==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 15-SEP-04 1XFT . COMPND 2 MOLECULE: LYSOZYME C; . SOURCE 2 ORGANISM_SCIENTIFIC: MELEAGRIS GALLOPAVO; . AUTHOR I.MARGIOLAKI,J.P.WRIGHT . 128 1 4 4 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 6900.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 86 67.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 3 2.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 9 7.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 1.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.8 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 . 6 4.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 26 20.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 32 25.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 3.9 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 0 0 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 0 0 PARALLEL BRIDGES PER LADDER . 3 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 0 ANTIPARALLEL BRIDGES PER LADDER . 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 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 K 0 0 91 0, 0.0 39,-2.8 0, 0.0 40,-1.6 0.000 360.0 360.0 360.0 169.2 -7.0 14.5 -11.0 2 2 A V B -A 39 0A 55 37,-0.3 2,-0.3 38,-0.2 37,-0.2 -0.907 360.0-145.3-154.8 123.4 -7.4 14.1 -7.3 3 3 A Y - 0 0 55 35,-1.7 2,-0.2 -2,-0.3 5,-0.1 -0.706 18.1-111.1-100.0 145.9 -4.5 12.8 -5.2 4 4 A G > - 0 0 34 -2,-0.3 4,-1.9 1,-0.1 5,-0.3 -0.494 33.8-117.0 -72.1 140.8 -4.7 10.6 -2.1 5 5 A R H >> S+ 0 0 108 2,-0.2 4,-4.5 1,-0.2 3,-0.9 0.922 109.1 24.8 -44.1 -75.0 -3.6 12.4 1.1 6 6 A a H 3> S+ 0 0 46 1,-0.3 4,-2.4 2,-0.2 5,-0.3 0.958 119.9 59.1 -60.0 -48.2 -0.5 10.4 2.1 7 7 A E H 34 S+ 0 0 103 1,-0.2 -1,-0.3 2,-0.2 -2,-0.2 0.765 121.0 31.2 -46.6 -27.3 0.1 9.3 -1.5 8 8 A L H XX S+ 0 0 13 -4,-1.9 3,-2.5 -3,-0.9 4,-0.6 0.848 110.5 62.8 -99.3 -53.1 0.3 13.0 -2.1 9 9 A A H >X S+ 0 0 22 -4,-4.5 4,-1.0 -5,-0.3 3,-1.0 0.838 97.6 55.1 -56.2 -38.3 1.7 14.5 1.1 10 10 A A H 3X S+ 0 0 40 -4,-2.4 4,-0.8 1,-0.2 -1,-0.3 0.696 98.8 70.0 -72.9 2.9 5.0 12.8 