==== 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 27-NOV-09 3KU9 . COMPND 2 MOLECULE: POLYAMINE OXIDASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ZEA MAYS; . AUTHOR A.FIORILLO,A.ILARI,P.TAVLADORAKI . 932 2 2 2 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 35521.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 638 68.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 54 5.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 125 13.4 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 3 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 6 0.6 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 . 85 9.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 75 8.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 249 26.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 12 1.3 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 2 2 4 1 3 5 3 0 1 1 0 2 0 0 0 2 0 0 0 1 1 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 3 5 3 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 PARALLEL BRIDGES PER LADDER . 10 0 9 7 0 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 ANTIPARALLEL BRIDGES PER LADDER . 4 2 2 0 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 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 2 A T 0 0 122 0, 0.0 2,-0.3 0, 0.0 26,-0.1 0.000 360.0 360.0 360.0 -3.6 -48.6 21.2 68.4 2 3 A V + 0 0 133 2,-0.1 26,-0.2 0, 0.0 27,-0.1 -0.902 360.0 44.1-154.7 122.6 -50.4 21.9 71.7 3 4 A G S S+ 0 0 48 -2,-0.3 24,-0.0 24,-0.1 23,-0.0 -0.939 102.7 1.6 135.0-157.6 -53.5 24.0 72.0 4 5 A P - 0 0 50 0, 0.0 25,-0.5 0, 0.0 2,-0.5 -0.205 67.3-137.1 -63.9 155.8 -56.5 23.9 69.8 5 6 A R E -a 29 0A 70 23,-0.1 254,-2.3 22,-0.0 255,-1.8 -0.960 16.6-171.0-120.4 123.2 -56.7 21.4 67.0 6 7 A V E -ab 30 260A 0 23,-1.8 25,-1.9 -2,-0.5 2,-0.5 -0.968 10.0-154.8-111.6 127.9 -57.9 22.2 63.5 7 8 A I E -ab 31 261A 0 253,-2.4 255,-2.9 -2,-0.5 2,-0.6 -0.926 11.8-155.3 -93.9 123.2 -58.5 19.5 60.8 8 9 A V E -ab 32 262A 0 23,-2.4 25,-2.0 -2,-0.5 2,-0.9 -0.892 7.4-144.0 -99.7 118.1 -58.3 21.0 57.3 9 10 A V E +ab 33 263A 10 253,-4.2 255,-2.5 -2,-0.6 256,-0.3 -0.755 68.4 14.1 -83.4 108.2 -60.2 19.0 54.6 10 11 A G - 0 0 9 23,-2.3 24,-0.2 -2,-0.9 23,-0.1 0.343 58.8-133.1 103.7 134.6 -58.2 19.1 51.4 11 12 A A + 0 0 0 27,-0.2 29,-2.9 4,-0.2 30,-0.1 -0.071 63.7 121.5-110.7 30.2 -54.6 20.0 50.4 12 13 A G B > S-f 40 0B 13 27,-0.2 4,-2.8 28,-0.2 5,-0.3 -0.025 86.5 -75.1 -67.0-172.2 -55.5 22.2 47.3 13 14 A M H > S+ 0 0 10 27,-0.5 4,-2.6 2,-0.2 5,-0.1 0.897 134.0 42.7 -60.6 -45.3 -54.4 25.8 47.2 14 15 A S H > S+ 0 0 7 2,-0.2 4,-2.8 1,-0.2 5,-0.2 0.914 113.8 52.8 -70.0 -40.0 -57.0 27.2 49.7 15 16 A G H > S+ 0 0 0 2,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.938 115.2 40.6 -53.9 -51.9 -56.4 24.2 52.0 16 17 A I H X S+ 0 0 0 -4,-2.8 4,-2.1 2,-0.2 -2,-0.2 0.943 115.2 51.7 -62.2 -48.4 -52.6 24.8 52.0 17 18 A S H X S+ 0 0 3 -4,-2.6 4,-1.7 -5,-0.3 -2,-0.2 0.858 111.5 47.3 -59.6 -40.1 -53.1 28.6 52.2 18 19 A A H X S+ 0 0 0 -4,-2.8 4,-2.4 2,-0.2 -1,-0.2 0.966 110.3 50.5 -62.0 -53.8 -55.4 28.3 55.2 19 20 A A H X S+ 0 0 0 -4,-2.2 4,-2.3 1,-0.2 -2,-0.2 0.783 108.9 54.5 -61.0 -30.6 -53.2 25.9 57.1 20 21 A K H X S+ 0 0 31 -4,-2.1 4,-2.8 2,-0.2 -1,-0.2 0.958 109.7 44.1 -63.8 -54.7 -50.2 28.2 56.6 21 22 A R H X S+ 0 0 65 -4,-1.7 4,-1.2 1,-0.2 -2,-0.2 0.824 114.5 52.4 -61.0 -32.4 -51.9 31.3 58.1 22 23 A L H X>S+ 0 0 0 -4,-2.4 5,-1.5 2,-0.2 4,-0.6 0.942 109.8 46.9 -68.1 -47.1 -53.1 29.0 60.8 23 24 A S H ><5S+ 0 0 24 -4,-2.3 3,-1.3 1,-0.2 -2,-0.2 0.919 111.5 52.6 -59.3 -44.1 -49.6 27.8 61.6 24 25 A E H 3<5S+ 0 0 112 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.761 104.1 55.4 -64.1 -29.7 -48.3 31.4 61.5 25 26 A A H 3<5S- 0 0 27 -4,-1.2 -1,-0.3 -3,-0.4 -2,-0.2 0.617 128.7 -96.4 -78.6 -13.0 -50.9 32.6 64.0 26 27 A G T <<5S+ 0 0 48 -3,-1.3 2,-1.6 -4,-0.6 -3,-0.2 0.114 91.0 123.6 113.5 -20.2 -49.7 29.9 66.4 27 28 A I < + 0 0 4 -5,-1.5 -2,-0.2 -6,-0.2 -1,-0.2 -0.585 24.2 148.9 -74.2 88.2 -52.4 27.2 65.5 28 29 A T + 0 0 38 -2,-1.6 2,-2.0 -26,-0.2 -1,-0.2 0.504 37.0 97.8-107.7 -8.3 -49.9 24.6 64.6 29 30 A D E +a 5 0A 37 -25,-0.5 -23,-1.8 -3,-0.2 2,-0.4 -0.540 60.7 156.4 -78.2 75.3 -51.9 21.5 65.7 30 31 A L E -a 6 0A 2 -2,-2.0 2,-0.5 -25,-0.2 -23,-0.2 -0.849 34.0-169.1-114.5 137.8 -53.1 20.9 62.2 31 32 A L E -a 7 0A 10 -25,-1.9 -23,-2.4 -2,-0.4 2,-0.8 -0.939 8.5-165.9-121.9 110.1 -54.3 17.8 60.4 32 33 A I E -ac 8 230A 0 197,-2.9 199,-3.4 -2,-0.5 2,-0.8 -0.844 2.8-164.8 -92.9 109.3 -54.6 18.1 56.6 33 34 A L E -ac 9 231A 1 -25,-2.0 -23,-2.3 -2,-0.8 2,-0.6 -0.839 7.4-168.5 -93.1 109.6 -56.6 15.2 55.2 34 35 A E - 0 0 9 197,-3.0 200,-3.1 -2,-0.8 199,-0.2 -0.890 15.5-151.9-104.7 120.8 -56.1 15.1 51.4 35 36 A A S S+ 0 0 21 -2,-0.6 200,-0.2 198,-0.3 -1,-0.1 0.852 78.0 48.1 -58.0 -43.8 -58.4 12.8 49.3 36 37 A T S S- 0 0 15 2,-0.3 197,-3.6 197,-0.1 198,-0.4 -0.176 