==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=15-MAY-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 11-APR-11 2YG7 . COMPND 2 MOLECULE: PUTRESCINE OXIDASE; . SOURCE 2 ORGANISM_SCIENTIFIC: RHODOCOCCUS ERYTHROPOLIS; . AUTHOR M.M.KOPACZ,S.ROVIDA,E.VAN DUIJN,M.W.FRAAIJE,A.MATTEVI . 900 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 34951.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 665 73.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 62 6.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 122 13.6 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 4 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 6 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 . 56 6.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 123 13.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 248 27.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 14 1.6 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 6 2 0 4 4 2 2 2 0 0 0 2 0 2 0 0 2 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 2 6 2 0 0 0 2 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 . 4 4 4 8 2 2 0 2 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 0 0 0 2 0 2 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 P 0 0 95 0, 0.0 252,-1.2 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0-178.5 9.0 -20.4 -26.0 2 3 A T E +a 253 0A 88 250,-0.2 2,-0.3 252,-0.0 252,-0.2 -0.952 360.0 165.6-125.7 140.2 12.2 -22.2 -24.7 3 4 A L E -a 254 0A 24 250,-1.8 252,-3.1 -2,-0.3 2,-0.4 -0.984 28.5-125.6-151.2 155.9 15.4 -20.6 -23.2 4 5 A Q E +a 255 0A 148 -2,-0.3 2,-0.3 250,-0.2 252,-0.2 -0.895 32.1 158.4-109.3 143.4 18.6 -21.3 -21.2 5 6 A R E -a 256 0A 60 250,-2.1 252,-0.7 -2,-0.4 253,-0.2 -0.957 48.4-118.7-150.5 159.7 19.7 -19.6 -18.0 6 7 A D E S+ 0 0 59 23,-0.5 252,-1.8 -2,-0.3 251,-0.8 0.934 102.7 22.6 -64.5 -47.6 22.0 -20.3 -15.1 7 8 A V E -ab 258 30A 1 22,-2.1 24,-1.5 250,-0.2 2,-0.5 -0.977 64.7-155.9-126.2 126.7 19.1 -20.2 -12.6 8 9 A A E -ab 259 31A 0 250,-2.8 252,-3.1 -2,-0.4 