==== 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, METAL-BINDING PROTEIN 30-MAR-06 2GJ1 . COMPND 2 MOLECULE: LACTOPEROXIDASE; . SOURCE 2 ORGANISM_SCIENTIFIC: BOS TAURUS; . AUTHOR A.K.SINGH,N.SINGH,S.SHARMA,A.BHUSHAN,T.P.SINGH . 583 1 6 6 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 24953.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 342 58.7 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 7.4 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 . 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 5.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 70 12.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 154 26.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 13 2.2 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 8 1 1 3 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 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 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 V 0 0 171 0, 0.0 2,-0.4 0, 0.0 15,-0.0 0.000 360.0 360.0 360.0 -70.4 -13.8 -16.9 23.3 2 1AA K - 0 0 178 13,-0.0 2,-0.4 2,-0.0 13,-0.0 -0.965 360.0-139.0-133.5 119.4 -15.3 -18.3 20.1 3 1BA a - 0 0 43 -2,-0.4 13,-0.1 1,-0.1 14,-0.0 -0.602 1.8-154.1 -78.9 120.6 -13.3 -19.0 16.8 4 2 A D - 0 0 122 -2,-0.4 2,-1.3 1,-0.1 -1,-0.1 0.577 25.0-153.4 -70.6 -10.9 -15.1 -18.1 13.6 5 3 A E S S+ 0 0 107 1,-0.2 -1,-0.1 2,-0.1 -2,-0.1 0.187 81.3 35.3 62.1 -21.4 -12.9 -20.8 11.9 6 4 A N S S+ 0 0 134 -2,-1.3 -1,-0.2 3,-0.0 -3,-0.0 0.259 78.4 134.5-143.0 15.8 -12.9 -19.3 8.5 7 5 A S - 0 0 38 1,-0.1 4,-0.1 2,-0.1 -2,-0.1 -0.442 50.5-144.7 -65.9 136.0 -12.9 -15.5 9.1 8 6 A P S S+ 0 0 70 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.439 78.0 74.7 -80.0 -0.4 -10.4 -13.7 6.8 9 7 A Y S S- 0 0 35 1,-0.0 -2,-0.1 276,-0.0 274,-0.1 -0.858 83.3-112.5-118.8 148.6 -9.7 -11.3 9.7 10 8 A R - 0 0 36 -2,-0.3 2,-0.1 272,-0.1 6,-0.1 -0.353 34.9-116.3 -67.0 154.8 -7.8 -11.5 13.0 11 9 A T - 0 0 40 4,-0.5 -1,-0.1 1,-0.1 -8,-0.0 -0.393 23.7-115.4 -77.8 171.3 -9.8 -11.3 16.2 12 10 A I S S+ 0 0 28 1,-0.2 160,-0.2 -2,-0.1 -1,-0.1 0.860 112.9 46.5 -75.2 -37.0 -9.1 -8.3 18.5 13 11 A T S S- 0 0 29 13,-0.1 14,-2.9 158,-0.1 -1,-0.2 0.593 110.8-114.1 -83.9 -13.5 -7.7 -10.5 