==== 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 17-DEC-98 1B37 . COMPND 2 MOLECULE: PROTEIN (POLYAMINE OXIDASE); . SOURCE 2 ORGANISM_SCIENTIFIC: ZEA MAYS; . AUTHOR C.BINDA,A.CODA,R.ANGELINI,R.FEDERICO,P.ASCENZI,A.MATTEVI . 1383 3 3 3 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 54160.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 959 69.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 81 5.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 188 13.6 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 3 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 6 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 9 0.7 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 . 114 8.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 126 9.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 371 26.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 26 1.9 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 4 2 7 1 8 6 3 0 3 0 0 3 0 0 0 0 0 3 0 1 2 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 3 4 8 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 PARALLEL BRIDGES PER LADDER . 15 0 12 12 1 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 ANTIPARALLEL BRIDGES PER LADDER . 6 3 3 0 3 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 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 5 A P 0 0 65 0, 0.0 2,-0.5 0, 0.0 25,-0.4 0.000 360.0 360.0 360.0 157.4 157.0 65.3 -29.8 2 6 A R - 0 0 71 23,-0.1 254,-2.1 25,-0.0 255,-1.2 -0.818 360.0-171.6 -94.6 135.4 157.7 62.7 -27.2 3 7 A V E -ab 27 257A 0 23,-2.1 25,-1.8 -2,-0.5 2,-0.5 -0.988 14.7-152.9-129.4 132.4 155.3 62.8 -24.3 4 8 A I E -ab 28 258A 0 253,-2.3 255,-2.9 -2,-0.4 2,-0.5 -0.861 11.1-157.8-100.2 134.9 155.3 60.9 -21.0 5 9 A V E -ab 29 259A 0 23,-3.1 25,-2.8 -2,-0.5 2,-0.8 -0.954 8.3-145.6-112.6 122.7 152.0 60.3 -19.4 6 10 A V E +ab 30 260A 10 253,-3.3 255,-2.3 -2,-0.5 256,-0.2 -0.811 68.2 16.3 -93.6 113.6 152.1 59.6 -15.7 7 11 A G - 0 0 10 23,-2.9 24,-0.2 -2,-0.8 23,-0.1 0.321 59.5-134.7 101.1 134.1 149.4 57.1 -14.7 8 12 A A + 0 0 0 27,-0.2 29,-3.1 4,-0.1 30,-0.2 -0.266 63.3 120.0-112.0 41.8 147.1 54.7 -16.7 9 13 A G B > S-f 37 0B 14 27,-0.2 4,-2.3 28,-0.2 5,-0.4 -0.171 87.8 -72.2 -86.5-171.5 143.8 55.5 -15.1 10 14 A M H > S+ 0 0 10 27,-0.6 4,-2.1 1,-0.2 5,-0.2 0.913 133.1 45.3 -55.8 -44.8 140.9 56.8 -17.2 11 15 A S H > S+ 0 0 8 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.893 112.8 50.9 -72.3 -33.6 142.3 60.3 -17.8 12 16 A G H > S+ 0 0 0 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.934 