2,-0.6 -0.891 18.1-156.4 -96.9 127.5 15.3 -20.6 -13.1 9 10 A I E -ab 260 32A 0 22,-3.9 24,-3.4 -2,-0.5 2,-0.7 -0.926 3.2-153.1-112.0 122.6 13.4 -18.9 -10.4 10 11 A V E +ab 261 33A 7 250,-3.4 252,-2.4 -2,-0.6 24,-0.2 -0.844 67.4 17.0 -98.4 111.2 9.8 -20.1 -9.5 11 12 A G - 0 0 7 22,-3.0 23,-0.2 -2,-0.7 2,-0.1 0.422 63.1-134.9 98.0 127.9 7.7 -17.2 -8.1 12 13 A A + 0 0 0 26,-0.2 28,-3.1 4,-0.1 29,-0.2 -0.363 57.4 127.2-112.1 50.7 8.3 -13.5 -8.2 13 14 A G S > S- 0 0 12 249,-0.4 4,-2.4 26,-0.2 5,-0.3 -0.327 85.3 -80.5 -83.4-175.8 7.5 -12.6 -4.6 14 15 A P H > S+ 0 0 16 0, 0.0 4,-2.4 0, 0.0 5,-0.2 0.886 130.5 54.6 -61.0 -32.5 10.1 -10.6 -2.7 15 16 A S H > S+ 0 0 7 2,-0.2 4,-2.2 1,-0.2 5,-0.2 0.988 111.1 41.4 -63.9 -59.3 12.1 -13.7 -2.0 16 17 A G H > S+ 0 0 0 246,-0.4 4,-2.7 2,-0.2 -1,-0.2 0.935 116.5 49.5 -51.4 -45.9 12.5 -14.9 -5.6 17 18 A L H X S+ 0 0 0 -4,-2.4 4,-3.3 1,-0.2 -1,-0.2 0.944 107.6 54.3 -65.6 -44.2 13.1 -11.3 -6.9 18 19 A A H X S+ 0 0 0 -4,-2.4 4,-2.2 -5,-0.3 -1,-0.2 0.894 111.0 46.7 -47.8 -48.3 15.8 -10.8 -4.2 19 20 A A H X S+ 0 0 0 -4,-2.2 4,-2.5 2,-0.2 -2,-0.2 0.942 111.4 50.6 -61.3 -48.4 17.5 -13.9 -5.4 20 21 A A H X S+ 0 0 0 -4,-2.7 4,-2.6 1,-0.2 -2,-0.2 0.946 110.4 50.7 -56.0 -48.8 17.2 -12.8 -9.0 21 22 A T H X S+ 0 0 30 -4,-3.3 4,-2.3 1,-0.2 -1,-0.2 0.926 112.9 43.9 -50.2 -54.5 18.7 -9.4 -8.2 22 23 A A H X S+ 0 0 25 -4,-2.2 4,-0.9 1,-0.2 -1,-0.2 0.800 112.1 53.5 -67.6 -31.7 21.7 -10.9 -6.3 23 24 A L H ><>S+ 0 0 0 -4,-2.5 5,-2.2 2,-0.2 3,-0.6 0.928 108.8 48.3 -71.0 -43.7 22.3 -13.5 -9.0 24 25 A R H ><5S+ 0 0 101 -4,-2.6 3,-2.6 1,-0.2 -2,-0.2 0.928 105.0 59.6 -59.2 -45.5 22.4 -10.8 -11.8 25 26 A K H 3<5S+ 0 0 160 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.819 104.8 51.1 -50.8 -31.8 24.8 -8.7 -9.7 26 27 A A T <<5S- 0 0 46 -4,-0.9 -1,-0.3 -3,-0.6 -2,-0.2 0.210 124.8-103.7 -94.9 16.3 27.1 -11.7 -9.8 27 28 A G T < 5S+ 0 0 69 -3,-2.6 2,-0.4 1,-0.3 -3,-0.2 0.680 77.9 134.7 74.2 21.1 26.9 -12.0 -13.6 28 29 A L < - 0 0 29 -5,-2.2 2,-0.3 -6,-0.1 -1,-0.3 -0.832 52.6-124.8-105.6 