21.3 14 12 A G S > S+ 0 0 3 1,-0.3 3,-0.9 12,-0.2 12,-0.1 0.381 70.3 137.8 93.6 -4.2 -5.3 -12.6 19.2 15 13 A D T 3 + 0 0 27 1,-0.2 -4,-0.5 2,-0.1 -1,-0.3 -0.322 58.5 30.6 -67.7 158.9 -7.3 -15.8 19.9 16 14 A a T 3 S+ 0 0 13 6,-1.6 -1,-0.2 2,-0.3 7,-0.1 0.474 80.7 113.0 74.5 2.6 -7.9 -18.2 17.0 17 15 A N S < S+ 0 0 5 -3,-0.9 2,-0.6 5,-0.5 -2,-0.1 0.962 78.5 47.9 -67.9 -50.8 -4.7 -17.3 15.1 18 16 A N S S- 0 0 3 6,-0.4 -2,-0.3 3,-0.3 6,-0.2 -0.814 76.4-158.8 -91.7 122.9 -3.4 -20.8 15.8 19 17 A R S S+ 0 0 139 -2,-0.6 -1,-0.1 1,-0.2 -16,-0.1 0.876 88.5 45.4 -72.1 -40.8 -6.0 -23.5 15.0 20 18 A R S S+ 0 0 173 1,-0.3 -1,-0.2 301,-0.1 -2,-0.0 0.816 130.9 22.7 -73.7 -29.4 -4.6 -26.3 17.1 21 19 A S S > S- 0 0 52 1,-0.1 3,-2.1 3,-0.1 -3,-0.3 -0.661 73.7-173.6-139.4 80.7 -4.1 -24.1 20.1 22 20 A P T 3 S+ 0 0 58 0, 0.0 -6,-1.6 0, 0.0 -5,-0.5 0.634 78.0 57.2 -55.3 -25.3 -6.3 -21.1 19.9 23 21 A A T > S+ 0 0 27 -8,-0.2 3,-2.2 -7,-0.1 2,-0.2 0.567 74.3 124.0 -85.6 -5.0 -5.0 -19.1 22.9 24 22 A L T < S+ 0 0 41 -3,-2.1 -6,-0.4 1,-0.3 -7,-0.2 -0.349 86.6 1.5 -60.0 116.2 -1.4 -19.0 21.6 25 23 A G T 3 S+ 0 0 2 1,-0.3 148,-2.2 -2,-0.2 149,-0.5 0.428 97.6 142.6 87.6 0.3 -0.2 -15.4 21.3 26 24 A A < - 0 0 5 -3,-2.2 3,-0.5 146,-0.2 -1,-0.3 -0.261 54.7 -98.3 -71.0 160.0 -3.5 -14.0 22.7 27 25 A A S S+ 0 0 8 -14,-2.9 143,-0.2 1,-0.2 145,-0.1 -0.360 100.3 34.4 -77.3 158.6 -3.6 -11.0 25.0 28 26 A N S S+ 0 0 81 141,-2.1 2,-0.3 1,-0.3 -1,-0.2 0.804 92.7 113.7 65.4 32.3 -4.0 -11.2 28.8 29 27 A R E S-A 169 0A 134 140,-1.0 140,-3.0 -3,-0.5 -1,-0.3 -0.802 74.9 -77.8-121.2 169.3 -1.9 -14.4 29.0 30 28 A A E -A 168 0A 29 -2,-0.3 138,-0.2 138,-0.2 2,-0.1 -0.347 45.1-109.2 -67.4 143.9 1.4 -15.1 30.6 31 29 A L - 0 0 6 136,-2.5 297,-0.2 1,-0.1 -1,-0.1 -0.486 44.2-106.0 -62.5 140.1 4.6 -14.0 28.9 32 30 A A B -b 328 0B 2 295,-2.1 297,-2.9 -2,-0.1 2,-0.5 -0.354 26.0-137.7 -67.6 155.1 6.5 -17.1 27.6 33 31 A R - 0 0 53 295,-0.2 4,-0.1 1,-0.1 295,-0.0 -0.970 19.7-178.0-118.4 117.1 9.7 -18.3 29.5 34 32 A W S S+ 0 0 49 -2,-0.5 -1,-0.1 1,-0.2 -2,-0.0 0.715 83.7 22.7 -82.9 -22.6 12.6 -19.3 27.4 35 33 A L S S- 0 0 46 400,-0.0 -1,-0.2 3,-0.0 3,-0.1 -0.962 102.1 -87.1-136.4 152.1 14.4 -20.2 30.7 36 34 A P - 0 0 101 0, 0.0 -2,-0.1 0, 0.0 2,-0.0 -0.236 53.5 -97.4 -57.0 148.4 13.1 -21.0 34.1 37 35 A A - 0 0 23 5,-0.1 2,-0.6 397,-0.1 397,-0.2 -0.302 27.9-144.6 -66.9 150.7 12.4 -18.0 36.4 38 36 A E + 0 0 70 395,-2.4 9,-0.4 -3,-0.1 2,-0.3 -0.916 30.1 161.4-123.0 103.0 15.0 -17.0 39.0 39 37 A Y > - 0 0 9 -2,-0.6 3,-1.5 7,-0.1 392,-0.1 -0.861 50.3-113.6-118.3 155.1 13.5 -15.7 42.2 40 38 A E T 3 S+ 0 0 17 5,-3.1 -1,-0.1 -2,-0.3 14,-0.0 0.823 121.1 30.1 -55.8 -35.5 15.0 -15.3 45.6 41 39 A D T 3 S- 0 0 60 4,-0.6 -1,-0.3 6,-0.0 -3,-0.0 0.160 114.5-111.1-112.1 17.6 12.7 -18.0 47.0 42 40 A G S < S+ 0 0 49 -3,-1.5 -2,-0.1 3,-0.3 -5,-0.1 0.261 105.2 55.1 74.4 -11.1 12.4 -20.0 43.8 43 41 A L S S- 0 0 75 121,-0.1 122,-3.3 2,-0.1 -1,-0.1 0.782 122.9 -29.2-119.2 -46.1 8.7 -18.9 43.4 44 42 A A S S+ 0 0 24 120,-0.2 389,-0.1 1,-0.1 -6,-0.0 0.542 91.6 104.0-155.5 -21.8 7.9 -15.2 43.5 45 43 A L - 0 0 48 1,-0.1 -5,-3.1 388,-0.0 -4,-0.6 -0.655 63.8-127.4 -84.3 131.0 10.3 -13.0 45.5 46 44 A P > - 0 0 0 0, 0.0 3,-1.9 0, 0.0 4,-0.4 -0.364 29.8 -96.2 -76.0 151.6 12.7 -10.9 43.5 47 45 A F T 3 S+ 0 0 30 -9,-0.4 386,-0.1 383,-0.3 7,-0.1 -0.469 116.0 37.5 -62.7 135.5 16.4 -11.0 44.2 48 46 A G T 3 S+ 0 0 24 5,-0.3 -1,-0.3 2,-0.3 3,-0.1 0.340 87.9 103.4 100.2 -5.0 17.1 -8.0 46.5 49 47 A W S < S+ 0 0 34 -3,-1.9 2,-0.8 1,-0.2 -2,-0.1 0.968 78.2 46.2 -72.1 -54.3 13.9 -8.5 48.4 50 48 A T S > S- 0 0 38 -4,-0.4 3,-2.0 3,-0.1 2,-1.4 -0.805 80.1-145.8 -95.5 106.9 15.4 -10.0 51.5 51 49 A Q T 3 S+ 0 0 123 -2,-0.8 3,-0.1 1,-0.3 8,-0.0 -0.631 93.7 44.6 -73.5 98.0 18.4 -8.1 52.6 52 50 A R T 3 S+ 0 0 177 -2,-1.4 2,-0.5 1,-0.5 -1,-0.3 -0.058 90.8 90.2 153.4 -27.5 20.4 -11.1 53.9 53 51 A K < - 0 0 88 -3,-2.0 -1,-0.5 2,-0.0 -5,-0.3 -0.829 65.2-157.0 -92.2 127.8 19.8 -13.5 51.0 54 52 A T - 0 0 62 -2,-0.5 2,-0.6 5,-0.1 5,-0.2 -0.461 17.8-120.4 -99.6 172.9 22.5 -13.3 48.4 55 53 A R B > S-C 58 0C 9 3,-3.5 3,-1.6 -2,-0.1 422,-0.1 -0.961 94.6 -21.3-113.2 113.4 22.6 -14.1 44.7 56 54 A N T 3 S- 0 0 105 -2,-0.6 -1,-0.1 1,-0.3 3,-0.1 0.813 132.3 -46.4 58.2 29.5 25.4 -16.7 44.1 57 55 A G T 3 S+ 0 0 52 1,-0.2 2,-0.3 0, 0.0 -1,-0.3 0.315 123.7 86.8 99.0 -9.6 27.1 -15.6 47.3 58 56 A F B < S-C 55 0C 87 -3,-1.6 -3,-3.5 414,-0.1 -1,-0.2 -0.938 