==== 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 OXIDOREDUCTASE 15-JUL-10 3NYH . COMPND 2 MOLECULE: LACTOPEROXIDASE; . SOURCE 2 ORGANISM_SCIENTIFIC: BOS TAURUS; . AUTHOR N.PANDEY,A.K.SINGH,M.SINHA,P.KAUR,S.SHARMA,T.P.SINGH . 595 1 7 7 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 25407.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 348 58.5 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 . 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 . 3 0.5 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 . 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 . 32 5.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 70 11.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 161 27.1 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 6 0 3 3 3 2 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 . 10 4 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 . 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 0 159 0, 0.0 3,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 150.7 6.0 -33.3 35.5 2 2 A W - 0 0 220 1,-0.2 2,-0.3 2,-0.0 3,-0.0 0.965 360.0-138.5 60.5 67.5 4.2 -30.0 34.7 3 3 A E - 0 0 163 1,-0.1 -1,-0.2 2,-0.0 2,-0.2 -0.397 39.3-111.0 -54.1 113.2 0.5 -30.4 35.0 4 4 A V - 0 0 149 -2,-0.3 -1,-0.1 -3,-0.1 -2,-0.0 -0.314 70.0 -3.2 -66.6 120.4 -0.5 -28.4 31.9 5 5 A G - 0 0 68 -2,-0.2 2,-0.4 1,-0.1 -1,-0.1 0.914 47.8-138.1 77.7 109.8 -2.3 -25.1 32.4 6 6 A a - 0 0 57 1,-0.0 2,-0.2 2,-0.0 -1,-0.1 -0.799 25.8-169.5 -78.3 138.3 -3.6 -23.0 35.2 7 7 A G + 0 0 55 -2,-0.4 160,-0.1 1,-0.1 -1,-0.0 -0.622 38.1 123.6-136.0 78.7 -7.0 -21.6 34.2 8 8 A A S S+ 0 0 61 -2,-0.2 -1,-0.1 2,-0.1 159,-0.1 0.537 79.3 33.7-111.1 -11.6 -8.4 -18.9 36.4 9 9 A P S S+ 0 0 66 0, 0.0 -2,-0.1 0, 0.0 32,-0.1 0.838 119.3 27.7-108.8 -63.6 -8.9 -16.0 34.0 10 10 A V + 0 0 46 30,-0.2 -2,-0.1 1,-0.1 25,-0.0 -0.932 62.6 145.5-109.8 110.3 -9.8 -16.9 30.4 11 11 A P + 0 0 103 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 0.350 39.5 103.5-124.9 -0.5 -11.7 -20.3 30.5 12 12 A L - 0 0 143 2,-0.0 2,-0.4 1,-0.0 -2,-0.0 -0.595 52.1-160.4 -85.9 147.2 -14.1 -19.7 27.6 13 13 A V + 0 0 117 -2,-0.2 2,-0.3 14,-0.0 22,-0.0 -0.940 27.4 137.5-135.4 113.5 -13.5 -21.3 24.2 14 14 A K + 0 0 190 -2,-0.4 2,-0.4 20,-0.0 -2,-0.0 -0.841 15.3 169.8-157.0 116.6 -15.1 -20.2 20.9 15 15 A b - 0 0 41 -2,-0.3 2,-0.7 16,-0.0 3,-0.1 -0.972 31.2-140.1-131.4 122.0 -13.5 -19.8 17.5 16 16 A D - 0 0 104 -2,-0.4 -2,-0.0 1,-0.2 0, 0.0 -0.727 20.9-164.5 -67.3 116.4 -14.9 -19.2 14.0 17 17 A E S S+ 0 0 96 -2,-0.7 -1,-0.2 1,-0.2 14,-0.0 0.674 83.4 50.0 -80.3 -22.1 -12.7 -21.6 