==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=6-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 21-APR-02 1LJF . COMPND 2 MOLECULE: LYSOZYME C; . SOURCE 2 ORGANISM_SCIENTIFIC: GALLUS GALLUS; . AUTHOR N.T.SARASWATHI,R.SANKARANARAYANAN,M.VIJAYAN . 258 2 8 8 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12749.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 175 67.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 4 1.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 22 8.5 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 4 1.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 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 . 16 6.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 57 22.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 63 24.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 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 2 0 0 0 4 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 PARALLEL BRIDGES PER LADDER . 4 2 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 ANTIPARALLEL BRIDGES PER LADDER . 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 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,-2.4 0, 0.0 2,-0.6 0.000 360.0 360.0 360.0 138.7 0.1 45.1 16.1 2 2 A V B -A 39 0A 102 37,-0.2 37,-0.2 38,-0.1 2,-0.1 -0.933 360.0-144.6-108.5 115.2 1.8 45.8 19.4 3 3 A F - 0 0 17 35,-2.2 2,-0.2 -2,-0.6 3,-0.0 -0.455 11.7-123.5 -77.4 148.9 -0.7 46.0 22.3 4 4 A G > - 0 0 36 -2,-0.1 4,-2.1 1,-0.1 5,-0.2 -0.511 35.9-107.6 -80.3 162.1 -0.4 48.4 25.2 5 5 A R H > S+ 0 0 70 1,-0.2 4,-1.9 2,-0.2 -1,-0.1 0.949 117.6 35.7 -59.1 -54.8 -0.4 46.4 28.5 6 6 A a H > S+ 0 0 34 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.845 112.8 61.2 -68.6 -33.6 -3.9 47.5 29.7 7 7 A E H > S+ 0 0 93 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.922 108.5 43.2 -58.2 -44.3 -5.2 47.5 26.1 8 8 A L H X S+ 0 0 0 -4,-2.1 4,-2.8 2,-0.2 5,-0.2 0.896 110.6 55.8 -68.4 -40.0 -4.4 43.8 25.9 9 9 A A H X S+ 0 0 0 -4,-1.9 4,-2.5 1,-0.2 -2,-0.2 0.905 108.9 47.2 -58.6 -42.5 -5.8 43.2 29.4 10 10 A A H X S+ 0 0 28 -4,-2.7 4,-2.2 2,-0.2 -1,-0.2 0.923 111.7 51.1 -65.0 -43.5 -9.1 44.7 28.3 11 11 A A H X S+ 0 0 6 -4,-2.0 4,-1.1 -5,-0.2 -2,-0.2 0.914 112.9 45.0 -59.7 -45.4 -9.1 42.6 25.2 12 12 A M H <>S+ 0 0 2 -4,-2.8 5,-2.2 2,-0.2 3,-0.4 0.905 112.0 50.3 -67.4 -42.5 -8.5 39.4 27.1 13 13 A K H ><5S+ 0 0 89 -4,-2.5 3,-1.4 1,-0.2 -1,-0.2 0.876 108.0 55.7 -62.5 -35.9 -11.1 40.2 29.8 14 14 A R H 3<5S+ 0 0 178 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.802 106.3 50.5 -65.3 -31.1 -13.5 40.9 26.9 15 15 A H T 3<5S- 0 0 47 -4,-1.1 -1,-0.3 -3,-0.4 -2,-0.2 0.209 123.2-103.6 -94.2 15.7 -12.9 37.4 25.5 16 16 A G T < 5S+ 0 0 37 -3,-1.4 -3,-0.2 -5,-0.1 -2,-0.1 0.682 80.6 128.6 75.8 23.1 -13.5 35.7 28.8 17 17 A L > < + 0 0 0 -5,-2.2 3,-1.8 2,-0.1 2,-0.5 0.700 36.3 107.9 -83.2 -18.7 -9.9 34.9 30.0 18 18 A D T 3 S- 0 0 62 -6,-0.3 6,-0.2 1,-0.3 3,-0.1 -0.479 104.4 -10.5 -66.7 113.8 -10.1 36.4 33.4 19 19 A N T > S+ 0 0 97 4,-1.9 3,-2.6 -2,-0.5 -1,-0.3 0.524 90.4 165.3 75.1 10.1 -10.2 33.5 35.9 20 20 A Y B X S-B 23 0B 77 -3,-1.8 3,-2.1 3,-0.6 -1,-0.3 -0.387 77.6 -6.0 -60.0 126.7 -10.7 31.1 33.0 21 21 A R T 3 S- 0 0 156 1,-0.3 -1,-0.3 -2,-0.1 3,-0.1 0.778 136.6 -57.2 55.7 25.8 -10.0 27.6 34.4 22 22 A G T < S+ 0 0 66 -3,-2.6 2,-0.7 1,-0.2 -1,-0.3 0.530 105.3 130.4 86.0 6.9 -9.0 29.4 37.6 23 23 A Y B < -B 20 0B 50 -3,-2.1 -4,-1.9 -6,-0.1 -3,-0.6 -0.851 53.5-132.5-101.0 114.0 -6.3 31.6 36.0 24 24 A S >> - 0 0 38 -2,-0.7 3,-1.6 -5,-0.2 4,-1.0 -0.146 26.2-106.5 -59.3 155.5 -6.5 35.3 36.9 25 25 A L H 3> S+ 0 0 6 1,-0.3 4,-2.2 2,-0.2 3,-0.4 0.842 118.5 65.1 -51.6 -37.8 -6.3 37.9 34.1 26 26 A G H 3> S+ 0 0 4 1,-0.2 4,-2.2 2,-0.2 -1,-0.3 0.828 96.0 57.0 -57.1 -34.3 -2.8 38.8 35.3 27 27 A N H <> S+ 0 0 22 -3,-1.6 4,-2.2 2,-0.2 -1,-0.2 0.908 108.6 45.4 -64.3 -42.2 -1.6 35.3 34.4 28 28 A W H X S+ 0 0 0 -4,-1.0 4,-2.3 -3,-0.4 -2,-0.2 0.894 113.5 48.0 -69.9 -40.7 -2.6 35.7 30.8 29 29 A V H X S+ 0 0 0 -4,-2.2 4,-2.3 2,-0.2 -2,-0.2 0.906 113.5 49.1 -66.2 -39.3 -1.2 39.2 30.4 30 30 A b H X S+ 0 0 0 -4,-2.2 4,-1.9 -5,-0.3 5,-0.2 0.908 110.3 50.2 -66.4 -41.4 2.1 38.0 32.0 31 31 A A H X S+ 0 0 0 -4,-2.2 4,-1.8 1,-0.2 5,-0.2 0.914 112.2 48.4 -63.1 -41.7 2.2 35.0 29.7 32 32 A A H X>S+ 0 0 0 -4,-2.3 4,-2.2 2,-0.2 6,-1.2 0.888 107.2 55.8 -64.9 -40.7 1.6 37.2 26.7 33 33 A K H X5S+ 0 0 61 -4,-2.3 4,-1.2 4,-0.2 -1,-0.2 0.926 117.8 32.9 -59.0 -47.0 4.3 39.7 27.8 34 34 A F H <5S+ 0 0 76 -4,-1.9 -1,-0.2 2,-0.2 -2,-0.2 0.669 117.2 53.6 -88.2 -16.6 7.0 37.0 27.9 35 35 A E H <5S- 0 0 30 -4,-1.8 -2,-0.2 -5,-0.2 -3,-0.2 0.873 139.9 -11.2 -82.9 -36.7 5.8 34.8 25.1 36 36 A S H ><5S- 0 0 13 -4,-2.2 3,-1.2 19,-0.3 -3,-0.2 0.349 84.1-115.0-145.3 5.3 5.7 37.6 22.5 37 37 A N T 3< - 0 0 41 4,-2.8 3,-1.2 -2,-0.3 -1,-0.0 -0.668 23.0-114.6-103.4 163.1 11.8 25.6 16.7 47 47 A T T 3 S+ 0 0 159 1,-0.2 4,-0.1 -2,-0.2 -1,-0.1 0.464 107.8 68.5 -76.6 0.1 14.4 23.0 15.9 48 48 A D T 3 S- 0 0 75 2,-0.2 -1,-0.2 21,-0.0 3,-0.1 0.293 120.4 -97.4-101.3 9.2 11.9 20.3 15.5 49 49 A G S < S+ 0 0 15 -3,-1.2 2,-0.1 1,-0.4 -2,-0.1 0.282 92.3 107.2 95.9 -11.4 10.4 21.7 12.3 50 50 A S - 0 0 0 19,-0.1 -4,-2.8 -5,-0.0 -1,-0.4 -0.446 54.0-147.6 -94.5 171.3 7.4 23.4 14.1 51 51 A T E -C 45 0C 3 -6,-0.2 9,-2.4 -2,-0.1 2,-0.5 -0.988 10.2-130.0-141.5 148.4 6.9 27.1 14.7 52 52 A D E -CD 44 59C 26 -8,-3.0 -8,-1.9 -2,-0.3 2,-0.4 -0.860 29.6-159.0-100.6 132.6 5.2 29.2 17.4 53 53 A Y E > -CD 43 58C 18 5,-2.3 5,-2.1 -2,-0.5 3,-0.4 -0.910 31.2 -17.7-121.4 141.4 2.7 31.9 16.3 54 54 A G T > 5S- 0 0 0 -12,-1.8 3,-1.7 -2,-0.4 -13,-0.1 -0.059 96.7 -31.3 78.4-173.7 1.2 35.0 17.6 55 55 A I T 3 5S+ 0 0 3 28,-0.5 -19,-0.3 1,-0.3 -17,-0.3 0.719 141.6 34.1 -57.8 -27.0 0.7 36.8 20.9 56 56 A L T 3 5S- 0 0 1 -3,-0.4 -1,-0.3 27,-0.2 -2,-0.2 0.183 106.5-124.9-115.3 14.4 0.5 33.6 22.8 57 57 A Q T < 5 - 0 0 19 -3,-1.7 2,-0.3 1,-0.2 -3,-0.2 0.865 32.2-165.2 43.7 58.2 3.0 31.6 20.7 58 58 A I E < -D 53 0C 2 -5,-2.1 -5,-2.3 -6,-0.1 2,-0.2 -0.565 19.7-117.4 -76.9 130.7 0.8 28.7 19.7 59 59 A N E >>> -D 52 0C 25 -2,-0.3 4,-1.8 -7,-0.2 3,-0.8 -0.476 7.8-146.0 -76.1 132.8 2.7 25.7 18.3 60 60 A S T 345S+ 0 0 0 -9,-2.4 6,-0.3 -2,-0.2 9,-0.1 0.622 87.8 75.8 -70.6 -15.9 2.2 24.5 14.7 61 61 A R T 345S- 0 0 47 -10,-0.2 12,-2.2 11,-0.2 -1,-0.2 0.843 120.1 -0.6 -69.7 -28.6 2.8 20.8 15.5 62 62 A W T <45S+ 0 0 134 -3,-0.8 13,-2.5 10,-0.2 -2,-0.2 0.641 130.5 46.5-130.6 -25.5 -0.6 20.3 17.2 63 63 A W T <5S+ 0 0 21 -4,-1.8 13,-1.5 11,-0.2 15,-0.3 0.776 109.7 15.2 -98.5 -29.0 -2.7 23.4 17.2 64 64 A c < - 0 0 0 -5,-0.6 2,-0.6 9,-0.3 -1,-0.2 -0.976 69.6-114.6-144.9 158.2 -2.7 25.1 13.8 65 65 A N B +e 79 0D 72 13,-2.2 15,-1.8 -2,-0.3 16,-0.4 -0.839 33.2 160.8-100.6 121.2 -1.8 24.2 10.3 66 66 A D - 0 0 32 -2,-0.6 -1,-0.1 -6,-0.3 -5,-0.0 0.177 52.9-124.5-116.3 12.4 1.1 26.1 8.6 67 67 A G S S+ 0 0 63 1,-0.1 -2,-0.1 -7,-0.1 -7,-0.0 0.490 95.0 74.4 59.3 8.3 1.5 23.4 6.0 68 68 A R + 0 0 155 2,-0.1 -1,-0.1 -19,-0.1 -3,-0.0 0.068 65.0 101.4-137.7 27.2 5.2 22.7 6.7 69 69 A T S > S- 0 0 9 -9,-0.1 3,-1.7 -19,-0.0 -2,-0.1 -0.953 71.6-121.0-118.7 115.5 5.2 20.8 10.0 70 70 A P T 3 S- 0 0 85 0, 0.0 3,-0.1 0, 0.0 -2,-0.1 -0.203 91.1 -3.9 -53.7 136.1 5.8 17.0 9.9 71 71 A G T 3 S+ 0 0 83 1,-0.2 2,-0.1 -9,-0.0 -10,-0.0 0.737 93.9 168.7 50.8 27.3 3.0 14.9 11.4 72 72 A S < - 0 0 38 -3,-1.7 2,-0.3 2,-0.0 -10,-0.2 -0.379 22.5-155.3 -72.2 146.2 1.3 18.1 12.4 73 73 A R - 0 0 163 -12,-2.2 -9,-0.3 -13,-0.1 2,-0.2 -0.774 9.4-143.9-113.4 163.0 -2.3 17.9 13.7 74 74 A N > + 0 0 53 -2,-0.3 3,-1.2 -11,-0.1 -11,-0.2 -0.613 31.2 160.8-130.0 71.8 -4.6 20.9 13.5 75 75 A L T 3 S+ 0 0 52 -13,-2.5 -12,-0.2 1,-0.3 -11,-0.1 0.686 76.9 49.5 -66.8 -21.6 -6.7 20.6 16.7 76 76 A d T 3 S- 0 0 24 -13,-1.5 -1,-0.3 2,-0.2 -12,-0.1 0.441 104.8-131.6 -97.3 -0.1 -7.8 24.2 16.6 77 77 A N < + 0 0 132 -3,-1.2 -13,-0.1 1,-0.2 -2,-0.1 0.884 65.1 106.9 54.8 49.4 -8.9 23.9 13.0 78 78 A I S S- 0 0 43 -15,-0.3 -13,-2.2 12,-0.0 -2,-0.2 -0.998 73.9-102.0-154.0 152.6 -7.2 27.0 11.7 79 79 A P B > -e 65 0D 65 0, 0.0 3,-1.7 0, 0.0 4,-0.4 -0.538 33.6-125.4 -73.2 144.1 -4.2 28.1 9.6 80 80 A c G > S+ 0 0 1 -15,-1.8 3,-1.7 1,-0.3 -14,-0.1 0.791 107.8 71.1 -59.1 -27.7 -1.4 29.4 11.8 81 81 A S G > S+ 0 0 82 -16,-0.4 3,-1.6 1,-0.3 -1,-0.3 0.797 87.5 63.5 -59.7 -28.9 -1.5 32.6 9.7 82 82 A A G X S+ 0 0 33 -3,-1.7 3,-0.9 1,-0.3 -1,-0.3 0.713 92.6 64.0 -68.6 -20.1 -4.8 33.4 11.5 83 83 A L G < S+ 0 0 1 -3,-1.7 -28,-0.5 -4,-0.4 -1,-0.3 0.428 93.0 64.6 -83.5 2.7 -2.9 33.6 14.8 84 84 A L G < S+ 0 0 38 -3,-1.6 -1,-0.2 -30,-0.1 -2,-0.2 0.177 78.6 114.0-109.0 15.4 -1.0 36.6 13.4 85 85 A S S < S- 0 0 50 -3,-0.9 6,-0.1 2,-0.3 -3,-0.0 -0.371 76.3-118.7 -84.8 165.3 -3.9 39.0 13.1 86 86 A S S S+ 0 0 69 -2,-0.1 2,-0.6 2,-0.0 -1,-0.1 0.718 100.9 76.8 -74.3 -21.5 -4.5 42.2 15.1 87 87 A D S S- 0 0 91 1,-0.1 3,-0.4 -47,-0.0 4,-0.3 -0.823 70.7-159.4 -91.0 123.5 -7.7 40.7 16.4 88 88 A I > + 0 0 7 -2,-0.6 4,-2.7 1,-0.2 5,-0.2 0.420 62.9 105.5 -85.0 2.6 -6.8 38.2 19.1 89 89 A T H > S+ 0 0 47 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.910 80.6 48.3 -47.1 -53.4 -10.1 36.2 18.9 90 90 A A H > S+ 0 0 30 -3,-0.4 4,-1.8 -8,-0.2 -1,-0.2 0.917 113.2 47.5 -55.3 -48.0 -8.5 33.3 17.1 91 91 A S H > S+ 0 0 3 -4,-0.3 4,-2.6 -9,-0.2 -1,-0.2 0.905 112.0 49.6 -61.8 -43.4 -5.6 33.1 19.6 92 92 A V H X S+ 0 0 2 -4,-2.7 4,-2.5 2,-0.2 -2,-0.2 0.935 110.6 48.5 -63.4 -46.9 -7.8 33.3 22.6 93 93 A N H X S+ 0 0 86 -4,-2.5 4,-0.8 -5,-0.2 -1,-0.2 0.864 115.2 44.9 -62.8 -35.4 -10.2 30.6 21.5 94 94 A d H >X S+ 0 0 5 -4,-1.8 4,-2.1 -5,-0.2 3,-0.5 0.891 111.6 53.7 -73.7 -40.0 -7.4 28.2 20.6 95 95 A A H 3X S+ 0 0 0 -4,-2.6 4,-2.8 1,-0.2 5,-0.2 0.882 100.8 60.3 -61.3 -39.1 -5.7 29.1 23.9 96 96 A K H 3< S+ 0 0 46 -4,-2.5 4,-0.4 1,-0.2 -1,-0.2 0.848 107.9 45.4 -59.0 -33.0 -8.8 28.2 25.8 97 97 A K H X< S+ 