 0 30 -4,-2.0 4,-2.3 -5,-0.2 -1,-0.3 0.939 110.6 48.0 -56.4 -48.9 25.2 5.3 2.3 26 31 A A H X S+ 0 0 5 -4,-2.0 4,-1.3 1,-0.2 7,-0.5 0.871 112.4 50.8 -58.3 -37.9 25.9 8.8 3.7 27 32 A I H < S+ 0 0 1 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.938 114.7 40.0 -68.3 -47.8 24.6 7.7 7.2 28 33 A I H < S+ 0 0 59 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.865 126.0 33.5 -69.0 -37.4 26.7 4.6 7.5 29 34 A N H < S+ 0 0 30 -4,-2.3 2,-0.3 -5,-0.3 -1,-0.2 0.484 117.5 14.8-104.6 -2.2 29.9 6.0 6.0 30 35 A S < - 0 0 38 -4,-1.3 3,-0.3 -5,-0.2 125,-0.1 -0.924 65.8-106.5-160.2 177.9 30.1 9.7 7.0 31 36 A T S S+ 0 0 19 -2,-0.3 -4,-0.1 1,-0.2 -5,-0.1 0.220 83.9 103.6-102.9 9.8 29.0 12.7 9.1 32 37 A A S S+ 0 0 54 -6,-0.3 2,-0.4 1,-0.2 -1,-0.2 0.765 90.5 40.8 -61.7 -22.8 27.1 14.4 6.2 33 38 A L S S- 0 0 5 -7,-0.5 -1,-0.2 -3,-0.3 -3,-0.1 -0.997 75.6-147.7-125.8 132.1 24.1 13.1 8.1 34 39 A Y + 0 0 14 -2,-0.4 229,-2.6 -3,-0.0 2,-0.2 0.196 65.3 112.1 -85.6 18.4 23.8 13.2 11.9 35 40 A D - 0 0 17 227,-0.2 -2,-0.1 1,-0.1 4,-0.1 -0.618 51.1-162.5 -80.7 149.8 21.7 9.9 11.9 36 41 A Y S S+ 0 0 19 -2,-0.2 -1,-0.1 1,-0.1 321,-0.0 0.837 72.6 50.8 -93.9 -47.3 23.2 6.8 13.4 37 42 A K S S- 0 0 131 1,-0.1 -1,-0.1 -9,-0.0 -9,-0.0 -0.660 90.6-103.7 -98.0 145.5 20.9 4.2 11.9 38 43 A P - 0 0 74 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 -0.131 36.5-121.2 -58.0 161.1 19.9 3.7 8.3 39 44 A R - 0 0 48 -19,-0.2 2,-0.3 -4,-0.1 -15,-0.1 -0.536 19.7-142.2-100.6 171.5 16.5 4.8 7.1 40 45 A S > - 0 0 42 -2,-0.2 4,-1.3 1,-0.1 -1,-0.0 -0.796 33.6 -98.6-128.1 168.9 13.7 2.8 5.5 41 46 A K H > S+ 0 0 51 -2,-0.3 4,-1.2 1,-0.2 3,-0.4 0.890 127.8 52.7 -53.8 -39.3 11.2 3.4 2.7 42 47 A E H > S+ 0 0 151 1,-0.2 4,-0.8 2,-0.2 3,-0.4 0.906 103.0 55.8 -65.1 -42.7 8.7 4.1 5.6 43 48 A S H > S+ 0 0 61 1,-0.2 4,-0.6 2,-0.1 -1,-0.2 0.800 107.2 54.4 -51.3 -32.0 11.1 6.7 7.1 44 49 A M H X S+ 0 0 1 -4,-1.3 4,-3.0 -3,-0.4 5,-0.3 0.806 88.2 72.0 -80.1 -34.8 11.0 8.4 3.7 45 50 A A H X S+ 0 0 42 -4,-1.2 4,-2.4 -3,-0.4 -1,-0.2 0.916 103.7 43.8 -49.3 -49.0 7.3 8.8 3.3 46 51 A A H X S+ 0 0 62 -4,-0.8 4,-2.2 2,-0.2 -1,-0.3 0.814 111.0 55.6 -65.5 -33.0 7.3 11.5 5.9 47 52 A W H X S+ 0 0 50 -4,-0.6 4,-1.6 -3,-0.3 -2,-0.2 0.930 113.4 40.2 -65.8 -46.5 10.4 13.1 4.4 48 53 A F H X S+ 0 0 3 -4,-3.0 4,-2.3 2,-0.2 -2,-0.2 0.860 113.8 54.4 -69.3 -36.9 8.7 13.4 1.1 49 54 A A H X S+ 0 