==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=24-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE (O-GLYCOSYL) 01-SEP-95 193L . COMPND 2 MOLECULE: LYSOZYME; . SOURCE 2 ORGANISM_SCIENTIFIC: GALLUS GALLUS; . AUTHOR M.C.VANEY,S.MAIGNAN,M.RIES-KAUTT,A.DUCRUIX . 129 1 4 4 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 6565.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 86 66.7 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 . 25 19.4 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 86 0, 0.0 39,-2.8 0, 0.0 2,-0.7 0.000 360.0 360.0 360.0 136.9 2.4 10.4 9.2 2 2 A V B -A 39 0A 103 37,-0.2 37,-0.2 38,-0.1 2,-0.1 -0.918 360.0-147.2-102.8 111.9 2.4 13.7 7.3 3 3 A F - 0 0 14 35,-2.9 2,-0.2 -2,-0.7 3,-0.0 -0.445 8.9-123.1 -77.8 153.4 -1.2 15.0 7.2 4 4 A G > - 0 0 35 -2,-0.1 4,-2.5 1,-0.1 5,-0.3 -0.612 33.1-109.0 -84.6 158.7 -2.7 17.0 4.5 5 5 A R H > S+ 0 0 60 -2,-0.2 4,-2.2 1,-0.2 5,-0.1 0.954 117.9 35.4 -54.8 -56.4 -4.1 20.4 5.6 6 6 A a H > S+ 0 0 43 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.824 114.2 58.7 -69.2 -29.5 -7.8 19.4 5.2 7 7 A E H > S+ 0 0 90 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.914 110.1 43.2 -65.5 -41.7 -7.2 15.9 6.3 8 8 A L H X S+ 0 0 0 -4,-2.5 4,-3.0 2,-0.2 5,-0.2 0.914 111.3 54.5 -68.6 -44.2 -5.8 17.2 9.6 9 9 A A H X S+ 0 0 0 -4,-2.2 4,-2.5 -5,-0.3 -2,-0.2 0.942 110.8 46.5 -54.1 -48.3 -8.7 19.7 9.9 10 10 A A H X S+ 0 0 43 -4,-2.7 4,-2.6 1,-0.2 -1,-0.2 0.917 112.9 49.0 -62.2 -43.9 -11.2 16.9 9.5 11 11 A A H X S+ 0 0 16 -4,-2.0 4,-1.6 2,-0.2 -1,-0.2 0.905 112.8 47.4 -63.1 -41.8 -9.4 14.7 12.0 12 12 A M H <>S+ 0 0 1 -4,-3.0 5,-2.4 2,-0.2 6,-0.3 0.905 111.8 50.4 -66.7 -39.8 -9.2 17.5 14.6 13 13 A K H ><5S+ 0 0 77 -4,-2.5 3,-2.0 -5,-0.2 5,-0.2 0.934 109.0 51.1 -63.3 -44.9 -12.8 18.4 14.1 14 14 A R H 3<5S+ 0 0 199 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.825 107.8 54.5 -62.0 -32.7 -13.8 14.8 14.6 15 15 A H T 3<5S- 0 0 30 -4,-1.6 -1,-0.3 -5,-0.2 -2,-0.2 0.287 122.4-106.2 -85.9 9.7 -11.8 14.8 