114.7 41.4 -66.9 -42.9 145.8 59.0 -18.6 13 17 A I H X S+ 0 0 0 -4,-2.3 4,-2.3 2,-0.2 -1,-0.2 0.906 116.1 51.7 -70.8 -36.5 144.6 56.5 -21.2 14 18 A S H X S+ 0 0 3 -4,-2.1 4,-1.9 -5,-0.4 -2,-0.2 0.902 111.4 46.0 -66.2 -41.0 142.1 59.0 -22.5 15 19 A A H X S+ 0 0 0 -4,-2.6 4,-2.1 2,-0.2 -2,-0.2 0.945 111.9 50.7 -68.0 -47.1 144.7 61.7 -22.9 16 20 A A H X S+ 0 0 0 -4,-2.6 4,-2.7 1,-0.2 5,-0.2 0.916 109.7 53.0 -58.4 -39.3 147.2 59.3 -24.6 17 21 A K H X S+ 0 0 36 -4,-2.3 4,-2.5 -5,-0.2 -1,-0.2 0.940 108.8 47.9 -62.8 -40.7 144.5 58.3 -27.0 18 22 A R H X S+ 0 0 57 -4,-1.9 4,-0.8 1,-0.2 -1,-0.2 0.874 111.9 49.8 -68.8 -31.9 143.7 61.8 -27.9 19 23 A L H ><>S+ 0 0 0 -4,-2.1 5,-2.8 2,-0.2 3,-1.0 0.937 108.3 51.9 -68.9 -45.4 147.3 62.6 -28.5 20 24 A S H ><5S+ 0 0 26 -4,-2.7 3,-2.6 1,-0.3 -2,-0.2 0.947 106.6 56.3 -57.6 -43.4 147.8 59.5 -30.7 21 25 A E H 3<5S+ 0 0 112 -4,-2.5 -1,-0.3 1,-0.3 -2,-0.2 0.752 103.8 52.1 -61.2 -24.9 144.8 60.8 -32.6 22 26 A A T <<5S- 0 0 27 -3,-1.0 -1,-0.3 -4,-0.8 -2,-0.2 0.361 128.8-101.0 -90.3 5.5 146.6 64.1 -33.2 23 27 A G T < 5S+ 0 0 52 -3,-2.6 2,-1.3 1,-0.2 -3,-0.2 0.480 84.5 130.7 92.7 1.2 149.5 62.0 -34.5 24 28 A I < + 0 0 4 -5,-2.8 -1,-0.2 1,-0.2 -2,-0.2 -0.741 19.1 148.5 -92.4 98.3 151.6 62.3 -31.4 25 29 A T + 0 0 72 -2,-1.3 2,-2.3 1,-0.1 -1,-0.2 0.433 37.5 97.9-110.6 -2.9 152.4 58.6 -31.0 26 30 A D + 0 0 77 -25,-0.4 -23,-2.1 -3,-0.2 2,-0.3 -0.539 61.9 147.5 -84.2 75.0 155.8 58.8 -29.4 27 31 A L E -a 3 0A 3 -2,-2.3 2,-0.4 -25,-0.2 -23,-0.2 -0.770 38.6-163.5-111.3 160.3 154.2 58.3 -26.0 28 32 A L E -a 4 0A 10 -25,-1.8 -23,-3.1 -2,-0.3 2,-0.6 -0.943 8.8-162.3-143.9 114.3 155.4 56.6 -22.9 29 33 A I E -ac 5 227A 0 197,-3.1 199,-3.1 -2,-0.4 2,-0.6 -0.904 5.4-165.3-101.4 115.9 152.7 55.7 -20.2 30 34 A L E -ac 6 228A 1 -25,-2.8 -23,-2.9 -2,-0.6 2,-0.4 -0.941 7.6-175.2-107.9 114.8 154.2 55.1 -16.8 31 35 A E - 0 0 10 197,-2.3 200,-4.3 -2,-0.6 199,-0.2 -0.904 21.2-149.6-114.2 132.7 151.8 53.4 -14.3 32 36 A A S S+ 0 0 21 -2,-0.4 200,-0.2 198,-0.3 -1,-0.1 0.882 77.4 53.8 -66.3 -42.2 152.7 52.7 -10.8 33 37 A T S S- 0 0 18 2,-0.3 197,-2.8 197,-0.1 198,-0.3 -0.167 95.6-100.3 -85.8-175.7 150.6 49.5 -10.2 34 38 A D S S+ 0 0 106 195,-0.2 2,-0.3 196,-0.1 195,-0.1 0.207 99.4 39.4 -91.8 19.6 150.6 46.3 -12.2 35 39 A H S S- 0 0 34 0, 0.0 -2,-0.3 0, 0.0 3,-0.2 -0.973 76.4-115.1-157.7 165.4 147.4 47.2 -14.1 36 40 A I S S+ 0 0 4 -2,-0.3 -27,-0.2 1,-0.1 170,-0.1 -0.495 79.0 69.6 -95.6 173.9 145.6 50.0 -15.9 37 41 A G B > -f 9 0B 1 -29,-3.1 3,-2.0 -2,-0.2 -27,-0.6 -0.018 62.9-165.0 109.3 -29.8 