142.5 24.6 -15.0 -13.6 29 30 A S - 0 0 41 -2,-0.4 -22,-2.1 -3,-0.1 -23,-0.5 -0.616 29.5-172.8 -91.0 145.2 21.5 -15.1 -15.8 30 31 A V E -b 7 0A 0 -2,-0.3 2,-0.4 -24,-0.2 -22,-0.2 -0.891 22.3-158.0-131.3 157.2 18.0 -15.7 -14.5 31 32 A A E -b 8 0A 0 -24,-1.5 -22,-3.9 -2,-0.3 2,-0.7 -0.973 14.1-159.2-128.7 121.3 14.4 -16.4 -15.5 32 33 A V E -bc 9 228A 0 195,-3.2 197,-3.1 -2,-0.4 2,-0.6 -0.906 7.6-163.9-102.1 117.8 11.7 -15.6 -13.0 33 34 A I E -bc 10 229A 2 -24,-3.4 -22,-3.0 -2,-0.7 2,-0.4 -0.895 8.9-172.4-106.6 119.6 8.5 -17.5 -13.7 34 35 A E - 0 0 11 195,-2.8 198,-3.2 -2,-0.6 5,-0.0 -0.909 23.4-152.0-120.4 137.5 5.4 -16.1 -11.9 35 36 A A S S+ 0 0 20 -2,-0.4 -1,-0.1 196,-0.2 4,-0.1 0.852 76.6 64.8 -72.3 -38.0 1.8 -17.6 -11.7 36 37 A R S S- 0 0 21 2,-0.3 195,-2.4 196,-0.1 196,-0.3 -0.271 90.3-111.8 -83.7 171.0 -0.1 -14.3 -11.3 37 38 A D S S+ 0 0 119 193,-0.2 2,-0.3 194,-0.1 193,-0.1 -0.000 101.8 44.0 -85.3 25.8 -0.5 -11.3 -13.7 38 39 A R S S- 0 0 29 6,-0.0 -2,-0.3 0, 0.0 2,-0.2 -0.960 78.9-121.4-154.6 164.6 1.6 -9.3 -11.1 39 40 A V S S+ 0 0 14 -2,-0.3 -26,-0.2 1,-0.1 179,-0.1 -0.602 77.3 66.4 -98.0 170.8 4.8 -9.6 -9.0 40 41 A G > - 0 0 0 -28,-3.1 3,-2.1 -2,-0.2 -27,-0.2 0.168 65.6-159.9 108.5 -18.7 5.1 -9.2 -5.2 41 42 A G T 3 S+ 0 0 9 1,-0.3 -28,-0.1 -29,-0.2 348,-0.0 -0.212 80.9 17.5 54.1-110.7 3.1 -12.3 -4.1 42 43 A R T 3 S+ 0 0 48 -2,-0.1 15,-2.2 14,-0.1 2,-0.4 0.323 121.6 72.0 -79.1 6.5 2.0 -11.7 -0.5 43 44 A T < + 0 0 3 -3,-2.1 2,-0.2 13,-0.3 15,-0.1 -0.958 62.1 153.7-115.1 142.7 2.7 -8.1 -0.9 44 45 A W - 0 0 58 -2,-0.4 11,-1.4 13,-0.3 12,-0.9 -0.738 28.1-159.8-174.5 115.9 0.2 -6.1 -3.0 45 46 A T E +I 54 0B 30 9,-0.2 2,-0.3 -2,-0.2 9,-0.2 -0.881 28.0 161.5 -97.0 132.7 -0.9 -2.5 -3.2 46 47 A D E -I 53 0B 69 7,-2.0 7,-2.5 -2,-0.4 2,-0.6 -0.991 39.7-116.0-151.7 153.5 -4.3 -1.9 -4.9 47 48 A T E -I 52 0B 83 -2,-0.3 2,-0.4 5,-0.2 5,-0.2 -0.852 29.9-177.2 -94.4 117.3 -7.0 0.7 -5.1 48 49 A I E > S-I 51 0B 34 3,-2.3 3,-2.5 -2,-0.6 -2,-0.0 -0.980 73.6 -19.6-111.3 129.3 -10.4 -0.4 -3.7 49 50 A D T 