17.8 16 16 A G T < 5S+ 0 0 37 -3,-2.0 -3,-0.2 -5,-0.1 -2,-0.1 0.657 81.7 125.4 78.4 20.0 -13.7 17.8 19.2 17 17 A L > < + 0 0 0 -5,-2.4 3,-2.3 2,-0.1 2,-0.3 0.719 36.6 107.4 -82.5 -20.9 -11.1 20.6 18.7 18 18 A D T 3 S- 0 0 56 -6,-0.3 6,-0.2 1,-0.3 3,-0.1 -0.436 105.6 -8.6 -63.9 116.3 -13.2 23.0 16.7 19 19 A N T > S+ 0 0 96 4,-1.5 3,-2.3 -2,-0.3 2,-0.3 0.596 90.0 163.7 70.9 15.2 -14.0 25.8 19.1 20 20 A Y B X S-B 23 0B 61 -3,-2.3 3,-1.8 3,-0.7 -1,-0.2 -0.499 80.0 -5.2 -66.6 124.1 -12.5 23.8 22.0 21 21 A R T 3 S- 0 0 153 -2,-0.3 -1,-0.3 1,-0.3 3,-0.1 0.774 135.6 -59.1 59.1 27.2 -12.0 26.5 24.8 22 22 A G T < S+ 0 0 66 -3,-2.3 2,-0.7 1,-0.2 -1,-0.3 0.511 104.8 130.9 83.1 6.1 -13.1 29.0 22.2 23 23 A Y B < -B 20 0B 45 -3,-1.8 -4,-1.5 -6,-0.1 -3,-0.7 -0.833 52.0-136.9 -98.5 113.8 -10.4 28.3 19.7 24 24 A S >> - 0 0 43 -2,-0.7 3,-1.7 -5,-0.2 4,-0.9 -0.185 27.8-101.8 -63.9 158.5 -11.8 27.7 16.2 25 25 A L H 3> S+ 0 0 1 1,-0.3 4,-2.2 2,-0.2 3,-0.3 0.808 118.0 64.6 -50.3 -39.9 -10.4 24.9 14.0 26 26 A G H 3> S+ 0 0 1 1,-0.2 4,-2.5 2,-0.2 -1,-0.3 0.829 97.6 56.8 -57.1 -32.0 -8.2 27.2 12.0 27 27 A N H <> S+ 0 0 20 -3,-1.7 4,-2.3 2,-0.2 -1,-0.2 0.921 108.6 45.7 -65.0 -43.6 -6.2 28.0 15.1 28 28 A W H X S+ 0 0 0 -4,-0.9 4,-2.4 -3,-0.3 -2,-0.2 0.881 114.1 47.5 -67.9 -40.0 -5.4 24.3 15.7 29 29 A V H X S+ 0 0 0 -4,-2.2 4,-2.6 2,-0.2 -2,-0.2 0.926 112.8 49.1 -68.7 -42.3 -4.5 23.7 12.1 30 30 A b H X S+ 0 0 0 -4,-2.5 4,-2.3 -5,-0.2 5,-0.2 0.919 111.0 50.6 -62.1 -42.8 -2.3 26.7 12.0 31 31 A A H X S+ 0 0 0 -4,-2.3 4,-2.3 1,-0.2 5,-0.3 0.943 111.4 47.8 -61.2 -45.5 -0.6 25.7 15.2 32 32 A A H X>S+ 0 0 0 -4,-2.4 4,-2.4 1,-0.2 6,-1.3 0.891 109.2 54.8 -62.8 -40.8 0.1 22.2 13.8 33 33 A K H X5S+ 0 0 61 -4,-2.6 4,-1.5 4,-0.2 -1,-0.2 0.953 116.6 34.9 -57.5 -51.5 1.4 23.6 10.6 34 34 A F H <5S+ 0 0 57 -4,-2.3 -1,-0.2 2,-0.2 -2,-0.2 0.731 119.3 49.4 -80.5 -20.5 4.0 25.8 12.3 35 35 A E H <5S- 0 0 36 -4,-2.3 -3,-0.2 -5,-0.2 -2,-0.2 0.917 137.6 -4.0 -82.4 -43.0 4.8 23.5 15.1 36 36 A S H ><5S- 0 0 10 -4,-2.4 3,-1.3 