==== 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 HYDROLASE 05-AUG-09 3IJV . COMPND 2 MOLECULE: LYSOZYME C; . SOURCE 2 ORGANISM_SCIENTIFIC: GALLUS GALLUS; . AUTHOR E.PECHKOVA,S.K.TRIPATHI,C.NICOLINI . 129 1 4 4 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 6281.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 88 68.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 2 1.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 11 8.5 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 . 8 6.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 27 20.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 33 25.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 2.3 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 1 0 0 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 PARALLEL BRIDGES PER LADDER . 2 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 ANTIPARALLEL BRIDGES PER LADDER . 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 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 83 0, 0.0 39,-3.7 0, 0.0 2,-0.8 0.000 360.0 360.0 360.0 136.1 -2.2 66.1 -9.5 2 2 A V B -A 39 0A 99 37,-0.3 37,-0.3 38,-0.1 2,-0.2 -0.926 360.0-149.7-103.8 110.7 -2.2 62.8 -11.2 3 3 A F - 0 0 10 35,-2.9 2,-0.2 -2,-0.8 3,-0.0 -0.488 10.1-123.9 -72.5 151.7 1.3 61.5 -11.2 4 4 A G > - 0 0 36 -2,-0.2 4,-3.0 1,-0.1 5,-0.2 -0.529 34.6-105.9 -82.9 159.3 2.7 59.3 -13.9 5 5 A R H > S+ 0 0 57 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.948 119.7 36.7 -53.7 -56.1 4.2 56.1 -12.6 6 6 A a H > S+ 0 0 40 2,-0.2 4,-3.3 1,-0.2 -1,-0.2 0.897 114.5 57.4 -69.5 -33.8 7.8 57.1 -13.0 7 7 A E H > S+ 0 0 88 2,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.921 110.8 43.7 -60.6 -44.5 7.1 60.7 -12.0 8 8 A L H X S+ 0 0 0 -4,-3.0 4,-3.6 2,-0.2 5,-0.3 0.939 111.0 53.4 -67.7 -44.0 5.7 59.5 -8.8 9 9 A A H X S+ 0 0 0 -4,-2.6 4,-3.2 -5,-0.2 5,-0.3 0.960 111.3 48.1 -50.9 -51.8 8.6 57.0 -8.3 10 10 A A H X S+ 0 0 36 -4,-3.3 4,-2.9 1,-0.2 -1,-0.2 0.919 113.2 46.2 -56.3 -45.0 11.0 59.9 -8.8 11 11 A A H X S+ 0 0 18 -4,-2.3 4,-2.0 2,-0.2 -1,-0.2 0.906 113.4 