3 S- 0 0 126 -2,-0.4 -1,-0.1 1,-0.3 3,-0.1 0.834 130.6 -50.1 40.3 42.0 -13.4 2.0 -4.0 50 51 A G T 3 S+ 0 0 54 1,-0.2 2,-0.4 -3,-0.0 -1,-0.3 0.650 114.1 117.2 79.1 15.5 -10.8 4.9 -4.5 51 52 A A E < -I 48 0B 4 -3,-2.5 -3,-2.3 248,-0.0 2,-0.7 -0.966 62.5-134.2-119.5 126.7 -8.7 4.0 -1.5 52 53 A V E +I 47 0B 71 -2,-0.4 2,-0.3 -5,-0.2 -5,-0.2 -0.719 37.7 177.6 -83.1 117.7 -5.0 2.9 -1.8 53 54 A L E -I 46 0B 1 -7,-2.5 -7,-2.0 -2,-0.7 2,-1.2 -0.907 36.0-130.1-130.1 146.5 -4.6 -0.1 0.5 54 55 A E E -I 45 0B 4 -2,-0.3 -9,-0.2 -9,-0.2 -2,-0.0 -0.738 24.4-178.7 -98.7 89.7 -1.9 -2.5 1.4 55 56 A I + 0 0 2 -11,-1.4 -1,-0.2 -2,-1.2 -10,-0.2 0.870 67.4 20.9 -55.8 -41.6 -3.5 -5.9 0.9 56 57 A G S S- 0 0 7 -12,-0.9 -13,-0.3 1,-0.3 -14,-0.1 0.148 115.8 -12.6-104.5-141.5 -0.4 -7.9 2.0 57 58 A G + 0 0 32 -15,-2.2 -13,-0.3 1,-0.1 -1,-0.3 -0.294 60.0 154.7 -59.8 144.8 2.8 -7.3 4.0 58 59 A Q + 0 0 5 155,-0.1 151,-0.7 -3,-0.1 2,-0.2 0.555 31.8 91.0-147.3 -15.8 3.5 -3.6 4.7 59 60 A W E -J 208 0C 35 149,-0.1 2,-0.4 145,-0.0 373,-0.2 -0.649 44.5-159.7-108.4 157.7 5.6 -2.9 7.8 60 61 A V E -J 207 0C 3 147,-2.4 147,-2.3 -2,-0.2 145,-0.0 -0.992 7.9-162.2-139.2 118.6 9.3 -2.4 8.4 61 62 A S > - 0 0 1 -2,-0.4 3,-1.9 145,-0.2 7,-0.2 -0.650 32.3-110.7-103.6 161.0 10.9 -2.7 11.8 62 63 A P T 3 S+ 0 0 54 0, 0.0 6,-0.1 0, 0.0 -1,-0.1 0.816 116.0 57.5 -62.9 -31.7 14.4 -1.3 12.9 63 64 A D T 3 S+ 0 0 34 1,-0.2 2,-1.6 129,-0.2 3,-0.3 0.514 81.9 93.4 -73.7 -2.6 15.9 -4.8 13.2 64 65 A Q <> + 0 0 5 -3,-1.9 4,-2.6 1,-0.2 3,-0.2 -0.404 46.3 151.8 -90.4 63.3 15.0 -5.5 9.5 65 66 A T H > + 0 0 82 -2,-1.6 4,-2.6 1,-0.2 -1,-0.2 0.806 62.6 58.0 -72.8 -37.5 18.4 -4.4 8.1 66 67 A A H > S+ 0 0 15 -3,-0.3 4,-1.9 2,-0.2 -1,-0.2 0.926 114.8 40.7 -51.1 -48.1 18.5 -6.5 4.9 67 68 A L H > S+ 0 0 0 2,-0.2 4,-3.0 1,-0.2 -2,-0.2 0.896 111.4 53.8 -73.2 -43.9 15.2 -4.9 3.9 68 69 A I H X S+ 0 0 74 -4,-2.6 4,-2.2 1,-0.2 -1,-0.2 0.899 111.3 49.5 -55.8 -40.3 16.2 -1.4 5.0 69 70 A S H X S+ 0 0 82 -4,-2.6 4,-1.9 2,-0.2 -2,-0.2 0.898 111.6 46.5 -60.6 -48.7 19.4 -1.8 