==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 12-OCT-06 2IPS . COMPND 2 MOLECULE: LACTOPEROXIDASE; . SOURCE 2 ORGANISM_SCIENTIFIC: BOS TAURUS; . AUTHOR A.K.SINGH,N.SINGH,S.SHARMA,T.P.SINGH . 595 1 7 7 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 25971.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 350 58.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 2 0.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 43 7.2 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 3 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 1 0.2 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 . 32 5.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 83 13.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 150 25.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 11 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 7 1 1 3 2 1 0 2 0 0 1 0 1 0 0 0 0 0 0 1 1 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 . 12 2 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 0 ANTIPARALLEL BRIDGES PER LADDER . 5 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 S 0 0 97 0, 0.0 2,-0.5 0, 0.0 32,-0.2 0.000 360.0 360.0 360.0 48.6 -2.7 -28.8 22.3 2 2 A W + 0 0 83 30,-0.6 31,-0.0 1,-0.1 0, 0.0 -0.935 360.0 73.5-125.9 113.7 -4.1 -25.9 24.3 3 3 A E > + 0 0 168 -2,-0.5 3,-0.5 30,-0.0 -1,-0.1 0.157 60.0 71.5-169.5 -64.5 -5.6 -26.1 27.8 4 4 A V T 3 + 0 0 126 1,-0.2 3,-0.2 2,-0.0 -2,-0.1 0.809 61.7 92.3 -48.1 -65.5 -3.9 -26.5 31.3 5 5 A G T 3 S- 0 0 72 1,-0.1 -1,-0.2 2,-0.1 2,-0.2 0.456 111.4 -49.0 1.5 -63.1 -1.8 -23.4 32.5 6 6 A a < - 0 0 44 -3,-0.5 -1,-0.1 161,-0.1 -2,-0.0 -0.578 42.6-123.5 170.6 120.1 -4.8 -21.9 34.4 7 7 A G + 0 0 68 -2,-0.2 -2,-0.1 -3,-0.2 160,-0.1 0.834 64.4 173.9 -42.3 -34.2 -8.3 -21.4 33.1 8 8 A A - 0 0 37 1,-0.1 159,-0.1 -3,-0.1 33,-0.0 0.473 46.5 -65.2 46.1 173.2 -7.5 -17.8 34.1 9 9 A P S S+ 0 0 92 0, 0.0 -1,-0.1 0, 0.0 32,-0.1 0.893 84.6 130.1 -53.4 -46.7 -9.3 -14.5 33.7 10 10 A V - 0 0 18 30,-0.5 2,-0.3 1,-0.1 30,-0.1 0.274 65.4-113.5 -16.7 111.9 -9.0 -14.6 29.9 11 11 A P - 0 0 99 0, 0.0 -1,-0.1 0, 0.0 14,-0.1 -0.415 37.0-115.1 -60.7 111.9 -12.7 -13.9 28.2 12 12 A L - 0 0 155 -2,-0.3 2,-0.2 1,-0.1 -2,-0.0 -0.115 35.8-176.7 -62.8 142.1 -14.0 -17.1 26.3 13 13 A V - 0 0 66 0, 0.0 2,-0.4 0, 0.0 -1,-0.1 -0.684 25.8-138.0-126.3 175.4 -14.6 -17.3 22.6 14 14 A K - 0 0 197 -2,-0.2 2,-0.1 14,-0.0 -2,-0.0 -0.989 32.8-128.4-133.8 123.5 -15.8 -19.5 19.8 15 15 A b - 0 0 51 -2,-0.4 13,-0.1 1,-0.1 16,-0.0 -0.385 9.6-154.2 -80.7 154.9 -13.7 -19.5 16.7 16 16 A D - 0 0 105 -2,-0.1 2,-0.4 3,-0.1 -1,-0.1 0.662 15.5-166.2 -95.1 -22.8 -15.0 -18.9 13.1 17 17 A E S S+ 0 0 125 1,-0.2 -1,-0.0 11,-0.1 14,-0.0 0.333 83.0 55.7 53.3 -9.8 -12.2 -21.0 11.5 18 18 A N S S+ 0 