0 21 -4,-2.4 4,-2.4 -5,-0.3 -2,-0.2 0.870 106.2 52.3 -67.3 -37.4 5.4 14.5 2.6 50 55 A T H X S+ 0 0 65 -4,-2.2 4,-0.6 1,-0.2 6,-0.2 0.918 111.4 46.4 -65.0 -42.8 7.1 17.3 4.5 51 56 A K H <>S+ 0 0 22 -4,-1.6 5,-2.3 2,-0.2 4,-0.4 0.886 112.8 50.0 -68.8 -37.0 8.7 18.6 1.4 52 57 A R H ><5S+ 0 0 146 -4,-2.3 3,-1.2 1,-0.2 -2,-0.2 0.960 110.4 48.1 -63.3 -51.7 5.5 18.4 -0.7 53 58 A Q H 3<5S+ 0 0 153 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.556 119.0 39.4 -73.0 -6.3 3.3 20.2 1.9 54 59 A N T 3<5S- 0 0 88 -4,-0.6 -1,-0.3 -3,-0.4 -2,-0.2 0.315 109.2-120.7-116.0 -0.6 5.8 23.0 2.3 55 60 A N T < 5 + 0 0 104 -3,-1.2 -3,-0.2 -4,-0.4 -4,-0.1 0.847 50.6 167.7 57.5 36.5 6.7 23.2 -1.4 56 61 A F < - 0 0 36 -5,-2.3 -1,-0.2 -6,-0.2 -2,-0.1 -0.693 32.8-125.5 -74.4 129.5 10.4 22.5 -0.6 57 62 A P - 0 0 14 0, 0.0 17,-0.9 0, 0.0 2,-0.4 -0.369 17.4-160.4 -75.3 154.2 12.1 21.6 -3.9 58 63 A I E - B 0 73A 12 -48,-0.2 -48,-2.6 15,-0.2 2,-0.5 -0.903 13.1-165.0-131.6 104.4 14.1 18.4 -4.5 59 64 A I E -AB 9 72A 0 13,-2.8 13,-3.1 -2,-0.4 2,-0.3 -0.815 6.7-167.3 -97.4 126.4 16.4 18.9 -7.4 60 65 A G E -AB 8 71A 0 -52,-2.9 -52,-2.2 -2,-0.5 2,-0.5 -0.796 16.9-143.7-111.5 149.1 18.0 15.8 -8.9 61 66 A A E -AB 7 70A 0 9,-3.1 8,-3.0 -2,-0.3 9,-1.0 -0.968 24.3-171.4-109.6 133.6 20.8 15.3 -11.4 62 67 A V E -AB 6 68A 1 -56,-2.5 -56,-2.3 -2,-0.5 6,-0.2 -0.960 16.0-128.1-130.1 135.2 20.2 12.4 -13.7 63 68 A N E > -A 5 0A 17 4,-2.2 3,-2.1 -2,-0.4 -58,-0.2 -0.219 45.4 -81.8 -77.4 175.9 22.5 10.8 -16.3 64 69 A E T 3 S+ 0 0 159 -60,-0.8 -59,-0.1 1,-0.3 -1,-0.1 0.805 132.2 49.0 -46.0 -36.7 21.8 10.2 -19.9 65 70 A V T 3 S- 0 0 106 2,-0.1 -1,-0.3 1,-0.0 -60,-0.0 0.676 120.6-104.4 -81.7 -20.7 19.9 7.0 -19.0 66 71 A G S < S+ 0 0 28 -3,-2.1 2,-0.3 1,-0.3 -2,-0.1 0.489 70.4 143.8 105.9 5.7 17.8 8.6 -16.3 67 72 A Q - 0 0 98 1,-0.1 -4,-2.2 2,-0.0 2,-0.5 -0.593 56.8-109.8 -77.1 139.2 19.6 7.2 -13.2 68 73 A L E +B 62 0A 5 -2,-0.3 -6,-0.2 -6,-0.2 3,-0.1 -0.586 36.3 175.1 -75.2 117.4 19.8 9.6 -10.2 69 74 A L E - 0 0 1 -8,-3.0 25,-2.7 -2,-0.5 2,-0.3 0.596 65.0 -35.0 -95.6 -17.1 23.5 10.7 -9.7 70 75 A G E -BC 61 93A 0 -9,-1.0 -9,-3.1 23,-0.3 -1,-0.4 -0.914 56.0-146.7 167.9 164.9 22.8 13.1 -6.8 71 76 A F E -BC 60 92A 1 21,-2.8 21,-2.9 -2,-0.3 2,-0.3 -0.993 1.2-152.2-154.6 156.6 20.2 15.5 -5.5 72 77 A A E +BC 59 91A 0 -13,-3.1 -13,-2.8 -2,-0.3 2,-0.3 -0.966 21.3 159.9-132.2 