1.1 11 11 A A H <> S+ 0 0 15 -3,-2.5 4,-0.5 -5,-0.3 3,-0.2 0.850 92.9 52.9 -74.9 -33.8 5.2 14.4 -2.4 12 12 A M H X<>S+ 0 0 34 -3,-1.0 5,-2.4 -4,-0.6 3,-0.6 0.799 101.1 60.9 -67.5 -31.1 5.5 17.9 -0.8 13 13 A K H ><5S+ 0 0 131 -4,-1.0 3,-0.8 1,-0.3 -1,-0.2 0.846 98.4 58.1 -61.2 -35.7 8.4 16.5 1.2 14 14 A R H 3<5S+ 0 0 177 -4,-0.8 -1,-0.3 1,-0.3 -2,-0.2 0.746 109.8 42.6 -64.3 -28.5 9.9 16.0 -2.2 15 15 A L T <<5S- 0 0 48 -3,-0.6 -1,-0.3 -4,-0.5 -2,-0.2 0.383 110.5-127.4 -99.6 0.7 9.5 19.7 -2.8 16 16 A G T < 5 + 0 0 39 -3,-0.8 -3,-0.2 -4,-0.2 -2,-0.1 0.662 61.6 145.8 61.5 16.4 10.7 20.3 0.8 17 17 A L > < + 0 0 6 -5,-2.4 3,-2.3 2,-0.1 -4,-0.2 0.885 42.1 98.9 -49.7 -39.2 7.6 22.4 1.2 18 18 A D T 3 S+ 0 0 65 -6,-0.4 6,-0.3 1,-0.3 3,-0.1 -0.359 98.5 12.1 -55.0 122.5 7.7 21.1 4.7 19 19 A N T > S+ 0 0 106 4,-5.5 2,-0.9 1,-0.3 3,-0.9 0.823 84.9 160.7 68.4 38.9 9.3 24.1 6.4 20 20 A Y B X S-B 23 0B 43 -3,-2.3 3,-1.1 3,-1.3 -1,-0.3 -0.832 87.0 -9.9 -85.8 110.7 8.8 26.2 3.5 21 21 A R T 3 S- 0 0 131 -2,-0.9 -1,-0.3 1,-0.3 3,-0.1 0.929 136.1 -52.9 58.1 48.5 9.1 29.6 5.2 22 22 A G T < S+ 0 0 60 -3,-0.9 2,-0.5 1,-0.2 -1,-0.3 0.447 105.8 145.2 69.1 2.8 9.0 27.7 8.5 23 23 A Y B < -B 20 0B 50 -3,-1.1 -4,-5.5 -6,-0.2 -3,-1.3 -0.599 47.4-136.6 -81.2 122.2 5.8 26.0 7.4 24 24 A S > - 0 0 13 -2,-0.5 4,-1.0 -6,-0.3 3,-0.5 -0.457 21.0-124.9 -68.4 146.4 5.1 22.4 8.4 25 25 A L H > S+ 0 0 13 1,-0.2 4,-4.4 2,-0.2 5,-0.2 0.801 106.1 66.8 -67.7 -30.5 3.8 20.5 5.5 26 26 A G H > S+ 0 0 1 1,-0.3 4,-3.0 2,-0.3 -1,-0.2 0.909 100.6 51.6 -57.0 -40.0 0.7 19.3 7.3 27 27 A N H > S+ 0 0 23 -3,-0.5 4,-1.6 2,-0.2 -1,-0.3 0.878 113.3 45.1 -61.1 -37.4 -0.4 22.9 7.3 28 28 A W H X S+ 0 0 28 -4,-1.0 4,-1.7 2,-0.2 -2,-0.3 0.965 110.6 53.0 -67.4 -53.3 0.3 22.8 3.6 29 29 A V H X S+ 0 0 6 -4,-4.4 4,-1.6 1,-0.2 3,-0.4 0.899 107.3 53.4 -45.1 -53.4 -1.5 19.5 3.3 30 30 A b H X S+ 0 0 1 -4,-3.0 4,-3.0 1,-0.3 5,-0.4 0.922 101.0 56.8 -46.5 -60.8 -4.6 20.9 5.0 31 31 A A H X>S+ 0 0 15 -4,-1.6 4,-5.3 1,-0.3 5,-0.9 0.859 101.9 62.1 -45.5 -40.5 -4.9 23.9 2.7 32 32 A A H X>S+ 0 0 11 -4,-1.7 4,-5.0 -3,-0.4 5,-3.5 0.991 110.4 33.7 -59.7 -65.7 -5.1 21.3 -0.0 33 33 A K H <5S+ 0 0 93 -4,-1.6 -2,-0.2 4,-0.4 -1,-0.2 0.953 126.9 43.7 -58.5 -39.7 -8.3 19.6 1.2 34 34 A F H <5S+ 0 0 84 -4,-3.0 -1,-0.2 1,-0.2 -2,-0.2 0.860 136.5 15.7 -67.2 -39.0 -9.6 23.0 2.5 35 35 A E H <5S+ 0 0 41 -4,-5.3 -3,-0.2 -5,-0.4 -2,-0.2 0.580 152.5 15.7-109.9 -15.2 -8.5 24.9 -0.6 36 36 A S T >< - 0 0 64 4,-5.2 3,-0.8 -2,-0.3 4,-0.4 -0.586 21.2-131.6 -99.5 160.4 -15.5 33.9 -8.6 47 47 A T T 3 S+ 0 0 159 1,-0.3 -1,-0.1 -2,-0.2 4,-0.1 0.113 105.9 78.6 -87.3 16.0 -18.3 36.5 -8.7 48 48 A D T 3 S- 0 0 72 2,-0.4 -1,-0.3 0, 0.0 3,-0.1 0.011 122.7 -96.6-110.7 19.6 -15.2 38.7 -9.0 49 49 A G S < S+ 0 0 32 -3,-0.8 2,-0.3 1,-0.2 -2,-0.1 0.790 96.9 68.4 70.2 29.1 -14.7 37.8 -12.7 50 50 A S - 0 0 0 -4,-0.4 -4,-5.2 19,-0.1 -2,-0.4 -0.983 68.2-126.9-166.9 165.6 -12.1 35.1 -12.2 51 51 A T B -C 45 0C 8 -6,-0.3 9,-1.4 -2,-0.3 -6,-0.3 -0.913 18.1-131.1-118.6 144.9 -11.5 31.6 -10.8 52 52 A D E -D 59 0D 37 -8,-2.9 -8,-0.4 -2,-0.3 7,-0.3 -0.531 44.6-159.6 -75.7 167.8 -8.9 30.4 -8.2 53 53 A Y E >> +D 58 0D 25 5,-1.4 4,-2.5 -10,-0.2 5,-0.7 -0.749 36.4 27.7-138.2-169.9 -7.5 27.3 -10.0 54 54 A G T 45S- 0 0 0 -2,-0.2 30,-0.2 26,-0.2 -10,-0.1 -0.044 102.0 -67.4 58.2-157.3 -5.5 24.2 -9.4 55 55 A I T 45S+ 0 0 5 28,-0.2 -1,-0.2 1,-0.1 -17,-0.2 0.749 137.6 64.7 -93.2 -34.2 -5.7 22.4 -6.2 56 56 A L T 45S- 0 0 26 -20,-0.1 -2,-0.2 -16,-0.1 -1,-0.1 0.842 94.9-149.8 -52.5 -38.0 -3.9 25.4 -4.7 57 57 A Q T <5 + 0 0 2 -4,-2.5 2,-0.3 -15,-0.2 -3,-0.2 0.974 33.2 162.9 55.5 62.4 -7.0 27.4 -5.6 58 58 A I E < -D 53 0D 17 -5,-0.7 -5,-1.4 -7,-0.1 2,-0.5 -0.714 43.6 -96.7-105.0 150.5 -5.1 30.6 -6.2 59 59 A N E >> -D 52 0D 21 -7,-0.3 4,-1.4 -2,-0.3 3,-1.2 -0.654 23.1-156.2 -88.3 126.0 -6.5 33.6 -8.1 60 60 A S T 34 S+ 0 0 0 -9,-1.4 14,-0.9 -2,-0.5 3,-0.5 0.916 86.0 70.3 -54.7 -57.1 -5.6 34.0 -11.8 61 61 A R T 34 S+ 0 0 48 1,-0.3 12,-3.1 11,-0.2 -1,-0.3 0.634 115.3 30.3 -43.6 -16.0 -6.1 37.7 -12.2 62 62 A W T <4 S+ 0 0 159 -3,-1.2 13,-1.8 11,-0.2 -1,-0.3 0.658 137.3 15.3-113.8 -28.2 -3.0 38.0 -10.1 63 63 A W S < S+ 