12.1 18 18 A N S S+ 0 0 147 -3,-0.1 -1,-0.2 2,-0.0 -2,-0.1 0.750 78.4 126.1 -89.3 -27.5 -13.6 -20.0 8.8 19 19 A S - 0 0 34 1,-0.1 4,-0.1 2,-0.0 0, 0.0 0.034 47.8-156.5 -42.7 127.2 -13.1 -16.3 9.6 20 20 A P S S+ 0 0 71 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.662 74.2 70.2 -80.9 -9.8 -10.7 -14.4 7.3 21 21 A Y S S- 0 0 29 1,-0.1 2,-0.1 276,-0.0 274,-0.1 -0.683 84.8-108.6-109.5 156.8 -9.9 -11.8 10.1 22 22 A R - 0 0 37 -2,-0.3 2,-0.1 272,-0.1 6,-0.1 -0.377 34.2-113.4 -71.2 156.5 -8.0 -11.9 13.3 23 23 A T - 0 0 50 4,-0.5 -1,-0.1 1,-0.1 -8,-0.0 -0.403 22.1-123.1 -76.6 161.6 -9.8 -11.8 16.7 24 24 A I S S+ 0 0 28 1,-0.2 160,-0.2 -2,-0.1 -1,-0.1 0.806 112.2 49.9 -70.6 -36.4 -9.3 -8.6 18.7 25 25 A T S S- 0 0 33 2,-0.1 14,-2.7 13,-0.1 -1,-0.2 0.564 110.0-118.7 -78.1 -15.1 -8.0 -10.8 21.6 26 26 A G > + 0 0 5 1,-0.3 3,-1.1 12,-0.3 12,-0.2 0.246 69.4 136.4 91.3 -14.2 -5.5 -12.9 19.6 27 27 A D T 3 + 0 0 36 1,-0.2 -4,-0.5 2,-0.1 -1,-0.3 -0.319 58.4 31.9 -63.6 152.5 -7.4 -16.1 20.4 28 28 A b T 3 S+ 0 0 10 6,-2.1 -1,-0.2 2,-0.3 7,-0.1 0.490 81.9 111.3 81.0 3.7 -8.0 -18.6 17.6 29 29 A N S < S+ 0 0 3 -3,-1.1 2,-0.6 5,-0.5 -2,-0.1 0.951 77.3 47.3 -68.3 -53.9 -4.8 -17.8 15.7 30 30 A N S S- 0 0 5 6,-0.4 -2,-0.3 3,-0.3 6,-0.2 -0.830 80.0-153.6 -89.7 122.6 -3.3 -21.1 16.4 31 31 A R S S+ 0 0 131 -2,-0.6 -1,-0.1 1,-0.2 -2,-0.0 0.874 89.2 42.5 -68.7 -36.3 -5.9 -23.9 15.7 32 32 A R S S+ 0 0 205 1,-0.3 -1,-0.2 301,-0.1 -2,-0.0 0.753 131.3 24.0 -84.6 -27.9 -4.7 -26.6 18.0 33 33 A S S > S- 0 0 50 3,-0.1 3,-2.3 1,-0.1 -3,-0.3 -0.640 74.0-179.0-133.6 77.6 -4.0 -24.3 20.9 34 34 A P T 3 S+ 0 0 39 0, 0.0 -6,-2.1 0, 0.0 -5,-0.5 0.542 76.2 62.9 -56.9 -16.8 -6.3 -21.2 20.3 35 35 A A T > S+ 0 0 23 -8,-0.2 3,-1.8 -7,-0.1 2,-0.2 0.604 74.4 115.3 -82.1 -13.8 -5.1 -19.3 23.4 36 36 A L T < S+ 0 0 38 -3,-2.3 -6,-0.4 1,-0.3 -7,-0.3 -0.402 88.6 6.5 -64.7 122.2 -1.4 -19.1 22.1 37 37 A G T 3 S+ 0 0 2 1,-0.3 148,-2.5 -2,-0.2 149,-0.5 0.313 98.3 137.7 91.1 -14.2 -0.5 -15.4 21.5 38 38 A A < - 0 0 8 -3,-1.8 3,-0.4 -12,-0.2 -1,-0.3 -0.417 57.0-107.8 -62.3 150.3 -3.8 -14.2 23.0 39 39 A A S S+ 0 0 4 -14,-2.7 143,-0.2 156,-0.2 145,-0.1 -0.111 95.0 38.6 -69.6 166.4 -3.8 -11.2 25.3 40 40 A N S S+ 0 0 63 141,-1.3 2,-0.2 1,-0.2 -1,-0.2 0.788 92.5 104.5 62.8 31.6 -4.4 -11.5 29.1 41 41 A R E S-A 181 0A 93 140,-1.0 140,-2.7 -3,-0.4 -1,-0.2 -0.764 79.6 -68.8-128.8 176.3 -2.3 -14.7 29.5 42 42 A A E -A 180 0A 28 -2,-0.2 138,-0.3 138,-0.2 2,-0.1 -0.402 47.3-111.9 -68.5 145.1 1.1 -15.4 31.0 43 43 A L - 0 0 4 136,-2.8 297,-0.2 -2,-0.1 -1,-0.1 -0.447 46.4 -98.8 -62.3 144.2 4.2 -14.2 29.2 44 44 A A