2.8 70 71 A L H X S+ 0 0 6 -4,-1.9 4,-1.5 2,-0.2 -2,-0.2 0.909 110.1 54.5 -61.8 -47.3 17.4 -3.0 -0.2 71 72 A L H ><>S+ 0 0 6 -4,-3.0 5,-2.2 1,-0.2 3,-0.9 0.955 111.2 44.0 -47.9 -58.7 14.9 -0.1 0.3 72 73 A D H ><5S+ 0 0 135 -4,-2.2 3,-0.9 1,-0.2 -1,-0.2 0.843 112.4 54.0 -57.6 -36.5 17.7 2.4 0.2 73 74 A E H 3<5S+ 0 0 117 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.725 110.7 46.0 -70.9 -23.0 19.4 0.6 -2.7 74 75 A L T <<5S- 0 0 32 -4,-1.5 -1,-0.2 -3,-0.9 -2,-0.2 0.348 116.0-112.6-101.5 4.9 16.1 0.8 -4.8 75 76 A G T < 5 + 0 0 53 -3,-0.9 2,-0.4 -4,-0.4 -3,-0.2 0.752 68.7 139.5 69.5 28.9 15.4 4.5 -3.9 76 77 A L < - 0 0 11 -5,-2.2 -1,-0.2 -6,-0.2 2,-0.2 -0.821 35.6-153.7-102.9 144.5 12.4 3.9 -1.8 77 78 A K - 0 0 156 133,-0.4 133,-2.4 -2,-0.4 2,-0.2 -0.679 3.3-144.7-115.2 169.9 11.7 5.8 1.4 78 79 A T E -K 209 0C 50 131,-0.3 2,-0.3 -2,-0.2 131,-0.2 -0.673 5.9-160.1-127.8 175.6 9.8 5.2 4.6 79 80 A F E -K 208 0C 31 129,-1.3 129,-2.0 -2,-0.2 2,-0.2 -0.982 28.1 -96.0-156.9 157.9 7.6 6.9 7.3 80 81 A E E -K 207 0C 113 -2,-0.3 127,-0.2 127,-0.2 2,-0.2 -0.502 33.0-118.2 -76.6 142.8 6.5 6.4 10.9 81 82 A R - 0 0 8 125,-2.5 246,-0.1 124,-0.2 -1,-0.1 -0.586 47.5 -97.3 -64.1 140.8 3.1 4.9 11.8 82 83 A Y + 0 0 62 -2,-0.2 244,-0.2 246,-0.2 -1,-0.1 -0.363 55.4 161.7 -60.8 142.9 1.2 7.6 13.8 83 84 A R + 0 0 73 -3,-0.1 -1,-0.1 229,-0.0 228,-0.1 0.395 20.2 125.6-149.8 3.7 1.6 7.0 17.5 84 85 A E + 0 0 145 227,-0.1 2,-0.2 226,-0.1 -2,-0.0 -0.422 63.1 21.2 -68.0 147.5 0.7 10.1 19.6 85 86 A G S S- 0 0 38 226,-0.1 2,-0.3 -2,-0.1 225,-0.3 -0.466 98.5 -32.2 95.5-163.2 -1.9 9.6 22.3 86 87 A E E -l 310 0D 61 223,-2.1 225,-2.5 -2,-0.2 226,-0.6 -0.653 43.8-138.0-103.1 145.9 -3.2 6.6 24.2 87 88 A S E - M 0 99D 13 12,-2.7 12,-2.6 -2,-0.3 2,-0.5 -0.561 20.1-127.3 -90.7 165.3 -3.8 3.0 23.2 88 89 A V E -lM 314 98D 0 225,-2.3 227,-1.9 10,-0.2 2,-0.4 -0.957 18.8-166.9-115.9 130.4 -6.8 1.0 24.2 89 90 A Y E -lM 315 97D 2 8,-2.3 8,-2.3 -2,-0.5 2,-0.6 -0.949 5.9-158.4-114.6 137.5 -6.6 -2.3 26.0 90 91 A I E - M 0 96D 3 225,-2.6 