==== 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-DEC-06 2O86 . COMPND 2 MOLECULE: LACTOPEROXIDASE; . SOURCE 2 ORGANISM_SCIENTIFIC: BUBALUS BUBALIS; . AUTHOR I.A.SHEIKH,N.SINGH,A.K.SINGH,S.SHARMA,P.KAUR,T.P.SINGH . 595 1 7 7 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 25826.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 345 58.0 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 . 42 7.1 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 3 0.5 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 . 30 5.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 79 13.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 152 25.5 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 0 0 5 3 1 0 2 0 0 1 0 1 0 0 0 0 0 1 0 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 . 11 6 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 . 6 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 0 167 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 151.1 2.3 -33.9 34.3 2 2 A W - 0 0 222 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.401 360.0-118.0-158.8 -15.4 2.5 -30.1 33.4 3 3 A E > + 0 0 155 1,-0.1 3,-0.9 2,-0.0 2,-0.4 0.211 58.1 164.4 74.6 -11.2 -0.2 -28.2 35.3 4 4 A V T 3 + 0 0 129 1,-0.2 -1,-0.1 3,-0.0 0, 0.0 0.332 45.6 72.7 -2.3 -46.9 -1.3 -27.6 31.7 5 5 A G T 3 + 0 0 64 -2,-0.4 -1,-0.2 2,-0.1 -2,-0.0 0.821 46.8 120.0 -54.3 -57.2 -4.9 -26.3 32.5 6 6 A a < + 0 0 84 -3,-0.9 161,-0.1 1,-0.2 160,-0.0 0.166 23.4 138.9 -27.3 91.3 -4.9 -22.8 34.0 7 7 A G + 0 0 45 34,-0.1 3,-0.2 3,-0.0 -1,-0.2 -0.305 36.0 124.9-129.9 37.8 -7.0 -21.1 31.3 8 8 A A + 0 0 49 1,-0.2 2,-0.1 3,-0.0 158,-0.0 0.585 56.2 28.2 -77.7-139.7 -8.8 -19.1 34.0 9 9 A P S S+ 0 0 100 0, 0.0 -1,-0.2 0, 0.0 158,-0.1 0.002 92.4 100.9 -31.3 93.4 -9.2 -15.3 34.1 10 10 A V S S- 0 0 39 -3,-0.2 2,-0.5 -2,-0.1 30,-0.1 -0.934 78.6 -93.2-170.1 149.8 -9.0 -14.4 30.4 11 11 A P - 0 0 49 0, 0.0 2,-0.3 0, 0.0 -3,-0.0 -0.671 47.4-179.7 -75.5 126.3 -11.5 -13.5 27.7 12 12 A L + 0 0 139 -2,-0.5 2,-0.2 15,-0.0 23,-0.0 -0.962 10.1 147.3-126.6 148.6 -12.6 -16.5 25.7 13 13 A V - 0 0 116 -2,-0.3 2,-0.4 0, 0.0 0, 0.0 -0.769 46.7 -56.2-149.4-159.4 -15.1 -17.0 22.7 14 14 A K - 0 0 189 -2,-0.2 2,-0.9 13,-0.0 13,-0.0 -0.748 46.2-115.8 -98.8 138.9 -15.8 -19.0 19.6 15 15 A b - 0 0 38 -2,-0.4 13,-0.1 1,-0.2 -1,-0.0 -0.589 15.4-145.4 -75.0 104.0 -13.4 -19.4 16.7 16 16 A D - 0 0 129 -2,-0.9 -1,-0.2 2,-0.1 12,-0.0 0.798 36.3-151.1 -40.7 -28.2 -15.1 -17.7 13.8 17 17 A E S S+ 0 0 131 1,-0.2 -1,-0.0 2,-0.1 11,-0.0 0.915 71.4 15.9 52.7 107.6 -13.3 -20.6 11.8 18 18 A N S S+ 0 0 137 1,-0.3 -1,-0.2 3,-0.0 -2,-0.1 0.162 88.8 143.8 83.8 -12.8 -12.4 -19.8 8.2 19 19 A S - 0 0 35 1,-0.1 -1,-0.3 2,-0.1 -2,-0.1 -0.328 50.4-140.8 -55.7 132.6 -13.0 -16.1 8.9 20 20 A P S S+ 0 0 70 0, 0.0 2,-0.4 0, 0.0 -1,-0.1 0.210 76.1 78.3 -81.9 16.5 -10.5 -14.0 6.8 21 21 A Y S S- 0 0 38 277,-0.0 -2,-0.1 276,-0.0 274,-0.1 -0.962 81.9-113.5-131.5 144.1 -9.9 -11.5 9.7 22 22 A R - 0 0 37 -2,-0.4 2,-0.3 272,-0.1 6,-0.1 -0.265 34.2-114.6 -65.1 156.3 -7.9 -11.6 12.8 23 23 A T > - 0 0 38 4,-0.6 3,-0.5 1,-0.1 -1,-0.1 -0.641 23.3-118.1 -86.3 157.8 -9.8 -11.6 16.1 24 24 A I T 3 S+ 0 0 29 -2,-0.3 160,-0.2 1,-0.2 -1,-0.1 0.873 113.1 44.1 -57.4 -41.4 -9.2 -8.6 18.3 25 25 A T T 3 S- 0 0 8 13,-0.1 14,-2.4 158,-0.1 -1,-0.2 0.531 112.4-113.4 -84.8 -11.6 -7.7 -10.7 21.2 26 26 A G S X S+ 0 0 5 -3,-0.5 3,-0.7 1,-0.3 12,-0.1 0.339 70.6 139.4 93.3 -8.8 -5.5 -12.8 18.9 27 27 A D T 3 + 0 0 14 1,-0.2 -4,-0.6 2,-0.1 -1,-0.3 -0.159 57.2 33.4 -57.8 160.3 -7.4 -16.0 19.7 28 28 A b T 3 S+ 0 0 14 6,-2.1 -1,-0.2 2,-0.2 3,-0.1 0.680 81.4 113.2 68.6 19.3 -8.1 -18.4 16.9 29 29 A N S < S+ 0 0 4 -3,-0.7 2,-0.6 5,-0.5 -2,-0.1 0.956 77.4 43.5 -83.6 -56.2 -4.9 -17.7 15.0 30 30 A N S S- 0 0 4 6,-0.4 -1,-0.3 3,-0.3 -2,-0.2 -0.825 80.5-158.6 -86.0 116.5 -3.3 -21.2 15.6 31 31 A R S S+ 0 0 124 -2,-0.6 -1,-0.2 1,-0.2 -3,-0.1 0.915 86.3 47.0 -69.0 -49.4 -6.2 -23.6 14.9 32 32 A R S S+ 0 0 193 1,-0.3 -1,-0.2 301,-0.1 -2,-0.0 0.765 128.5 28.6 -65.9 -22.1 -5.0 -26.7 16.7 33 33 A S S > S- 0 0 60 1,-0.1 3,-1.6 3,-0.1 -3,-0.3 -0.584 77.4-172.2-141.5 79.4 -4.2 -24.5 19.7 34 34 A P T 3 S+ 0 0 63 0, 0.0 -6,-2.1 0, 0.0 -5,-0.5 0.422 73.5 53.5 -62.0 -10.1 -6.5 -21.5 19.8 35 35 A A T > S+ 0 0 34 -8,-0.2 3,-1.7 -7,-0.1 2,-0.5 0.448 71.6 121.0-111.7 1.2 -5.0 -19.3 22.6 36 36 A L T < S+ 0 0 36 -3,-1.6 -6,-0.4 1,-0.2 -7,-0.2 -0.488 84.2 13.8 -56.9 115.4 -1.4 -19.1 21.4 37 37 A G T 3 S+ 0 0 1 -2,-0.5 148,-2.0 1,-0.3 149,-0.5 0.477 94.7 143.5 101.0 3.7 -0.6 -15.5 20.9 38 38 A A < - 0 0 6 -3,-1.7 3,-0.4 146,-0.2 -1,-0.3 -0.515 54.5-107.0 -91.2 146.5 -3.5 -14.0 22.7 39 39 A A S S+ 0 0 1 -14,-2.4 143,-0.2 1,-0.2 145,-0.1 -0.275 98.8 33.6 -57.9 150.2 -3.8 -11.0 24.8 40 40 A N S S+ 0 0 34 141,-2.4 2,-0.3 1,-0.3 -1,-0.2 0.803 91.4 106.3 63.8 43.4 -4.2 -11.6 28.6 41 41 A R E S-A 181 0A 49 140,-1.0 140,-2.3 -3,-0.4 -1,-0.3 -0.883 77.4 -72.2-136.3 169.1 -2.2 -14.8 29.0 42 42 A A E -A 180 0A 30 -2,-0.3 138,-0.2 138,-0.2 137,-0.1 -0.258 47.8-105.1 -66.8 149.1 1.2 -15.3 30.5 43 43 A L - 0 0 7 136,-2.4 297,-0.2 1,-0.1 -1,-0.1 -0.426 48.1-106.5 -58.6 141.5 4.4 -14.2 28.9 44 44 A A B -b 340 0B 2 295,-2.4 297,-2.4 -3,-0.1 2,-0.5 -0.342 28.1-135.2 -67.0 159.9 6.1 -17.4 27.5 45 45 A R + 0 0 51 295,-0.2 295,-0.1 1,-0.1 -1,-0.0 -0.948 24.5 177.0-122.1 110.1 9.1 -18.7 29.4 46 46 A W S S+ 0 0 52 -2,-0.5 -1,-0.1 1,-0.2 294,-0.0 0.787 81.9 23.1 -77.4 -27.6 12.1 -19.7 27.3 47 47 A L S S- 0 0 49 400,-0.0 -1,-0.2 3,-0.0 3,-0.1 -0.962 101.6 -90.4-135.1 149.7 14.1 -20.5 30.5 48 48 A P - 0 0 98 0, 0.0 -2,-0.0 0, 0.0 397,-0.0 -0.315 52.3 -98.0 -66.4 147.8 12.8 -21.3 34.0 49 49 A A - 0 0 23 397,-0.1 2,-0.6 1,-0.1 397,-0.2 -0.265 26.5-145.4 -66.8 147.4 12.2 -18.4 36.3 50 50 A E + 0 0 75 395,-1.7 9,-0.3 -3,-0.1 2,-0.3 -0.899 30.0 163.5-117.9 99.2 14.8 -17.5 38.8 51 51 A Y > - 0 0 8 -2,-0.6 3,-1.3 3,-0.3 392,-0.1 -0.760 47.2-114.5-108.7 156.7 13.2 -16.1 42.0 52 52 A E T 3 S+ 0 0 22 5,-3.2 -1,-0.1 -2,-0.3 7,-0.1 0.873 117.9 31.7 -56.5 -41.9 14.7 -15.7 45.5 53 53 A D T 3 S- 0 0 65 4,-0.6 2,-1.6 -3,-0.0 -1,-0.3 -0.041 116.0-111.0-113.0 29.4 12.4 -18.3 47.1 54 54 A G S < S+ 0 0 50 -3,-1.3 -3,-0.3 3,-0.2 -2,-0.1 -0.114 105.4 55.9 75.7 -36.7 12.2 -20.3 44.0 55 55 A L S S- 0 0 75 -2,-1.6 122,-1.8 121,-0.1 -1,-0.2 0.726 123.4 -33.0-104.9 -31.1 8.5 -19.4 43.5 56 56 A A S S+ 0 0 15 120,-0.2 389,-0.1 1,-0.2 -2,-0.1 0.467 90.0 107.2-170.3 -19.2 7.8 -15.7 43.4 57 57 A L - 0 0 47 1,-0.1 -5,-3.2 388,-0.0 -4,-0.6 -0.672 63.4-127.5 -87.2 130.3 10.0 -13.4 45.5 58 58 A P > - 0 0 0 0, 0.0 3,-1.4 0, 0.0 4,-0.4 -0.319 28.2 -92.4 -77.4 161.4 12.4 -11.3 43.5 59 59 A F T 3 S+ 0 0 28 383,-0.4 386,-0.1 -9,-0.3 7,-0.1 -0.511 114.5 35.4 -69.9 133.3 16.2 -11.1 44.1 60 60 A G T 3 S+ 0 0 28 5,-0.3 -1,-0.2 2,-0.3 7,-0.0 0.058 92.0 100.6 108.1 -21.6 16.9 -8.2 46.4 61 61 A W S < S+ 0 0 37 -3,-1.4 2,-0.9 1,-0.2 -2,-0.1 0.965 74.7 49.6 -63.8 -63.9 13.7 -8.6 48.4 62 62 A T S > S- 0 0 32 -4,-0.4 3,-1.8 1,-0.1 2,-0.6 -0.744 86.0-142.9 -81.5 111.9 14.9 -10.4 51.5 63 63 A Q T 3 S+ 0 0 111 -2,-0.9 -1,-0.1 1,-0.3 -2,-0.1 0.303 91.8 42.8 -63.9 14.6 17.8 -8.2 52.5 64 64 A R T 3 S+ 0 0 196 -2,-0.6 2,-0.5 2,-0.1 -1,-0.3 0.348 87.1 93.1-143.9 -3.3 20.0 -11.1 53.7 65 65 A K < - 0 0 77 -3,-1.8 -5,-0.3 5,-0.0 2,-0.1 -0.876 65.9-145.8 -96.2 132.1 19.6 -13.9 51.0 66 66 A T - 0 0 67 -2,-0.5 2,-0.5 5,-0.1 5,-0.2 -0.428 11.7-130.8 -91.2 169.1 22.2 -13.7 48.4 67 67 A R B > S-C 70 0C 9 3,-3.4 3,-1.0 -2,-0.1 422,-0.1 -0.988 98.0 -14.3-113.7 112.1 22.1 -14.5 44.7 68 68 A N T 3 S- 0 0 102 -2,-0.5 3,-0.1 1,-0.2 -1,-0.1 0.790 131.7 -51.5 65.0 28.7 25.1 -16.8 44.2 69 69 A G T 3 S+ 0 0 51 1,-0.3 2,-0.3 0, 0.0 -1,-0.2 0.527 122.7 92.3 88.5 4.8 26.7 -15.9 47.5 70 70 A F B < S-C 67 0C 82 -3,-1.0 -3,-3.4 414,-0.0 2,-0.5 -0.943 77.6-113.8-135.5 152.4 26.4 -12.2 46.9 71 71 A R - 0 0 168 -2,-0.3 -5,-0.1 -5,-0.2 3,-0.1 -0.712 36.8-124.6 -79.2 124.7 24.0 -9.3 47.5 72 72 A V - 0 0 24 -2,-0.5 412,-0.1 1,-0.1 3,-0.1 -0.541 33.6-108.4 -68.8 137.5 22.6 -8.0 44.3 73 73 A P - 0 0 13 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 -0.245 38.4 -90.0 -63.6 152.8 23.3 -4.2 44.0 74 74 A L >> - 0 0 71 1,-0.1 4,-2.3 -3,-0.1 3,-0.5 -0.419 30.2-126.6 -64.5 133.5 20.6 -1.6 44.3 75 75 A A H 3> S+ 0 0 2 1,-0.2 4,-2.0 2,-0.2 -1,-0.1 0.907 110.2 48.9 -41.6 -51.5 18.8 -0.8 41.0 76 76 A R H 3> S+ 0 0 4 67,-0.4 4,-3.5 1,-0.2 -1,-0.2 0.821 109.4 50.7 -68.5 -31.3 19.5 3.0 41.6 77 77 A E H <> S+ 0 0 53 -3,-0.5 4,-1.9 2,-0.2 -1,-0.2 0.834 108.7 51.4 -75.2 -30.4 23.2 2.5 42.4 78 78 A V H X>S+ 0 0 0 -4,-2.3 4,-1.6 2,-0.2 5,-0.8 0.891 113.5 48.6 -68.6 -34.2 23.6 0.4 39.3 79 79 A S H X>S+ 0 0 0 -4,-2.0 4,-1.6 -5,-0.3 5,-1.2 0.996 112.2 44.8 -62.4 -63.3 22.0 3.4 37.6 80 80 A N H <5S+ 0 0 49 -4,-3.5 -2,-0.2 1,-0.2 -1,-0.2 0.826 119.2 41.9 -50.5 -40.0 24.1 6.2 39.2 81 81 A K H <5S+ 0 0 107 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.2 0.824 131.6 10.9 -81.4 -36.0 27.4 4.3 38.6 82 82 A I H <5S+ 0 0 8 -4,-1.6 -3,-0.2 -3,-0.3 -2,-0.2 0.718 124.4 46.4-116.1 -36.3 27.1 2.9 35.1 83 83 A V T < + 0 0 51 -2,-0.7 3,-1.5 2,-0.1 4,-0.3 0.714 55.8 101.5 -82.4 -17.8 24.7 15.5 25.6 89 89 A D T 3 S+ 0 0 129 1,-0.2 -2,-0.0 2,-0.1 0, 0.0 -0.472 86.2 21.2 -68.1 135.3 27.2 16.9 23.1 90 90 A G T 3 S+ 0 0 64 -2,-0.1 -1,-0.2 3,-0.0 -2,-0.1 0.181 96.2 105.6 94.0 -10.4 28.7 14.1 20.9 