0 0 78 -4,-1.4 13,-2.8 -3,-0.5 14,-0.7 0.870 110.0 28.7-116.6 -56.3 -1.1 34.9 -11.0 64 64 A c E -e 78 0E 6 12,-0.2 2,-0.4 10,-0.2 10,-0.2 -0.199 62.6-120.5-100.4-170.2 -1.8 32.7 -14.1 65 65 A N E +e 79 0E 79 13,-1.0 15,-3.9 1,-0.1 16,-0.6 -0.991 38.7 151.4-140.4 134.3 -3.3 33.1 -17.6 66 66 A D - 0 0 37 -2,-0.4 -1,-0.1 13,-0.2 -6,-0.0 -0.103 65.6-119.1-138.2 15.1 -6.4 31.5 -19.2 67 67 A G S S+ 0 0 64 1,-0.1 -2,-0.1 2,-0.1 5,-0.0 0.519 92.2 98.1 57.8 7.9 -6.7 34.6 -21.3 68 68 A R + 0 0 184 1,-0.1 -1,-0.1 2,-0.1 -3,-0.0 0.874 49.4 89.5 -92.9 -43.8 -10.0 35.2 -19.7 69 69 A T S > S- 0 0 11 1,-0.1 3,-3.0 -18,-0.1 -19,-0.1 -0.400 73.1-123.5 -76.2 112.4 -9.8 37.7 -16.8 70 70 A P T 3 S+ 0 0 96 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 -0.233 94.9 0.0 -58.5 121.3 -10.2 41.4 -17.5 71 71 A G T 3 S+ 0 0 62 1,-0.2 -2,-0.1 -2,-0.1 0, 0.0 0.616 92.2 163.9 80.6 17.8 -7.2 43.3 -16.3 72 72 A S < - 0 0 33 -3,-3.0 -10,-0.2 1,-0.1 -1,-0.2 -0.221 29.7-155.8 -65.9 154.6 -5.4 40.2 -15.0 73 73 A K - 0 0 143 -12,-3.1 -11,-0.2 -13,-0.2 -12,-0.1 0.809 3.0-164.6-102.9 -38.0 -1.8 40.2 -14.2 74 74 A N > + 0 0 26 -14,-0.9 3,-1.4 -10,-0.2 -11,-0.3 0.954 13.7 175.4 47.5 58.4 -0.5 36.6 -14.4 75 75 A L T 3 S+ 0 0 121 -13,-1.8 -12,-0.2 1,-0.3 -1,-0.1 0.622 78.4 62.3 -70.0 -12.0 2.7 37.5 -12.6 76 76 A d T 3 S- 0 0 24 -13,-2.8 -1,-0.3 2,-0.1 -12,-0.2 0.687 99.7-145.9 -81.2 -20.6 3.5 33.8 -12.8 77 77 A N < + 0 0 137 -3,-1.4 -13,-0.1 -14,-0.7 -2,-0.1 0.869 58.1 112.0 57.2 39.1 3.4 34.4 -16.5 78 78 A I E S-e 64 0E 45 -15,-0.6 -13,-1.0 1,-0.0 2,-0.3 -0.753 76.0 -74.2-133.0-179.9 2.0 30.9 -16.9 79 79 A P E -e 65 0E 64 0, 0.0 4,-0.3 0, 0.0 -13,-0.2 -0.570 26.0-146.2 -74.9 133.6 -1.0 29.0 -18.0 80 80 A c S >> S+ 0 0 0 -15,-3.9 3,-0.7 -2,-0.3 4,-0.5 0.840 103.4 55.8 -64.9 -30.4 -3.9 29.0 -15.5 81 81 A S G >4 S+ 0 0 82 -16,-0.6 3,-1.2 1,-0.2 4,-0.5 0.962 83.7 74.7 -64.9 -61.1 -4.3 25.5 -16.8 82 82 A A G 34 S+ 0 0 43 1,-0.2 9,-0.3 2,-0.1 -1,-0.2 0.565 96.7 56.4 -36.8 -12.9 -0.9 24.0 -16.2 83 83 A L G <4 S+ 0 0 11 -3,-0.7 -1,-0.2 -4,-0.3 8,-0.2 0.913 91.5 60.7 -91.5 -46.4 -1.8 23.8 -12.5 84 84 A L S << S+ 0 0 32 -3,-1.2 -2,-0.1 -4,-0.5 -1,-0.1 0.414 84.3 127.7 -62.7 4.8 -5.2 21.7 -12.3 85 85 A S S S- 0 0 42 -4,-0.5 3,-0.1 2,-0.2 -30,-0.1 -0.127 84.6-105.5 -59.8 159.8 -3.1 19.1 -13.8 86 86 A S S S+ 0 0 59 1,-0.2 2,-0.3 -46,-0.1 -1,-0.2 0.301 117.5 59.7 -73.2 12.5 -2.9 15.7 -12.3 87 87 A D > + 0 0 79 -4,-0.2 3,-0.8 -5,-0.1 4,-0.3 -0.751 63.7 178.2-150.5 97.0 0.5 16.9 -11.2 88 88 A I T 3> + 0 0 18 -2,-0.3 4,-3.4 1,-0.2 5,-0.2 0.552 56.2 99.2 -67.3 -25.9 0.2 19.9 -9.1 89 89 A T H 3> S+ 0 0 49 1,-0.2 4,-4.1 2,-0.2 -1,-0.2 0.836 82.6 55.7 -41.1 -42.0 4.0 20.2 -8.4 90 90 A A H <> S+ 0 0 43 -3,-0.8 4,-2.2 2,-0.3 -1,-0.2 0.984 110.9 41.3 -55.9 -60.1 4.1 22.8 -11.1 91 91 A S H > S+ 0 0 0 -9,-0.3 4,-5.7 -4,-0.3 5,-0.3 0.890 114.2 56.4 -52.5 -40.1 1.4 24.9 -9.5 92 92 A V H X S+ 0 0 13 -4,-3.4 4,-4.7 1,-0.2 5,-0.3 0.973 102.6 52.7 -54.7 -56.6 3.2 24.1 -6.3 93 93 A N H X S+ 0 0 69 -4,-4.1 4,-1.5 1,-0.2 -1,-0.2 0.871 118.3 37.6 -50.0 -40.4 6.4 25.5 -7.7 94 94 A d H X S+ 0 0 6 -4,-2.2 4,-2.6 2,-0.2 -2,-0.2 0.953 116.4 50.9 -76.9 -50.2 4.5 28.7 -8.5 95 95 A A H X S+ 0 0 9 -4,-5.7 4,-0.8 1,-0.2 -2,-0.2 0.930 109.7 52.9 -49.4 -48.1 2.4 28.6 -5.4 96 96 A K H >< S+ 0 0 39 -4,-4.7 3,-1.4 -5,-0.3 -1,-0.2 0.921 109.4 46.7 -54.5 -49.5 5.5 28.1 -3.3 97 97 A K H >< S+ 0 0 110 -4,-1.5 3,-2.2 -5,-0.3 -1,-0.2 0.875 103.6 64.6 -62.0 -35.1 7.2 31.2 -4.9 98 98 A I H >< S+ 0 0 29 -4,-2.6 3,-0.9 1,-0.3 -1,-0.3 0.706 92.0 63.5 -61.0 -20.2 4.0 33.1 -4.3 99 99 A A T << S+ 0 0 7 -3,-1.4 -1,-0.3 -4,-0.8 5,-0.2 0.540 73.4 93.1 -81.5 -6.0 4.5 32.7 -0.5 100 100 A S T < S+ 0 0 81 -3,-2.2 -1,-0.2 -4,-0.2 -2,-0.2 0.596 70.7 96.2 -61.9 -7.9 7.7 34.7 -0.9 101 101 A G S < S- 0 0 32 -3,-0.9 3,-0.5 -4,-0.1 -3,-0.0 -0.353 91.3-112.6 -78.7 164.2 5.3 37.5 -0.0 102 102 A G S S+ 0 0 71 1,-0.2 -1,-0.1 -2,-0.1 -3,-0.0 0.897 105.1 69.4 -63.7 -44.0 5.0 38.8 3.5 103 103 A N S > S- 0 0 115 1,-0.1 3,-1.1 2,-0.1 -1,-0.2 0.726 75.7-178.2 -49.5 -38.5 1.4 37.6 4.1 104 104 A G G > - 0 0 7 -3,-0.5 3,-2.2 1,-0.2 4,-0.2 -0.297 65.9 -9.1 70.5-151.1 2.2 33.8 4.2 105 