228,-0.5 -2,-0.4 6,-0.2 -0.931 18.6-143.6-117.3 107.6 -9.6 -4.7 26.3 91 92 A S > - 0 0 18 4,-2.6 3,-1.9 -2,-0.6 227,-0.1 0.109 29.3 -98.9 -57.4 172.0 -9.3 -7.2 29.2 92 93 A S T 3 S+ 0 0 49 1,-0.3 -1,-0.1 2,-0.1 224,-0.0 0.854 126.9 57.7 -62.1 -35.1 -10.5 -10.8 29.3 93 94 A A T 3 S- 0 0 93 2,-0.1 -1,-0.3 1,-0.1 -2,-0.1 0.419 123.4-108.3 -74.5 -1.7 -13.6 -9.6 31.1 94 95 A G < + 0 0 44 -3,-1.9 2,-0.4 1,-0.2 -2,-0.1 0.442 69.0 148.6 84.2 1.2 -14.3 -7.2 28.1 95 96 A E - 0 0 129 -5,-0.1 -4,-2.6 1,-0.0 2,-0.4 -0.594 37.4-146.9 -76.1 125.0 -13.3 -4.0 30.0 96 97 A R E +M 90 0D 92 -2,-0.4 2,-0.4 -6,-0.2 -6,-0.2 -0.750 21.5 175.0 -94.9 128.0 -11.9 -1.2 27.8 97 98 A T E -M 89 0D 43 -8,-2.3 -8,-2.3 -2,-0.4 2,-0.2 -0.998 24.8-133.9-141.4 127.2 -9.2 1.0 29.4 98 99 A R E +M 88 0D 86 -2,-0.4 2,-0.3 -10,-0.2 -10,-0.2 -0.533 35.3 167.6 -79.9 150.3 -7.1 3.8 27.8 99 100 A Y E -M 87 0D 17 -12,-2.6 -12,-2.7 -2,-0.2 2,-0.3 -0.996 33.3-155.5-157.7 150.6 -3.4 3.7 28.6 100 101 A T + 0 0 104 -2,-0.3 2,-0.2 -14,-0.2 3,-0.1 -0.892 57.0 78.0-111.8 156.0 -0.0 5.1 27.7 101 102 A G S S- 0 0 57 -2,-0.3 -14,-0.1 1,-0.1 -2,-0.1 -0.624 84.7 -90.1 133.8 169.6 3.0 3.0 28.6 102 103 A D S S+ 0 0 133 -2,-0.2 2,-0.3 2,-0.1 -1,-0.1 0.706 105.3 57.9 -87.9 -18.9 5.0 -0.1 27.5 103 104 A S S S- 0 0 54 -3,-0.1 -3,-0.1 97,-0.0 8,-0.1 -0.875 89.7-101.5-120.4 147.0 2.8 -2.4 29.6 104 105 A F - 0 0 15 -2,-0.3 2,-2.7 1,-0.1 -2,-0.1 -0.321 33.5-114.7 -64.4 137.2 -1.0 -3.3 29.6 105 106 A P + 0 0 40 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 -0.368 66.5 136.9 -76.7 71.6 -3.2 -1.8 32.4 106 107 A T - 0 0 15 -2,-2.7 -3,-0.0 1,-0.2 2,-0.0 -0.506 64.4 -77.9 -99.9 174.7 -4.1 -5.1 34.1 107 108 A N > - 0 0 43 -2,-0.2 4,-2.4 500,-0.1 -1,-0.2 -0.334 54.2 -97.0 -65.5 162.8 -4.2 -5.8 37.8 108 109 A E H > S+ 0 0 107 2,-0.2 4,-3.1 1,-0.2 5,-0.3 0.851 120.3 56.4 -50.2 -48.4 -0.7 -6.2 39.5 109 110 A T H > S+ 0 0 58 2,-0.2 4,-2.4 1,-0.2 3,-0.3 0.967 111.6 41.0 -53.2 -62.8 -0.8 -10.0 39.4 110 111 A T H > S+ 0 0 1 1,-0.2 4,-3.2 497,-0.2 5,-0.2 0.896 113.8 