97.8 -98.5 -89.6-171.0 -55.9 12.2 46.5 37 38 A D S S+ 0 0 103 195,-0.2 2,-0.3 196,-0.1 195,-0.1 0.129 100.5 44.2 -96.8 17.7 -52.2 11.1 46.6 38 39 A H S S- 0 0 26 0, 0.0 3,-0.3 0, 0.0 -2,-0.3 -0.990 75.5-120.9-157.9 152.1 -50.9 14.6 46.1 39 40 A I S S+ 0 0 4 -2,-0.3 -27,-0.2 1,-0.2 170,-0.1 -0.359 79.5 68.6 -80.6 169.6 -51.4 18.2 47.2 40 41 A G B > -f 12 0B 1 -29,-2.9 3,-1.9 -2,-0.1 -27,-0.5 0.006 66.8-162.2 109.1 -26.1 -52.3 21.1 44.8 41 42 A G T 3 S+ 0 0 4 -3,-0.3 15,-0.1 1,-0.3 164,-0.1 -0.267 75.6 12.9 63.5-115.2 -55.8 20.1 43.8 42 43 A R T 3 S+ 0 0 50 -2,-0.2 15,-2.0 1,-0.1 2,-0.7 0.296 114.0 81.4 -87.9 9.2 -57.0 21.8 40.7 43 44 A M < + 0 0 4 -3,-1.9 2,-0.4 13,-0.2 -1,-0.1 -0.887 68.2 147.0-103.4 94.1 -53.4 23.0 40.0 44 45 A H - 0 0 49 -2,-0.7 11,-2.9 13,-0.1 12,-1.2 -0.976 32.7-161.8-142.7 122.2 -52.2 19.7 38.4 45 46 A K E -G 54 0C 52 -2,-0.4 2,-0.3 9,-0.3 9,-0.2 -0.445 12.3-177.3 -92.0 169.9 -49.7 18.9 35.7 46 47 A T E -G 53 0C 45 7,-2.2 7,-3.0 -2,-0.1 2,-0.6 -0.978 33.0 -94.7-163.9 156.3 -49.4 15.7 33.7 47 48 A N E +G 52 0C 102 -2,-0.3 2,-0.5 5,-0.2 5,-0.3 -0.716 40.5 172.6 -83.4 115.3 -47.3 14.1 31.0 48 49 A F E > -G 51 0C 7 3,-3.3 3,-2.6 -2,-0.6 2,-0.2 -0.994 67.6 -31.8-122.3 128.6 -48.7 14.5 27.5 49 50 A A T 3 S- 0 0 35 -2,-0.5 254,-0.0 1,-0.3 292,-0.0 -0.518 125.5 -38.4 61.2-127.5 -46.6 13.4 24.6 50 51 A G T 3 S+ 0 0 66 -2,-0.2 -1,-0.3 291,-0.1 2,-0.2 0.305 125.9 82.1-107.7 7.1 -43.2 14.0 26.0 51 52 A I E < S-G 48 0C 29 -3,-2.6 -3,-3.3 290,-0.1 2,-0.6 -0.661 78.0-116.1-109.5 165.2 -44.1 17.2 27.7 52 53 A N E +G 47 0C 38 -5,-0.3 2,-0.3 -2,-0.2 -5,-0.2 -0.900 39.1 176.3 -93.5 122.1 -45.7 18.3 30.9 53 54 A V E -G 46 0C 1 -7,-3.0 -7,-2.2 -2,-0.6 2,-0.4 -0.791 30.1-105.0-119.0 168.6 -49.0 20.1 30.4 54 55 A E E -G 45 0C 7 -2,-0.3 -9,-0.3 -9,-0.2 4,-0.1 -0.789 22.2-177.2 -96.3 130.7 -51.6 21.4 32.8 55 56 A L S S+ 0 0 26 -11,-2.9 244,-0.3 -2,-0.4 -10,-0.2 0.742 81.0 26.5 -85.0 -34.3 -55.0 19.7 33.4 56 57 A G S S+ 0 0 13 -12,-1.2 -13,-0.2 1,-0.3 -2,-0.1 0.227 119.6 2.6 -99.8-136.1 -56.2 22.5 35.8 57 58 A A + 0 0 31 -15,-2.0 -1,-0.3 1,-0.1 147,-0.2 -0.215 51.6 168.6 -57.0 138.9 -55.2 26.1 36.0 58 59 A N + 0 0 3 -3,-0.1 140,-2.4 -4,-0.1 2,-0.3 0.447 52.9 65.3-127.8 -14.4 -52.8 27.3 33.4 59 60 A W E -H 197 0D 22 138,-0.2 2,-0.7 24,-0.1 380,-0.2 -0.826 60.9-143.6-119.7 152.6 -52.9 31.1 33.8 60 61 A V E -H 196 0D 1 136,-2.0 136,-1.9 -2,-0.3 2,-0.5 -0.959 37.4-160.8-103.1 104.8 -52.0 33.8 