49.6 -67.6 -39.7 9.1 62.2 -6.4 12 12 A M H <>S+ 0 0 0 -4,-3.6 5,-2.7 2,-0.2 6,-0.4 0.939 113.6 45.1 -65.2 -42.9 8.9 59.4 -3.8 13 13 A K H ><5S+ 0 0 79 -4,-3.2 3,-2.2 -5,-0.3 -2,-0.2 0.916 109.4 57.1 -63.4 -41.4 12.5 58.7 -4.1 14 14 A R H 3<5S+ 0 0 192 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.851 107.8 47.6 -59.7 -36.0 13.2 62.4 -4.0 15 15 A H T 3<5S- 0 0 26 -4,-2.0 -1,-0.3 -5,-0.1 -2,-0.2 0.085 123.7-105.1 -95.8 23.3 11.4 62.5 -0.6 16 16 A G T < 5S+ 0 0 36 -3,-2.2 -3,-0.2 1,-0.1 -2,-0.1 0.722 83.4 125.0 65.9 29.6 13.3 59.5 0.6 17 17 A L > < + 0 0 0 -5,-2.7 3,-2.7 -8,-0.1 -4,-0.2 0.697 38.2 108.4 -86.6 -22.8 10.6 56.8 0.4 18 18 A D T 3 S- 0 0 44 -6,-0.4 6,-0.2 1,-0.3 3,-0.1 -0.435 103.6 -6.2 -59.6 118.7 12.7 54.5 -1.7 19 19 A N T > S+ 0 0 101 4,-1.6 3,-2.9 1,-0.3 -1,-0.3 0.532 92.3 163.1 76.8 6.3 13.6 51.7 0.6 20 20 A Y B X S-B 23 0B 64 -3,-2.7 3,-1.7 3,-0.6 -1,-0.3 -0.421 78.9 -3.8 -63.0 126.5 12.1 53.5 3.5 21 21 A R T 3 S- 0 0 158 1,-0.3 -1,-0.3 -2,-0.2 3,-0.1 0.796 135.0 -62.8 52.8 25.9 11.6 51.0 6.3 22 22 A G T < S+ 0 0 66 -3,-2.9 2,-0.8 1,-0.3 -1,-0.3 0.582 102.5 134.1 85.1 10.3 12.8 48.6 3.7 23 23 A Y B < -B 20 0B 44 -3,-1.7 -4,-1.6 -6,-0.2 -3,-0.6 -0.861 52.9-133.4 -99.4 112.4 10.1 49.1 1.2 24 24 A S >> - 0 0 41 -2,-0.8 3,-1.7 -5,-0.3 4,-1.3 -0.174 26.3-103.4 -59.3 155.6 11.4 49.5 -2.2 25 25 A L H 3> S+ 0 0 0 1,-0.3 4,-2.8 2,-0.2 5,-0.3 0.817 119.3 64.5 -50.8 -36.3 10.1 52.3 -4.3 26 26 A G H 3> S+ 0 0 0 1,-0.2 4,-2.9 2,-0.2 -1,-0.3 0.864 99.8 53.9 -61.1 -33.8 8.0 49.9 -6.3 27 27 A N H <> S+ 0 0 19 -3,-1.7 4,-2.7 2,-0.2 -1,-0.2 0.935 110.2 44.3 -65.4 -45.1 6.1 49.1 -3.2 28 28 A W H X S+ 0 0 0 -4,-1.3 4,-2.6 2,-0.2 -2,-0.2 0.868 115.4 47.7 -68.0 -38.8 5.3 52.7 -2.6 29 29 A V H X S+ 0 0 0 -4,-2.8 4,-3.1 2,-0.2 -2,-0.2 0.939 112.8 49.6 -65.0 -41.6 4.4 53.3 -6.2 30 30 A b H X S+ 0 0 0 -4,-2.9 4,-2.3 -5,-0.3 5,-0.3 0.931 111.9 48.2 -63.0 -42.7 2.3 50.2 -6.2 31 31 A A H X S+ 0 0 0 -4,-2.7 4,-2.7 1,-0.2 5,-0.3 0.935 112.8 48.2 -64.1 -43.9 0.6 51.4 -3.0 32 32 A A H X>S+ 0 0 0 -4,-2.6 4,-2.8 1,-0.2 6,-1.3 0.920 108.5 56.1 -61.2 -42.2 0.0 