0 134 -2,-0.4 -1,-0.2 3,-0.1 -3,-0.0 0.454 74.7 113.0-124.7 -8.8 -13.3 -19.4 8.2 19 19 A S - 0 0 38 1,-0.2 -2,-0.1 2,-0.1 -3,-0.1 -0.497 56.8-150.4 -70.6 130.2 -13.1 -15.7 9.0 20 20 A P S S+ 0 0 73 0, 0.0 2,-0.4 0, 0.0 -1,-0.2 0.375 73.4 90.8 -79.8 8.3 -10.4 -13.9 7.0 21 21 A Y S S- 0 0 32 1,-0.0 -2,-0.1 277,-0.0 274,-0.1 -0.890 78.5-120.6-115.5 136.3 -10.2 -11.5 9.9 22 22 A R - 0 0 35 -2,-0.4 2,-0.2 272,-0.1 6,-0.1 -0.247 33.4-113.6 -61.6 151.9 -7.9 -11.6 13.0 23 23 A T > - 0 0 48 4,-0.5 3,-0.6 1,-0.1 -1,-0.1 -0.579 17.3-126.0 -85.4 154.6 -9.7 -11.6 16.4 24 24 A I T 3 S+ 0 0 30 1,-0.2 160,-0.1 -2,-0.2 -1,-0.1 0.903 111.5 47.4 -66.9 -38.0 -9.2 -8.6 18.6 25 25 A T T 3 S- 0 0 19 13,-0.1 14,-1.9 1,-0.1 -1,-0.2 0.497 112.0-119.0 -82.1 -3.4 -8.0 -10.7 21.5 26 26 A G X + 0 0 4 -3,-0.6 3,-1.0 1,-0.2 12,-0.1 0.283 68.5 136.8 86.2 -12.4 -5.6 -12.7 19.3 27 27 A D T 3 + 0 0 18 1,-0.2 -4,-0.5 2,-0.1 -1,-0.2 -0.122 57.0 33.3 -61.1 168.9 -7.4 -16.0 20.0 28 28 A b T 3 S+ 0 0 13 6,-1.8 -1,-0.2 2,-0.3 7,-0.1 0.496 78.2 115.5 65.0 9.5 -8.0 -18.4 17.1 29 29 A N S < S+ 0 0 5 -3,-1.0 2,-0.6 5,-0.6 -2,-0.1 0.916 78.8 45.4 -71.9 -40.0 -4.9 -17.5 15.2 30 30 A N S S- 0 0 4 3,-0.5 -2,-0.3 6,-0.3 -1,-0.2 -0.920 75.4-157.0-105.5 120.2 -3.6 -21.0 15.8 31 31 A R S S+ 0 0 161 -2,-0.6 -1,-0.1 1,-0.2 -16,-0.1 0.729 92.7 43.5 -68.9 -25.5 -6.2 -23.7 15.1 32 32 A R S S+ 0 0 173 1,-0.3 -30,-0.6 301,-0.1 -1,-0.2 0.855 126.6 29.7 -86.7 -42.5 -4.6 -26.4 17.3 33 33 A S S S- 0 0 5 -32,-0.2 -3,-0.5 1,-0.1 -1,-0.3 -0.945 77.0-170.4-119.9 99.7 -3.8 -24.1 20.3 34 34 A P S S+ 0 0 50 0, 0.0 -6,-1.8 0, 0.0 -5,-0.6 0.813 82.9 37.7 -59.9 -38.7 -6.5 -21.4 20.2 35 35 A A S > S+ 0 0 4 -8,-0.2 3,-3.2 -7,-0.1 -4,-0.1 0.607 76.6 124.2 -98.0 -14.8 -5.1 -19.2 22.7 36 36 A L T 3 S+ 0 0 18 1,-0.3 -6,-0.3 -6,-0.2 -7,-0.2 -0.305 91.7 12.1 -45.8 120.8 -1.4 -19.5 21.9 37 37 A G T 3 S+ 0 0 4 1,-0.3 148,-1.8 -8,-0.1 149,-0.3 0.179 95.7 135.8 96.4 -18.0 -0.6 -15.8 21.3 38 38 A A < - 0 0 5 -3,-3.2 -1,-0.3 146,-0.2 -12,-0.2 -0.382 58.0-101.0 -71.5 143.1 -3.8 -14.3 22.7 39 39 A A S S+ 0 0 10 -14,-1.9 143,-0.2 1,-0.2 145,-0.1 -0.084 97.4 37.1 -62.1 156.6 -3.7 -11.3 25.1 40 40 A N S S+ 0 0 62 141,-2.5 -30,-0.5 143,-0.3 2,-0.3 0.878 92.1 113.5 68.0 39.8 -4.0 -11.4 28.9 41 41 A R E S-A 181 0A 54 140,-1.2 140,-2.4 142,-0.3 -1,-0.3 -0.787 75.6 -72.0-129.2 173.7 -2.0 -14.6 29.1 42 42 A A E -A 180 0A 35 -2,-0.3 138,-0.2 138,-0.2 137,-0.1 -0.442 47.5-111.4 -75.0 143.8 1.4 -15.4 30.6 43 43 A L - 0 0 7 136,-2.4 2,-0.3 -2,-0.1 297,-0.2 -0.293 44.0 -99.0 -62.8 154.5 4.6 -14.3 28.9 44 44 A A B -b 340 0B 0 295,-3.1 297,-2.6 134,-0.0 2,-0.6 -0.585 28.9-140.9 -82.5 142.5 6.6 -17.2 27.5 45 45 A R + 0 0 56 -2,-0.3 4,-0.0 295,-0.2 295,-0.0 -0.900 21.2 176.7-106.1 114.2 9.6 -18.6 