19,-0.4 -3,-0.2 0.384 85.9-114.6-132.0 -0.8 5.4 20.3 13.1 37 37 A N T 3< - 0 0 50 4,-3.2 3,-1.9 -2,-0.3 -1,-0.0 -0.671 25.1-111.5-102.0 160.9 14.9 22.1 24.0 47 47 A T T 3 S+ 0 0 158 1,-0.3 -1,-0.1 -2,-0.2 4,-0.0 0.805 115.8 61.2 -62.7 -31.4 17.9 23.6 25.8 48 48 A D T 3 S- 0 0 83 1,-0.1 -1,-0.3 2,-0.0 3,-0.1 0.446 122.8-104.6 -75.2 -0.4 16.6 22.6 29.2 49 49 A G S < S+ 0 0 19 -3,-1.9 -2,-0.1 1,-0.3 -1,-0.1 0.313 83.9 121.2 97.1 -11.3 16.8 19.0 28.1 50 50 A S - 0 0 0 19,-0.1 -4,-3.2 -5,-0.1 -1,-0.3 -0.309 52.0-140.6 -77.7 170.5 13.1 18.4 27.5 51 51 A T E -C 45 0C 3 -6,-0.3 9,-2.4 -3,-0.1 2,-0.4 -0.979 3.6-134.1-136.7 145.1 11.8 17.4 24.1 52 52 A D E -CD 44 59C 28 -8,-3.1 -8,-1.9 -2,-0.3 2,-0.4 -0.860 28.1-159.2 -98.6 139.0 8.7 18.5 22.1 53 53 A Y E > -CD 43 58C 23 5,-2.1 5,-2.3 -2,-0.4 3,-0.4 -0.954 30.8 -15.8-129.5 139.0 6.8 15.7 20.5 54 54 A G T > 5S- 0 0 0 -12,-2.4 3,-1.9 -2,-0.4 30,-0.2 -0.079 97.5 -31.1 81.3-172.7 4.3 15.2 17.7 55 55 A I T 3 5S+ 0 0 2 28,-0.6 -19,-0.4 1,-0.3 -17,-0.3 0.773 141.3 34.9 -58.7 -30.4 2.0 17.3 15.5 56 56 A L T 3 5S- 0 0 0 -3,-0.4 -1,-0.3 27,-0.2 -2,-0.2 0.201 106.5-124.1-110.3 11.7 1.5 19.8 18.3 57 57 A Q T < 5 - 0 0 11 -3,-1.9 2,-0.3 1,-0.2 -3,-0.2 0.886 33.9-164.3 46.8 56.8 5.0 19.6 19.7 58 58 A I E < -D 53 0C 1 -5,-2.3 -5,-2.1 -6,-0.1 2,-0.3 -0.533 17.5-119.4 -76.6 131.2 3.9 18.7 23.3 59 59 A N E >>> -D 52 0C 27 -2,-0.3 4,-2.4 -7,-0.2 3,-0.9 -0.550 8.3-149.2 -81.5 134.9 6.7 19.2 25.8 60 60 A S T 345S+ 0 0 0 -9,-2.4 6,-0.2 -2,-0.3 9,-0.1 0.591 89.2 78.3 -73.5 -14.4 8.1 16.4 28.0 61 61 A R T 345S- 0 0 49 -10,-0.2 12,-2.4 11,-0.2 -1,-0.2 0.856 121.1 -2.6 -64.3 -31.0 8.9 18.9 30.9 62 62 A W T <45S+ 0 0 138 -3,-0.9 13,-3.1 10,-0.2 -2,-0.2 0.694 131.4 43.9-129.6 -29.6 5.2 18.8 31.9 63 63 A W T <5S+ 0 0 24 -4,-2.4 13,-1.8 11,-0.3 15,-0.4 0.725 106.2 20.8-109.0 -21.8 2.9 16.8 29.7 64 64 A c < - 0 0 0 -5,-0.6 2,-0.6 9,-0.4 11,-0.1 -0.958 68.1-114.7-144.7 161.8 4.4 13.4 28.9 65 65 A N B +e 79 0D 82 13,-2.6 15,-2.2 -2,-0.3 16,-0.4 -0.881 32.8 161.1-101.7 