B -b 340 0B 0 295,-2.3 297,-2.8 -2,-0.1 2,-0.6 -0.346 27.3-138.6 -64.3 145.5 6.2 -17.3 27.9 45 45 A R + 0 0 49 295,-0.2 295,-0.1 1,-0.1 -1,-0.1 -0.941 21.4 177.7-105.3 105.8 9.2 -18.6 30.0 46 46 A W S S+ 0 0 45 -2,-0.6 -1,-0.1 1,-0.2 -2,-0.0 0.734 83.1 20.3 -73.9 -29.9 12.0 -19.5 27.7 47 47 A L S S- 0 0 47 -3,-0.1 -1,-0.2 400,-0.0 295,-0.1 -0.965 105.4 -86.5-128.2 155.1 14.0 -20.3 30.9 48 48 A P - 0 0 96 0, 0.0 -2,-0.1 0, 0.0 2,-0.0 -0.235 53.3 -98.4 -61.9 148.0 12.6 -21.0 34.3 49 49 A A - 0 0 17 397,-0.1 2,-0.6 5,-0.1 397,-0.2 -0.309 30.5-142.8 -64.0 152.4 11.9 -18.0 36.5 50 50 A E + 0 0 63 395,-3.1 9,-0.4 394,-0.1 2,-0.3 -0.935 29.8 164.0-125.8 97.5 14.6 -17.1 39.1 51 51 A Y > - 0 0 9 -2,-0.6 3,-1.6 7,-0.1 392,-0.1 -0.851 48.0-115.9-111.6 156.6 13.2 -15.8 42.4 52 52 A E T 3 S+ 0 0 17 5,-2.8 -1,-0.1 -2,-0.3 14,-0.0 0.826 120.5 31.8 -54.2 -40.0 14.8 -15.4 45.8 53 53 A D T 3 S- 0 0 61 4,-0.5 -1,-0.3 6,-0.0 -3,-0.0 0.106 115.5-111.2-105.6 18.3 12.4 -17.9 47.3 54 54 A G S < S+ 0 0 47 -3,-1.6 -2,-0.1 3,-0.2 122,-0.1 0.199 105.1 52.5 70.9 -18.5 12.1 -20.0 44.1 55 55 A L S S- 0 0 57 121,-0.1 122,-2.6 -5,-0.1 -1,-0.2 0.792 123.5 -26.7-116.7 -66.2 8.4 -18.9 43.7 56 56 A A S S+ 0 0 21 120,-0.2 389,-0.1 117,-0.1 -6,-0.1 0.596 91.6 102.9-137.5 -16.7 7.7 -15.1 43.8 57 57 A L - 0 0 47 1,-0.1 -5,-2.8 388,-0.0 -4,-0.5 -0.619 64.3-126.3 -86.1 133.8 10.1 -12.9 45.7 58 58 A P > - 0 0 0 0, 0.0 3,-2.2 0, 0.0 4,-0.4 -0.462 27.2-100.1 -74.9 150.2 12.6 -10.9 43.7 59 59 A F T 3 S+ 0 0 30 -9,-0.4 386,-0.1 383,-0.3 7,-0.1 -0.406 116.7 40.4 -57.6 136.1 16.3 -11.0 44.3 60 60 A G T 3 S+ 0 0 33 5,-0.4 -1,-0.3 2,-0.3 3,-0.1 0.217 89.4 100.8 99.9 -13.7 17.0 -7.9 46.3 61 61 A W S < S+ 0 0 33 -3,-2.2 2,-0.6 1,-0.2 -2,-0.1 0.968 78.5 45.3 -71.3 -50.1 13.8 -8.4 48.4 62 62 A T S > S- 0 0 22 -4,-0.4 3,-0.9 1,-0.2 -2,-0.3 -0.849 76.3-147.3-100.2 120.1 15.3 -9.9 51.5 63 63 A Q T 3 S+ 0 0 138 -2,-0.6 -1,-0.2 1,-0.3 -2,-0.0 0.845 97.2 46.1 -53.0 -40.6 18.4 -8.0 52.6 64 64 A R T 3 S+ 0 0 189 -3,-0.1 2,-0.5 2,-0.1 -1,-0.3 0.792 92.6 91.3 -77.7 -26.3 20.2 -11.1 54.0 65 65 A K < - 0 0 87 -3,-0.9 -5,-0.4 1,-0.0 -3,-0.1 -0.581 62.2-161.0 -81.3 118.6 19.5 -13.4 51.0 66 66 A T - 0 0 63 -2,-0.5 2,-0.5 5,-0.1 5,-0.2 -0.370 19.0-126.4 -88.3 174.3 22.2 -13.3 48.4 67 67 A R B > S-C 70 0C 9 3,-3.2 3,-1.8 1,-0.1 422,-0.1 -0.984 94.6 -20.2-115.3 115.6 22.2 -14.3 44.7 68 68 A N T 3 S- 0 0 106 -2,-0.5 -1,-0.1 1,-0.3 3,-0.1 0.800 131.8 -47.9 56.8 27.5 25.1 -16.8 44.2 69 69 A G T 3 S+ 0 0 51 1,-0.2 2,-0.4 0, 0.0 -1,-0.3 0.399 122.7 90.3 99.5 -4.7 26.8 -15.6 47.4 70 70 A F B < S-C 67 0C 87 -3,-1.8 -3,-3.2 