29.5 46 46 A W S S+ 0 0 54 -2,-0.6 -1,-0.1 1,-0.2 294,-0.0 0.686 79.3 20.0 -84.9 -21.4 12.7 -19.7 27.5 47 47 A L S S- 0 0 53 400,-0.0 -1,-0.2 3,-0.0 3,-0.1 -0.965 102.1 -80.6-141.9 155.7 14.6 -20.5 30.7 48 48 A P - 0 0 99 0, 0.0 -2,-0.1 0, 0.0 2,-0.1 -0.259 53.6-105.1 -59.4 145.5 13.5 -21.3 34.2 49 49 A A - 0 0 29 5,-0.1 2,-0.6 397,-0.1 397,-0.2 -0.365 26.3-142.3 -69.2 149.9 12.6 -18.3 36.3 50 50 A E + 0 0 68 395,-2.6 9,-0.3 394,-0.1 2,-0.3 -0.896 31.0 161.0-121.9 100.4 15.1 -17.3 39.0 51 51 A Y > - 0 0 11 -2,-0.6 3,-0.7 7,-0.1 392,-0.1 -0.776 49.0-114.3-114.4 161.1 13.6 -16.1 42.2 52 52 A E T 3 S+ 0 0 22 5,-3.4 -1,-0.1 -2,-0.3 7,-0.1 0.882 122.8 26.7 -60.8 -45.4 15.0 -15.7 45.7 53 53 A D T 3 S- 0 0 67 4,-0.6 -1,-0.3 -3,-0.0 6,-0.0 0.099 115.9-116.1-103.5 17.4 12.7 -18.4 47.2 54 54 A G S < S+ 0 0 48 -3,-0.7 -2,-0.1 3,-0.3 -5,-0.1 0.700 101.6 64.0 56.5 22.6 12.5 -19.9 43.7 55 55 A L S S- 0 0 85 2,-0.2 122,-2.3 121,-0.1 -1,-0.1 0.559 121.7 -34.0-137.8 -43.1 8.8 -19.2 43.5 56 56 A A S S+ 0 0 15 120,-0.2 389,-0.1 1,-0.2 -6,-0.0 0.451 95.5 102.0-163.9 -11.6 8.0 -15.5 43.5 57 57 A L - 0 0 45 1,-0.1 -5,-3.4 388,-0.0 -4,-0.6 -0.781 66.1-127.2 -90.7 126.7 10.3 -13.3 45.6 58 58 A P > - 0 0 0 0, 0.0 3,-1.3 0, 0.0 2,-0.9 -0.075 27.7 -90.5 -66.1 166.1 12.9 -11.4 43.6 59 59 A F T 3 S+ 0 0 30 383,-0.3 383,-0.1 -9,-0.3 8,-0.1 -0.707 117.3 30.5 -81.5 108.4 16.7 -11.3 44.1 60 60 A G T 3 S+ 0 0 25 -2,-0.9 -1,-0.2 2,-0.1 3,-0.2 0.199 88.3 104.1 127.2 -9.2 17.3 -8.4 46.4 61 61 A W S < S+ 0 0 37 -3,-1.3 2,-0.7 1,-0.2 -2,-0.1 0.891 82.2 44.7 -68.0 -43.1 14.0 -8.6 48.3 62 62 A T S > S- 0 0 31 -4,-0.4 3,-2.4 1,-0.2 -1,-0.2 -0.863 79.0-154.1-108.9 99.3 15.6 -10.2 51.4 63 63 A Q T 3 S+ 0 0 116 -2,-0.7 -1,-0.2 1,-0.3 9,-0.1 0.817 88.6 53.0 -33.1 -67.7 18.8 -8.3 52.2 64 64 A R T 3 S+ 0 0 197 7,-0.1 2,-0.4 2,-0.0 -1,-0.3 0.536 92.5 90.9 -53.9 -10.5 20.7 -11.1 54.1 65 65 A K < - 0 0 84 -3,-2.4 2,-0.1 1,-0.0 -3,-0.1 -0.760 64.4-155.7 -95.1 132.6 20.2 -13.6 51.1 66 66 A T - 0 0 65 -2,-0.4 2,-0.5 5,-0.1 5,-0.2 -0.418 16.0-128.7-100.9 175.4 22.9 -13.7 48.4 67 67 A R B > S-C 70 0C 8 3,-3.1 3,-2.1 -2,-0.1 422,-0.0 -0.998 93.7 -20.8-120.8 117.4 23.0 -14.7 44.8 68 68 A N T 3 S- 0 0 112 -2,-0.5 3,-0.1 1,-0.3 420,-0.1 0.731 132.2 -48.6 54.7 21.5 25.9 -17.1 44.2 69 69 A G T 3 S+ 0 0 50 1,-0.3 -1,-0.3 0, 0.0 2,-0.2 0.036 121.8 85.1 109.1 -27.0 27.5 -15.9 47.4 70 70 A F B < S-C 67 0C 90 -3,-2.1 -3,-3.1 414,-0.1 2,-0.5 -0.647 77.3-107.2-110.3 166.9 27.3 -12.1 46.9 71 71 A R - 0 0 155 -5,-0.2 -5,-0.1 -2,-0.2 -7,-0.1 -0.796 35.0-118.9 -93.8 124.4 24.7 -9.3 47.5 72 72 A V - 0 0 22 -2,-0.5 412,-0.1 -9,-0.1 2,-0.1 -0.415 36.0-117.4 -61.5 130.9 23.0 -7.9 44.4 73 73 A P - 0 0 13 0, 0.0 -1,-0.1 0, 0.0 5,-0.1 -0.399 37.1 -86.9 -71.4 147.3 