36.3 61 62 A E E +H 195 0D 34 -2,-0.7 134,-0.2 134,-0.2 379,-0.1 -0.808 59.8 34.4 -98.6 126.1 -55.0 36.0 35.5 62 63 A G E S+ 0 0 0 132,-2.3 2,-0.3 -2,-0.5 7,-0.2 0.796 71.6 150.6 93.8 83.9 -54.8 39.7 36.5 63 64 A V E +H 194 0D 2 131,-0.7 131,-1.6 1,-0.1 -1,-0.1 -0.929 50.6 33.0-135.3 156.2 -51.2 41.0 36.2 64 65 A N S S+ 0 0 103 -2,-0.3 128,-0.3 128,-0.2 129,-0.2 0.704 91.0 113.5 76.4 21.7 -49.8 44.4 35.4 65 66 A G S S- 0 0 38 126,-2.0 -1,-0.2 2,-0.4 126,-0.1 -0.281 83.9 -67.9-113.0-161.8 -52.5 46.5 37.1 66 67 A G S S+ 0 0 79 123,-0.4 2,-0.3 -2,-0.1 125,-0.2 0.766 114.7 37.3 -62.0 -30.9 -53.1 48.8 40.1 67 68 A K S S- 0 0 138 123,-2.0 2,-0.6 122,-0.1 -2,-0.4 -0.945 89.3-106.9-128.1 147.4 -52.6 46.1 42.7 68 69 A M - 0 0 122 -2,-0.3 -5,-0.1 -4,-0.1 124,-0.1 -0.601 26.3-134.9 -76.1 115.4 -50.2 43.2 42.9 69 70 A N > - 0 0 2 -2,-0.6 3,-1.0 122,-0.4 -5,-0.1 -0.610 16.7-138.2 -66.0 122.5 -51.8 39.8 42.4 70 71 A P T 3> S+ 0 0 30 0, 0.0 4,-0.9 0, 0.0 -1,-0.2 0.763 99.9 57.9 -64.2 -26.6 -50.3 37.7 45.2 71 72 A I H 3> S+ 0 0 0 1,-0.2 4,-2.2 2,-0.1 5,-0.2 0.900 96.4 67.1 -65.3 -36.5 -49.8 34.7 42.9 72 73 A W H <> S+ 0 0 26 -3,-1.0 4,-3.3 1,-0.2 5,-0.5 0.886 95.9 48.4 -58.9 -54.5 -47.7 36.7 40.5 73 74 A P H >>S+ 0 0 49 0, 0.0 4,-2.6 0, 0.0 5,-1.9 0.925 112.8 50.8 -49.6 -45.9 -44.6 37.4 42.7 74 75 A I H <>S+ 0 0 15 -4,-0.9 5,-2.9 3,-0.2 6,-0.4 0.923 118.1 38.9 -58.7 -47.4 -44.4 33.7 43.7 75 76 A V H <5S+ 0 0 0 -4,-2.2 6,-2.9 3,-0.2 -1,-0.2 0.973 126.2 32.0 -65.2 -61.3 -44.6 32.6 40.0 76 77 A N H <5S+ 0 0 71 -4,-3.3 -2,-0.2 4,-0.2 -1,-0.1 0.810 134.4 16.7 -76.3 -32.7 -42.4 35.3 38.3 77 78 A S T <5S+ 0 0 68 -4,-2.6 -3,-0.2 -5,-0.5 -2,-0.1 0.849 124.2 41.5-106.5 -59.5 -39.8 36.0 41.0 78 79 A T T + 0 0 48 -2,-0.6 3,-1.5 1,-0.2 -1,-0.1 0.383 49.6 105.5 -97.7 4.0 -55.4 38.3 22.0 89 90 A D T 3 S+ 0 0 123 1,-0.2 3,-0.3 2,-0.1 -1,-0.2 0.641 77.7 50.7 -55.8 -21.0 -54.9 41.3 19.8 90 91 A Y T > + 0 0 66 -3,-0.5 3,-1.9 1,-0.2 4,-0.3 0.385 68.0 113.7-104.8 6.4 -55.0 39.3 16.6 91 92 A L G X S+ 0 0 13 -3,-1.5 3,-2.1 1,-0.3 228,-0.3 0.768 70.3 65.1 -57.0 -31.2 -58.1 37.3 17.0 92 93 A A G > S+ 0 0 2 1,-0.3 3,-0.7 -3,-0.3 -1,-0.3 0.864 101.9 50.4 -56.5 -39.5 -59.8 39.1 14.0 93 94 A Q G < S+ 0 0 63 -3,-1.9 -1,-0.3 1,-0.2 -2,-0.2 0.524 111.7 52.0 -68.6 -8.1 -57.1 37.6 11.7 94 95 A N G < + 0 0 0 -3,-2.1 225,-2.1 -4,-0.3 2,-0.6 -0.021 68.8 117.2-135.1 30.4 -57.8 34.1 13.1 95 96 A V E < -j 319 0E 0 -3,-0.7 8,-2.7 223,-0.2 