91 91 A V < + 0 0 3 -3,-1.5 315,-2.4 2,-0.1 -2,-0.1 0.714 43.4 111.4 -82.6 -20.7 25.8 11.7 21.6 92 92 A L E S-D 405 0D 81 -4,-0.3 2,-1.0 313,-0.2 313,-0.3 -0.225 71.5-118.0 -64.9 135.5 23.8 11.7 18.4 93 93 A D E > - 0 0 4 311,-3.2 3,-1.3 1,-0.2 311,-0.3 -0.597 22.4-152.6 -73.0 104.3 23.6 8.7 16.2 94 94 A Q E 3 S+ 0 0 144 -2,-1.0 -1,-0.2 1,-0.2 -2,-0.1 0.492 87.4 35.1 -55.1 -10.5 25.1 9.9 13.0 95 95 A N E 3 S+ 0 0 65 309,-0.1 2,-0.3 1,-0.1 -1,-0.2 0.030 102.5 74.2-139.3 32.4 23.1 7.5 10.7 96 96 A R E < - 0 0 12 -3,-1.3 308,-1.4 472,-0.3 472,-0.3 -0.975 68.4-132.3-147.2 128.9 19.7 7.0 12.2 97 97 A S E >> -D 403 0D 1 470,-2.8 3,-2.4 -2,-0.3 4,-0.8 -0.379 32.7-107.4 -74.7 157.7 16.7 9.4 12.3 98 98 A L H 3> S+ 0 0 9 304,-2.2 4,-1.8 300,-0.3 305,-0.2 0.714 122.0 67.9 -55.2 -18.7 14.8 10.2 15.5 99 99 A L H 3> S+ 0 0 3 300,-1.1 4,-2.2 303,-0.3 -1,-0.3 0.742 86.1 68.1 -73.5 -22.9 12.1 8.0 13.8 100 100 A F H X> S+ 0 0 0 -3,-2.4 4,-1.4 467,-0.2 3,-0.5 0.992 106.9 38.8 -57.4 -58.2 14.5 5.0 14.2 101 101 A M H 3X S+ 0 0 16 -4,-0.8 4,-1.2 1,-0.2 3,-0.4 0.948 114.5 55.6 -54.2 -47.3 13.9 5.3 18.0 102 102 A Q H 3X S+ 0 0 1 -4,-1.8 4,-1.1 1,-0.2 -1,-0.2 0.775 104.4 50.9 -62.5 -28.5 10.2 6.1 17.5 103 103 A W H X S+ 0 0 0 -4,-2.8 3,-1.2 1,-0.2 4,-1.1 0.970 112.0 51.9 -58.2 -52.1 6.4 -2.1 17.6 108 108 A D H >X S+ 0 0 24 -4,-2.7 4,-2.2 1,-0.3 3,-0.7 0.881 109.1 49.8 -48.5 -43.8 7.2 -2.7 21.2 109 109 A H H 3< S+ 0 0 16 -4,-1.7 -1,-0.3 1,-0.3 -2,-0.2 0.634 107.1 55.9 -78.5 -14.9 3.7 -1.5 22.3 110 110 A D H << S+ 0 0 0 -3,-1.2 -1,-0.3 -4,-1.0 80,-0.3 0.695 116.4 35.6 -80.4 -25.0 2.1 -3.7 19.6 111 111 A L H << S+ 0 0 0 -4,-1.1 2,-0.3 -3,-0.7 228,-0.2 0.820 116.3 21.8-106.1 -37.1 3.8 -6.8 21.1 112 112 A D < + 0 0 8 -4,-2.2 2,-0.3 -5,-0.2 -1,-0.2 -0.994 41.0 163.0-144.5 147.3 4.0 -6.7 24.9 113 113 A F - 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0 0 0 -3,-0.9 -395,-1.7 -4,-0.4 -3,-0.2 0.947 41.8-172.6 71.7 56.9 12.4 -13.3 37.7 446 446 A M < - 0 0 9 -5,-1.3 -1,-0.2 -397,-0.2 -397,-0.1 -0.643 25.0-120.1 -90.3 135.9 15.0 -13.2 35.0 447 447 A P - 0 0 3 0, 0.0 45,-0.5 0, 0.0 -1,-0.1 -0.308 44.8-100.4 -51.9 151.7 18.0 -15.5 34.7 448 448 A G > - 0 0 3 40,-0.2 4,-1.4 43,-0.1 3,-0.3 0.007 38.9 -86.0 -70.0-179.9 21.4 -13.6 34.9 449 449 A Y H > S+ 0 0 2 41,-2.0 4,-2.6 38,-0.5 5,-0.2 0.887 125.1 51.9 -57.8 -43.7 23.6 -12.5 32.0 450 450 A N H > S+ 0 0 3 37,-0.5 4,-3.3 1,-0.2 -1,-0.2 0.850 102.9 59.8 -68.8 -28.3 25.6 -15.8 31.8 451 451 A S H > S+ 0 0 44 -3,-0.3 4,-2.8 37,-0.3 -1,-0.2 0.934 110.9 41.0 -60.2 -47.2 22.4 -17.8 31.5 452 452 A W H X S+ 0 0 3 -4,-1.4 4,-1.7 2,-0.2 -2,-0.2 0.903 112.3 53.1 -71.8 -39.3 21.4 -15.9 28.4 453 453 A R H ><>S+ 0 0 13 -4,-2.6 5,-2.0 2,-0.2 3,-1.1 0.984 110.8 49.1 -56.6 -51.3 24.9 -16.0 27.0 454 454 A G H ><5S+ 0 0 30 -4,-3.3 3,-2.3 1,-0.3 -2,-0.2 0.956 108.6 54.6 -46.1 -58.9 24.7 -19.7 27.5 455 455 A F H 3<5S+ 0 0 58 -4,-2.8 -1,-0.3 1,-0.3 -2,-0.2 0.729 109.0 46.8 -43.2 -34.7 21.3 -19.7 25.8 456 456 A f T <<5S- 0 0 14 -4,-1.7 -1,-0.3 -3,-1.1 -2,-0.2 0.274 114.8-112.9-102.0 13.3 22.7 -18.0 22.7 457 457 A G T < 5S+ 0 0 71 -3,-2.3 2,-0.3 -4,-0.3 -3,-0.2 0.870 74.2 131.0 63.3 36.8 25.7 -20.3 22.4 458 458 A L < - 0 0 58 -5,-2.0 -1,-0.2 -6,-0.2 -2,-0.2 -0.920 65.6 -82.0-120.8 148.6 28.2 -17.5 23.2 459 459 A S - 0 0 80 -2,-0.3 -1,-0.1 -3,-0.1 -3,-0.1 0.018 34.7-139.3 -44.4 147.8 31.0 -17.6 25.8 460 460 A Q - 0 0 99 -7,-0.1 -1,-0.1 -6,-0.0 2,-0.1 -0.894 15.0-143.4-118.3 99.4 30.2 -17.0 29.5 461 461 A P + 0 0 11 0, 0.0 27,-0.1 0, 0.0 -11,-0.1 -0.399 20.2 178.6 -59.0 139.4 32.9 -14.9 31.2 462 462 A K + 0 0 119 25,-0.1 2,-0.3 -2,-0.1 26,-0.1 0.390 61.3 44.8-119.2 -4.6 33.6 -15.8 34.8 463 463 A T S > S- 0 0 88 23,-0.1 4,-2.7 1,-0.1 5,-0.2 -0.907 89.3 -97.2-141.7 162.7 36.4 -13.3 35.7 464 464 A L H > S+ 0 0 70 -2,-0.3 4,-2.6 1,-0.2 5,-0.1 0.886 121.3 46.0 -40.9 -53.0 37.3 -9.6 35.3 465 465 A K H > S+ 0 0 151 1,-0.3 4,-2.1 2,-0.2 -1,-0.2 0.826 110.4 51.9 -72.1 -34.8 39.4 -10.1 32.3 466 466 A G H > S+ 0 0 24 2,-0.2 4,-2.7 -3,-0.2 -1,-0.3 0.935 111.2 48.3 -64.4 -44.3 36.9 -12.3 30.6 467 467 A L H X S+ 0 0 1 -4,-2.7 4,-2.5 1,-0.3 -2,-0.2 0.890 108.3 56.7 -65.4 -38.4 34.3 -9.7 31.1 468 468 A Q H X>S+ 0 0 32 -4,-2.6 4,-1.2 -5,-0.2 5,-0.9 0.878 109.5 44.8 -54.2 -45.2 36.8 -7.2 29.8 469 469 A T H <5S+ 0 0 97 -4,-2.1 3,-0.4 2,-0.2 -2,-0.2 0.962 112.0 49.4 -69.9 -50.4 37.1 -9.1 26.5 470 470 A V H <5S+ 0 0 24 -4,-2.7 -2,-0.2 1,-0.2 -1,-0.2 0.951 122.5 34.6 -52.1 -49.0 33.4 -9.7 26.0 471 471 A L H <5S- 0 0 2 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.576 94.6-142.2 -81.3 -10.6 32.7 -6.0 26.6 472 472 A K T <5S+ 0 0 164 -4,-1.2 2,-0.3 -3,-0.4 -3,-0.2 0.842 70.6 105.0 