23.9 -4.2 44.2 74 74 A L >> - 0 0 70 1,-0.1 4,-1.9 -2,-0.1 3,-0.8 -0.245 32.7-128.7 -53.3 135.1 21.1 -1.6 44.5 75 75 A A H 3> S+ 0 0 1 1,-0.3 4,-2.3 2,-0.2 3,-0.5 0.944 109.3 52.7 -51.6 -52.2 19.6 -0.9 41.1 76 76 A R H 3> S+ 0 0 3 67,-0.4 4,-2.4 1,-0.2 -1,-0.3 0.792 106.1 53.6 -57.1 -29.2 20.1 2.8 41.7 77 77 A E H <> S+ 0 0 51 -3,-0.8 4,-2.2 2,-0.2 5,-0.3 0.867 107.0 50.0 -75.7 -34.7 23.7 2.4 42.5 78 78 A V H X>S+ 0 0 0 -4,-1.9 4,-2.7 -3,-0.5 5,-1.1 0.938 111.3 52.9 -64.2 -42.1 24.4 0.5 39.3 79 79 A S H X>S+ 0 0 0 -4,-2.3 5,-1.4 -5,-0.2 4,-0.5 0.943 110.6 44.6 -55.8 -53.9 22.6 3.4 37.6 80 80 A N H <5S+ 0 0 48 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.910 121.1 36.1 -59.3 -47.9 24.7 6.1 39.2 81 81 A K H <5S+ 0 0 108 -4,-2.2 -2,-0.2 -5,-0.1 -1,-0.2 0.813 132.4 18.6 -82.2 -34.0 28.1 4.5 38.7 82 82 A I H <5S+ 0 0 11 -4,-2.7 330,-0.3 -5,-0.3 -3,-0.2 0.870 123.5 41.8-107.4 -44.5 27.8 2.8 35.4 83 83 A V T < + 0 0 58 -2,-0.6 3,-0.5 -3,-0.1 2,-0.4 0.219 51.0 108.8 -90.7 14.9 25.5 15.5 26.2 89 89 A E T 3 S+ 0 0 154 1,-0.2 -2,-0.1 2,-0.1 -3,-0.0 -0.751 78.7 9.3-100.2 141.4 27.9 16.4 23.4 90 90 A G T 3 S+ 0 0 72 -2,-0.4 -1,-0.2 1,-0.1 -2,-0.0 0.795 94.9 114.1 67.9 28.9 29.1 14.2 20.6 91 91 A V < + 0 0 2 -3,-0.5 315,-2.3 2,-0.1 2,-0.2 0.371 41.0 110.4-111.9 4.0 26.6 11.6 21.7 92 92 A L E S-D 405 0D 82 313,-0.2 2,-1.0 -4,-0.1 313,-0.3 -0.540 73.7-115.0 -85.4 145.9 24.3 11.5 18.7 93 93 A D E > -D 404 0D 1 311,-3.5 3,-1.4 -2,-0.2 311,-0.5 -0.689 23.9-155.2 -80.3 102.9 24.1 8.6 16.2 94 94 A Q E 3 S+ 0 0 138 -2,-1.0 -1,-0.2 1,-0.3 475,-0.1 0.672 87.1 39.9 -52.5 -24.4 25.4 10.0 13.0 95 95 A N E 3 S+ 0 0 63 473,-0.1 2,-0.3 2,-0.0 -1,-0.3 -0.131 102.3 71.4-125.1 43.5 23.5 7.5 10.8 96 96 A R E < - 0 0 10 -3,-1.4 308,-1.7 472,-0.3 472,-0.2 -0.971 66.6-136.7-153.6 137.0 20.1 7.1 12.5 97 97 A S E >> -D 403 0D 0 470,-2.2 3,-1.8 -2,-0.3 4,-0.7 -0.497 33.4-104.3 -91.8 164.6 17.1 9.5 12.7 98 98 A L H 3> S+ 0 0 7 304,-1.4 4,-1.8 300,-0.3 302,-0.2 0.741 120.7 67.2 -59.6 -21.2 14.9 10.2 15.7 99 99 A L H 3> S+ 0 0 3 300,-1.3 4,-3.0 467,-0.3 5,-0.3 0.792 87.6 67.5 -68.4 -28.4 12.3 8.0 14.0 100 100 A F H <> S+ 0 0 0 -3,-1.8 4,-1.3 467,-0.3 -1,-0.2 0.944 107.0 37.7 -56.4 -52.1 14.6 5.0 14.4 101 101 A M H X S+ 0 0 18 -4,-0.7 4,-1.5 1,-0.2 -1,-0.2 0.919 116.7 55.6 -66.7 -40.4 14.1 5.1 18.2 102 102 A Q H X S+ 0 0 1 -4,-1.8 4,-1.3 1,-0.2 -2,-0.2 0.827 104.9 48.6 -62.9 -37.1 10.5 6.1 17.7 103 103 A W H X S+ 0 0 4 -4,-3.0 4,-2.6 1,-0.2 -1,-0.2 0.850 105.4 60.0 -72.9 -34.2 9.5 3.1 15.5 104 104 A G H X S+ 0 0 6 -4,-1.3 4,-2.6 -5,-0.3 5,-0.3 0.919 103.4 50.9 -58.4 -43.2 11.1 0.7 17.9 105 105 A Q H X S+ 0 0 38 -4,-1.5 4,-2.6 2,-0.2 -1,-0.2 0.906 108.5 52.7 -63.6 -38.6 8.8 1.9 20.7 106 106 A I H X S+ 0 0 0 -4,-1.3 4,-1.8 