121.6 7.1 11.0 30.1 66 66 A D - 0 0 37 -2,-0.6 -1,-0.1 13,-0.2 -6,-0.0 0.289 53.2-120.5-116.1 6.0 10.1 10.3 27.9 67 67 A G S S+ 0 0 67 2,-0.1 -2,-0.1 1,-0.1 0, 0.0 0.521 97.9 72.2 69.2 6.7 12.3 8.9 30.6 68 68 A R + 0 0 121 1,-0.1 -1,-0.1 2,-0.0 -3,-0.0 0.087 65.0 88.7-141.7 29.0 15.0 11.5 30.1 69 69 A T S > S- 0 0 8 -9,-0.1 3,-1.1 3,-0.1 -2,-0.1 -0.798 73.0-142.1-127.4 81.4 13.7 14.8 31.4 70 70 A P T 3 S+ 0 0 111 0, 0.0 3,-0.1 0, 0.0 -2,-0.0 -0.166 80.6 9.2 -46.2 133.2 14.7 14.8 35.1 71 71 A G T 3 S+ 0 0 83 1,-0.2 2,-0.2 0, 0.0 -10,-0.0 0.834 96.0 142.4 63.4 32.9 12.2 16.3 37.5 72 72 A S < - 0 0 31 -3,-1.1 -10,-0.2 1,-0.0 -1,-0.2 -0.674 45.1-128.7-102.2 159.9 9.5 16.6 34.8 73 73 A R - 0 0 152 -12,-2.4 -9,-0.4 -2,-0.2 3,-0.1 -0.554 0.9-148.8-100.3 169.0 5.8 16.0 35.2 74 74 A N > + 0 0 49 -2,-0.2 3,-1.8 -11,-0.2 -11,-0.3 -0.524 29.5 162.8-136.1 61.7 3.6 13.7 33.1 75 75 A L T 3 S+ 0 0 61 -13,-3.1 -12,-0.2 1,-0.3 -11,-0.1 0.742 76.1 49.0 -58.4 -26.5 0.3 15.6 33.3 76 76 A d T 3 S- 0 0 11 -13,-1.8 -1,-0.3 2,-0.2 -12,-0.1 0.507 104.4-132.4 -91.2 -4.2 -1.2 13.9 30.3 77 77 A N < + 0 0 137 -3,-1.8 -13,-0.1 1,-0.2 -2,-0.1 0.926 64.6 111.6 54.5 53.8 -0.2 10.5 31.8 78 78 A I S S- 0 0 34 -15,-0.4 -13,-2.6 16,-0.0 2,-0.2 -0.988 74.3-104.3-152.3 151.3 1.3 9.1 28.6 79 79 A P B > -e 65 0D 70 0, 0.0 3,-1.5 0, 0.0 4,-0.4 -0.606 36.9-123.0 -73.9 144.4 4.7 8.2 27.2 80 80 A c G > S+ 0 0 0 -15,-2.2 3,-1.8 1,-0.3 4,-0.2 0.828 109.1 70.5 -58.4 -28.7 5.8 10.9 24.8 81 81 A S G > S+ 0 0 81 -16,-0.4 3,-2.0 1,-0.3 4,-0.3 0.826 85.6 66.9 -58.5 -29.6 6.1 8.2 22.1 82 82 A A G X S+ 0 0 31 -3,-1.5 3,-1.0 1,-0.3 -1,-0.3 0.797 91.7 64.1 -60.8 -26.4 2.3 8.0 22.1 83 83 A L G < S+ 0 0 1 -3,-1.8 -28,-0.6 -4,-0.4 -1,-0.3 0.478 94.0 59.7 -77.0 -1.8 2.3 11.6 20.7 84 84 A L G < S+ 0 0 42 -3,-2.0 -1,-0.2 -30,-0.2 -2,-0.2 0.468 78.6 120.9-105.2 -3.6 4.1 10.5 17.5 85 85 A S S < S- 0 0 52 -3,-1.0 6,-0.1 -4,-0.3 -3,-0.0 -0.138 73.4-123.7 -59.2 152.5 1.4 8.0 16.4 86 86 A S S S+ 0 0 73 2,-0.1 2,-0.6 -45,-0.0 -1,-0.1 