146.6 19.9 18.8 -3.6 73 78 A S E -BC 58 90A 6 17,-2.8 17,-2.8 -2,-0.3 2,-0.3 -0.937 21.1-146.8-149.9 173.8 17.1 20.1 -1.3 74 79 A W E + C 0 89A 12 -17,-0.9 15,-0.3 -2,-0.3 2,-0.2 -0.960 16.5 169.0-141.4 165.2 16.3 22.5 1.4 75 80 A G E - C 0 88A 11 13,-2.3 13,-2.7 -2,-0.3 2,-0.1 -0.816 50.8 -38.8-152.3-169.7 14.0 22.6 4.4 76 81 A S E - C 0 87A 68 -2,-0.2 11,-0.2 11,-0.2 3,-0.2 -0.388 40.8-162.7 -61.9 135.8 13.3 24.6 7.5 77 82 A F S S+ 0 0 17 9,-0.9 2,-0.4 1,-0.4 -1,-0.1 0.925 80.8 0.8 -81.2 -58.8 16.5 25.9 9.2 78 83 A R S S- 0 0 30 8,-0.3 2,-1.7 5,-0.2 -1,-0.4 -0.997 79.2-123.0-129.0 139.7 14.8 26.7 12.6 79 84 A A S S+ 0 0 84 -2,-0.4 3,-0.1 -3,-0.2 5,-0.0 -0.548 71.6 103.1 -89.4 78.3 11.1 26.1 13.2 80 85 A F S > S- 0 0 69 -2,-1.7 3,-2.1 1,-0.1 -2,-0.2 -0.964 77.1-117.0-149.6 145.4 9.8 29.6 14.2 81 86 A P G > S+ 0 0 46 0, 0.0 3,-2.0 0, 0.0 135,-0.2 0.830 109.8 65.9 -55.1 -36.7 7.9 32.0 12.0 82 87 A A G 3 S+ 0 0 1 133,-3.1 252,-1.8 1,-0.3 3,-0.3 0.674 95.9 58.7 -62.2 -17.1 10.6 34.7 12.1 83 88 A Y G X + 0 0 9 -3,-2.1 3,-2.8 132,-0.3 -1,-0.3 0.228 67.8 120.9 -93.5 13.3 12.9 32.3 10.2 84 89 A K T < S+ 0 0 81 -3,-2.0 -1,-0.2 1,-0.3 -2,-0.1 0.679 75.2 47.8 -52.4 -24.4 10.5 32.1 7.2 85 90 A Y T 3 S+ 0 0 30 -3,-0.3 35,-2.6 247,-0.3 36,-2.6 0.288 98.4 82.3-103.6 9.1 13.1 33.5 4.8 86 91 A T E < - d 0 121A 5 -3,-2.8 -9,-0.9 34,-0.2 2,-0.3 -0.959 56.3-179.1-116.5 127.5 15.9 31.2 5.9 87 92 A V E -Cd 76 122A 9 34,-2.7 36,-2.6 -2,-0.5 2,-0.5 -0.901 22.9-135.8-120.8 153.5 16.2 27.7 4.6 88 93 A E E -Cd 75 123A 28 -13,-2.7 -13,-2.3 -2,-0.3 2,-0.2 -0.948 28.7-163.1-105.4 126.0 18.7 25.0 5.4 89 94 A H E -Cd 74 124A 3 34,-1.8 36,-0.5 -2,-0.5 2,-0.3 -0.630 12.0-175.3-107.0 163.4 20.0 23.2 2.3 90 95 A S E -C 73 0A 39 -17,-2.8 -17,-2.8 -2,-0.2 2,-0.4 -0.985 7.4-162.8-150.0 154.8 21.7 19.9 1.6 91 96 A V E -C 72 0A 31 -2,-0.3 2,-0.4 -19,-0.2 -19,-0.2 -0.992 6.1-170.9-139.5 131.9 23.2 18.2 -1.4 92 97 A Y E -C 71 0A 31 -21,-2.9 -21,-2.8 -2,-0.4 2,-0.4 -0.996 5.6-160.1-127.2 131.7 24.1 14.5 -1.6 93 98 A I E -C 70 0A 15 -2,-0.4 -23,-0.3 -23,-0.3 5,-0.1 -0.893 30.6-102.6-111.5 137.0 25.9 12.9 -4.5 94 99 A H > - 0 0 48 -25,-2.7 3,-2.6 -2,-0.4 4,-0.1 -0.285 33.0-118.7 -55.2 137.6 25.9 9.2 -5.3 95 100 A K T 3 S+ 0 0 55 1,-0.3 3,-0.5 2,-0.2 -1,-0.1 0.683 111.6 53.7 -56.6 -21.2 29.2 7.5 -4.2 96 101 A D T 3 S+ 0 0 101 1,-0.2 -1,-0.3 -27,-0.1 -2,-0.1 