2,-0.4 -0.911 51.9-143.9-105.7 119.7 -61.5 33.2 13.0 96 97 A Y E -jK 320 102E 10 223,-3.4 225,-2.3 -2,-0.6 6,-0.3 -0.698 10.8-123.0 -91.5 128.0 -62.3 30.2 10.8 97 98 A K E -j 321 0E 76 4,-2.9 3,-0.3 -2,-0.4 225,-0.1 -0.420 28.7-115.9 -54.7 135.8 -65.4 29.8 8.7 98 99 A E S S+ 0 0 59 223,-0.6 2,-0.5 1,-0.3 3,-0.1 0.828 110.6 32.3 -49.1 -42.3 -67.3 26.6 9.5 99 100 A D S S- 0 0 102 1,-0.2 -1,-0.3 2,-0.1 276,-0.1 -0.917 128.0 -8.3-119.4 104.5 -66.5 25.4 6.0 100 101 A G S S- 0 0 28 274,-1.8 -1,-0.2 -2,-0.5 275,-0.2 0.944 95.2 -40.7 84.1 94.3 -63.2 26.6 4.6 101 102 A G S S- 0 0 24 274,-0.7 -4,-2.9 273,-0.4 -2,-0.1 0.310 79.6 -23.5 76.2 179.1 -60.7 29.0 5.9 102 103 A V B -K 96 0E 56 -6,-0.3 -6,-0.2 1,-0.1 3,-0.1 -0.291 51.7-119.2 -80.7 150.8 -60.6 32.4 7.6 103 104 A Y - 0 0 45 -8,-2.7 2,-0.4 1,-0.1 -8,-0.2 -0.266 48.0 -80.4 -70.3 167.4 -63.0 35.3 7.7 104 105 A D >> - 0 0 93 1,-0.1 4,-2.1 2,-0.0 3,-0.5 -0.608 38.7-139.5 -67.2 122.8 -62.2 38.7 6.4 105 106 A E H 3> S+ 0 0 80 -2,-0.4 4,-3.2 1,-0.3 5,-0.2 0.910 101.6 52.4 -51.7 -49.7 -60.2 40.4 9.2 106 107 A D H 3> S+ 0 0 120 1,-0.2 4,-1.0 2,-0.2 -1,-0.3 0.812 110.2 50.3 -59.4 -35.8 -61.9 43.8 8.7 107 108 A Y H X> S+ 0 0 95 -3,-0.5 4,-1.6 2,-0.2 3,-0.7 0.975 113.1 42.4 -65.3 -61.6 -65.3 42.0 9.0 108 109 A V H 3X S+ 0 0 0 -4,-2.1 4,-3.1 1,-0.2 5,-0.2 0.910 108.1 61.3 -50.6 -50.3 -64.5 40.1 12.2 109 110 A Q H 3X S+ 0 0 57 -4,-3.2 4,-3.0 -5,-0.2 -1,-0.2 0.845 104.0 50.8 -49.5 -37.1 -62.8 43.2 13.7 110 111 A K H X S+ 0 0 20 -4,-2.2 4,-0.7 1,-0.2 3,-0.6 0.846 106.7 58.5 -61.3 -39.7 -74.9 49.8 33.8 126 127 A S H >< S+ 0 0 10 -4,-2.1 3,-0.9 1,-0.2 -1,-0.2 0.873 101.2 54.9 -60.0 -40.9 -73.5 47.4 36.3 127 128 A A H 3< S+ 0 0 87 -4,-1.6 -1,-0.2 1,-0.3 -2,-0.2 0.747 105.2 53.9 -68.5 -23.7 -71.9 50.2 38.3 128 129 A T H << S+ 0 0 86 -4,-0.8 -1,-0.3 -3,-0.6 -2,-0.2 0.698 87.2 107.0 -80.4 -19.1 -75.3 51.9 38.6 129 130 A L S << S- 0 0 14 -3,-0.9 2,-0.1 -4,-0.7 7,-0.1 -0.256 80.1 -99.0 -67.3 145.6 -77.0 48.7 40.0 130 131 A H > - 0 0 111 1,-0.1 3,-2.2 2,-0.1 5,-0.3 -0.367 26.2-123.8 -64.4 143.0 -78.0 48.5 43.8 131 132 A A T 3 S+ 0 0 92 1,-0.3 280,-0.3 2,-0.2 -1,-0.1 0.629 110.9 61.4 -69.6 -15.9 -75.6 46.7 46.1 132 133 A S T 3 S- 0 0 66 279,-0.1 -1,-0.3 278,-0.1 280,-0.2 0.457 109.9-125.2 -76.2 -0.5 -78.3 44.3 47.2 133 134 A G X + 0 0 17 -3,-2.2 3,-1.2 277,-0.1 -2,-0.2 0.793 62.0 148.0 42.2 41.2 -78.5 43.2 43.6 134 135 A R T 3 S+ 0 0 205 1,-0.3 -3,-0.1 -4,-0.1 -1,-0.1 