0.728 102.0 78.1 -68.8 -20.0 -0.4 8.4 13.0 87 87 A D S S- 0 0 90 1,-0.1 3,-0.5 -47,-0.0 4,-0.3 -0.818 73.1-159.6 -90.5 118.5 -3.6 8.4 15.2 88 88 A I > + 0 0 5 -2,-0.6 4,-2.9 1,-0.2 5,-0.3 0.465 62.2 105.5 -81.7 -0.3 -3.8 11.9 16.7 89 89 A T H > S+ 0 0 47 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.881 81.3 45.7 -45.9 -50.5 -6.1 11.0 19.5 90 90 A A H > S+ 0 0 25 -3,-0.5 4,-2.3 -8,-0.3 -1,-0.2 0.917 114.0 49.4 -63.1 -44.0 -3.3 11.1 22.2 91 91 A S H > S+ 0 0 4 -4,-0.3 4,-2.6 -9,-0.3 -2,-0.2 0.919 113.7 46.1 -60.4 -44.2 -2.0 14.5 20.9 92 92 A V H X S+ 0 0 2 -4,-2.9 4,-2.2 2,-0.2 -2,-0.2 0.937 111.9 49.8 -65.5 -46.8 -5.5 15.9 20.8 93 93 A N H X S+ 0 0 73 -4,-2.9 4,-1.1 -5,-0.3 -1,-0.2 0.890 115.2 44.0 -60.1 -40.7 -6.5 14.7 24.3 94 94 A d H X S+ 0 0 1 -4,-2.3 4,-2.3 -5,-0.2 3,-0.4 0.906 109.8 55.9 -71.0 -40.2 -3.3 16.1 25.8 95 95 A A H X S+ 0 0 0 -4,-2.6 4,-2.8 1,-0.2 5,-0.2 0.867 102.3 57.9 -59.6 -36.6 -3.7 19.4 23.9 96 96 A K H X S+ 0 0 46 -4,-2.2 4,-0.8 1,-0.2 -1,-0.2 0.893 107.6 46.4 -61.6 -39.0 -7.1 19.8 25.4 97 97 A K H < S+ 0 0 107 -4,-1.1 4,-0.5 -3,-0.4 3,-0.4 0.915 112.7 50.5 -69.2 -41.8 -5.5 19.6 28.9 98 98 A I H >< S+ 0 0 6 -4,-2.3 3,-1.8 1,-0.2 5,-0.3 0.960 109.4 48.7 -60.8 -50.8 -2.8 22.1 27.9 99 99 A V H 3< S+ 0 0 6 -4,-2.8 3,-0.4 1,-0.3 5,-0.4 0.675 110.3 52.6 -66.4 -16.2 -5.2 24.7 26.4 100 100 A S T 3< S+ 0 0 39 -4,-0.8 -1,-0.3 -3,-0.4 -2,-0.2 0.517 84.0 95.2 -92.8 -7.3 -7.3 24.5 29.6 101 101 A D S < S- 0 0 94 -3,-1.8 -1,-0.2 -4,-0.5 -2,-0.1 0.501 107.2 -95.8 -62.4 -11.2 -4.2 25.1 31.7 102 102 A G S S+ 0 0 67 -3,-0.4 -1,-0.1 -4,-0.1 -3,-0.1 0.005 113.3 69.6 120.4 -33.3 -4.8 28.8 32.0 103 103 A N S > S- 0 0 108 -5,-0.3 3,-1.6 1,-0.3 -4,-0.1 0.369 82.8-152.8 -99.4 4.5 -2.7 30.4 29.2 104 104 A G G > - 0 0 10 -5,-0.4 3,-1.3 1,-0.2 -1,-0.3 -0.255 64.6 -19.0 60.7-143.5 -4.8 29.1 26.4 105 105 A M G > S+ 0 0 0 1,-0.3 3,-2.2 2,-0.1 7,-0.3 0.531 116.3 90.4 -76.4 -3.6 -3.1 28.5 23.1 106 106 A N G < + 0 0 44 -3,-1.6 -1,-0.3 1,-0.3 -2,-0.2 0.685 69.1 79.6 -64.1 -14.8 -0.3 30.9 24.1 107 107 A A G < S+ 0 0 52 -3,-1.3 2,-0.8 1,-0.1 -1,-0.3 0.736 83.0 70.7 -62.0 -24.5 1.3 27.6 25.4 108 108 A W S <> S- 0 0 8 -3,-2.2 4,-2.4 1,-0.2 3,-0.4 -0.865 73.2-160.2 -99.0 108.7 2.3 27.0 21.8 109 109 A V H > S+ 0 0 76 -2,-0.8 4,-2.8 1,-0.2 5,-0.2 0.882 90.3 51.4 -56.3 -42.0 5.0 29.4 20.8 110 110 A A H > S+ 0 0 13 1,-0.2 4,-2.4 2,-0.2 5,-0.5 0.850 109.4 51.2 -67.1 -33.5 4.5 29.1 17.1 111 111 A W H >>S+ 0 0 11 -3,-0.4 5,-3.3 -6,-0.2 4,-2.3 0.952 112.2 46.5 -66.0 -48.3 0.7 29.7 17.5 112 112 A R H <5S+ 0 0 98 -4,-2.4 -2,-0.2 -7,-0.3 -1,-0.2 0.925 122.0 35.9 -59.5 -43.6 1.5 32.9 19.5 113 113 A N H <5S+ 0 0 117 -4,-2.8 -1,-0.2 -5,-0.2 -2,-0.2 0.763 134.0 19.7 -84.9 -22.2 4.1 34.1 17.0 114 114 A R H <5S+ 0 0 141 -4,-2.4 -3,-0.2 -5,-0.2 -2,-0.2 0.577 130.4 29.4-126.2 -13.3 2.6 33.0 13.8 115 115 A b T ><5S+ 0 0 0 -4,-2.3 3,-2.4 -5,-0.5 -3,-0.2 0.735 85.0 102.4-115.3 -43.3 -1.2 32.3 14.1 116 116 A K T 3 + 0 0 112 1,-0.2 3,-1.2 -2,-0.2 4,-0.2 -0.575 54.4 170.6 -81.0 83.0 -6.8 35.1 9.5 120 120 A V G > + 0 0 15 -2,-2.0 3,-1.7 1,-0.3 4,-0.3 0.699 64.0 76.4 -69.7 -18.7 -6.8 31.5 10.8 121 121 A Q G >> S+ 0 0 106 1,-0.3 3,-1.9 2,-0.2 4,-0.7 0.813 81.1 72.7 -61.4 -27.2 -9.9 30.6 8.9 122 122 A A G <4 S+ 0 0 33 -3,-1.2 3,-0.5 1,-0.3 -1,-0.3 0.775 84.6 66.9 -58.4 -27.0 -7.7 30.4 5.8 123 123 A W G <4 S+ 0 0 54 -3,-1.7 -1,-0.3 1,-0.2 -2,-0.2 0.706 109.1 35.5 -69.1 -19.1 -6.2 27.2 7.2 124 124 A I T X4 S+ 0 0 35 -3,-1.9 3,-1.9 -4,-0.3 -1,-0.2 0.414 86.7 129.4-114.0 3.4 -9.5 25.4 6.7 125 125 A R T 3< S+ 0 0 135 -4,-0.7 3,-0.1 -3,-0.5 -119,-0.1 -0.270 75.8 15.8 -62.1 136.5 -10.6 27.2 3.6 126 126 A G T 3 S+ 0 0 82 1,-0.3 -1,-0.3 -120,-0.0 2,-0.2 0.293 95.6 128.2 85.8 -9.7 -11.7 24.8 0.8 127 127 A a < - 0 0 22 -3,-1.9 2,-0.9 1,-0.0 -1,-0.3 -0.535 59.9-133.7 -84.0 147.6 -12.0 21.8 3.2 128 128 A R 0 0 237 -2,-0.2 -118,-0.1 1,-0.2 -1,-0.0 -0.875 360.0 360.0 -97.4 103.4 -15.1 19.6 3.4 129 129 A L 0 0 94 -2,-0.9 -1,-0.2 -5,-0.1 -115,-0.0 0.879 360.0 360.0-100.8 360.0 -15.6 19.4 7.2