77.3-111.5-127.4 148.8 26.9 -11.8 46.8 59 57 A R - 0 0 167 -2,-0.3 -5,-0.1 -5,-0.2 -8,-0.1 -0.462 38.5-117.0 -67.1 141.7 24.4 -9.1 47.6 60 58 A V - 0 0 26 -2,-0.1 412,-0.1 1,-0.1 3,-0.1 -0.682 33.7-112.5 -81.4 138.5 22.8 -7.6 44.5 61 59 A P - 0 0 13 0, 0.0 -1,-0.1 0, 0.0 410,-0.1 -0.352 38.1 -89.3 -70.9 150.3 23.6 -3.9 44.1 62 60 A L > - 0 0 69 1,-0.1 4,-2.0 -2,-0.1 5,-0.2 -0.313 30.1-129.4 -57.3 137.6 20.9 -1.3 44.4 63 61 A A H > S+ 0 0 3 1,-0.2 4,-1.9 2,-0.2 -1,-0.1 0.912 109.2 48.1 -54.7 -46.2 19.1 -0.5 41.2 64 62 A R H > S+ 0 0 4 67,-0.4 4,-2.5 1,-0.2 -1,-0.2 0.822 107.9 55.2 -69.8 -29.0 19.6 3.2 41.7 65 63 A E H > S+ 0 0 48 2,-0.2 4,-2.1 66,-0.2 5,-0.2 0.898 107.3 48.6 -71.8 -39.3 23.3 2.8 42.6 66 64 A V H X>S+ 0 0 0 -4,-2.0 4,-2.4 2,-0.2 5,-1.1 0.913 111.2 53.7 -62.5 -40.2 24.1 1.0 39.3 67 65 A S H X>S+ 0 0 0 -4,-1.9 5,-1.3 -5,-0.2 4,-0.7 0.951 110.2 45.4 -57.5 -52.6 22.2 3.8 37.6 68 66 A N H <5S+ 0 0 47 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.860 120.6 36.6 -58.8 -41.4 24.4 6.5 39.2 69 67 A K H <5S+ 0 0 114 -4,-2.1 -1,-0.2 -5,-0.1 -2,-0.2 0.794 133.1 16.7 -89.1 -28.5 27.7 4.8 38.6 70 68 A I H <5S+ 0 0 9 -4,-2.4 330,-0.3 -5,-0.2 -3,-0.2 0.798 124.0 43.2-110.5 -46.7 27.3 3.3 35.2 71 69 A V T < + 0 0 52 -2,-0.8 3,-1.2 2,-0.1 4,-0.2 0.613 48.1 111.2 -83.8 -11.3 25.1 15.9 26.0 77 75 A E T 3 S+ 0 0 148 1,-0.2 -2,-0.0 2,-0.1 0, 0.0 -0.402 83.8 8.3 -66.3 135.3 27.6 17.1 23.3 78 76 A G T 3 S+ 0 0 72 -2,-0.1 -1,-0.2 1,-0.1 -2,-0.1 0.479 92.3 114.6 78.5 7.2 28.6 14.6 20.7 79 77 A V < + 0 0 4 -3,-1.2 315,-2.7 2,-0.1 -2,-0.1 0.558 44.3 111.4 -88.5 -8.5 26.1 11.9 21.8 80 78 A L E S-D 393 0D 75 313,-0.2 2,-0.6 -4,-0.2 313,-0.3 -0.326 72.4-114.7 -74.6 146.1 23.9 12.0 18.6 81 79 A D E > - 0 0 4 311,-3.4 3,-1.0 3,-0.2 311,-0.3 -0.684 21.5-157.3 -79.9 115.6 23.6 9.1 16.1 82 80 A Q E 3 S+ 0 0 132 -2,-0.6 -1,-0.1 1,-0.2 475,-0.1 0.606 88.0 36.1 -74.1 -10.1 25.0 10.4 12.8 83 81 A N E 3 S+ 0 0 76 473,-0.1 2,-0.3 1,-0.1 -1,-0.2 0.027 104.0 72.0-133.0 31.4 23.1 7.9 10.6 84 82 A R E < - 0 0 15 -3,-1.0 308,-1.9 472,-0.3 472,-0.3 -0.955 67.5-138.4-144.4 126.8 19.7 7.4 12.3 85 83 A S E >> -D 391 0D 0 470,-1.9 3,-1.2 -2,-0.3 4,-0.7 -0.250 34.2-103.3 -73.3 168.3 16.9 