414,-0.1 -1,-0.2 -0.957 76.3-115.8-128.5 147.0 26.5 -11.8 46.8 71 71 A R - 0 0 163 -2,-0.4 -5,-0.1 -5,-0.2 -8,-0.1 -0.542 36.7-118.2 -72.7 144.2 23.9 -9.2 47.6 72 72 A V - 0 0 22 -2,-0.2 412,-0.1 1,-0.1 2,-0.1 -0.630 34.5-114.1 -82.7 142.0 22.4 -7.7 44.4 73 73 A P - 0 0 15 0, 0.0 -1,-0.1 0, 0.0 410,-0.1 -0.410 36.2 -87.3 -80.4 154.9 23.1 -3.9 44.2 74 74 A L > - 0 0 67 1,-0.1 4,-2.1 -2,-0.1 3,-0.5 -0.322 31.7-130.5 -59.2 134.5 20.4 -1.3 44.4 75 75 A A H > S+ 0 0 2 1,-0.2 4,-2.0 2,-0.2 -1,-0.1 0.875 108.3 50.9 -52.5 -43.0 18.8 -0.5 41.0 76 76 A R H > S+ 0 0 3 67,-0.4 4,-2.8 2,-0.2 -1,-0.2 0.802 107.3 53.2 -68.7 -30.0 19.2 3.2 41.5 77 77 A E H > S+ 0 0 51 -3,-0.5 4,-2.6 2,-0.2 5,-0.3 0.910 109.0 48.7 -73.9 -38.6 22.9 2.8 42.4 78 78 A V H X>S+ 0 0 0 -4,-2.1 4,-2.3 2,-0.2 5,-0.9 0.903 112.4 51.0 -60.3 -42.5 23.6 0.8 39.2 79 79 A S H X>S+ 0 0 0 -4,-2.0 5,-1.7 -5,-0.2 4,-1.4 0.975 112.6 44.0 -57.8 -53.9 21.7 3.5 37.4 80 80 A N H <5S+ 0 0 45 -4,-2.8 -2,-0.2 1,-0.2 -1,-0.2 0.882 120.6 39.3 -55.8 -45.8 23.8 6.3 38.9 81 81 A K H <5S+ 0 0 117 -4,-2.6 -1,-0.2 -5,-0.1 -2,-0.2 0.831 133.6 13.3 -82.3 -34.7 27.2 4.7 38.5 82 82 A I H <5S+ 0 0 6 -4,-2.3 330,-0.3 -5,-0.3 -3,-0.2 0.763 124.2 44.5-112.6 -35.6 26.8 3.1 35.1 83 83 A V T < + 0 0 53 -2,-0.8 3,-1.3 2,-0.1 4,-0.3 0.515 51.9 114.0 -79.6 -6.4 24.6 15.4 25.6 89 89 A E T 3 S+ 0 0 142 1,-0.2 -2,-0.1 2,-0.1 0, 0.0 -0.503 85.2 4.7 -67.1 130.1 27.2 16.6 23.0 90 90 A G T 3 S+ 0 0 70 -2,-0.2 -1,-0.2 1,-0.1 -2,-0.1 0.502 95.8 114.5 82.5 5.8 28.2 14.0 20.4 91 91 A V < + 0 0 4 -3,-1.3 315,-2.9 2,-0.1 -2,-0.1 0.577 45.6 107.7 -92.6 -6.5 25.7 11.4 21.7 92 92 A L E S-D 405 0D 69 -4,-0.3 2,-0.7 313,-0.2 313,-0.3 -0.376 75.5-112.6 -77.3 151.4 23.5 11.4 18.5 93 93 A D E > - 0 0 3 311,-3.1 3,-1.2 3,-0.2 311,-0.3 -0.643 20.0-157.1 -83.8 114.7 23.3 8.5 16.0 94 94 A Q E 3 S+ 0 0 142 -2,-0.7 -1,-0.2 1,-0.3 475,-0.1 0.622 89.6 40.0 -70.8 -7.7 24.8 9.8 12.8 95 95 A N E 3 S+ 0 0 83 1,-0.1 2,-0.3 473,-0.1 -1,-0.3 -0.117 102.1 65.9-136.5 40.8 22.9 7.1 10.9 96 96 A R E < - 0 0 15 -3,-1.2 308,-2.3 472,-0.2 472,-0.3 -0.876 68.4-134.7-156.5 128.2 19.4 6.7 12.3 97 97 A S E >> -D 403 0D 0 470,-2.3 3,-1.3 -2,-0.3 4,-0.7 -0.270 34.0-105.3 -72.8 167.6 16.5 9.2 12.3 98 98 A L H 3> S+ 0 0 4 304,-2.6 4,-2.1 300,-0.4 3,-0.5 0.808 120.0 70.6 -64.3 -24.7 14.5 9.9 15.4 99 99 A L H 3> S+ 0 0 1 300,-2.1 4,-2.8 303,-0.4 5,-0.3 0.800 87.7 64.5 -60.9 -26.9 11.8 7.9 13.7 100 100 A F H <> S+ 0 0 0 -3,-1.3 4,-1.4 467,-0.2 -1,-0.2 0.928 105.7 41.9 -61.1 -50.3 14.0 4.8 14.2 101 101 A M H X S+ 0 0 12 -4,-0.7 4,-1.5 -3,-0.5 -2,-0.2 0.939 115.0 51.9 -55.6 -50.4 13.6 5.1 18.0 102 102 A Q H X S+ 0 0 0 -4,-2.1 4,-2.0 1,-0.2 -2,-0.2 0.871 105.6 52.1 -66.4 -35.3 9.9 5.9 17.7 103 103 A W H X S+ 0 0 2 -4,-2.8 4,-2.9 1,-0.2 5,-0.3 0.878 105.0 58.8 -68.6 -35.8 9.0 2.9 15.6 104 104 A G H X S+ 0 0 6 -4,-1.4 4,-1.8 -5,-0.3 -1,-0.2 0.922 106.2 46.7 -54.9 -45.7 10.7 0.7 18.1 105 105 A Q H X S+ 0 0 37 -4,-1.5 4,-2.4 2,-0.2 -1,-0.2 0.891 111.5 53.0 -64.1 -38.6 8.4 1.9 20.8 106 106 A I H X S+ 0 0 1 -4,-2.0 4,-1.7 2,-0.2 -2,-0.2 0.970 110.6 44.9 -61.3 -49.9 5.4 1.4 18.5 107 107 A V H X S+ 0 0 0 -4,-2.9 4,-1.3 1,-0.2 -1,-0.2 0.921 113.0 53.0 -60.7 -36.5 6.3 -2.2 17.7 108 108 A D H X S+ 0 0 20 -4,-1.8 4,-2.7 -5,-0.3 3,-0.3 0.927 107.5 50.4 -73.8 -30.1 7.0 -2.9 21.4 109 109 A H H < S+ 0 0 14 -4,-2.4 -1,-0.3 1,-0.3 -2,-0.2 0.802 107.2 53.4 -81.6 -24.4 3.6 -1.6 22.4 110 110 A D H < S+ 0 0 0 -4,-1.7 -1,-0.3 -5,-0.2 78,-0.2 0.800 117.1 40.5 -70.0 -26.9 1.9 -3.8 19.8 111 111 A L H < S+ 0 0 0 -4,-1.3 2,-0.3 -3,-0.3 228,-0.2 0.825 118.0 12.4 -99.3 -35.1 3.6 -6.9 21.2 112 112 A D < + 0 0 8 -4,-2.7 2,-0.3 -5,-0.1 -1,-0.2 -0.992 39.7 167.8-153.1 150.9 3.7 -6.6 25.0 113 113 A F - 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0 0 52 -5,-2.8 -1,-0.2 -6,-0.2 -2,-0.1 -0.710 63.9 -85.3-109.9 160.2 27.8 -17.3 23.8 459 459 A S - 0 0 74 -2,-0.2 -1,-0.1 -3,-0.1 -3,-0.1 -0.264 32.3-136.4 -64.5 152.2 30.6 -17.4 26.3 460 460 A Q - 0 0 87 -7,-0.1 -1,-0.1 -6,-0.0 7,-0.1 -0.839 17.5-145.8-111.1 95.0 30.0 -16.8 30.0 461 461 A P + 0 0 10 0, 0.0 -11,-0.1 0, 0.0 3,-0.0 -0.294 20.1 177.3 -61.9 137.9 32.5 -14.6 31.6 462 462 A K + 0 0 109 25,-0.1 2,-0.3 24,-0.1 26,-0.1 0.592 59.5 45.4-112.7 -16.6 33.4 -15.4 35.2 463 463 A T S > S- 0 0 77 1,-0.1 4,-2.6 23,-0.1 5,-0.2 -0.816 87.4-103.0-125.1 166.2 36.1 -12.9 36.0 464 464 A L H > S+ 0 0 63 -2,-0.3 4,-2.9 1,-0.2 5,-0.2 0.923 122.4 49.6 -48.4 -50.5 36.8 -9.2 35.6 465 465 A K H > S+ 0 0 136 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.851 109.5 52.2 -64.8 -34.5 39.1 -9.8 32.7 466 466 A G H > S+ 0 0 22 2,-0.2 4,-2.1 1,-0.2 3,-0.3 0.928 111.2 45.7 -65.4 -47.4 36.6 -12.1 31.1 467 467 A L H X S+ 0 0 1 -4,-2.6 4,-2.9 1,-0.2 5,-0.3 0.899 108.6 57.8 -62.7 -39.3 33.9 -9.4 31.3 468 468 A Q H X>S+ 0 0 23 -4,-2.9 5,-1.2 -5,-0.2 4,-0.8 0.866 108.6 46.4 -53.7 -42.0 36.4 -6.8 30.0 469 469 A T H <5S+ 0 0 86 -4,-1.4 -1,-0.2 -3,-0.3 -2,-0.2 0.890 112.6 47.8 -73.3 -42.7 37.0 -8.9 26.9 470 470 A V H <5S+ 0 0 25 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.928 121.0 36.9 -64.2 -42.1 33.3 -9.5 26.2 471 471 A L H <5S- 0 0 1 -4,-2.9 -1,-0.2 2,-0.2 -2,-0.2 0.589 97.7-137.9 -84.1 -11.3 32.4 -5.8 26.7 