0.505 109.2 48.8 -91.4 -2.3 30.1 6.5 -7.7 97 102 A Y S X S+ 0 0 64 -3,-2.6 3,-0.6 -28,-0.2 5,-0.4 0.057 78.7 126.9-127.3 26.4 29.8 10.0 -9.1 98 103 A R T 3 + 0 0 90 -3,-0.5 279,-0.1 1,-0.2 -3,-0.0 -0.471 63.5 33.4 -82.3 155.0 31.8 12.1 -6.6 99 104 A G T 3 S+ 0 0 70 -2,-0.1 -1,-0.2 1,-0.1 277,-0.0 0.665 87.0 104.8 76.8 17.6 34.6 14.4 -7.7 100 105 A L S < S- 0 0 91 -3,-0.6 -97,-0.1 -98,-0.0 -2,-0.1 0.332 98.1-103.9-107.4 2.0 32.9 15.2 -10.9 101 106 A G S > S+ 0 0 32 3,-0.0 4,-1.9 -4,-0.0 3,-0.2 0.570 81.0 131.5 86.7 10.2 31.7 18.7 -9.9 102 107 A L H > + 0 0 9 -5,-0.4 4,-2.9 1,-0.2 5,-0.2 0.861 64.9 54.2 -66.7 -39.1 28.1 17.6 -9.4 103 108 A S H > S+ 0 0 39 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.847 109.3 51.3 -68.6 -28.3 27.5 19.1 -6.0 104 109 A K H > S+ 0 0 65 2,-0.2 4,-2.7 -3,-0.2 -1,-0.2 0.939 111.4 45.8 -69.2 -48.7 28.6 22.5 -7.4 105 110 A H H X S+ 0 0 70 -4,-1.9 4,-2.0 1,-0.2 -2,-0.2 0.917 115.8 47.0 -58.5 -44.3 26.2 22.2 -10.4 106 111 A L H X S+ 0 0 0 -4,-2.9 4,-2.1 2,-0.2 -1,-0.2 0.846 111.4 50.5 -69.0 -35.2 23.4 21.1 -8.1 107 112 A M H X S+ 0 0 0 -4,-1.9 4,-3.3 -5,-0.2 -2,-0.2 0.924 108.5 52.3 -70.0 -43.5 24.1 23.9 -5.6 108 113 A N H X S+ 0 0 66 -4,-2.7 4,-2.4 1,-0.2 -2,-0.2 0.924 111.6 46.0 -56.8 -45.6 24.0 26.5 -8.3 109 114 A E H X S+ 0 0 54 -4,-2.0 4,-2.2 2,-0.2 -1,-0.2 0.892 113.2 50.4 -65.5 -38.6 20.7 25.3 -9.5 110 115 A L H X S+ 0 0 0 -4,-2.1 4,-1.8 2,-0.2 -2,-0.2 0.921 108.6 52.2 -63.6 -42.9 19.4 25.2 -5.9 111 116 A I H X S+ 0 0 22 -4,-3.3 4,-2.1 1,-0.2 -2,-0.2 0.934 109.1 50.0 -58.0 -45.9 20.7 28.7 -5.4 112 117 A K H X S+ 0 0 98 -4,-2.4 4,-2.0 1,-0.3 -1,-0.2 0.886 109.3 51.3 -60.8 -40.6 18.7 29.8 -8.5 113 118 A R H X S+ 0 0 49 -4,-2.2 4,-0.8 1,-0.2 -1,-0.3 0.848 107.3 54.8 -63.4 -31.6 15.6 28.1 -7.2 114 119 A A H <>S+ 0 0 0 -4,-1.8 5,-2.4 2,-0.2 3,-0.5 0.914 106.5 49.2 -71.6 -42.8 16.1 29.9 -3.9 115 120 A V H ><5S+ 0 0 64 -4,-2.1 3,-1.5 1,-0.2 -1,-0.2 0.945 112.5 49.0 -54.3 -51.0 16.2 33.4 -5.6 116 121 A E H 3<5S+ 0 0 142 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.658 110.0 53.6 -62.8 -19.4 13.0 32.4 -7.5 117 122 A S T 3<5S- 0 0 54 -4,-0.8 -1,-0.3 -3,-0.5 -2,-0.2 0.339 114.8-110.3-104.4 7.0 11.4 31.3 -4.3 118 123 A E T < 5 + 0 0 94 -3,-1.5 -3,-0.2 -4,-0.3 -2,-0.1 0.682 59.7 161.1 76.5 18.4 11.9 34.5 -2.3 119 124 A V < - 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