0.850 79.5 32.9 -60.1 -33.3 -82.2 44.1 43.7 135 136 A D T 3 S+ 0 0 45 -5,-0.3 -1,-0.3 2,-0.0 2,-0.1 -0.182 88.7 133.9-122.8 38.4 -81.9 45.0 40.1 136 137 A D < - 0 0 16 -3,-1.2 2,-0.3 -4,-0.1 42,-0.0 -0.354 29.3-175.7 -74.8 164.2 -79.2 42.6 38.8 137 138 A M - 0 0 8 -2,-0.1 42,-3.7 40,-0.0 43,-0.4 -0.948 31.4 -82.3-151.7 172.3 -79.6 40.7 35.5 138 139 A S B > -P 178 0F 14 -2,-0.3 4,-1.9 40,-0.2 3,-0.4 -0.505 40.8-115.3 -75.7 149.5 -77.9 38.0 33.3 139 140 A I H > S+ 0 0 0 38,-2.4 4,-1.9 35,-1.0 36,-0.2 0.933 118.9 55.9 -45.7 -49.5 -75.1 39.2 31.0 140 141 A L H > S+ 0 0 26 34,-0.9 4,-2.7 2,-0.2 -1,-0.2 0.863 102.5 53.1 -51.7 -44.3 -77.4 38.1 28.1 141 142 A A H > S+ 0 0 4 -3,-0.4 4,-3.1 1,-0.2 -1,-0.2 0.954 108.8 50.1 -61.1 -47.3 -80.3 40.4 29.3 142 143 A M H X S+ 0 0 1 -4,-1.9 4,-2.0 1,-0.2 -1,-0.2 0.872 110.7 51.5 -51.4 -39.7 -77.9 43.3 29.4 143 144 A Q H X S+ 0 0 9 -4,-1.9 4,-3.3 -5,-0.2 -2,-0.2 0.914 110.7 46.3 -66.7 -43.1 -77.0 42.2 25.8 144 145 A R H X>S+ 0 0 10 -4,-2.7 5,-1.4 2,-0.2 4,-1.2 0.917 109.7 55.1 -62.1 -47.9 -80.6 42.2 24.7 145 146 A L H <5S+ 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-2,-0.1 8,-0.2 -0.563 32.7 146.8-109.7 69.7 -62.5 14.7 33.1 392 393 A W T 4 S+ 0 0 21 -2,-0.7 8,-1.0 1,-0.2 7,-0.8 0.851 70.4 56.1 -77.3 -37.8 -62.9 17.0 36.1 393 394 A W T 4 S+ 0 0 21 6,-0.3 -1,-0.2 -3,-0.2 5,-0.1 0.916 109.5 48.2 -57.9 -42.6 -66.7 16.9 36.2 394 395 A S T 4 S+ 0 0 57 5,-0.1 -1,-0.2 4,-0.1 -2,-0.2 0.836 90.3 96.8 -67.9 -34.9 -66.6 13.1 36.5 395 396 A D >X - 0 0 59 -4,-1.3 4,-2.9 1,-0.1 3,-1.8 -0.383 69.2-145.6 -66.9 125.1 -64.0 13.1 39.2 396 397 A R T 34 S+ 0 0 108 1,-0.3 -1,-0.1 -2,-0.2 -122,-0.1 0.584 96.3 57.8 -69.1 -9.5 -65.6 12.8 42.7 397 398 A F T 34 S+ 0 0 39 -5,-0.1 -131,-0.5 -132,-0.0 -1,-0.3 0.450 125.3 17.6 -98.4 -0.2 -63.0 15.0 44.4 398 399 A Y T <4 - 0 0 20 -3,-1.8 -129,-0.4 -6,-0.3 -130,-0.4 0.610 66.9-170.6-136.7 -49.9 -63.8 17.9 42.1 399 400 A K S < S+ 0 0 30 -4,-2.9 -6,-0.3 -7,-0.8 2,-0.3 0.773 77.7 2.7 57.5 27.7 -67.1 17.5 40.3 400 401 A G S S- 0 0 0 -8,-1.0 -104,-0.2 -5,-0.2 -105,-0.1 -0.965 78.0-104.6 155.9-165.6 -66.2 20.5 38.1 401 402 A T S S- 0 0 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-97.0-179.6 -76.9 38.1 45.4 411 412 A R H > S+ 0 0 73 -280,-0.3 4,-1.4 1,-0.2 56,-0.1 0.854 122.1 52.7 -64.1 -36.1 -74.2 39.4 47.6 412 413 A Y H > S+ 0 0 92 2,-0.2 4,-1.5 -280,-0.2 3,-0.4 0.963 112.1 42.2 -63.0 -52.0 -76.0 38.3 50.8 413 414 A E