105 A M G > S+ 0 0 8 1,-0.3 3,-3.7 2,-0.2 6,-0.3 0.748 118.7 90.4 -52.8 -18.0 -0.6 31.2 4.6 106 106 A N G < + 0 0 62 -3,-1.1 -1,-0.3 1,-0.3 6,-0.2 0.846 69.4 69.6 -45.9 -41.1 -2.7 34.3 5.3 107 107 A A G < S+ 0 0 75 -3,-2.2 2,-0.8 1,-0.2 -1,-0.3 0.676 96.8 55.5 -59.2 -13.4 -3.5 34.5 1.6 108 108 A W <> + 0 0 30 -3,-3.7 4,-1.3 -4,-0.2 -1,-0.2 -0.927 65.6 175.3-115.3 102.3 -5.5 31.4 2.2 109 109 A V H > S+ 0 0 62 -2,-0.8 4,-3.9 2,-0.3 7,-0.2 0.843 81.1 69.8 -70.2 -30.2 -7.7 32.7 4.9 110 110 A A H > S+ 0 0 10 1,-0.3 4,-4.0 2,-0.3 5,-0.5 0.893 100.6 49.5 -48.6 -38.0 -9.3 29.3 4.4 111 111 A W H 4>S+ 0 0 19 -6,-0.3 5,-3.7 2,-0.3 -1,-0.3 0.911 111.6 42.7 -59.9 -51.3 -6.0 28.4 5.9 112 112 A R H <5S+ 0 0 81 -4,-1.3 -2,-0.3 -7,-0.3 -1,-0.2 0.707 115.2 55.1 -70.4 -20.1 -6.5 30.8 8.6 113 113 A N H <5S- 0 0 92 -4,-3.9 -2,-0.3 -5,-0.1 -3,-0.2 0.962 139.5 -10.8 -73.0 -55.4 -10.0 29.5 8.6 114 114 A R T <5S+ 0 0 105 -4,-4.0 -3,-0.2 -5,-0.2 -2,-0.1 0.826 135.9 50.7-105.8 -66.7 -8.9 25.9 9.1 115 115 A b T > 5S+ 0 0 0 -5,-0.5 3,-0.5 2,-0.1 2,-0.4 0.581 91.8 89.2 -56.9 -19.8 -5.1 25.5 8.7 116 116 A K T 3 + 0 0 91 -2,-0.2 3,-0.8 1,-0.2 -1,-0.1 -0.580 42.6 178.0 -76.8 91.8 -2.5 20.6 14.6 120 120 A V T >> S+ 0 0 14 -2,-1.4 3,-0.9 1,-0.3 4,-0.6 0.594 74.9 61.5 -72.4 -19.8 -0.7 20.3 11.2 121 121 A H H 3> S+ 0 0 81 1,-0.2 4,-1.7 2,-0.2 -1,-0.3 0.615 77.5 90.1 -83.9 -9.2 1.3 17.2 12.1 122 122 A A H <4 S+ 0 0 44 -3,-0.8 -1,-0.2 1,-0.2 -2,-0.2 0.647 94.2 44.4 -56.7 -10.1 -2.1 15.6 12.5 123 123 A W H <4 S+ 0 0 52 -3,-0.9 -1,-0.2 -118,-0.0 -2,-0.2 0.835 105.4 59.4 -96.8 -49.2 -1.4 14.9 8.9 124 124 A I H >< S+ 0 0 69 -4,-0.6 3,-0.8 2,-0.1 -2,-0.2 0.850 83.7 90.9 -49.8 -51.9 2.3 13.8 9.1 125 125 A R T 3< S+ 0 0 139 -4,-1.7 3,-0.1 1,-0.2 0, 0.0 -0.170 86.3 19.8 -64.1 143.3 1.9 10.8 11.4 126 126 A G T 3 S+ 0 0 87 1,-0.1 2,-0.3 -120,-0.0 -1,-0.2 0.710 106.7 90.3 73.1 26.2 1.4 7.2 10.2 127 127 A a < 0 0 55 -3,-0.8 -1,-0.1 -121,-0.0 -4,-0.0 -0.916 360.0 360.0-154.9 124.1 2.6 8.0 6.7 128 128 A R 0 0 252 -2,-0.3 -3,-0.1 -3,-0.1 -4,-0.0 0.397 360.0 360.0 -82.2 360.0 6.2 7.7 5.5