142.3 51.5 -14.8 38 42 A G T 3 S+ 0 0 4 1,-0.3 15,-0.1 -3,-0.2 164,-0.1 -0.216 77.0 12.9 51.9-116.5 143.2 53.3 -11.5 39 43 A R T 3 S+ 0 0 49 14,-0.1 15,-2.1 1,-0.1 2,-0.8 0.454 116.6 76.7 -71.4 -1.9 140.0 54.2 -9.6 40 44 A M S < S+ 0 0 6 -3,-2.0 2,-0.3 13,-0.2 15,-0.1 -0.948 71.9 140.8-106.0 103.5 137.9 51.9 -11.8 41 45 A H - 0 0 44 -2,-0.8 11,-2.7 13,-0.3 12,-1.0 -0.889 36.3-156.8-161.6 127.1 138.8 48.6 -10.4 42 46 A K E -G 51 0C 53 -2,-0.3 2,-0.3 9,-0.3 9,-0.2 -0.505 8.6-171.5 -98.3 166.4 137.2 45.3 -9.5 43 47 A T E -G 50 0C 47 7,-2.9 7,-3.6 -2,-0.2 2,-0.5 -0.991 30.5-103.4-154.1 156.1 138.0 42.6 -7.1 44 48 A N E +G 49 0C 96 -2,-0.3 2,-0.4 5,-0.3 5,-0.3 -0.710 43.2 166.3 -81.4 129.8 136.9 39.1 -6.2 45 49 A F E > -G 48 0C 8 3,-5.1 3,-0.9 -2,-0.5 254,-0.1 -0.969 69.5 -7.1-143.5 125.7 134.8 39.0 -3.0 46 50 A A T 3 S- 0 0 25 -2,-0.4 -1,-0.1 1,-0.3 3,-0.1 0.919 131.7 -55.1 60.5 38.8 132.7 36.0 -2.0 47 51 A G T 3 S+ 0 0 63 1,-0.2 2,-0.3 -3,-0.1 -1,-0.3 0.737 123.9 95.7 63.3 24.8 133.4 34.4 -5.3 48 52 A I E < S-G 45 0C 21 -3,-0.9 -3,-5.1 -5,-0.0 2,-0.6 -0.976 77.2-115.2-142.2 155.3 132.1 37.4 -7.2 49 53 A N E +G 44 0C 35 -2,-0.3 2,-0.3 -5,-0.3 -5,-0.3 -0.819 37.7 178.6 -91.6 125.9 133.8 40.4 -8.7 50 54 A V E -G 43 0C 0 -7,-3.6 -7,-2.9 -2,-0.6 2,-0.6 -0.830 33.1-103.0-122.2 162.0 132.7 43.6 -7.0 51 55 A E E -G 42 0C 3 -2,-0.3 -9,-0.3 -9,-0.2 4,-0.1 -0.758 24.1-174.5 -84.6 119.5 133.9 47.2 -7.6 52 56 A L S S+ 0 0 26 -11,-2.7 244,-0.4 -2,-0.6 -10,-0.2 0.754 80.8 17.1 -77.9 -27.2 136.3 48.7 -5.1 53 57 A G S S+ 0 0 16 -12,-1.0 -13,-0.2 1,-0.4 -2,-0.1 0.213 121.1 9.6-112.6-130.8 136.1 52.1 -6.8 54 58 A A + 0 0 31 -15,-2.1 -1,-0.4 1,-0.1 -13,-0.3 -0.280 53.4 165.1 -57.0 148.1 133.6 53.6 -9.3 55 59 A N + 0 0 3 1,-0.1 140,-3.0 -3,-0.1 2,-0.3 0.444 50.8 62.2-140.8 -15.2 130.5 51.5 -9.8 56 60 A W E -H 194 0D 22 138,-0.2 2,-0.8 24,-0.0 380,-0.3 -0.898 63.6-138.3-121.9 152.9 127.9 53.8 -11.5 57 61 A V E -H 193 0D 0 136,-2.6 136,-2.1 -2,-0.3 2,-0.6 -0.914 39.8-155.8 -98.4 119.7 127.5 55.7 -14.7 58 62 A E E +H 192 0D 33 -2,-0.8 134,-0.2 134,-0.2 379,-0.1 -0.889 56.8 35.7-109.6 131.8 126.1 58.8 -13.4 59 63 A G E S+ 0 0 0 132,-1.9 2,-0.3 -2,-0.6 7,-0.2 0.726 70.5 157.0 97.5 90.3 123.9 61.2 -15.3 60 64 A V E +H 191 0D 5 131,-1.0 131,-2.0 129,-0.1 -1,-0.1 -0.986 47.3 31.2-148.0 147.6 121.7 59.4 -17.9 61 65 A N S S+ 0 0 107 -2,-0.3 128,-0.3 1,-0.2 129,-0.1 0.508 91.0 117.4 83.4 13.7 118.4 60.1 -19.8 62 66 A G S S- 0 0 37 126,-1.9 -1,-0.2 2,-0.4 126,-0.1 -0.105 83.3 -74.5 -95.5-170.4 119.0 63.8 -19.9 63 67 A G S S+ 0 0 86 