H > S+ 0 0 26 1,-0.3 4,-0.7 2,-0.2 -2,-0.2 0.718 109.4 59.0 -80.7 -16.6 -76.6 34.7 49.8 414 415 A Y H >X S+ 0 0 5 -4,-1.9 4,-0.9 2,-0.2 3,-0.6 0.860 104.8 52.1 -62.9 -40.4 -73.1 34.4 48.3 415 416 A D H >X S+ 0 0 23 -4,-1.4 4,-2.2 -3,-0.4 3,-0.5 0.865 98.8 63.0 -70.2 -33.6 -71.9 35.3 51.8 416 417 A Q H 3< S+ 0 0 29 -4,-1.5 -1,-0.2 1,-0.2 -2,-0.2 0.798 96.8 60.8 -54.5 -32.5 -74.0 32.5 53.3 417 418 A L H << S+ 0 0 2 -4,-0.7 -1,-0.2 -3,-0.6 -2,-0.2 0.904 112.6 35.2 -61.4 -41.8 -71.9 30.0 51.2 418 419 A R H << S+ 0 0 23 -4,-0.9 8,-0.7 -3,-0.5 -2,-0.2 0.747 92.9 109.1 -88.8 -22.8 -68.8 31.1 53.0 419 420 A A S < S- 0 0 1 -4,-2.2 2,-0.1 -5,-0.1 46,-0.0 -0.271 72.7-118.6 -54.8 132.6 -70.4 31.7 56.4 420 421 A P - 0 0 19 0, 0.0 2,-0.5 0, 0.0 5,-0.2 -0.360 11.7-142.2 -72.2 154.5 -69.4 29.0 58.9 421 422 A V B > -E 424 0A 15 3,-2.1 3,-2.8 -2,-0.1 2,-0.2 -0.982 64.2 -55.5-112.6 112.7 -71.8 26.6 60.6 422 423 A G T 3 S- 0 0 63 -2,-0.5 -181,-0.0 1,-0.3 -180,-0.0 -0.351 121.9 -16.9 62.3-123.5 -70.7 26.0 64.2 423 424 A R T 3 S+ 0 0 55 -178,-0.2 -162,-2.4 -2,-0.2 2,-0.7 0.284 116.2 104.1 -94.7 6.3 -67.1 24.7 64.3 424 425 A V E < -dE 261 421A 0 -3,-2.8 -3,-2.1 -164,-0.2 2,-0.4 -0.834 52.7-175.9 -90.9 115.8 -67.4 23.9 60.6 425 426 A Y E -d 262 0A 6 -164,-3.2 -162,-3.0 -2,-0.7 2,-0.4 -0.887 12.0-145.5-111.5 143.7 -65.5 26.6 58.6 426 427 A F E +d 263 0A 3 -8,-0.7 2,-0.3 -2,-0.4 -162,-0.2 -0.930 21.5 165.4-112.4 136.7 -65.4 26.7 54.8 427 428 A T + 0 0 0 -164,-2.6 2,-0.2 -2,-0.4 3,-0.1 -0.823 22.1 104.0-128.7 175.7 -62.6 27.9 52.5 428 429 A G S >> S- 0 0 1 14,-0.3 3,-3.2 -2,-0.3 4,-0.6 -0.430 82.3 -71.1 129.0 156.9 -62.0 27.5 48.7 429 430 A E G >4 S+ 0 0 5 1,-0.3 3,-1.3 2,-0.2 9,-0.2 0.829 127.8 62.9 -46.8 -35.9 -62.2 29.7 45.6 430 431 A H G 34 S+ 0 0 1 1,-0.3 -1,-0.3 6,-0.2 6,-0.1 0.531 102.6 49.7 -71.4 -6.9 -66.0 29.6 45.9 431 432 A T G <4 S+ 0 0 1 -3,-3.2 -1,-0.3 -13,-0.1 -2,-0.2 0.480 81.5 123.7-105.7 -8.4 -65.7 31.4 49.2 432 433 A S 4 + 0 0 26 -6,-0.2 3,-1.4 6,-0.1 6,-0.4 0.008 58.6 158.3-138.5 31.1 -62.0 36.3 43.1 436 437 A N T 3< + 0 0 25 -4,-0.6 -6,-0.2 1,-0.2 -31,-0.1 -0.240 69.3 35.8 -47.2 138.8 -64.1 33.2 43.0 437 438 A G T 3 S+ 0 0 16 1,-0.2 2,-0.3 -33,-0.1 -1,-0.2 0.359 101.4 95.9 99.5 -4.7 -63.0 31.0 40.1 438 439 A Y S <> S- 0 0 24 -3,-1.4 4,-3.0 -9,-0.2 5,-0.3 -0.912 76.5-124.6-132.2 144.3 -59.2 31.8 40.4 439 440 A V H > S+ 0 0 19 -2,-0.3 4,-2.7 -380,-0.2 5,-0.1 0.899 117.7 47.5 -43.1 -50.6 -56.0 