54.8 -4.5 33 33 A K H X5S+ 0 0 61 -4,-3.1 4,-1.4 4,-0.3 -1,-0.2 0.941 117.0 32.8 -56.7 -47.6 -1.3 53.2 -7.7 34 34 A F H <5S+ 0 0 54 -4,-2.3 -1,-0.2 2,-0.2 -2,-0.2 0.741 120.0 50.9 -88.9 -19.5 -4.0 51.3 -5.9 35 35 A E H <5S- 0 0 30 -4,-2.7 -2,-0.2 -5,-0.3 -3,-0.2 0.934 138.8 -6.7 -75.8 -46.8 -4.7 53.7 -3.2 36 36 A S H ><5S- 0 0 11 -4,-2.8 3,-1.8 19,-0.5 -3,-0.2 0.361 84.9-115.8-134.3 0.6 -5.2 56.8 -5.4 37 37 A N T 3< - 0 0 39 4,-3.6 3,-2.3 -2,-0.3 -1,-0.0 -0.621 23.8-112.0 -94.3 153.2 -14.4 55.2 5.0 47 47 A T T 3 S+ 0 0 158 1,-0.3 -1,-0.1 -2,-0.2 4,-0.0 0.813 117.2 59.4 -47.9 -35.1 -17.5 53.4 6.4 48 48 A D T 3 S- 0 0 83 1,-0.1 -1,-0.3 2,-0.0 3,-0.1 0.395 122.5-102.4 -85.6 5.3 -16.5 54.6 9.9 49 49 A G S < S+ 0 0 19 -3,-2.3 -2,-0.1 1,-0.4 2,-0.1 0.279 87.3 118.0 93.4 -9.3 -16.6 58.3 8.9 50 50 A S - 0 0 0 19,-0.1 -4,-3.6 -5,-0.1 -1,-0.4 -0.408 54.5-142.4 -77.8 170.1 -12.9 58.7 8.6 51 51 A T E -C 45 0C 2 -6,-0.3 9,-2.6 -3,-0.1 2,-0.4 -0.984 3.7-134.3-135.4 145.9 -11.6 59.6 5.2 52 52 A D E -CD 44 59C 27 -8,-3.3 -8,-2.2 -2,-0.4 2,-0.5 -0.843 27.8-157.7-100.6 139.4 -8.5 58.6 3.3 53 53 A Y E > -CD 43 58C 21 5,-2.3 5,-2.2 -2,-0.4 3,-0.4 -0.943 31.1 -17.7-127.2 130.9 -6.6 61.3 1.7 54 54 A G T > 5S- 0 0 0 -12,-3.3 3,-1.5 -2,-0.5 30,-0.2 -0.159 97.9 -28.2 91.8-174.0 -4.2 61.7 -1.0 55 55 A I T 3 5S+ 0 0 2 28,-0.6 -19,-0.5 1,-0.3 -17,-0.3 0.770 142.1 33.8 -60.0 -27.9 -1.8 59.7 -3.1 56 56 A L T 3 5S- 0 0 0 -3,-0.4 -1,-0.3 27,-0.3 -2,-0.2 0.300 106.3-124.4-115.4 12.6 -1.4 57.2 -0.3 57 57 A Q T < 5 - 0 0 10 -3,-1.5 -3,-0.2 26,-0.2 2,-0.2 0.901 33.9-165.4 52.7 47.8 -4.9 57.4 1.1 58 58 A I E < -D 53 0C 1 -5,-2.2 -5,-2.3 -6,-0.1 2,-0.3 -0.491 17.6-122.1 -70.6 131.8 -3.8 58.3 4.5 59 59 A N E >>> -D 52 0C 25 -7,-0.2 4,-2.6 -2,-0.2 3,-1.1 -0.577 8.5-148.4 -91.0 137.2 -6.7 57.9 6.9 60 60 A S T 345S+ 0 0 0 -9,-2.6 6,-0.2 -2,-0.3 13,-0.2 0.643 91.3 82.0 -73.9 -13.2 -7.9 60.7 9.1 61 61 A R T 345S- 0 0 47 -10,-0.2 12,-1.9 11,-0.2 -1,-0.2 0.868 121.0 -6.5 -56.1 -36.9 -8.8 58.1 11.7 62 62 A W T <45S+ 0 0 138 -3,-1.1 13,-3.0 10,-0.2 -2,-0.2 0.681 132.8 44.7-123.9 -37.0 -5.2 58.2 12.8 