123,-0.3 2,-0.3 -3,-0.1 125,-0.2 0.737 113.4 40.8 -63.8 -26.9 119.5 66.5 -22.6 64 68 A K S S- 0 0 122 123,-1.8 2,-0.6 0, 0.0 -2,-0.4 -0.928 88.3-111.3-126.7 152.7 123.1 65.5 -23.4 65 69 A M - 0 0 119 -2,-0.3 -5,-0.1 -4,-0.1 124,-0.1 -0.694 24.1-130.3 -86.0 122.0 124.7 62.2 -23.8 66 70 A N > - 0 0 2 -2,-0.6 3,-1.9 122,-0.3 -7,-0.0 -0.559 20.6-136.3 -71.1 121.3 127.1 61.1 -21.1 67 71 A P T 3> S+ 0 0 30 0, 0.0 4,-0.6 0, 0.0 -1,-0.2 0.696 99.6 55.1 -54.2 -23.3 130.1 60.0 -23.2 68 72 A I H 3> S+ 0 0 0 2,-0.1 4,-2.5 1,-0.1 5,-0.2 0.780 92.5 71.5 -84.4 -22.6 130.6 57.0 -21.1 69 73 A W H <> S+ 0 0 24 -3,-1.9 4,-4.6 1,-0.2 5,-0.4 0.961 94.7 49.4 -55.7 -51.9 127.1 55.6 -21.4 70 74 A P H >>S+ 0 0 44 0, 0.0 5,-2.5 0, 0.0 4,-2.2 0.904 111.2 52.5 -57.7 -36.9 127.2 54.5 -25.0 71 75 A I H <>S+ 0 0 16 -4,-0.6 5,-2.5 3,-0.2 6,-0.4 0.945 117.5 36.6 -67.4 -40.9 130.4 52.7 -24.2 72 76 A V H <5S+ 0 0 0 -4,-2.5 6,-2.8 3,-0.2 -1,-0.2 0.963 127.2 33.8 -73.1 -52.4 129.0 50.9 -21.3 73 77 A N H <5S+ 0 0 67 -4,-4.6 -2,-0.2 4,-0.2 -1,-0.1 0.727 134.0 15.5 -78.7 -25.5 125.5 50.3 -22.6 74 78 A S T <5S+ 0 0 66 -4,-2.2 -3,-0.2 -5,-0.4 -2,-0.1 0.717 124.2 43.8-112.2 -57.0 126.0 49.7 -26.4 75 79 A T T + 0 0 54 -2,-0.6 3,-1.3 1,-0.2 -1,-0.1 0.266 49.8 106.8-100.8 12.1 115.8 55.7 -4.8 86 90 A D T 3 S+ 0 0 119 1,-0.2 3,-0.3 2,-0.1 -1,-0.2 0.705 73.9 52.5 -65.4 -21.8 112.1 56.3 -4.6 87 91 A Y T > + 0 0 60 -3,-0.3 3,-2.3 1,-0.2 4,-0.3 0.196 67.3 114.8-100.7 15.9 111.4 54.0 -1.7 88 92 A L G X + 0 0 11 -3,-1.3 3,-2.8 1,-0.3 228,-0.2 0.885 67.4 68.1 -53.9 -36.3 113.8 55.3 0.8 89 93 A A G 3 S+ 0 0 1 -3,-0.3 3,-0.4 1,-0.3 -1,-0.3 0.728 98.5 52.0 -57.0 -22.1 111.1 56.5 3.1 90 94 A Q G < S+ 0 0 60 -3,-2.3 -1,-0.3 1,-0.2 -2,-0.2 0.405 109.1 53.6 -91.1 1.4 110.1 52.9 3.7 91 95 A N < + 0 0 2 -3,-2.8 225,-2.3 -4,-0.3 2,-0.6 -0.105 64.6 119.8-132.2 41.7 113.6 52.0 4.7 92 96 A V E -j 316 0E 1 -3,-0.4 8,-2.4 8,-0.3 2,-0.3 -0.928 50.0-147.7-109.0 114.3 115.1 54.2 7.4 93 97 A Y E -jK 317 99E 13 223,-3.3 225,-2.8 -2,-0.6 6,-0.3 -0.632 11.7-124.0 -83.5 136.8 116.1 52.1 10.5 94 98 A K - 0 0 84 4,-3.7 3,-0.3 -2,-0.3 4,-0.2 -0.395 28.1-111.7 -73.4 153.7 115.8 53.6 14.0 95 99 A E S S+ 0 0 52 223,-0.5 2,-0.5 1,-0.3 -1,-0.1 0.857 114.1 31.3 -56.9 -36.5 119.1 53.5 16.0 96 100 A D S S- 0 0 107 1,-0.2 -1,-0.3 2,-0.1 276,-0.1 -0.929 129.0 -23.3-134.2 100.9 117.6 50.9 18.3 97 101 A G S S- 0 0 26 274,-1.5 -1,-0.2 -2,-0.5 275,-0.2 0.991 92.2 -5.4 58.5 125.2 115.1 48.8 16.4 98 102 A G S S- 0 0 28 274,-0.9 -4,-3.7 273,-0.3 2,-0.2 0.022 80.1 -56.6 73.6 171.2 112.9 48.7 13.2 