472 472 A K T <5S+ 0 0 160 -4,-0.8 2,-0.3 -5,-0.3 -3,-0.2 0.880 74.4 102.2 53.6 38.1 35.5 -4.6 25.1 473 473 A N >< - 0 0 25 -5,-1.2 4,-0.8 -6,-0.3 -2,-0.2 -0.966 52.8-169.3-152.0 128.8 35.6 -2.0 27.8 474 474 A K H > S+ 0 0 145 -2,-0.3 4,-2.1 2,-0.1 5,-0.1 0.893 90.0 46.5 -89.5 -43.7 37.9 -2.2 31.0 475 475 A I H > S+ 0 0 94 2,-0.2 4,-2.3 1,-0.2 5,-0.1 0.915 113.2 47.0 -68.8 -44.3 36.2 0.6 32.9 476 476 A L H > S+ 0 0 4 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.931 113.2 50.1 -58.7 -51.3 32.6 -0.5 32.3 477 477 A A H X S+ 0 0 0 -4,-0.8 4,-2.7 1,-0.2 -2,-0.2 0.899 110.0 52.5 -54.7 -39.6 33.5 -4.1 33.3 478 478 A K H X S+ 0 0 100 -4,-2.1 4,-2.5 2,-0.2 -1,-0.2 0.935 109.8 46.4 -60.6 -49.2 35.2 -2.8 36.4 479 479 A K H X S+ 0 0 80 -4,-2.3 4,-1.6 2,-0.2 -2,-0.2 0.903 112.4 50.7 -64.0 -40.8 32.1 -0.8 37.5 480 480 A L H X S+ 0 0 2 -4,-2.6 4,-3.5 1,-0.2 5,-0.5 0.934 112.9 46.8 -65.0 -41.7 29.8 -3.7 36.8 481 481 A M H X S+ 0 0 33 -4,-2.7 4,-2.0 1,-0.2 -2,-0.2 0.879 108.4 54.6 -67.6 -37.9 32.0 -6.1 38.9 482 482 A D H < S+ 0 0 103 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.853 119.5 34.0 -63.5 -36.5 32.3 -3.6 41.7 483 483 A L H < S+ 0 0 15 -4,-1.6 -2,-0.2 -5,-0.2 -1,-0.2 0.851 131.5 27.8 -80.0 -47.3 28.5 -3.5 41.9 484 484 A Y H < S- 0 0 0 -4,-3.5 -3,-0.2 -5,-0.2 -2,-0.2 0.713 79.9-152.7 -95.5 -22.5 27.5 -7.1 41.0 485 485 A K S < S+ 0 0 108 -4,-2.0 -4,-0.1 -5,-0.5 -3,-0.1 0.521 78.3 42.6 65.7 6.5 30.6 -9.0 42.2 486 486 A T S S- 0 0 18 -6,-0.2 3,-0.2 -23,-0.1 4,-0.1 -0.898 76.5-132.4-173.8 149.2 29.9 -11.7 39.5 487 487 A P S S+ 0 0 0 0, 0.0 -37,-0.7 0, 0.0 3,-0.4 0.556 105.9 71.0 -87.0 -14.8 28.8 -11.6 35.9 488 488 A D S S+ 0 0 46 1,-0.2 -37,-0.2 -39,-0.2 -40,-0.2 0.715 98.5 46.9 -69.3 -19.6 26.3 -14.2 36.9 489 489 A N S S+ 0 0 0 -3,-0.2 2,-0.3 -41,-0.2 -1,-0.2 0.468 78.8 120.3-104.2 -10.5 24.3 -11.6 38.9 490 490 A I S S- 0 0 1 -3,-0.4 -41,-2.1 -4,-0.1 -40,-0.1 -0.457 72.0-115.1 -56.6 119.6 24.3 -8.8 36.2 491 491 A D > - 0 0 4 -2,-0.3 4,-2.7 -43,-0.2 3,-0.4 -0.317 20.8-122.4 -56.7 136.3 20.6 -8.0 35.4 492 492 A I H > S+ 0 0 2 -45,-0.5 4,-3.0 1,-0.2 5,-0.4 0.841 106.6 58.9 -52.8 -37.5 19.8 -8.9 31.8 493 493 A W H > S+ 0 0 1 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.946 115.7 34.6 -60.7 -47.1 18.6 -5.3 30.8 494 494 A I H > S+ 0 0 0 -3,-0.4 4,-1.1 2,-0.2 -1,-0.2 0.853 119.3 50.8 -78.4 -38.4 22.0 -3.7 31.8 495 495 A G H X S+ 0 0 2 -4,-2.7 4,-0.7 2,-0.2 3,-0.4 0.948 112.2 45.9 -64.3 -45.4 24.2 -6.7 30.7 496 496 A G H >< S+ 0 0 0 -4,-3.0 3,-0.8 -5,-0.3 12,-0.5 0.915 115.4 46.0 -64.6 -38.3 22.6 -7.0 27.2 497 497 A N H 3< S+ 0 0 5 -4,-1.5 -1,-0.2 -5,-0.4 -2,-0.2 0.689 101.7 67.1 -79.3 -13.8 22.8 -3.3 26.6 498 498 A A H 3< S+ 0 0 0 -4,-1.1 -1,-0.2 -3,-0.4 -2,-0.2 0.687 81.5 97.2 -75.5 -16.9 26.5 -3.1 27.8 499 499 A E S << S- 0 0 1 -3,-0.8 9,-0.2 -4,-0.7 -28,-0.1 -0.419 86.5-103.3 -76.9 143.6 27.7 -5.2 24.9 500 500 A P - 0 0 41 0, 0.0 -1,-0.1 0, 0.0 7,-0.1 -0.375 47.2 -97.1 -64.4 143.9 29.1 -3.5 21.8 501 501 A M - 0 0 51 7,-0.2 7,-0.3 -94,-0.1 3,-0.1 -0.277 35.6-111.8 -65.9 143.7 26.8 -3.4 18.9 502 502 A V > - 0 0 16 5,-2.9 3,-1.8 -186,-0.2 -1,-0.1 -0.212 51.7 -73.3 -67.4 159.0 26.9 -5.9 16.0 503 503 A E T 3 S+ 0 0 123 1,-0.3 -184,-2.2 -185,-0.1 -183,-0.2 -0.376 117.4 0.6 -57.0 136.9 28.1 -4.8 12.6 504 504 A R T 3 S+ 0 0 154 1,-0.2 -186,-0.4 -186,-0.2 -1,-0.3 0.664 120.4 90.8 58.0 26.4 25.4 -2.8 10.8 505 505 A G S < S- 0 0 1 -3,-1.8 -1,-0.2 -188,-0.2 -188,-0.2 -0.703 73.5-131.4-137.6-176.5 23.1 -3.1 13.7 506 506 A R S S+ 0 0 39 -190,-2.4 2,-0.3 -2,-0.2 -189,-0.1 0.243 82.3 58.4-130.5 14.5 22.3 -1.2 17.0 507 507 A V S S- 0 0 2 -191,-0.8 -5,-2.9 -5,-0.1 -10,-0.1 -0.940 80.8-107.7-138.0 163.5 22.3 -4.0 19.6 508 508 A G > - 0 0 1 -12,-0.5 4,-2.5 -2,-0.3 5,-0.2 -0.087 43.5 -86.9 -83.3-179.0 25.0 -6.4 20.8 509 509 A P H > S+ 0 0 44 0, 0.0 4,-1.8 0, 0.0 5,-0.2 0.905 122.9 51.7 -58.2 -44.7 25.3 -10.2 20.2 510 510 A L H > S+ 0 0 0 1,-0.2 4,-2.0 2,-0.2 3,-0.2 0.950 114.7 41.0 -61.0 -54.0 23.1 -11.2 23.3 511 511 A L H > S+ 0 0 2 -15,-0.3 4,-3.9 2,-0.2 5,-0.4 0.884 109.0 59.3 -61.7 -39.0 20.2 -8.9 22.4 512 512 A A H X S+ 0 0 0 -4,-2.5 4,-2.7 1,-0.3 -1,-0.2 0.900 110.8 44.8 -60.2 -36.6 20.3 -9.7 18.7 513 513 A f H X S+ 0 0 1 -4,-1.8 4,-1.8 -3,-0.2 -1,-0.3 0.806 115.3 43.3 -63.4 -61.2 19.8 -13.3 19.7 514 514 A L H X S+ 0 0 0 -4,-2.0 4,-1.7 -5,-0.2 -2,-0.2 0.918 122.8 41.4 -56.1 -45.7 17.0 -12.7 22.3 515 515 A L H X S+ 0 0 1 -4,-3.9 4,-2.7 -5,-0.2 5,-0.2 0.971 113.9 51.8 -63.2 -53.1 15.4 -10.2 19.8 516 516 A G H X S+ 0 0 0 -4,-2.7 4,-2.3 -5,-0.4 -3,-0.2 0.886 109.6 49.0 -51.8 -47.5 16.0 -12.3 16.7 517 517 A R H X S+ 0 0 81 -4,-1.8 4,-1.9 1,-0.2 -1,-0.2 0.925 111.0 49.7 -62.8 -43.2 14.5 -15.4 18.1 518 518 A Q H X S+ 0 0 0 -4,-1.7 4,-2.6 2,-0.2 -2,-0.2 0.931 112.4 46.3 -62.4 -47.3 11.4 -13.6 19.3 519 519 A F H X S+ 0 0 2 -4,-2.7 4,-1.5 1,-0.2 -1,-0.2 0.868 109.2 55.5 -65.8 -34.1 10.8 -11.9 16.0 520 520 A Q H X S+ 0 0 46 -4,-2.3 4,-3.0 -5,-0.2 -1,-0.2 0.909 111.4 45.8 -55.7 -45.0 11.3 -15.2 14.1 521 521 A Q H X S+ 0 0 24 -4,-1.9 4,-2.5 2,-0.2 -2,-0.2 0.889 108.5 52.5 -74.6 -40.5 8.6 -16.7 16.3 522 522 A I H < S+ 0 0 0 -4,-2.6 -335,-0.3 2,-0.2 -1,-0.2 0.824 117.3 41.2 -66.1 -27.6 6.1 -13.9 