9.9 12.4 86 84 A L H >> S+ 0 0 7 304,-2.2 4,-2.1 301,-0.5 3,-0.6 0.820 120.9 68.3 -59.5 -33.1 14.8 10.5 15.5 87 85 A L H 3> S+ 0 0 4 300,-1.6 4,-2.9 303,-0.3 5,-0.3 0.793 87.6 65.7 -57.3 -29.3 12.1 8.4 13.8 88 86 A F H <> S+ 0 0 0 -3,-1.2 4,-1.1 467,-0.2 -1,-0.2 0.925 106.8 40.8 -62.0 -45.3 14.4 5.4 14.2 89 87 A M H > S+ 0 0 151 -2,-0.3 4,-2.3 1,-0.1 3,-0.5 0.380 87.3 77.3-103.1 0.4 -3.6 3.4 51.4 113 111 A S H 3> S+ 0 0 36 2,-0.2 4,-1.4 1,-0.2 5,-0.2 0.728 87.5 61.6 -77.8 -23.8 -1.0 1.0 50.1 114 112 A K H 34 S+ 0 0 72 1,-0.2 -1,-0.2 2,-0.2 4,-0.2 0.544 113.4 36.7 -76.2 -8.8 -0.4 3.5 47.3 115 113 A T H <>>S+ 0 0 53 -3,-0.5 4,-3.3 3,-0.1 5,-0.7 0.682 109.4 59.3-110.3 -35.8 0.6 5.9 50.1 116 114 A Q H <5S+ 0 0 101 -4,-2.3 6,-1.6 1,-0.2 4,-0.5 0.803 113.2 42.5 -62.9 -28.4 2.4 3.4 52.4 117 115 A b T X5S+ 0 0 1 -4,-1.4 4,-0.7 4,-0.2 -1,-0.2 0.871 120.6 41.8 -81.9 -43.0 4.7 2.7 49.5 118 116 A E T 45S+ 0 0 61 -4,-0.2 -2,-0.2 -5,-0.2 27,-0.2 0.961 123.2 31.2 -67.8 -58.2 5.0 6.4 48.5 119 117 A E T <5S+ 0 0 126 -4,-3.3 -3,-0.2 1,-0.2 25,-0.1 0.810 132.2 24.8 -79.6 -32.4 5.4 8.1 51.9 120 118 A Y T 4 -F 127 0F 26 3,-2.1 3,-2.5 -2,-0.3 2,-0.1 -0.699 65.0 -15.2 166.3 141.2 5.7 -5.4 51.4 125 123 A D T 3 S- 0 0 130 1,-0.3 -1,-0.1 -2,-0.2 25,-0.0 -0.346 132.1 -8.3 55.9-121.4 3.3 -7.2 49.1 126 124 A N T 3 S+ 0 0 33 -2,-0.1 24,-2.6 -20,-0.1 2,-0.5 0.487 114.5 96.5 -85.8 -3.3 3.3 -5.5 45.8 127 125 A b B < +FG 124 149F 3 -3,-2.5 -3,-2.1 22,-0.2 22,-0.2 -0.787 40.7 165.6 -90.0 124.3 5.4 -2.5 47.0 128 126 A F - 0 0 5 20,-2.6 -5,-0.1 -2,-0.5 303,-0.1 -0.670 26.2-152.9-139.5 76.6 9.1 -3.1 46.1 129 127 A P - 0 0 6 0, 0.0 2,-0.8 0, 0.0 -6,-0.0 -0.087 14.8-129.0 -62.7 146.7 10.7 0.4 46.6 130 128 A I E -H 146 0G 2 16,-2.8 16,-2.7 -68,-0.1 2,-0.2 -0.873 32.6-152.4 -93.2 107.1 13.8 1.6 44.8 131 129 A M E -H 145 0G 70 -2,-0.8 -67,-0.4 14,-0.2 14,-0.2 -0.582 11.0-121.6 -82.6 141.5 16.0 2.9 47.7 132 130 A F - 0 0 16 12,-1.9 3,-0.1 -2,-0.2 2,-0.1 -0.631 25.1-128.6 -81.7 140.5 18.5 5.6 47.2 133 131 A P > - 0 0 10 0, 0.0 3,-1.4 0, 0.0 6,-0.2 -0.316 43.7 -70.4 -76.2 170.9 22.2 4.8 48.1 134 132 A K T 3 S+ 0 0 177 1,-0.2 0, 0.0 -2,-0.1 0, 0.0 -0.345 119.9 19.7 -64.4 139.4 24.3 7.0 50.3 135 133 A N T 