63 63 A W T <5S+ 0 0 22 -4,-2.6 13,-2.4 11,-0.3 15,-0.4 0.750 103.6 20.6-105.9 -29.0 -2.9 60.3 10.7 64 64 A c < - 0 0 0 -5,-0.6 2,-0.7 9,-0.4 11,-0.1 -0.939 69.9-111.8-140.6 161.5 -4.3 63.7 9.8 65 65 A N B +e 79 0D 72 13,-3.4 15,-2.5 -2,-0.3 16,-0.5 -0.841 35.4 159.3 -99.7 123.3 -6.9 66.0 10.9 66 66 A D - 0 0 35 -2,-0.7 -1,-0.1 13,-0.2 8,-0.0 0.380 51.9-124.9-115.9 5.8 -9.9 66.6 8.8 67 67 A G S S+ 0 0 62 2,-0.1 -2,-0.1 -7,-0.1 -7,-0.0 0.528 95.9 73.7 70.9 5.6 -12.0 67.9 11.6 68 68 A R + 0 0 114 1,-0.1 -1,-0.1 2,-0.0 -3,-0.0 0.050 65.4 90.9-139.4 25.1 -14.7 65.4 11.0 69 69 A T S > S- 0 0 5 -9,-0.1 3,-2.3 3,-0.1 -2,-0.1 -0.754 71.8-142.8-121.1 83.7 -13.4 62.2 12.2 70 70 A P T 3 S+ 0 0 106 0, 0.0 3,-0.1 0, 0.0 -2,-0.0 -0.134 81.4 9.1 -50.6 135.0 -14.5 62.0 15.8 71 71 A G T 3 S+ 0 0 81 1,-0.3 -10,-0.0 -9,-0.0 2,-0.0 0.477 98.0 142.0 80.9 1.1 -12.0 60.4 18.2 72 72 A S < - 0 0 29 -3,-2.3 -1,-0.3 1,-0.1 -10,-0.2 -0.260 44.4-137.0 -71.7 160.1 -9.5 60.4 15.5 73 73 A R - 0 0 154 -12,-1.9 -9,-0.4 -13,-0.2 -1,-0.1 -0.549 3.0-148.0-103.2 178.9 -5.9 61.1 16.0 74 74 A N > + 0 0 46 -2,-0.2 3,-1.6 -11,-0.2 -11,-0.3 -0.558 29.8 163.5-147.4 64.1 -3.7 63.3 13.8 75 75 A L T 3 S+ 0 0 49 -13,-3.0 -12,-0.2 1,-0.3 -11,-0.2 0.697 74.8 52.5 -71.0 -21.7 -0.5 61.5 14.3 76 76 A d T 3 S- 0 0 10 -13,-2.4 -1,-0.3 2,-0.2 -12,-0.1 0.508 104.7-133.8 -87.1 -2.1 1.1 63.1 11.3 77 77 A N < + 0 0 132 -3,-1.6 -13,-0.1 1,-0.2 -2,-0.1 0.929 65.0 112.8 47.7 55.7 0.1 66.5 12.7 78 78 A I S S- 0 0 29 -15,-0.4 -13,-3.4 16,-0.0 2,-0.2 -0.988 75.6-102.6-145.0 151.9 -1.2 67.8 9.5 79 79 A P B > -e 65 0D 67 0, 0.0 3,-1.6 0, 0.0 4,-0.5 -0.577 34.9-123.8 -68.2 143.0 -4.5 68.7 8.1 80 80 A c G > S+ 0 0 0 -15,-2.5 3,-2.3 1,-0.3 -14,-0.2 0.863 110.7 69.7 -56.5 -33.7 -5.7 65.9 5.9 81 81 A S G > S+ 0 0 81 -16,-0.5 3,-2.3 1,-0.3 -1,-0.3 0.837 88.2 63.3 -50.8 -34.0 -5.9 68.5 3.2 82 82 A A G X S+ 0 0 30 -3,-1.6 3,-1.0 1,-0.3 9,-0.3 0.735 93.4 65.2 -63.7 -19.2 -2.1 68.8 3.2 83 83 A L G < S+ 0 0 1 -3,-2.3 -28,-0.6 -4,-0.5 -1,-0.3 0.442 93.9 59.1 -83.9 -0.1 -2.2 65.2 2.0 84 84 A L G < S+ 0 0 40 -3,-2.3 -1,-0.2 -30,-0.2 -2,-0.2 0.308 78.3 128.3-108.7 7.8 -3.9 66.2 -1.2 85 85 A S < - 0 0 47 -3,-1.0 -30,-0.2 2,-0.2 6,-0.1 -0.219 67.5-129.9 -64.2 149.8 -1.1 68.5 -2.3 86 86 A S S S+ 0 0 71 2,-0.1 2,-0.5 -45,-0.0 -1,-0.1 0.853 102.2 72.6 -65.8 -29.0 0.5 68.2 -5.7 87 87 A D S S- 0 0 77 1,-0.1 3,-0.5 -47,-0.0 4,-0.3 -0.773 79.5-154.0 -84.5 124.0 3.7 68.2 -3.7 88 88 A I > + 0 0 2 -2,-0.5 4,-2.8 1,-0.2 5,-0.2 0.459 63.7 107.1 -87.4 3.6 3.9 64.8 -2.0 89 89 A T H > S+ 0 0 47 1,-0.2 4,-3.1 2,-0.2 5,-0.3 0.876 81.6 45.7 -47.9 -52.1 6.0 65.9 0.9 90 90 A A H > S+ 0 0 22 -3,-0.5 4,-2.7 -8,-0.3 -1,-0.2 0.927 114.4 48.0 -60.8 -46.0 3.2 65.7 3.5 91 91 A S H > S+ 0 0 4 -9,-0.3 4,-3.1 -4,-0.3 -1,-0.2 0.893 114.4 46.9 -61.5 -39.5 2.0 62.4 2.2 92 92 A V H X S+ 0 0 1 -4,-2.8 4,-3.0 2,-0.2 -2,-0.2 0.949 112.4 47.9 -67.5 -48.5 5.5 61.0 2.2 93 93 A N H X S+ 0 0 69 -4,-3.1 4,-1.6 -5,-0.2 -2,-0.2 0.895 116.9 44.8 -61.1 -40.1 6.3 62.3 5.7 94 94 A d H X S+ 0 0 1 -4,-2.7 4,-2.7 -5,-0.3 -1,-0.2 0.927 111.2 51.7 -69.9 -43.7 3.1 61.0 6.9 95 95 A A H X S+ 0 0 0 -4,-3.1 4,-3.4 -5,-0.2 5,-0.2 0.870 105.7 57.6 -58.0 -36.3 3.5 57.6 5.1 96 96 A K H X S+ 0 0 44 -4,-3.0 4,-0.8 2,-0.2 -1,-0.2 0.940 109.6 43.7 -59.8 -45.7 6.9 57.4 6.7 97 97 A K H >< S+ 0 0 94 -4,-1.6 3,-0.5 2,-0.2 4,-0.3 0.923 114.9 49.9 -62.8 -43.1 5.3 57.6 10.1 98 98 A I H >< S+ 0 0 4 -4,-2.7 3,-2.0 1,-0.3 5,-0.4 0.935 110.1 47.9 -65.4 -46.6 2.6 55.2 9.1 99 99 A V H 3< S+ 0 0 3 -4,-3.4 5,-0.4 1,-0.3 3,-0.4 0.659 110.2 54.2 -72.9 -12.8 4.9 52.6 7.7 100 100 A S T << S+ 0 0 31 -4,-0.8 -1,-0.3 -3,-0.5 -2,-0.2 0.456 81.1 96.6 -89.8 -2.8 6.9 52.9 10.9 101 101 A D S < S- 0 0 98 -3,-2.0 -1,-0.2 -4,-0.3 -2,-0.1 0.534 107.5 -96.1 -71.3 -9.2 3.8 52.3 13.0 102 102 A G S S+ 0 0 64 -3,-0.4 -1,-0.1 -4,-0.1 -3,-0.1 0.091 113.4 70.8 120.3 -23.5 4.7 48.6 13.3 103 103 A N S > S- 0 0 114 -5,-0.4 3,-1.6 1,-0.3 -3,-0.1 0.316 84.4-147.9-107.1 12.0 2.8 46.8 10.5 104 104 A G G > - 0 0 9 -5,-0.4 3,-1.5 1,-0.3 -1,-0.3 -0.248 67.0 -17.9 60.6-146.6 4.9 48.2 7.8 105 105 A M G > S+ 0 0 0 1,-0.3 3,-2.5 2,-0.2 7,-0.3 0.575 114.8 91.6 -77.8 -2.7 3.0 48.8 4.5 106 106 