16.0 523 523 A R H >< S+ 0 0 18 -4,-1.5 3,-1.3 -5,-0.2 -2,-0.2 0.943 120.2 40.4 -79.5 -51.7 6.4 -14.1 12.2 524 524 A D H 3< S+ 0 0 27 -4,-3.0 -192,-3.2 1,-0.3 -189,-0.2 0.796 116.1 50.7 -69.3 -31.5 6.5 -18.0 11.8 525 525 A G T 3< S+ 0 0 0 -4,-2.5 2,-0.7 -5,-0.2 -1,-0.3 0.227 85.9 101.6 -89.7 11.6 3.9 -18.6 14.4 526 526 A D X - 0 0 0 -3,-1.3 3,-1.8 1,-0.1 6,-0.1 -0.884 52.1-164.5-111.6 114.6 1.3 -16.3 13.0 527 527 A R T 3 S+ 0 0 26 -2,-0.7 -1,-0.1 1,-0.3 -196,-0.1 0.711 94.8 48.1 -67.3 -18.6 -1.6 -17.9 11.0 528 528 A F T 3 S+ 0 0 23 -3,-0.1 -1,-0.3 7,-0.0 -506,-0.1 0.151 74.4 148.1-110.8 15.8 -2.4 -14.4 9.7 529 529 A W X - 0 0 5 -3,-1.8 3,-2.0 -6,-0.2 6,-0.2 -0.303 57.4-121.8 -47.9 132.5 1.1 -13.2 8.7 530 530 A W T 3 S+ 0 0 16 1,-0.3 6,-0.4 -229,-0.1 -1,-0.1 0.794 110.2 47.4 -53.9 -34.3 0.7 -10.9 5.7 531 531 A E T 3 S+ 0 0 72 4,-0.1 -1,-0.3 2,-0.1 -2,-0.1 0.395 80.7 116.2 -90.5 0.2 2.9 -13.1 3.5 532 532 A N S X S- 0 0 26 -3,-2.0 3,-2.2 1,-0.1 4,-0.5 -0.569 80.8-104.2 -72.2 123.3 1.2 -16.4 4.4 533 533 A P T 3 S+ 0 0 90 0, 0.0 4,-0.1 0, 0.0 -1,-0.1 -0.104 105.8 24.7 -47.2 132.3 -0.4 -17.8 1.2 534 534 A G T 3 S+ 0 0 76 2,-0.8 3,-0.1 -3,-0.1 -2,-0.1 0.145 98.8 88.8 97.4 -23.4 -4.1 -17.3 1.3 535 535 A V S < S+ 0 0 19 -3,-2.2 2,-0.3 1,-0.2 -4,-0.1 0.982 105.6 9.5 -71.0 -56.4 -4.1 -14.3 3.7 536 536 A F S S- 0 0 6 -4,-0.5 -2,-0.8 -6,-0.4 -1,-0.2 -0.785 91.3-108.3-110.5 160.4 -3.8 -11.8 0.9 537 537 A T > - 0 0 74 -2,-0.3 4,-2.3 -4,-0.1 5,-0.2 -0.488 35.6-106.1 -78.4 161.5 -4.1 -12.6 -2.8 538 538 A E H > S+ 0 0 141 1,-0.2 4,-1.7 2,-0.2 -1,-0.1 0.844 122.4 51.0 -56.9 -40.1 -1.0 -12.5 -4.8 539 539 A K H > S+ 0 0 151 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.877 108.9 52.5 -61.5 -42.6 -2.0 -9.2 -6.4 540 540 A Q H > S+ 0 0 22 1,-0.2 4,-2.5 2,-0.2 -2,-0.2 0.909 108.7 49.5 -56.0 -46.9 -2.7 -7.7 -3.0 541 541 A R H X S+ 0 0 41 -4,-2.3 4,-1.6 1,-0.2 -1,-0.2 0.838 105.6 57.5 -63.2 -34.4 0.7 -8.7 -1.8 542 542 A D H < S+ 0 0 113 -4,-1.7 4,-0.2 -5,-0.2 -1,-0.2 0.907 110.5 43.5 -62.8 -42.3 2.2 -7.1 -4.9 543 543 A S H >< S+ 0 0 10 -4,-1.9 3,-1.9 1,-0.2 43,-0.2 0.906 110.5 56.1 -63.2 -46.7 0.6 -3.8 -3.9 544 544 A L H >< S+ 0 0 0 -4,-2.5 3,-1.9 1,-0.3 -2,-0.2 0.796 92.4 70.5 -58.6 -29.9 1.6 -4.2 -0.2 545 545 A Q T 3< S+ 0 0 88 -4,-1.6 -1,-0.3 1,-0.3 -2,-0.1 0.694 92.0 59.5 -60.9 -21.8 5.2 -4.6 -1.2 546 546 A K T < S+ 0 0 105 -3,-1.9 -1,-0.3 -4,-0.2 -2,-0.2 0.505 76.6 121.8 -87.5 -9.2 5.3 -0.9 -2.1 547 547 A V < + 0 0 9 -3,-1.9 2,-0.3 -4,-0.2 36,-0.1 -0.142 33.6 168.1 -53.6 151.1 4.3 0.4 1.4 548 548 A S > - 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