99 103 A V B -K 93 0E 59 -6,-0.3 -6,-0.3 1,-0.1 3,-0.1 -0.554 49.7-111.7 -89.7 156.9 112.1 51.3 10.7 100 104 A Y - 0 0 53 -8,-2.4 -8,-0.3 -2,-0.2 2,-0.1 -0.369 52.0 -74.6 -75.7 163.1 110.5 54.7 11.2 101 105 A D > - 0 0 102 1,-0.1 4,-2.7 -2,-0.1 5,-0.2 -0.343 42.6-136.4 -60.4 126.7 107.0 55.5 10.1 102 106 A E H > S+ 0 0 95 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.883 100.1 50.1 -58.2 -42.2 107.1 55.9 6.3 103 107 A D H > S+ 0 0 119 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.937 109.6 51.3 -67.5 -39.4 104.9 59.0 6.1 104 108 A Y H > S+ 0 0 100 1,-0.2 4,-1.6 2,-0.2 -2,-0.2 0.964 114.1 45.3 -59.1 -50.2 106.9 60.8 8.8 105 109 A V H X S+ 0 0 0 -4,-2.7 4,-2.4 -16,-0.2 5,-0.2 0.896 107.6 56.2 -61.8 -40.0 110.1 60.0 6.9 106 110 A Q H X S+ 0 0 64 -4,-2.7 4,-2.6 1,-0.2 -1,-0.2 0.897 106.8 51.1 -63.2 -33.8 108.7 61.0 3.5 107 111 A K H X S+ 0 0 133 -4,-2.0 4,-2.4 -5,-0.2 -1,-0.2 0.912 108.1 50.8 -71.0 -34.1 107.9 64.4 4.8 108 112 A R H X S+ 0 0 58 -4,-1.6 4,-2.3 2,-0.2 -2,-0.2 0.906 111.3 50.0 -65.2 -38.8 111.4 64.9 6.2 109 113 A I H X S+ 0 0 25 -4,-2.4 4,-2.9 1,-0.2 5,-0.3 0.941 110.0 50.5 -64.8 -42.4 112.8 63.9 2.8 110 114 A E H X S+ 0 0 103 -4,-2.6 4,-2.6 -5,-0.2 -1,-0.2 0.905 108.8 50.7 -61.2 -41.9 110.5 66.4 1.1 111 115 A L H X S+ 0 0 81 -4,-2.4 4,-2.2 2,-0.2 -1,-0.2 0.948 111.6 48.2 -62.0 -43.9 111.6 69.2 3.4 112 116 A A H X S+ 0 0 24 -4,-2.3 4,-2.2 1,-0.2 -2,-0.2 0.920 113.1 47.8 -63.9 -40.4 115.2 68.4 2.7 113 117 A D H X S+ 0 0 53 -4,-2.9 4,-2.5 1,-0.2 -1,-0.2 0.906 110.0 52.9 -66.0 -40.3 114.6 68.3 -1.1 114 118 A S H X S+ 0 0 46 -4,-2.6 4,-2.3 -5,-0.3 -1,-0.2 0.925 108.2 49.1 -63.7 -39.0 112.7 71.5 -0.9 115 119 A V H X S+ 0 0 5 -4,-2.2 4,-2.2 2,-0.2 -1,-0.2 0.926 110.0 52.0 -65.5 -39.9 115.5 73.3 0.9 116 120 A E H X S+ 0 0 38 -4,-2.2 4,-2.0 2,-0.2 -1,-0.2 0.913 106.8 54.7 -62.4 -38.9 118.0 72.1 -1.6 117 121 A E H X S+ 0 0 113 -4,-2.5 4,-2.2 1,-0.3 -1,-0.2 0.925 107.5 48.0 -62.3 -43.0 115.7 73.4 -4.4 118 122 A M H X S+ 0 0 73 -4,-2.3 4,-2.3 1,-0.2 -1,-0.3 0.893 108.3 57.0 -65.3 -31.1 115.7 76.8 -2.9 119 123 A G H X S+ 0 0 0 -4,-2.2 4,-3.0 -5,-0.2 -2,-0.2 0.909 103.5 53.3 -65.3 -34.7 119.5 76.4 -2.6 120 124 A E H X S+ 0 0 75 -4,-2.0 4,-1.8 1,-0.2 -2,-0.2 0.939 108.3 49.2 -65.0 -40.8 119.6 75.8 -6.4 121 125 A K H X S+ 0 0 164 -4,-2.2 4,-0.7 1,-0.2 -1,-0.2 0.939 113.6 46.8 -63.1 -41.0 117.7 79.0 -7.0 122 126 A L H >< S+ 0 0 13 -4,-2.3 3,-1.5 1,-0.2 4,-0.4 0.936 106.4 56.8 -66.4 -46.0 120.0 80.9 -4.8 123 127 A S H >< S+ 0 0 11 -4,-3.0 3,-1.5 1,-0.3 -1,-0.2 0.879 100.0 60.4 -55.4 -37.2 123.1 