0 0 98 -4,-0.8 3,-0.8 -3,-0.5 -1,-0.2 0.912 111.5 51.4 -76.0 -42.8 -8.5 24.7 24.4 98 98 A I H >< S+ 0 0 10 -4,-2.1 3,-2.0 1,-0.2 5,-0.4 0.918 106.1 53.3 -60.0 -45.5 -4.8 24.4 25.1 99 99 A V T 3< S+ 0 0 1 -4,-2.8 5,-0.5 1,-0.3 3,-0.3 0.687 109.2 51.2 -65.4 -16.4 -5.1 25.4 28.8 100 100 A S T < S+ 0 0 42 -3,-0.8 -1,-0.3 -4,-0.4 -2,-0.2 0.205 83.0 97.9-103.2 15.1 -7.7 22.7 29.2 101 101 A D S < S- 0 0 86 -3,-2.0 -1,-0.2 3,-0.2 -2,-0.1 0.177 108.5 -85.4 -91.1 16.8 -5.4 20.0 27.7 102 102 A G S S+ 0 0 66 -3,-0.3 -2,-0.1 0, 0.0 -3,-0.1 0.505 116.0 71.0 98.8 5.0 -4.2 18.6 31.0 103 103 A N S > S- 0 0 100 -5,-0.4 3,-1.9 1,-0.3 4,-0.1 0.256 79.8-144.8-133.9 7.7 -1.3 20.9 31.9 104 104 A G G > S- 0 0 16 -5,-0.5 3,-1.0 1,-0.3 -1,-0.3 -0.268 71.9 -27.1 57.9-146.6 -2.9 24.1 32.8 105 105 A M G > S+ 0 0 0 1,-0.2 3,-2.1 2,-0.1 7,-0.3 0.466 116.8 96.2 -80.1 0.8 -0.9 27.1 31.8 106 106 A N G < + 0 0 69 -3,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.649 64.9 81.9 -62.8 -11.8 2.3 25.0 32.0 107 107 A A G < S+ 0 0 52 -3,-1.0 2,-0.8 1,-0.1 -1,-0.3 0.787 82.1 67.5 -63.2 -27.4 1.7 24.6 28.3 108 108 A W S X> S- 0 0 8 -3,-2.1 4,-2.1 1,-0.2 3,-0.5 -0.850 71.8-162.4 -98.9 106.7 3.4 28.0 27.9 109 109 A V H 3> S+ 0 0 91 -2,-0.8 4,-2.4 1,-0.2 5,-0.2 0.851 89.2 53.8 -57.9 -36.8 7.1 27.7 28.8 110 110 A A H 3> S+ 0 0 15 2,-0.2 4,-2.1 1,-0.2 5,-0.3 0.848 107.5 50.9 -68.0 -33.2 7.5 31.4 29.3 111 111 A W H <>>S+ 0 0 11 -3,-0.5 4,-2.9 -6,-0.2 5,-2.6 0.939 111.5 48.5 -66.7 -45.2 4.6 31.6 31.7 112 112 A R H <5S+ 0 0 69 -4,-2.1 -2,-0.2 -7,-0.3 -1,-0.2 0.896 117.1 41.1 -61.1 -42.8 6.1 28.7 33.7 113 113 A N H <5S+ 0 0 65 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.765 132.8 18.3 -79.4 -25.8 9.6 30.4 33.8 114 114 A R H <5S+ 0 0 152 -4,-2.1 -3,-0.2 -5,-0.2 -2,-0.2 0.595 130.4 30.1-123.8 -12.0 8.5 34.0 34.5 115 115 A b T ><5S+ 0 0 0 -4,-2.9 3,-2.4 -5,-0.3 -3,-0.2 0.754 82.4 104.1-115.7 -44.0 4.9 34.1 35.8 116 116 A K T 3 + 0 0 68 1,-0.2 3,-1.6 -3,-0.1 4,-0.2 -0.609 50.9 173.0 -85.3 78.9 2.6 38.2 42.0 120 120 A V G > + 0 0 17 -2,-1.8 3,-1.4 1,-0.3 4,-0.2 0.643 61.8 82.6 -65.5 -13.9 0.8 38.3 38.7 121 121 A Q G > S+ 0 0 148 1,-0.3 3,-1.6 2,-0.2 -1,-0.3 0.762 77.6 72.0 -61.9 -23.3 -1.7 40.9 39.9 122 122 A A G X S+ 0 0 28 -3,-1.6 3,-1.9 1,-0.3 -1,-0.3 0.830 83.5 67.1 -61.3 -33.0 1.0 43.5 39.0 123 123 A W G < S+ 0 0 56 -3,-1.4 -1,-0.3 1,-0.3 -2,-0.2 0.593 99.3 52.6 -65.9 -8.6 0.4 43.0 35.3 124 124 A I G X S+ 0 0 35 -3,-1.6 3,-1.4 