2,-0.2 -2,-0.2 0.996 112.5 43.5 -58.1 -61.2 5.8 1.4 18.4 107 107 A V H >X S+ 0 0 0 -4,-2.6 4,-2.5 2,-0.2 3,-1.7 0.932 114.5 48.3 -44.7 -67.5 6.9 -2.2 17.7 108 108 A D H 3X S+ 0 0 26 -4,-2.6 4,-2.7 1,-0.3 -1,-0.2 0.867 114.5 49.2 -41.3 -47.0 7.8 -3.1 21.5 109 109 A H H 3< S+ 0 0 19 -4,-2.6 -1,-0.3 -5,-0.3 -2,-0.2 0.758 110.0 50.1 -69.0 -25.7 4.4 -1.6 22.5 110 110 A D H << S+ 0 0 0 -4,-1.8 -2,-0.2 -3,-1.7 -1,-0.2 0.902 117.0 41.1 -78.3 -39.6 2.6 -3.6 19.8 111 111 A L H < S+ 0 0 0 -4,-2.5 2,-0.3 -5,-0.2 228,-0.2 0.899 118.1 15.9 -79.5 -44.3 4.2 -6.8 21.0 112 112 A D < + 0 0 8 -4,-2.7 2,-0.2 -5,-0.2 -1,-0.1 -0.939 44.4 169.4-137.7 159.5 4.3 -6.8 24.8 113 113 A F - 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0 0 0 -2,-0.2 4,-0.2 -74,-0.2 -146,-0.2 -0.617 23.2-139.3 -86.8 143.3 -1.4 -9.8 21.6 185 185 A S S S+ 0 0 9 -148,-1.8 2,-0.4 -2,-0.3 -147,-0.1 0.415 76.0 92.3 -79.2 0.2 2.0 -11.3 20.5 186 186 A F S S- 0 0 0 -149,-0.3 2,-2.9 -76,-0.1 4,-0.3 -0.822 88.0-116.1 -98.8 135.7 1.3 -10.9 16.7 187 187 A L + 0 0 1 -2,-0.4 118,-0.2 1,-0.2 -2,-0.1 -0.415 69.7 135.6 -66.5 76.7 2.5 -7.8 14.9 188 188 A D S S- 0 0 8 -2,-2.9 -1,-0.2 -4,-0.2 113,-0.1 0.170 78.3-103.1-114.8 16.7 -1.1 -6.9 14.2 189 189 A A >> + 0 0 0 112,-0.2 3,-1.4 1,-0.1 4,-1.2 0.914 63.3 158.5 62.5 42.2 -1.2 -3.2 15.0 190 190 A S H 3> + 0 0 6 -4,-0.3 4,-1.4 1,-0.3 -1,-0.1 0.674 62.3 70.9 -71.3 -16.6 -2.9 -4.0 18.3 191 191 A L H 34 S+ 0 0 2 1,-0.2 62,-0.7 2,-0.2 -1,-0.3 0.683 103.2 44.3 -73.6 -13.8 -1.8 -0.7 19.6 192 192 A V H <4 S+ 0 0 8 -3,-1.4 60,-0.9 60,-0.3 -2,-0.2 0.818 121.6 31.4 -97.3 -38.5 -4.3 0.9 17.3 193 193 A Y H < S- 0 0 1 -4,-1.2 -2,-0.2 1,-0.3 10,-0.2 0.462 104.1-117.2-103.9 0.1 -7.4 -1.2 17.7 194 194 A G < - 0 0 2 -4,-1.4 -1,-0.3 -5,-0.1 -2,-0.1 -0.187 12.8-114.0 87.3 172.2 -7.2 -2.4 21.3 195 195 A S S S+ 0 0 11 57,-0.2 -156,-0.2 -13,-0.1 -1,-0.1 0.462 91.1 68.5-121.9 -12.3 -6.8 -6.0 22.5 196 196 A E S > S- 0 0 76 1,-0.1 4,-2.5 -3,-0.1 5,-0.2 -0.842 81.6-126.2-108.5 147.2 -10.2 -6.4 24.3 197 197 A P H > S+ 0 0 80 0, 0.0 4,-1.5 0, 0.0 5,-0.1 0.904 109.4 54.3 -60.5 -35.8 -13.5 -6.6 22.5 198 198 A S H >> S+ 0 0 87 2,-0.2 4,-1.6 1,-0.2 3,-0.6 0.972 112.3 38.2 -62.5 -58.1 -14.8 -3.8 24.8 199 199 A L H >> S+ 0 0 13 1,-0.2 4,-2.0 2,-0.2 3,-0.7 0.961 111.4 62.0 -57.8 -47.9 -12.1 -1.2 24.2 200 200 A A H 3< S+ 0 0 5 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.819 107.6 44.1 -45.3 -38.4 -12.0 -2.2 20.5 201 201 A S H X< S+ 0 0 58 -4,-1.5 3,-0.8 -3,-0.6 -1,-0.3 0.790 106.7 56.0 -81.7 -30.0 -15.6 -1.1 20.2 202 202 A R H << S+ 0 0 135 -4,-1.6 -2,-0.2 -3,-0.7 -1,-0.2 0.822 102.9 59.5 -70.8 -28.6 -15.4 2.2 22.1 203 203 A L T 3< S+ 0 0 9 -4,-2.0 11,-2.6 -5,-0.2 -1,-0.2 0.653 96.1 86.6 -72.9 -15.6 -12.6 3.2 19.7 204 204 A R