3 S+ 0 0 138 1,-0.3 -1,-0.2 -3,-0.1 3,-0.0 0.580 82.1 148.1 77.1 11.1 25.2 10.4 48.8 136 134 A D X> - 0 0 3 -3,-1.4 3,-1.6 1,-0.1 4,-0.6 -0.667 49.3-138.2 -75.7 127.6 22.4 10.4 46.2 137 135 A P H >> S+ 0 0 92 0, 0.0 3,-0.6 0, 0.0 4,-0.6 0.768 99.9 67.2 -56.6 -28.2 21.3 14.0 45.6 138 136 A K H 3>>S+ 0 0 16 1,-0.2 4,-3.1 2,-0.2 5,-1.5 0.718 88.1 66.9 -68.6 -20.8 17.7 12.8 45.6 139 137 A L H <45S+ 0 0 69 -3,-1.6 -1,-0.2 1,-0.2 6,-0.1 0.904 101.4 48.0 -60.8 -42.7 17.9 11.9 49.2 140 138 A K H <<5S+ 0 0 195 -3,-0.6 -1,-0.2 -4,-0.6 -2,-0.2 0.722 128.3 21.5 -70.1 -19.1 18.3 15.6 50.1 141 139 A T H <5S+ 0 0 116 -4,-0.6 -2,-0.2 -3,-0.3 -1,-0.2 0.601 128.3 28.9-132.2 -17.3 15.4 16.6 47.9 142 140 A Q T <5S- 0 0 64 -4,-3.1 2,-0.3 1,-0.4 -3,-0.2 0.761 100.3 -97.5-118.7 -48.3 12.9 13.9 47.2 143 141 A G < - 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0 0 0 -3,-2.0 -395,-2.4 1,-0.2 -3,-0.2 0.865 45.0-175.1 64.6 41.9 12.6 -13.1 37.8 434 430 A M < - 0 0 7 -5,-2.1 -1,-0.2 -397,-0.2 2,-0.1 -0.449 24.0-125.3 -70.6 134.2 15.2 -12.7 35.1 435 431 A P - 0 0 1 0, 0.0 45,-0.4 0, 0.0 -1,-0.1 -0.393 42.5 -95.8 -62.8 159.3 18.1 -15.1 34.9 436 432 A G > - 0 0 3 40,-0.1 4,-1.4 43,-0.1 3,-0.2 -0.046 36.9 -87.6 -77.8-178.8 21.5 -13.2 34.9 437 433 A Y H > S+ 0 0 1 41,-1.9 4,-2.1 38,-0.3 3,-0.2 0.871 122.0 47.9 -57.9 -48.5 23.8 -12.1 32.1 438 434 A N H > S+ 0 0 0 37,-0.6 4,-2.4 1,-0.2 -1,-0.2 0.826 106.2 57.7 -67.7 -30.3 25.8 -15.2 31.7 439 435 A S H > S+ 0 0 39 37,-0.3 4,-1.7 -3,-0.2 -1,-0.2 0.879 110.4 44.4 -69.3 -32.2 22.8 -17.5 31.7 440 436 A W H X S+ 0 0 4 -4,-1.4 4,-1.4 -3,-0.2 -2,-0.2 0.836 109.0 56.1 -77.8 -34.1 21.6 -15.5 28.6 441 437 A R H <>S+ 0 0 16 -4,-2.1 5,-2.9 2,-0.2 3,-0.4 0.947 109.0 48.4 -57.3 -48.0 25.0 -15.6 27.0 442 438 A G H ><5S+ 0 0 31 -4,-2.4 3,-2.1 1,-0.2 -2,-0.2 0.940 106.5 56.1 -57.3 -48.7 24.9 -19.4 27.3 443 439 A F H 3<5S+ 0 0 56 -4,-1.7 -1,-0.2 1,-0.3 -2,-0.2 0.832 111.3 44.3 -50.8 -36.3 21.4 -19.5 25.8 444 440 A e T 3<5S- 0 0 12 -4,-1.4 -1,-0.3 -3,-0.4 -2,-0.2 0.389 118.5-111.9 -93.6 3.0 22.7 -17.7 22.8 445 441 A G T < 5S+ 0 0 66 -3,-2.1 2,-0.3 -4,-0.3 -3,-0.2 0.850 72.7 133.8 72.1 33.2 25.8 -19.8 22.5 446 442 A L < - 0 0 52 -5,-2.9 -1,-0.3 -6,-0.1 -2,-0.1 -0.783 62.9 -85.1-111.7 161.4 28.2 -17.0 23.4 447 443 A S - 0 0 73 -2,-0.3 -1,-0.1 -3,-0.1 -3,-0.1 -0.184 32.5-139.4 -63.0 156.5 31.1 -17.1 25.9 448 444 A Q - 0 0 96 -7,-0.1 -1,-0.1 -6,-0.0 7,-0.1 -0.862 15.4-147.5-124.2 94.5 30.4 -16.6 29.6 449 445 A P + 0 0 11 0, 0.0 -11,-0.1 0, 0.0 3,-0.0 -0.326 18.5 178.9 -64.3 139.8 33.1 -14.4 31.2 450 446 A K + 0 0 116 25,-0.1 2,-0.3 24,-0.1 26,-0.1 0.518 61.3 53.2-116.9 -12.3 33.9 -15.2 34.9 451 447 A T S > S- 0 0 81 1,-0.1 4,-2.7 23,-0.1 5,-0.2 -0.777 86.8-108.0-124.0 166.1 36.7 -12.7 35.6 452 448 A L H > S+ 0 0 64 -2,-0.3 4,-2.6 1,-0.2 5,-0.2 0.939 122.9 48.9 -51.8 -50.4 37.3 -9.0 35.3 453 449 A K H > S+ 0 0 143 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.812 109.2 51.6 -65.5 -32.1 39.7 -9.7 32.4 454 450 A G H > S+ 0 0 21 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.934 112.5 46.1 -67.5 -43.2 37.1 -12.0 30.7 455 451 A L H X S+ 0 0 1 -4,-2.7 4,-2.9 1,-0.2 5,-0.3 0.866 108.7 56.2 -67.7 -35.7 34.5 -9.2 31.0 456 452 A Q H X>S+ 0 0 31 -4,-2.6 4,-1.7 1,-0.2 5,-1.0 0.922 108.3 48.3 -59.2 -46.7 37.0 -6.6 29.7 457 453 A T H <5S+ 0 0 94 -4,-1.7 -1,-0.2 2,-0.2 -2,-0.2 0.896 114.3 44.4 -64.4 -41.9 37.5 -8.6 26.6 458 454 A V H <5S+ 0 0 28 -4,-1.9 -2,-0.2 1,-0.2 -1,-0.2 0.930 121.8 37.8 -69.0 -44.8 33.8 -9.2 25.9 459 455 A L H <5S- 0 0 2 -4,-2.9 -2,-0.2 -5,-0.2 -1,-0.2 0.658 97.1-141.6 -79.4 -15.9 32.8 -5.5 26.6 460 456 A K T <5S+ 0 0 175 -4,-1.7 2,-0.3 -5,-0.3 -3,-0.2 0.851 71.4 101.2 53.2 38.7 36.1 -4.3 24.9 461 457 A N >< - 0 0 22 -5,-1.0 4,-1.5 -6,-0.2 -2,-0.2 -0.891 55.3-165.4-155.6 116.0 36.2 -1.7 27.7 462 458 A K H > S+ 0 0 135 -2,-0.3 4,-2.0 2,-0.2 5,-0.1 0.906 90.2 46.6 -69.5 -46.8 38.3 -1.8 30.8 463 459 A I H > S+ 0 0 94 2,-0.2 4,-2.2 1,-0.2 5,-0.2 0.921 112.7 48.4 -66.2 -47.2 36.6 0.9 32.8 464 460 A L H > S+ 0 0 6 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.944 112.3 49.6 -59.1 -47.7 33.1 -0.3 32.2 465 461 A A H X S+ 0 0 0 -4,-1.5 4,-2.2 1,-0.2 -1,-0.2 0.893 111.0 50.0 -58.8 -41.6 34.0 -3.9 33.1 466 462 A K H X S+ 0 0 99 -4,-2.0 4,-2.3 2,-0.2 -1,-0.2 0.878 110.0 48.9 -65.3 -43.6 35.7 -2.8 36.4 467 463 A K H X S+ 0 0 88 -4,-2.2 4,-1.4 1,-0.2 5,-0.2 0.927 112.3 50.2 -62.9 -44.1 32.7 -0.7 