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53.3 145 15 B H T 3<5S- 0 0 48 -4,-1.1 -1,-0.3 -3,-0.1 -2,-0.2 0.206 122.1-107.8 -92.4 16.6 2.6 38.9 52.4 146 16 B G T < 5S+ 0 0 41 -3,-2.2 -3,-0.2 -5,-0.1 -2,-0.1 0.821 78.0 131.3 65.1 39.0 1.2 37.9 55.8 147 17 B L > < + 0 0 0 -5,-2.0 3,-2.0 2,-0.1 2,-0.4 0.679 34.1 109.8 -93.6 -18.2 4.4 36.4 57.4 148 18 B D T 3 S- 0 0 65 -6,-0.3 6,-0.2 1,-0.3 3,-0.1 -0.435 102.6 -10.5 -64.7 114.3 4.1 38.3 60.7 149 19 B N T > S+ 0 0 98 4,-1.7 3,-2.3 -2,-0.4 2,-0.3 0.626 88.2 166.7 71.5 15.0 3.3 35.8 63.3 150 20 B Y B X S-G 153 0F 77 -3,-2.0 3,-1.7 3,-0.7 -1,-0.3 -0.483 79.3 -7.3 -63.4 122.7 2.5 33.1 60.7 151 21 B R T 3 S- 0 0 156 -2,-0.3 -1,-0.3 1,-0.3 3,-0.1 0.801 135.3 -56.9 57.2 30.4 2.4 29.9 62.7 152 22 B G T < S+ 0 0 65 -3,-2.3 2,-0.7 1,-0.2 -1,-0.3 0.450 104.8 127.8 85.2 -0.6 3.5 31.8 65.8 153 23 B Y B < -G 150 0F 53 -3,-1.7 -4,-1.7 -6,-0.1 -3,-0.7 -0.826 53.8-135.8 -96.1 115.3 6.8 33.2 64.3 154 24 B S >> - 0 0 30 -2,-0.7 3,-1.6 -5,-0.2 4,-0.9 -0.196 25.4-104.3 -64.9 157.2 7.1 37.0 64.7 155 25 B L H 3> S+ 0 0 4 1,-0.3 4,-1.9 2,-0.2 3,-0.3 0.829 117.7 64.6 -50.6 -39.5 8.3 39.2 61.8 156 26 B G H 3> S+ 0 0 0 1,-0.2 4,-2.3 2,-0.2 -1,-0.3 0.817 96.6 57.7 -56.6 -33.6 11.7 39.6 63.5 157 27 B N H <> S+ 0 0 21 -3,-1.6 4,-2.4 2,-0.2 -1,-0.2 0.917 107.3 45.8 -63.5 -45.4 12.4 35.9 63.0 158 28 B W H X S+ 0 0 0 -4,-0.9 4,-2.3 -3,-0.3 -2,-0.2 0.877 113.3 48.9 -66.6 -39.9 11.9 36.0 59.3 159 29 B V H X S+ 0 0 0 -4,-1.9 4,-2.4 2,-0.2 -2,-0.2 0.933 112.6 48.5 -65.8 -44.6 14.0 39.1 58.8 160 30 B f H X S+ 0 0 0 -4,-2.3 4,-1.9 1,-0.2 5,-0.2 0.907 110.4 52.0 -61.3 -43.0 16.8 37.5 61.0 161 31 B A H X S+ 0 0 0 -4,-2.4 4,-1.9 1,-0.2 5,-0.2 0.918 110.4 48.0 -60.3 -43.6 16.6 34.3 58.9 162 32 B A H X>S+ 0 0 0 -4,-2.3 4,-2.3 1,-0.2 6,-1.2 0.907 107.1 58.0 -63.9 -42.1 16.9 36.2 55.7 163 33 B K H X5S+ 0 0 62 -4,-2.4 4,-1.2 4,-0.2 -2,-0.2 0.929 116.4 31.2 -53.9 -51.4 19.9 38.2 57.0 164 34 B F H <5S+ 0 0 56 -4,-1.9 -1,-0.2 2,-0.2 -2,-0.2 0.697 118.0 54.4 -86.7 -18.2 22.0 35.2 57.8 165 35 B E H <5S- 0 0 38 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-11,-0.1 -11,-0.2 -0.440 20.7 163.8-148.3 64.6 8.5 20.0 43.9 205 75 B L T 3 S+ 0 0 71 -13,-2.8 -12,-0.2 1,-0.3 -11,-0.1 0.731 80.3 49.2 -59.2 -26.1 6.3 20.6 47.0 206 76 B h T 3 S- 0 0 18 -13,-1.5 -1,-0.3 -14,-0.2 -12,-0.1 0.478 103.7-132.8 -92.8 -2.0 5.9 24.3 46.3 207 77 B N < + 0 0 97 -3,-1.8 -13,-0.1 1,-0.2 -2,-0.1 0.913 64.7 111.4 51.5 54.6 