79.5 -6.3 124 128 A A H 3< S+ 0 0 86 -4,-1.8 -1,-0.3 1,-0.3 -2,-0.2 0.792 102.6 53.1 -63.5 -24.5 122.0 80.7 -9.7 125 129 A T T << S+ 0 0 84 -3,-1.5 -1,-0.3 -4,-0.7 -2,-0.2 0.512 86.3 104.5 -90.3 -2.6 122.1 84.3 -8.5 126 130 A L S < S- 0 0 18 -3,-1.5 2,-0.2 -4,-0.4 7,-0.0 -0.440 77.5 -94.2 -76.4 159.0 125.6 84.3 -7.1 127 131 A H > - 0 0 78 1,-0.1 3,-3.6 -2,-0.1 5,-0.4 -0.457 21.3-127.9 -77.0 140.1 128.5 86.0 -8.8 128 132 A A T 3 S+ 0 0 90 1,-0.3 280,-0.4 -2,-0.2 -1,-0.1 0.768 107.1 66.9 -52.4 -32.3 130.9 84.2 -11.1 129 133 A S T 3 S- 0 0 39 1,-0.1 -1,-0.3 278,-0.1 280,-0.1 0.632 107.1-125.3 -67.7 -13.1 133.8 85.5 -9.1 130 134 A G X + 0 0 17 -3,-3.6 3,-1.9 277,-0.1 -2,-0.1 0.479 69.1 133.8 84.7 -1.7 132.6 83.4 -6.1 131 135 A R T 3 S+ 0 0 118 1,-0.3 736,-0.2 -4,-0.1 -3,-0.1 0.710 76.9 38.0 -59.2 -19.6 132.5 86.4 -3.8 132 136 A D T 3 S+ 0 0 32 -5,-0.4 -1,-0.3 734,-0.1 -4,-0.1 0.243 86.9 129.6-109.7 9.5 129.1 85.5 -2.4 133 137 A D < + 0 0 13 -3,-1.9 2,-0.3 -6,-0.1 42,-0.1 -0.255 32.1 179.1 -60.2 163.3 129.6 81.7 -2.3 134 138 A M - 0 0 4 40,-0.1 42,-2.9 732,-0.0 43,-0.5 -0.943 34.4 -85.9-154.8 166.8 128.7 79.8 0.9 135 139 A S B > -P 175 0F 16 -2,-0.3 4,-1.6 729,-0.2 40,-0.2 -0.376 40.3-112.8 -73.6 161.8 128.8 76.3 2.2 136 140 A I H > S+ 0 0 0 38,-1.6 4,-2.5 35,-1.2 36,-0.2 0.898 119.4 57.4 -61.2 -36.4 125.7 74.1 1.6 137 141 A L H > S+ 0 0 28 34,-0.8 4,-2.6 1,-0.2 5,-0.2 0.917 102.0 53.4 -60.9 -41.1 125.1 74.2 5.4 138 142 A A H > S+ 0 0 5 33,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.926 108.7 50.5 -61.2 -38.9 125.0 78.0 5.4 139 143 A M H X S+ 0 0 0 -4,-1.6 4,-2.8 1,-0.2 5,-0.3 0.915 108.8 51.8 -65.4 -40.3 122.3 77.8 2.7 140 144 A Q H X S+ 0 0 8 -4,-2.5 4,-2.5 2,-0.2 -1,-0.2 0.923 110.1 48.6 -63.6 -42.5 120.3 75.3 4.7 141 145 A R H X>S+ 0 0 7 -4,-2.6 5,-1.4 1,-0.2 4,-1.1 0.942 114.3 46.9 -62.5 -42.1 120.4 77.6 7.8 142 146 A L H <5S+ 0 0 14 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.888 115.1 44.2 -68.4 -38.2 119.3 80.5 5.7 143 147 A N H <5S+ 0 0 42 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.828 122.2 37.7 -78.4 -27.9 116.5 78.6 4.0 144 148 A E H <5S- 0 0 59 -4,-2.5 -1,-0.2 -5,-0.3 -2,-0.2 0.469 102.0-128.3 -95.7 -4.9 115.2 77.0 7.1 145 149 A H T <5 + 0 0 76 -4,-1.1 -3,-0.2 1,-0.2 -4,-0.1 0.952 64.2 122.1 56.6 52.8 115.8 80.0 9.5 146 150 A Q S S- 0 0 45 1,-0.1 4,-3.1 0, 0.0 5,-0.3 -0.604 89.5-105.7 -86.2 164.0 118.0 64.9 14.7 153 157 A P H > S+ 0 0 34 0, 0.0 4,-2.3 0, 0.0 5,-0.2 0.906 118.9 44.9 -55.5 -43.1 119.2 61.4 13.6 154 158 A V H > S+ 0 0 5 2,-0.2 4,-2.2 1,-0.2 5,-0.2 