B < S-J 213 0I 39 -3,-0.8 2,-0.4 9,-0.3 9,-0.2 -0.546 76.8-130.3 -92.9 150.8 -15.1 2.7 16.7 205 205 A N + 0 0 47 7,-2.4 6,-0.1 -2,-0.2 9,-0.1 -0.722 32.9 168.6 -77.6 144.9 -17.5 5.1 15.2 206 206 A L + 0 0 109 -2,-0.4 -1,-0.1 -4,-0.1 7,-0.1 0.069 58.8 79.5-146.8 26.9 -20.7 3.0 15.1 207 207 A S S S+ 0 0 116 1,-0.3 -2,-0.0 0, 0.0 -3,-0.0 0.773 96.0 43.3 -98.4 -39.3 -23.1 5.8 14.2 208 208 A S S > S- 0 0 36 4,-0.1 2,-1.6 1,-0.0 3,-1.0 -0.906 79.3-134.1-110.9 134.2 -22.2 5.8 10.5 209 209 A P T 3 S+ 0 0 91 0, 0.0 83,-0.1 0, 0.0 -3,-0.0 -0.133 81.3 104.0 -78.0 44.2 -21.7 2.5 8.5 210 210 A L T 3 S- 0 0 69 -2,-1.6 71,-0.1 2,-0.1 -4,-0.0 0.600 87.6-125.6 -97.4 -15.9 -18.5 4.0 7.0 211 211 A G < + 0 0 3 -3,-1.0 85,-0.1 1,-0.2 67,-0.1 0.621 54.9 154.0 80.8 15.4 -16.3 1.8 9.2 212 212 A L - 0 0 16 -4,-0.3 -7,-2.4 1,-0.1 2,-0.2 -0.315 45.8-118.1 -77.2 158.1 -14.4 4.7 10.6 213 213 A M B -J 204 0I 5 -9,-0.2 2,-0.3 57,-0.2 -9,-0.3 -0.618 43.7 -94.9 -88.5 152.9 -12.6 5.0 13.9 214 214 A A - 0 0 27 -11,-2.6 2,-0.3 -2,-0.2 -1,-0.1 -0.548 44.7-165.1 -75.6 132.7 -13.8 7.6 16.2 215 215 A V - 0 0 20 -2,-0.3 12,-0.2 12,-0.1 14,-0.0 -0.798 30.1 -81.0-114.8 161.2 -12.0 10.9 16.1 216 216 A N - 0 0 9 10,-1.9 10,-0.2 -2,-0.3 -1,-0.1 -0.163 31.9-171.0 -59.1 146.2 -11.9 13.9 18.4 217 217 A Q S S+ 0 0 132 8,-0.1 -1,-0.1 3,-0.0 3,-0.1 0.731 76.7 62.1-110.1 -33.1 -14.7 16.5 18.2 218 218 A E S S+ 0 0 160 1,-0.1 2,-0.3 2,-0.0 -2,-0.0 0.708 112.7 24.0 -67.4 -22.1 -13.5 19.3 20.4 219 219 A A - 0 0 24 7,-0.0 2,-0.2 2,-0.0 7,-0.2 -0.999 61.4-163.5-152.3 150.3 -10.4 20.0 18.3 220 220 A W - 0 0 135 -2,-0.3 2,-0.4 167,-0.1 5,-0.2 -0.782 19.6-138.7-126.1 163.2 -8.9 19.7 14.8 221 221 A D B > S-K 224 0J 7 3,-2.2 3,-1.3 -2,-0.2 171,-0.0 -0.752 84.8 -48.2-126.1 82.2 -5.6 19.8 13.0 222 222 A H T 3 S- 0 0 137 -2,-0.4 3,-0.1 1,-0.3 169,-0.0 0.908 117.0 -44.1 57.1 46.6 -6.2 21.7 9.7 223 223 A G T 3 S+ 0 0 57 1,-0.3 -1,-0.3 0, 0.0 2,-0.2 0.441 118.9 120.8 80.1 -2.1 -9.2 19.6 9.0 224 224 A L B < -K 221 0J 43 -3,-1.3 -3,-2.2 1,-0.1 -1,-0.3 -0.648 66.1-100.0 -96.3 155.1 -7.3 16.5 10.0 225 225 A A - 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0 0 52 -5,-4.0 -1,-0.2 -8,-0.2 -2,-0.1 -0.801 60.9 -82.0-115.3 158.8 28.6 -17.4 23.6 459 459 A S - 0 0 76 -2,-0.3 -1,-0.1 1,-0.1 -5,-0.0 -0.278 39.3-138.6 -59.3 141.3 31.6 -17.4 25.9 460 460 A Q - 0 0 105 -7,-0.0 2,-0.2 -6,-0.0 -1,-0.1 -0.891 14.1-142.2-110.3 105.7 30.8 -17.0 29.6 461 461 A P + 0 0 8 0, 0.0 3,-0.1 0, 0.0 -11,-0.1 -0.420 26.6 169.2 -66.9 131.7 33.3 -14.7 31.5 462 462 A K + 0 0 115 -2,-0.2 2,-0.3 25,-0.1 26,-0.1 0.511 61.0 56.4-116.7 -15.1 34.3 -15.7 35.1 463 463 A T S > S- 0 0 79 1,-0.1 4,-2.8 23,-0.1 5,-0.3 -0.850 80.3-119.3-123.9 157.0 37.1 -13.3 35.7 464 464 A L H > S+ 0 0 61 -2,-0.3 