30.5 41.8 440 441 A H H > S+ 0 0 4 2,-0.2 4,-3.0 1,-0.2 -1,-0.2 0.872 110.8 52.8 -66.6 -35.1 -55.4 33.8 43.6 441 442 A G H > S+ 0 0 0 -6,-0.4 4,-2.4 2,-0.2 -2,-0.2 0.950 111.4 44.8 -60.0 -53.7 -59.1 33.7 44.9 442 443 A A H X S+ 0 0 13 -4,-3.0 4,-1.8 -7,-0.2 -14,-0.3 0.894 114.7 50.9 -53.8 -44.4 -58.5 30.2 46.3 443 444 A Y H X S+ 0 0 39 -4,-2.7 4,-1.3 -5,-0.3 -2,-0.2 0.935 112.7 44.0 -61.5 -47.7 -55.2 31.4 47.8 444 445 A L H X S+ 0 0 44 -4,-3.0 4,-2.1 1,-0.2 -1,-0.2 0.808 107.9 58.2 -72.9 -29.5 -56.7 34.5 49.4 445 446 A S H X S+ 0 0 2 -4,-2.4 4,-2.5 2,-0.2 5,-0.4 0.873 98.6 62.4 -64.3 -38.9 -59.7 32.6 50.7 446 447 A G H X S+ 0 0 0 -4,-1.8 4,-2.5 1,-0.2 -2,-0.2 0.966 109.0 40.1 -38.6 -64.0 -57.2 30.4 52.5 447 448 A I H X S+ 0 0 32 -4,-1.3 4,-2.6 2,-0.2 -2,-0.2 0.887 115.9 49.6 -58.5 -45.6 -56.1 33.4 54.5 448 449 A D H X S+ 0 0 47 -4,-2.1 4,-2.5 2,-0.2 5,-0.2 0.978 113.4 43.7 -65.9 -56.8 -59.6 34.9 55.1 449 450 A S H X S+ 0 0 2 -4,-2.5 4,-2.1 1,-0.2 5,-0.2 0.932 112.8 54.1 -50.3 -53.6 -61.2 31.7 56.3 450 451 A A H X S+ 0 0 0 -4,-2.5 4,-3.0 -5,-0.4 -1,-0.2 0.909 109.7 48.3 -44.0 -50.0 -58.1 31.0 58.5 451 452 A E H X S+ 0 0 78 -4,-2.6 4,-2.3 2,-0.2 -2,-0.2 0.895 105.1 56.9 -64.0 -44.3 -58.5 34.5 60.0 452 453 A I H X S+ 0 0 36 -4,-2.5 4,-0.7 1,-0.2 -1,-0.2 0.921 114.8 40.8 -47.0 -48.3 -62.3 34.1 60.7 453 454 A L H >X S+ 0 0 0 -4,-2.1 4,-3.0 2,-0.2 3,-1.3 0.928 108.8 56.9 -69.0 -48.7 -61.4 31.0 62.7 454 455 A I H 3X>S+ 0 0 14 -4,-3.0 4,-2.5 1,-0.3 5,-1.0 0.874 105.4 56.4 -53.1 -33.8 -58.2 32.5 64.4 455 456 A N H 3<5S+ 0 0 75 -4,-2.3 6,-2.5 -5,-0.2 -1,-0.3 0.800 112.1 39.6 -68.1 -31.9 -60.6 35.1 65.6 456 457 A a H S-b 507 0L 13 27,-0.2 4,-2.9 28,-0.2 5,-0.2 -0.138 87.7 -66.5 -78.3-166.9 -104.4 38.2 17.9 480 14 B M H > S+ 0 0 11 27,-0.5 4,-3.0 1,-0.2 5,-0.2 0.895 134.2 41.7 -52.4 -56.7 -106.2 36.6 20.9 481 15 B S H > S+ 0 0 7 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.893 115.8 50.6 -65.6 -43.6 -105.5 39.1 23.6 482 16 B G H > S+ 0 0 0 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.928 113.8 45.0 -52.7 -50.4 -106.0 42.1 21.3 483 17 B I H X S+ 0 0 0 -4,-2.9 4,-2.2 1,-0.2 -2,-0.2 0.931 114.0 50.1 -63.2 -44.6 -109.4 40.6 20.2 484 18 B S H X S+ 0 0 4 -4,-3.0 4,-1.8 -5,-0.2 -1,-0.2 0.845 108.7 52.2 -61.7 -39.0 -110.3 39.8 23.8 485 19 B A H X S+ 0 0 0 -4,-2.6 4,-2.5 2,-0.2 3,-0.4 0.986 110.1 47.3 -60.6 -56.8 -109.4 43.4 25.0 486 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