0.950 114.7 48.2 -70.4 -43.2 116.7 60.9 10.9 155 159 A D H > S+ 0 0 27 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.899 112.8 50.2 -63.5 -37.9 117.2 64.4 9.5 156 160 A M H X S+ 0 0 23 -4,-3.1 4,-2.9 2,-0.2 -1,-0.2 0.906 109.5 48.2 -66.5 -40.1 121.0 63.8 9.6 157 161 A V H X S+ 0 0 8 -4,-2.3 4,-2.7 -5,-0.3 5,-0.3 0.898 112.0 50.2 -71.2 -33.6 121.0 60.5 7.8 158 162 A V H X S+ 0 0 6 -4,-2.2 4,-2.5 -5,-0.2 -1,-0.2 0.953 112.1 48.0 -65.9 -41.7 118.7 61.9 5.2 159 163 A D H X>S+ 0 0 8 -4,-2.4 4,-1.9 -5,-0.2 5,-0.6 0.906 111.5 50.9 -62.7 -41.1 121.2 64.8 4.9 160 164 A Y H <>S+ 0 0 6 -4,-2.9 5,-2.6 1,-0.2 6,-0.3 0.923 110.7 48.2 -64.1 -42.4 124.1 62.4 4.7 161 165 A Y H <5S+ 0 0 52 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.925 113.4 48.6 -67.1 -39.3 122.4 60.4 1.9 162 166 A K H <5S+ 0 0 34 -4,-2.5 -1,-0.2 -5,-0.3 -2,-0.2 0.821 133.1 4.2 -73.3 -25.8 121.6 63.5 -0.0 163 167 A F T >X5S+ 0 0 3 -4,-1.9 4,-3.8 -5,-0.2 3,-1.5 0.695 127.2 46.5-124.9 -57.1 125.1 65.1 0.1 164 168 A D H 3>> - 0 0 6 0, 0.0 3,-1.9 0, 0.0 4,-1.1 -0.273 34.7-111.3 -70.4 158.0 129.6 67.2 4.8 171 175 A P G >4 S+ 0 0 3 0, 0.0 -35,-1.2 0, 0.0 -34,-0.8 0.860 112.9 67.9 -57.3 -33.2 127.6 70.0 3.4 172 176 A R G 34 S+ 0 0 33 1,-0.3 -37,-0.1 -36,-0.2 232,-0.1 0.713 106.3 39.0 -64.9 -13.8 129.3 72.4 5.8 173 177 A V G <4 S+ 0 0 8 -3,-1.9 231,-2.2 230,-0.1 2,-0.3 0.648 99.9 97.9-101.8 -20.1 132.6 72.0 3.9 174 178 A T B << S-Q 403 0G 1 -4,-1.1 -38,-1.6 -3,-0.5 2,-0.3 -0.537 75.8-120.2 -83.1 135.4 131.0 71.9 0.4 175 179 A S B -P 135 0F 0 227,-3.1 4,-0.3 -2,-0.3 5,-0.2 -0.455 17.1-158.9 -66.4 126.3 130.8 74.9 -1.9 176 180 A L S >> S+ 0 0 0 -42,-2.9 4,-2.8 -2,-0.3 3,-1.7 0.956 88.9 55.0 -68.4 -47.5 127.1 75.6 -2.7 177 181 A Q T 34 S+ 0 0 36 -43,-0.5 -1,-0.2 1,-0.3 -42,-0.1 0.879 112.7 41.7 -54.2 -38.8 127.9 77.5 -5.9 178 182 A N T 34 S+ 0 0 32 1,-0.1 -1,-0.3 224,-0.1 -2,-0.2 0.268 124.5 29.8 -97.8 14.3 129.9 74.7 -7.3 179 183 A T T <4 S+ 0 0 7 -3,-1.7 -2,-0.2 -4,-0.3 -3,-0.2 0.441 91.4 97.5-140.9 -17.8 127.8 71.7 -6.4 180 184 A V S < S+ 0 0 1 -4,-2.8 -1,-0.2 -5,-0.2 2,-0.1 -0.910 100.4 15.0-128.2 111.5 124.2 72.8 -6.2 181 185 A P S S- 0 0 57 0, 0.0 2,-0.5 0, 0.0 -1,-0.2 0.614 100.2-139.2 -76.8 165.6 122.9 72.1 -8.8 182 186 A L >> - 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0 0 52 -8,-2.5 -8,-0.3 -2,-0.2 2,-0.1 -0.402 49.3 -79.6 -77.8 161.0 151.7 58.3 25.8 561 105 B D > - 0 0 99 1,-0.1 4,-2.8 -2,-0.1 5,-0.2 -0.373 39.0-134.4 -63.1 131.7 155.4 58.9 26.0 562 106 B E H > S+ 0 0 79 1,-0.2 4,-3.2 2,-0.2 5,-0.2 0.856 102.1 50.1 -58.2 -42.0 156.1 62.6 26.7 563 107 B D H > S+ 0 0 105 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.917 109.5 50.6 -69.8 -37.1 158.8 63.0 24.2 564 108 B Y H > S+ 0 0 96 2,-0.2 4,-1.7 1,-0.2 3,-0.2 0.983 115.2 44.6 -61.4 -50.9 156.7 61.4 21.5 565 109 B V H X S+ 0 0 0 -4,-2.8 4,-2.4 -16,-0.3 5,-0.3 0.950 108.4 56.1 -62.4 -44.8 153.8 63.8 22.4 566 110 B Q H X S+ 0 0 56 -4,-3.2 4,-2.7 1,-0.2 -1,-0.2 0.893 105.3 52.9 -55.1 -36.5 155.9 66.9 22.7 567 111 B K H X S+ 0 0 150 -4,-1.8 4,-2.6 -3,-0.2 -1,-0.2 0.923 107.8 49.6 -65.5 -42.2 157.2 66.4 19.2 568 112 B R H X S+ 0 0 70 -4,-1.7 4,-2.4 -3,-0.2 -1,-0.2 0.905 111.8 50.6 -64.6 -35.9 153.7 66.2 17.7 569 113 B I H X S+ 0 0 26 -4,-2.4 4,-2.6 1,-0.2 5,-0.2 0.926 108.9 50.8 -66.7 -38.3 152.8 69.3 19.6 570 114 B E H X S+ 0 0 95 -4,-2.7 4,-2.3 -5,-0.3 -1,-0.2 0.929 109.3 50.1 -68.2 -37.9 155.8 71.1 18.3 571 115 B L H X S+ 0 0 92 -4,-2.6 4,-2.3 1,-0.2 5,-0.2 0.963 111.4 48.7 -63.5 -42.7 155.0 70.1 14.7 572 116 B A H X S+ 0 0 24 -4,-2.4 4,-2.0 1,-0.2 -1,-0.2 0.888 111.1 50.4 -62.5 -39.9 151.4 71.3 15.1 573 117 B D H X S+ 0 0 47 -4,-2.6 4,-2.3 -5,-0.2 -1,-0.2 0.893 108.3 52.1 -66.6 -37.7 152.6 74.6 16.5 574 118 B S H X S+ 0 0 52 -4,-2.3 4,-2.5 -5,-0.2 5,-0.2 0.920 107.5 52.3 -67.3 -35.3 155.1 75.1 13.7 575 119 B V H X S+ 0 0 15 -4,-2.3 4,-2.5 1,-0.2 -1,-0.2 0.948 109.6 50.2 -63.2 -43.9 152.3 74.6 11.1 576 120 B E H X S+ 0 0 37 -4,-2.0 4,-2.0 -5,-0.2 -1,-0.2 0.926 107.9 51.8 -62.9 -39.2 150.2 77.2 12.8 577 121 B E H X S+ 0 0 117 -4,-2.3 4,-1.8 1,-0.3 3,-0.2 0.950 108.5 50.9 -62.7 -42.9 153.0 79.7 12.9 578 122 B M H X S+ 0 0 82 -4,-2.5 4,-1.6 1,-0.3 -1,-0.3 0.902 107.9 55.9 -61.0 -32.9 153.6 79.2 9.2 579 123 B G H X S+ 0 0 0 -4,-2.5 4,-2.5 -5,-0.2 -1,-0.3 0.886 100.2 56.9 -67.8 -30.9 149.9 79.8 8.9 580 124 B E H X S+ 0 0 72 -4,-2.0 4,-1.7 -3,-0.2 -1,-0.2 0.909 105.2 51.9 -66.1 -34.3 150.2 83.1 10.7 581 125 B K H X S+ 0 0 145 -4,-1.8 4,-0.7 2,-0.2 -1,-0.2 0.915 110.4 47.5 -66.9 -36.7 152.6 84.4 8.1 582 126 B L H >X S+ 0 0 12 -4,-1.6 3,-1.4 1,-0.2 4,-0.9 0.948 108.4 55.8 -66.7 -47.6 150.4 83.4 5.2 583 127 B S H >< S+ 0 0 9 -4,-2.5 3,-0.7 1,-0.3 -1,-0.2 0.863 98.9 59.7 -52.2 -40.4 147.4 85.1 6.9 584 128 B A H 3< S+ 0 0 91 -4,-1.7 -1,-0.3 1,-0.2 -2,-0.2 0.819 106.9 49.7 -60.3 -28.2 149.1 88.4 7.2 585 129 B T H << S+ 0 0 100 -3,-1.4 -1,-0.2 -4,-0.7 -2,-0.2 0.624 84.2 110.2 -89.8 -13.3 149.5 88.5 3.5 586 130 B L S << S- 0 0 19 -4,-0.9 7,-0.1 -3,-0.7 5,-0.0 -0.287 82.7 -88.0 -66.1 146.5 145.9 87.7 2.4 587 131 B H > - 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