A N G < + 0 0 41 -3,-1.6 -1,-0.3 1,-0.3 6,-0.2 0.739 69.1 80.0 -58.9 -16.7 0.2 46.5 5.6 107 107 A A G < S+ 0 0 49 -3,-1.5 2,-1.0 1,-0.2 -1,-0.3 0.780 82.9 70.4 -56.6 -28.9 -1.3 49.8 6.9 108 108 A W S <> S- 0 0 6 -3,-2.5 4,-2.6 1,-0.2 5,-0.2 -0.837 74.2-162.7 -95.9 101.6 -2.3 50.3 3.3 109 109 A V H > S+ 0 0 78 -2,-1.0 4,-2.8 1,-0.2 5,-0.3 0.893 90.4 51.2 -48.2 -49.8 -5.0 47.8 2.7 110 110 A A H > S+ 0 0 13 1,-0.2 4,-2.8 2,-0.2 5,-0.5 0.865 108.9 52.3 -61.1 -38.7 -4.5 48.1 -1.1 111 111 A W H >>S+ 0 0 10 -6,-0.2 5,-3.6 3,-0.2 4,-2.4 0.952 111.8 45.2 -62.6 -44.9 -0.8 47.5 -0.7 112 112 A R H <5S+ 0 0 96 -4,-2.6 -2,-0.2 -7,-0.3 -1,-0.2 0.952 122.6 36.8 -62.3 -43.0 -1.4 44.4 1.3 113 113 A N H <5S+ 0 0 110 -4,-2.8 -1,-0.2 -5,-0.2 -2,-0.2 0.742 133.9 20.4 -84.4 -22.7 -4.1 43.1 -1.1 114 114 A R H <5S+ 0 0 134 -4,-2.8 -3,-0.2 -5,-0.3 -2,-0.2 0.610 131.3 26.2-124.8 -12.4 -2.6 44.3 -4.3 115 115 A b T ><5S+ 0 0 0 -4,-2.4 3,-2.3 -5,-0.5 -3,-0.2 0.702 85.5 102.6-123.3 -41.9 1.1 44.9 -4.0 116 116 A K T 3 + 0 0 111 1,-0.2 3,-1.4 -3,-0.1 4,-0.3 -0.533 55.8 168.8 -72.2 79.7 6.6 42.1 -8.6 120 120 A V G > + 0 0 16 -2,-2.3 3,-1.6 1,-0.3 4,-0.3 0.700 63.7 77.1 -73.8 -15.4 6.5 45.6 -7.3 121 121 A Q G >> S+ 0 0 100 1,-0.3 3,-2.0 2,-0.2 4,-0.6 0.813 79.1 72.6 -62.2 -26.8 9.6 46.4 -9.2 122 122 A A G X4 S+ 0 0 29 -3,-1.4 3,-0.8 1,-0.3 -1,-0.3 0.825 86.7 66.3 -53.7 -31.5 7.4 46.6 -12.3 123 123 A W G <4 S+ 0 0 47 -3,-1.6 -1,-0.3 -4,-0.3 -2,-0.2 0.741 111.2 30.8 -65.0 -23.2 6.1 49.8 -10.8 124 124 A I G X4 S+ 0 0 32 -3,-2.0 3,-2.2 -4,-0.3 -1,-0.3 0.314 88.0 134.8-114.9 7.4 9.5 51.5 -11.3 125 125 A R T << S+ 0 0 123 -3,-0.8 3,-0.1 -4,-0.6 -119,-0.1 -0.283 79.3 8.1 -59.3 134.5 10.5 49.5 -14.4 126 126 A G T 3 S+ 0 0 83 1,-0.2 -1,-0.3 -120,-0.0 2,-0.2 0.309 94.8 137.4 80.3 -13.6 11.9 51.9 -16.9 127 127 A a < - 0 0 18 -3,-2.2 2,-1.0 1,-0.1 -1,-0.2 -0.516 56.4-136.1 -74.5 134.5 11.9 54.8 -14.6 128 128 A R 0 0 239 -2,-0.2 -1,-0.1 1,-0.2 -118,-0.1 -0.805 360.0 360.0 -79.7 104.2 15.0 57.1 -14.7 129 129 A L 0 0 84 -2,-1.0 -1,-0.2 -5,-0.1 -115,-0.0 0.893 360.0 360.0 -95.5 360.0 15.1 57.3 -10.9