46.9 35.1 35.9 -4.8 25.0 473 473 A N >< - 0 0 25 -5,-0.9 4,-0.8 -6,-0.2 -2,-0.2 -0.985 54.3-165.5-141.3 124.8 35.9 -2.1 27.7 474 474 A K H > S+ 0 0 143 -2,-0.3 4,-0.8 2,-0.1 -1,-0.1 0.959 89.5 41.4 -76.9 -47.1 38.3 -2.3 30.7 475 475 A I H >> S+ 0 0 90 2,-0.2 4,-2.1 1,-0.2 3,-0.5 0.913 113.5 49.2 -68.1 -49.2 36.6 0.3 32.9 476 476 A L H 3> S+ 0 0 4 1,-0.3 4,-2.3 2,-0.2 5,-0.3 0.948 111.1 53.2 -55.5 -49.7 32.9 -0.6 32.3 477 477 A A H 3X S+ 0 0 0 -4,-0.8 4,-1.2 1,-0.2 -1,-0.3 0.798 108.2 51.9 -53.6 -30.7 33.9 -4.2 33.0 478 478 A K H S- 0 0 22 -2,-0.7 3,-1.3 -6,-0.2 4,-0.4 -0.978 76.3-127.4-155.9 145.2 30.4 -12.1 39.5 487 487 A P G > S+ 0 0 0 0, 0.0 3,-2.1 0, 0.0 -38,-0.5 0.878 103.2 75.6 -68.4 -27.1 29.0 -11.9 36.0 488 488 A D G 3 S+ 0 0 48 1,-0.3 -37,-0.3 -39,-0.2 -40,-0.2 0.824 98.3 47.9 -48.0 -29.4 26.5 -14.7 36.8 489 489 A N G < S+ 0 0 0 -3,-1.3 2,-0.4 -41,-0.2 -1,-0.3 0.543 77.9 122.5 -91.5 -8.1 24.5 -12.0 38.7 490 490 A I < - 0 0 2 -3,-2.1 -41,-2.0 -4,-0.4 -40,-0.1 -0.440 69.2-119.5 -60.4 111.2 24.6 -9.3 36.1 491 491 A D >> - 0 0 4 -2,-0.4 4,-1.9 -43,-0.2 3,-0.6 -0.282 21.2-121.3 -44.6 131.5 20.9 -8.4 35.3 492 492 A I H 3> S+ 0 0 2 -45,-0.5 4,-2.8 1,-0.2 5,-0.3 0.796 106.4 59.6 -53.9 -36.3 20.1 -9.1 31.6 493 493 A W H 3> S+ 0 0 3 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.931 113.7 34.3 -59.8 -47.1 19.0 -5.5 30.8 494 494 A I H <> S+ 0 0 0 -3,-0.6 4,-0.8 2,-0.2 -1,-0.2 0.746 121.2 48.9 -83.9 -24.4 22.3 -3.9 31.8 495 495 A G H X S+ 0 0 2 -4,-1.9 4,-0.8 2,-0.2 3,-0.4 0.933 111.1 49.7 -76.7 -46.6 24.4 -6.8 30.5 496 496 A G H >< S+ 0 0 1 -4,-2.8 3,-0.7 1,-0.3 12,-0.4 0.907 114.9 43.5 -57.9 -43.3 22.7 -7.0 27.2 497 497 A N H 3< S+ 0 0 8 -4,-1.5 -1,-0.3 -5,-0.3 -2,-0.2 0.660 102.1 67.5 -83.4 -15.6 23.0 -3.3 26.6 498 498 A A H 3< S+ 0 0 0 -4,-0.8 -1,-0.2 -3,-0.4 -2,-0.2 0.684 78.6 100.2 -75.4 -15.8 26.6 -3.1 27.7 499 499 A E S << S- 0 0 5 -4,-0.8 -28,-0.1 -3,-0.7 2,-0.1 -0.313 81.9-107.2 -69.4 148.9 27.9 -5.3 24.8 500 500 A P - 0 0 42 0, 0.0 2,-0.1 0, 0.0 -1,-0.1 -0.531 47.2 -90.1 -71.5 153.2 29.5 -3.5 21.8 501 501 A M - 0 0 62 7,-0.2 7,-0.3 -2,-0.1 3,-0.1 -0.346 32.0-120.4 -70.6 135.7 27.4 -3.4 18.7 502 502 A V > - 0 0 20 5,-2.0 3,-1.6 1,-0.2 -1,-0.1 -0.222 55.4 -69.1 -60.2 161.0 27.5 -5.9 15.9 503 503 A E T 3 S- 0 0 161 1,-0.3 -184,-1.7 -185,-0.1 -183,-0.3 -0.244 116.7 -5.6 -54.9 135.5 28.5 -4.7 12.4 504 504 A R T 3 S+ 0 0 193 -186,-0.2 -186,-0.3 1,-0.2 -1,-0.3 0.574 118.6 102.4 53.0 10.4 25.9 -2.4 10.8 505 505 A G S < S- 0 0 0 -3,-1.6 -188,-0.2 -188,-0.2 -189,-0.2 -0.376 70.1-138.2-108.8-174.7 23.6 -3.1 13.7 506 506 A R S S+ 0 0 40 -190,-2.0 2,-0.3 -2,-0.1 -189,-0.1 0.153 82.2 50.9-135.6 16.5 22.6 -1.2 16.9 507 507 A V S S- 0 0 5 -191,-0.6 -5,-2.0 -5,-0.1 -2,-0.1 -0.947 80.8-108.9-142.1 167.3 22.7 -4.0 19.5 508 508 A G > - 0 0 2 -12,-0.4 4,-2.5 -2,-0.3 5,-0.2 0.005 41.7 -81.0 -85.5-169.1 25.2 -6.6 20.4 509 509 A P H > S+ 0 0 37 0, 0.0 4,-1.9 0, 0.0 5,-0.1 0.916 127.3 44.9 -59.8 -48.3 25.6 -10.4 20.1 510 510 A L H > S+ 0 0 0 1,-0.2 4,-1.8 2,-0.2 5,-0.2 0.966 117.4 44.8 -65.0 -50.8 23.3 -11.3 23.1 511 511 A L H > S+ 0 0 4 -15,-0.4 4,-2.0 1,-0.2 5,-0.4 0.836 108.9 55.6 -59.6 -36.6 20.7 -8.8 22.0 512 512 A A H X S+ 0 0 0 -4,-2.5 4,-2.5 1,-0.2 5,-0.3 0.939 109.9 48.9 -63.4 -45.4 20.8 -9.8 18.3 513 513 A f H X S+ 0 0 1 -4,-1.9 4,-2.5 3,-0.2 -2,-0.2 0.920 113.4 42.5 -54.9 -53.3 20.0 -13.4 19.4 514 514 A L H X S+ 0 0 0 -4,-1.8 4,-2.5 2,-0.2 -2,-0.2 0.951 123.4 38.2 -67.5 -49.2 17.0 -12.7 21.8 515 515 A L H X S+ 0 0 2 -4,-2.0 4,-2.4 2,-0.2 5,-0.3 0.985 117.3 49.6 -58.8 -63.0 15.4 -10.1 19.4 516 516 A G H X S+ 0 0 0 -4,-2.5 4,-2.0 -5,-0.4 5,-0.2 0.890 113.3 49.1 -44.5 -48.3 16.3 -12.1 16.2 517 517 A R H X S+ 0 0 81 -4,-2.5 4,-2.0 -5,-0.3 -1,-0.2 0.962 110.6 48.5 -55.7 -58.2 14.8 -15.2 17.9 518 518 A Q H X S+ 0 0 0 -4,-2.5 4,-2.2 1,-0.2 -2,-0.2 0.893 112.9 48.3 -48.8 -45.9 11.6 -13.4 18.9 519 519 A F H X S+ 0 0 2 -4,-2.4 4,-1.1 1,-0.2 5,-0.2 0.881 108.5 51.4 -70.0 -43.4 11.0 -11.9 15.4 520 520 A Q H X S+ 0 0 40 -4,-2.0 4,-3.1 -5,-0.3 3,-0.3 0.913 111.9 50.5 -53.1 -46.2 11.5 -15.1 13.4 521 521 A Q H X S+ 0 0 33 -4,-2.0 4,-2.4 1,-0.2 -2,-0.2 0.937 109.1 47.4 -65.4 -49.4 9.0 -16.8 15.8 522 522 A I H < S+ 0 0 2 -4,-2.2 -335,-0.3 2,-0.2 -1,-0.2 0.611 118.0 43.9 -68.6 -12.4 6.2 -14.2 15.5 523 523 A R H >< S+ 0 0 13 -4,-1.1 3,-1.4 -3,-0.3 -2,-0.2 0.864 116.9 43.1 -93.4 -46.4 6.6 -14.2 11.8 524 524 A D H 3< S+ 0 0 26 -4,-3.1 -192,-2.4 1,-0.2 -189,-0.2 0.803 116.6 50.4 -65.7 -23.2 6.8 -17.9 11.3 525 525 A G T 3< S+ 0 0 0 -4,-2.4 2,-0.7 -5,-0.2 -1,-0.2 0.333 86.3 100.2 -98.6 10.8 4.0 -18.5 13.8 526 526 A D X - 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