5.0 23.7 42.7 208 78 B I S S- 0 0 12 -15,-0.3 -13,-2.3 -91,-0.0 2,-0.2 -0.991 74.2-102.2-152.2 154.4 7.4 26.3 41.3 209 79 B P B > -j 195 0H 3 0, 0.0 3,-1.8 0, 0.0 4,-0.3 -0.566 34.9-125.2 -75.1 143.2 10.6 26.5 39.2 210 80 B g G > S+ 0 0 1 -15,-1.9 3,-1.9 1,-0.3 4,-0.2 0.819 109.3 69.3 -60.3 -25.9 13.6 27.2 41.5 211 81 B S G > S+ 0 0 60 -16,-0.4 3,-1.8 1,-0.3 -1,-0.3 0.787 85.5 68.4 -62.2 -25.1 14.4 30.2 39.3 212 82 B A G X S+ 0 0 10 -3,-1.8 3,-0.7 1,-0.3 9,-0.3 0.705 91.6 60.8 -65.7 -19.9 11.2 31.8 40.7 213 83 B L G < S+ 0 0 1 -3,-1.9 -28,-0.5 -4,-0.3 -1,-0.3 0.467 95.7 62.2 -85.4 -2.3 12.9 32.0 44.1 214 84 B L G < S+ 0 0 37 -3,-1.8 -1,-0.2 -4,-0.2 -2,-0.2 0.357 81.2 114.8-101.9 1.6 15.6 34.2 42.5 215 85 B S S < S- 0 0 41 -3,-0.7 6,-0.1 2,-0.2 -3,-0.0 -0.284 74.3-128.7 -73.0 156.9 13.2 37.0 41.6 216 86 B S S S+ 0 0 77 2,-0.0 2,-0.7 -45,-0.0 -1,-0.1 0.589 98.5 82.9 -78.6 -11.1 13.2 40.5 43.1 217 87 B D S S- 0 0 44 1,-0.1 3,-0.5 -5,-0.1 4,-0.3 -0.864 71.4-161.1 -92.6 114.2 9.5 39.8 43.7 218 88 B I > + 0 0 8 -2,-0.7 4,-2.8 1,-0.2 5,-0.3 0.417 62.2 103.2 -81.7 3.8 9.5 37.8 47.0 219 89 B T H > S+ 0 0 12 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.910 81.7 46.6 -50.9 -51.3 6.1 36.3 46.6 220 90 B A H > S+ 0 0 3 -3,-0.5 4,-2.1 -8,-0.3 -1,-0.2 0.909 114.2 47.9 -60.1 -44.1 7.3 32.8 45.5 221 91 B S H > S+ 0 0 5 -4,-0.3 4,-2.6 -9,-0.3 -1,-0.2 0.933 113.5 46.9 -63.3 -46.5 9.8 32.6 48.3 222 92 B V H X S+ 0 0 2 -4,-2.8 4,-1.6 2,-0.2 -2,-0.2 0.912 112.6 48.6 -63.1 -44.6 7.3 33.7 51.0 223 93 B N H X S+ 0 0 73 -4,-2.6 4,-1.0 -5,-0.3 -1,-0.2 0.894 114.1 46.2 -64.8 -38.0 4.6 31.4 49.8 224 94 B h H >X S+ 0 0 2 -4,-2.1 4,-2.3 -5,-0.2 3,-0.6 0.914 108.2 56.7 -70.0 -40.9 7.0 28.4 49.7 225 95 B A H 3X S+ 0 0 0 -4,-2.6 4,-2.6 1,-0.3 -1,-0.2 0.823 100.6 59.5 -58.4 -33.6 8.4 29.4 53.1 226 96 B K H 3< S+ 0 0 46 -4,-1.6 4,-0.4 1,-0.2 -1,-0.3 0.892 107.7 44.6 -64.0 -37.4 4.8 29.1 54.5 227 97 B K H X< S+ 0 0 91 -4,-1.0 3,-0.6 -3,-0.6 4,-0.3 0.914 113.4 51.2 -72.0 -41.4 4.7 25.5 53.5 228 98 B I H >< S+ 0 0 10 -4,-2.3 3,-2.1 1,-0.2 5,-0.4 0.949 107.7 49.6 -60.6 -52.5 8.1 24.7 54.8 229 99 B V T 3< S+ 0 0 3 -4,-2.6 5,-0.4 1,-0.3 3,-0.3 0.629 110.9 53.2 -64.7 -11.2 7.6 26.2 58.3 230 100 B S T < S+ 0 0 40 -3,-0.6 -1,-0.3 -4,-0.4 -2,-0.2 0.453 84.7 91.6 -99.2 -3.4 4.4 24.1 58.5 231 101 B D S < S- 0 0 109 -3,-2.1 -1,-0.2 -4,-0.3 -2,-0.1 0.467 110.0 -88.1 -74.1 -3.9 6.2 20.9 57.6 232 102 B G S S+ 0 0 73 -3,-0.3 -3,-0.1 -4,-0.1 -1,-0.1 0.357 114.3 69.7 118.0 -8.5 6.9 19.8 61.2 233 103 B N S > S- 0 0 95 -5,-0.4 3,-1.8 1,-0.3 4,-0.1 0.274 80.2-149.3-122.9 8.7 10.2 21.4 62.2 234 104 B G G > - 0 0 14 -5,-0.4 3,-0.9 1,-0.3 -1,-0.3 -0.266 67.9 -24.1 57.5-141.8 9.1 25.1 62.4 235 105 B M G > S+ 0 0 0 1,-0.2 3,-2.0 2,-0.1 -1,-0.3 0.467 117.6 91.9 -82.5 -0.2 11.8 27.5 61.5 236 106 B N G < + 0 0 36 -3,-1.8 -1,-0.2 1,-0.3 -2,-0.2 0.578 66.9 82.1 -68.0 -6.4 14.5 25.0 62.5 237 107 B A G < S+ 0 0 48 -3,-0.9 2,-0.7 -4,-0.1 -1,-0.3 0.666 80.8 72.2 -70.6 -15.7 14.4 24.1 58.8 238 108 B W S <> S- 0 0 7 -3,-2.0 4,-1.8 1,-0.2 3,-0.4 -0.895 70.6-161.9-105.7 108.7 16.7 27.1 58.2 239 109 B V H > S+ 0 0 76 -2,-0.7 4,-1.7 1,-0.2 5,-0.2 0.873 89.9 53.2 -55.5 -44.0 20.2 26.4 59.5 240 110 B A H > S+ 0 0 15 1,-0.2 4,-2.2 2,-0.2 5,-0.4 0.848 107.6 52.9 -62.4 -35.1 21.2 30.0 59.7 241 111 B W H >>S+ 0 0 14 -3,-0.4 5,-2.9 1,-0.2 4,-1.9 0.897 107.7 50.9 -66.4 -41.7 18.2 30.8 61.8 242 112 B R H <5S+ 0 0 97 -4,-1.8 -2,-0.2 -7,-0.2 -1,-0.2 0.838 117.9 38.9 -64.4 -34.6 19.1 28.0 64.2 243 113 B N H <5S+ 0 0 117 -4,-1.7 -2,-0.2 1,-0.1 -1,-0.2 0.758 131.7 19.5 -88.6 -28.6 22.6 29.3 64.6 244 114 B R H <5S+ 0 0 163 -4,-2.2 -3,-0.2 -5,-0.2 -2,-0.2 0.561 130.5 30.2-121.2 -11.0 22.2 33.1 64.6 245 115 B f T ><5S+ 0 0 0 -4,-1.9 3,-2.1 -5,-0.4 -3,-0.2 0.732 85.1 98.3-118.1 -43.3 18.5 33.8 65.5 246 116 B K T 3 + 0 0 113 -2,-0.2 3,-1.9 1,-0.2 4,-0.2 -0.653 44.7 177.5 -86.5 85.1 15.7 38.9 70.8 250 120 B V G > + 0 0 14 -2,-1.7 3,-1.9 1,-0.3 4,-0.3 0.628 66.3 83.6 -64.3 -13.7 14.7 38.9 67.1 251 121 B Q G > S+ 0 0 101 1,-0.3 3,-1.5 2,-0.2 -1,-0.3 0.764 77.3 71.8 -60.9 -22.7 12.4 41.9 67.7 252 122 B A G X S+ 0 0 33 -3,-1.9 3,-1.4 1,-0.3 -1,-0.3 0.771 82.6 69.4 -64.0 -26.1 15.7 43.9 67.3 253 123 B W G < S+ 0 0 56 -3,-1.9 -1,-0.3 1,-0.3 -2,-0.2 0.660 105.1 39.6 -69.4 -14.8 15.6 43.0 63.6 254 124 B I G X> S+ 0 0 33 -3,-1.5 3,-1.9 -4,-0.3 4,-0.6 0.202 85.5 135.0-115.2 14.7 12.5 45.3 63.1 255 125 B R T <4 S+ 0 0 173 -3,-1.4 -119,-0.1 1,-0.3 -3,-0.1 -0.410 76.0 12.9 -63.7 132.9 13.8 48.0 65.5 256 126 B G T 34 S+ 0 0 65 -2,-0.1 -1,-0.3 1,-0.1 -120,-0.1 0.455 100.9 98.8 80.6 -0.9 13.3 51.4 63.9 257 127 B e T <4 - 0 0 18 -3,-1.9 -2,-0.2 -122,-0.0 -1,-0.1 0.803 57.0-172.6 -85.4 -32.1 11.0 50.1 61.2 258 128 B R < 0 0 239 -4,-0.6 -3,-0.1 1,-0.1 -122,-0.0 0.875 360.0 360.0 36.4 59.8 7.9 51.1 63.1 259 129 B L 0 0 115 -5,-0.2 -1,-0.1 -123,-0.0 -123,-0.0 0.789 360.0 360.0 -74.3 360.0 5.6 49.4 60.5