37.5 468 464 A L H X S+ 0 0 2 -4,-2.4 4,-2.7 -5,-0.2 5,-0.4 0.900 110.8 48.4 -61.0 -41.1 30.5 -3.6 36.8 469 465 A M H X S+ 0 0 31 -4,-2.2 4,-2.9 1,-0.2 -2,-0.2 0.931 107.8 54.3 -66.8 -44.4 32.7 -6.0 38.8 470 466 A D H < S+ 0 0 112 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.806 118.0 36.4 -59.5 -31.6 32.9 -3.7 41.8 471 467 A L H < S+ 0 0 18 -4,-1.4 -2,-0.2 -5,-0.2 -1,-0.2 0.862 131.0 26.6 -87.5 -40.8 29.1 -3.5 42.0 472 468 A Y H < S- 0 0 1 -4,-2.7 2,-0.6 -5,-0.2 -3,-0.2 0.692 80.2-152.7 -99.5 -23.9 28.1 -7.1 41.0 473 469 A K S < S+ 0 0 106 -4,-2.9 -4,-0.1 -5,-0.4 -3,-0.1 0.072 78.2 41.3 75.5 -27.4 31.1 -9.1 42.1 474 470 A T S > S- 0 0 20 -2,-0.6 3,-2.4 -6,-0.2 4,-0.4 -0.959 76.3-132.5-152.3 133.7 30.4 -11.7 39.4 475 471 A P G > S+ 0 0 0 0, 0.0 3,-0.8 0, 0.0 -37,-0.6 0.716 105.7 71.5 -58.6 -20.9 29.3 -11.4 35.8 476 472 A D G 3 S+ 0 0 43 1,-0.2 -37,-0.3 -39,-0.2 -40,-0.1 0.803 97.0 50.2 -60.5 -32.3 26.7 -14.1 36.7 477 473 A N G < S+ 0 0 1 -3,-2.4 -1,-0.2 -41,-0.2 2,-0.2 0.547 79.4 120.8 -87.5 -6.0 24.8 -11.5 38.8 478 474 A I < - 0 0 2 -3,-0.8 -41,-1.9 -4,-0.4 -40,-0.1 -0.380 69.8-115.3 -65.0 125.8 24.6 -8.8 36.1 479 475 A D > - 0 0 5 -2,-0.2 4,-2.6 -43,-0.2 3,-0.4 -0.328 21.8-124.8 -61.4 141.0 21.0 -7.8 35.3 480 476 A I H > S+ 0 0 2 -45,-0.4 4,-3.0 1,-0.2 5,-0.3 0.870 103.9 60.4 -58.7 -40.1 20.2 -8.6 31.7 481 477 A W H > S+ 0 0 3 1,-0.2 4,-1.1 2,-0.2 -1,-0.2 0.910 115.9 31.1 -57.1 -47.2 19.1 -5.1 30.8 482 478 A I H > S+ 0 0 0 -3,-0.4 4,-1.4 2,-0.2 -1,-0.2 0.893 118.2 55.3 -81.9 -36.8 22.4 -3.5 31.5 483 479 A G H < S+ 0 0 3 -4,-2.6 4,-0.5 1,-0.2 3,-0.3 0.931 111.4 44.2 -57.4 -49.0 24.5 -6.5 30.6 484 480 A G H >< S+ 0 0 0 -4,-3.0 3,-0.6 -5,-0.2 12,-0.4 0.853 114.6 48.6 -65.9 -35.0 23.0 -6.7 27.1 485 481 A N H 3< S+ 0 0 8 -4,-1.1 -1,-0.2 -5,-0.3 -2,-0.2 0.675 100.5 66.2 -80.8 -15.6 23.2 -2.9 26.5 486 482 A A T 3< S+ 0 0 0 -4,-1.4 -1,-0.2 -3,-0.3 -2,-0.2 0.651 79.9 100.2 -79.4 -15.5 26.9 -2.7 27.6 487 483 A E S < S- 0 0 4 -3,-0.6 9,-0.2 -4,-0.5 -28,-0.1 -0.477 83.3-104.2 -75.5 141.4 28.1 -4.8 24.7 488 484 A P - 0 0 45 0, 0.0 -1,-0.1 0, 0.0 6,-0.1 -0.254 46.9 -97.1 -61.9 149.7 29.7 -3.1 21.7 489 485 A M - 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