4,-2.2 1,-0.3 5,-0.2 0.950 120.6 50.0 -52.4 -52.3 37.7 -9.5 35.6 465 465 A K H > S+ 0 0 145 1,-0.2 4,-1.2 2,-0.2 -1,-0.3 0.811 111.4 50.7 -57.4 -31.2 40.3 -10.1 32.9 466 466 A G H > S+ 0 0 21 -3,-0.3 4,-1.8 2,-0.2 -2,-0.2 0.912 108.5 48.9 -74.5 -42.1 37.7 -12.2 31.1 467 467 A L H X S+ 0 0 0 -4,-2.8 4,-2.1 1,-0.2 5,-0.2 0.805 104.3 62.0 -67.1 -29.4 35.0 -9.5 31.3 468 468 A Q H X>S+ 0 0 35 -4,-2.2 5,-1.8 -5,-0.3 4,-0.9 0.952 106.2 46.3 -59.6 -48.5 37.5 -7.0 30.0 469 469 A T H <5S+ 0 0 100 -4,-1.2 -2,-0.2 3,-0.2 3,-0.2 0.927 111.5 47.5 -60.9 -51.5 37.8 -9.0 26.8 470 470 A V H <5S+ 0 0 25 -4,-1.8 -1,-0.2 1,-0.3 -2,-0.2 0.911 123.1 34.9 -59.7 -43.6 34.1 -9.6 26.1 471 471 A L H <5S- 0 0 1 -4,-2.1 -1,-0.3 2,-0.2 -2,-0.2 0.551 101.4-139.1 -85.7 -7.5 33.2 -6.0 26.7 472 472 A K T <5 + 0 0 172 -4,-0.9 2,-0.3 -5,-0.2 -3,-0.2 0.934 69.9 100.1 46.0 54.4 36.5 -4.9 25.1 473 473 A N >< - 0 0 31 -5,-1.8 4,-1.0 -6,-0.2 -2,-0.2 -0.883 54.8-163.3-167.5 128.6 36.8 -2.3 27.9 474 474 A K H > S+ 0 0 143 -2,-0.3 4,-2.2 2,-0.2 5,-0.2 0.963 89.3 47.7 -82.4 -58.7 38.8 -2.1 31.1 475 475 A I H >> S+ 0 0 93 1,-0.2 4,-2.5 2,-0.2 3,-0.5 0.933 117.2 45.6 -47.2 -54.9 37.2 0.7 33.2 476 476 A L H 3> S+ 0 0 10 1,-0.3 4,-2.8 2,-0.2 -1,-0.2 0.913 111.2 51.5 -55.2 -49.3 33.7 -0.7 32.4 477 477 A A H 3X S+ 0 0 0 -4,-1.0 4,-1.1 1,-0.2 -1,-0.3 0.791 112.4 48.3 -59.4 -29.6 34.7 -4.3 33.2 478 478 A K H S- 0 0 17 -6,-0.3 3,-2.6 1,-0.1 4,-0.2 -0.537 75.8-129.5 173.4 130.7 30.8 -12.1 39.5 487 487 A P G > S+ 0 0 0 0, 0.0 3,-1.2 0, 0.0 -37,-0.4 0.743 105.8 75.8 -57.0 -19.9 29.8 -11.9 35.9 488 488 A D G 3 S+ 0 0 37 1,-0.2 -37,-0.2 -39,-0.2 -40,-0.2 0.593 96.7 47.4 -65.1 -13.1 27.2 -14.5 36.9 489 489 A N G < S+ 0 0 1 -3,-2.6 2,-0.4 -41,-0.2 -1,-0.2 0.347 72.8 124.9-114.1 5.2 25.2 -11.7 38.5 490 490 A I < - 0 0 1 -3,-1.2 -41,-1.3 -4,-0.2 2,-0.1 -0.536 69.3-116.5 -67.5 121.6 25.2 -9.0 35.8 491 491 A D > - 0 0 6 -2,-0.4 4,-3.3 -43,-0.2 5,-0.2 -0.415 23.6-120.4 -60.9 132.1 21.5 -8.1 35.2 492 492 A I H > S+ 0 0 3 -45,-0.4 4,-3.7 3,-0.2 5,-0.3 0.752 107.3 56.3 -46.2 -32.6 20.8 -9.0 31.6 493 493 A W H > S+ 0 0 3 2,-0.2 4,-2.6 3,-0.2 -1,-0.2 0.998 116.9 29.0 -66.7 -67.7 19.8 -5.5 30.8 494 494 A I H 4 S+ 0 0 0 1,-0.2 -2,-0.2 2,-0.2 -1,-0.2 0.850 125.2 55.0 -62.4 -31.0 22.9 -3.5 31.8 495 495 A G H >X S+ 0 0 1 -4,-3.3 3,-1.5 2,-0.2 4,-0.6 0.983 110.6 40.1 -65.3 -58.0 24.7 -6.7 30.9 496 496 A G H >< S+ 0 0 1 -4,-3.7 3,-0.7 1,-0.3 12,-0.3 0.855 113.7 54.9 -60.1 -37.3 23.4 -7.1 27.4 497 497 A N T 3< S+ 0 0 12 -4,-2.6 -1,-0.3 -5,-0.3 -2,-0.2 0.397 99.0 64.5 -79.0 4.1 23.6 -3.3 26.7 498 498 A A T <4 S+ 0 0 1 -3,-1.5 -1,-0.2 -4,-0.2 -2,-0.2 0.693 75.7 95.8 -99.8 -20.5 27.3 -3.3 27.7 499 499 A E S << S- 0 0 5 -3,-0.7 -28,-0.2 -4,-0.6 9,-0.1 -0.422 87.2-100.1 -69.1 144.2 28.7 -5.5 24.9 500 500 A P - 0 0 42 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 -0.249 47.6 -87.7 -64.0 155.2 30.1 -3.5 22.0 501 501 A M - 0 0 56 7,-0.2 7,-0.3 -94,-0.1 2,-0.2 -0.261 38.0-120.2 -67.0 149.6 28.0 -3.1 18.8 502 502 A V > - 0 0 22 5,-2.0 3,-2.3 1,-0.2 5,-0.1 -0.480 50.2 -67.1 -85.4 159.2 28.0 -5.6 16.0 503 503 A E T 3 S- 0 0 149 1,-0.3 -184,-2.5 -2,-0.2 -183,-0.3 -0.170 115.8 -13.1 -49.3 127.2 28.9 -4.7 12.4 504 504 A R T 3 S+ 0 0 192 -186,-0.2 -186,-0.3 1,-0.2 -1,-0.3 0.587 117.7 97.9 51.5 18.8 26.3 -2.4 11.0 505 505 A G S < S- 0 0 0 -3,-2.3 -188,-0.2 -188,-0.2 -1,-0.2 -0.149 71.6-133.0-109.2-152.5 23.8 -3.1 13.8 506 506 A R S S+ 0 0 51 -190,-2.1 2,-0.3 1,-0.1 -99,-0.2 0.176 84.9 52.6-151.7 13.6 23.0 -1.1 16.9 507 507 A V S S- 0 0 8 -191,-0.6 -5,-2.0 -5,-0.1 -2,-0.1 -0.897 79.4-118.0-143.3 166.3 23.1 -3.9 19.5 508 508 A G >> - 0 0 3 -12,-0.3 4,-2.8 -2,-0.3 3,-1.0 -0.355 41.7 -70.4-104.7-173.7 25.6 -6.6 20.3 509 509 A P H 3> S+ 0 0 41 0, 0.0 4,-1.1 0, 0.0 5,-0.1 0.769 125.5 44.3 -41.9 -46.8 26.0 -10.4 20.3 510 510 A L H 3> S+ 0 0 0 -14,-0.2 4,-0.8 2,-0.2 -14,-0.1 0.714 118.2 41.2 -81.0 -21.9 23.7 -11.1 23.2 511 511 A L H <> S+ 0 0 4 -3,-1.0 4,-3.1 -15,-0.3 5,-0.4 0.829 110.8 56.1 -89.9 -38.5 20.8 -8.8 22.2 512 512 A A H X S+ 0 0 0 -4,-2.8 4,-2.1 1,-0.2 -2,-0.2 0.855 109.3 49.2 -59.0 -35.9 21.0 -9.6 18.5 513 513 A f H X S+ 0 0 0 -4,-1.1 4,-1.8 -5,-0.3 -1,-0.2 0.886 114.1 43.6 -71.0 -41.5 20.5 -13.3 19.5 514 514 A L H X S+ 0 0 0 -4,-0.8 4,-1.3 2,-0.2 -2,-0.2 0.859 120.1 40.1 -74.3 -38.5 17.5 -12.6 21.8 515 515 A L H X S+ 0 0 2 -4,-3.1 4,-2.5 2,-0.2 5,-0.3 0.934 113.2 57.1 -75.2 -45.9 15.8 -10.1 19.5 516 516 A G H X S+ 0 0 1 -4,-2.1 4,-2.1 -5,-0.4 5,-0.2 0.933 108.0 44.4 -47.4 -60.9 16.6 -12.3 16.4 517 517 A R H X S+ 0 0 79 -4,-1.8 4,-2.3 1,-0.2 -1,-0.2 0.924 113.4 52.0 -51.5 -51.6 15.0 -15.4 17.7 518 518 A Q H X S+ 0 0 0 -4,-1.3 4,-2.1 1,-0.2 5,-0.2 0.947 110.4 44.6 -52.5 -58.5 11.9 -13.6 18.9 519 519 A F H X S+ 0 0 1 -4,-2.5 4,-1.4 1,-0.2 -1,-0.2 0.859 109.7 57.3 -58.7 -34.9 11.1 -11.8 15.7 520 520 A Q H X S+ 0 0 51 -4,-2.1 4,-2.9 -5,-0.3 -1,-0.2 0.952 108.5 48.8 -59.5 -46.5 11.7 -14.9 13.8 521 521 A Q H X S+ 0 0 33 -4,-2.3 4,-2.2 1,-0.2 -2,-0.2 0.915 105.8 51.9 -60.9 -49.7 9.0 -16.6 15.9 522 522 A I H < S+ 0 0 3 -4,-2.1 4,-0.3 2,-0.2 -1,-0.2 0.827 117.5 42.5 -60.5 -28.6 6.2 -14.0 15.6 523 523 A R H >< S+ 0 0 17 -4,-1.4 3,-1.4 -5,-0.2 -2,-0.2 0.958 115.4 45.7 -80.2 -55.8 6.6 -14.1 11.9 524 524 A D H 3< S+ 0 0 24 -4,-2.9 -192,-1.7 1,-0.2 -2,-0.2 0.714 118.6 45.1 -61.4 -19.9 7.0 -17.9 11.4 525 525 A G T 3< S+ 0 0 1 -4,-2.2 2,-0.7 -5,-0.2 -1,-0.2 0.426 85.7 102.3-106.5 3.3 4.1 -18.5 13.8 526 526 A D X - 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