55.6 -50.8 -45.5 -1.3 -10.2 35.6 111 112 A K H X S+ 0 0 59 -4,-2.4 4,-2.0 1,-0.2 -1,-0.2 0.921 110.4 43.8 -54.6 -47.9 1.2 -7.4 35.2 112 113 A K H X S+ 0 0 143 -4,-3.1 4,-2.1 -3,-0.3 -2,-0.2 0.907 114.3 50.0 -65.9 -40.2 4.0 -9.3 37.1 113 114 A E H X S+ 0 0 39 -4,-2.4 4,-2.4 -5,-0.3 5,-0.2 0.927 109.1 51.9 -66.0 -45.5 3.2 -12.6 35.3 114 115 A M H X S+ 0 0 13 -4,-3.2 4,-2.8 -5,-0.2 -1,-0.2 0.928 110.1 49.3 -51.2 -49.2 3.4 -10.9 31.9 115 116 A D H X S+ 0 0 77 -4,-2.0 4,-2.2 -5,-0.2 -1,-0.2 0.873 110.3 50.4 -62.9 -36.4 6.8 -9.4 32.8 116 117 A R H X S+ 0 0 96 -4,-2.1 4,-2.2 2,-0.2 -1,-0.2 0.907 112.7 46.3 -68.0 -41.0 8.0 -12.7 33.9 117 118 A L H X S+ 0 0 0 -4,-2.4 4,-2.9 2,-0.2 5,-0.2 0.884 110.3 52.9 -66.4 -40.2 6.9 -14.4 30.7 118 119 A I H X S+ 0 0 20 -4,-2.8 4,-2.7 1,-0.2 77,-0.2 0.964 113.2 44.7 -63.0 -46.7 8.4 -11.6 28.5 119 120 A D H X S+ 0 0 91 -4,-2.2 4,-2.4 1,-0.2 -1,-0.2 0.900 112.6 50.8 -65.1 -37.4 11.7 -12.1 30.3 120 121 A E H X S+ 0 0 55 -4,-2.2 4,-2.3 1,-0.2 -1,-0.2 0.909 112.9 45.6 -68.3 -37.9 11.5 -15.8 30.1 121 122 A M H X S+ 0 0 1 -4,-2.9 4,-2.3 1,-0.2 -2,-0.2 0.868 110.5 54.1 -69.8 -37.6 10.7 -15.6 26.3 122 123 A D H X S+ 0 0 32 -4,-2.7 4,-2.4 -5,-0.2 -2,-0.2 0.940 110.4 46.7 -61.4 -44.8 13.5 -13.1 25.8 123 124 A D H X S+ 0 0 99 -4,-2.4 4,-2.9 2,-0.2 5,-0.3 0.951 111.4 49.9 -65.1 -50.5 16.1 -15.5 27.5 124 125 A L H X S+ 0 0 20 -4,-2.3 4,-3.2 1,-0.2 5,-0.3 0.916 113.6 47.2 -54.6 -42.8 15.0 -18.6 25.5 125 126 A A H X S+ 0 0 6 -4,-2.3 4,-1.9 2,-0.2 -1,-0.2 0.896 111.1 50.7 -68.1 -37.2 15.2 -16.6 22.3 126 127 A A H < S+ 0 0 86 -4,-2.4 -2,-0.2 -5,-0.2 -1,-0.2 0.945 118.5 38.1 -64.5 -41.6 18.6 -15.2 23.2 127 128 A Q H < S+ 0 0 116 -4,-2.9 -2,-0.2 -5,-0.1 -3,-0.2 0.937 123.6 40.4 -71.5 -47.6 19.9 -18.8 24.0 128 129 A I H < S- 0 0 12 -4,-3.2 4,-0.4 -5,-0.3 -3,-0.2 0.872 89.7-162.0 -77.7 -42.6 18.1 -20.6 21.2 129 130 A G < - 0 0 25 -4,-1.9 61,-0.2 -5,-0.3 62,-0.1 0.109 30.3-100.9 80.0 161.6 18.4 -18.2 18.2 130 131 A A S S+ 0 0 8 60,-0.3 -1,-0.1 2,-0.1 61,-0.1 0.504 106.1 73.2 -95.2 -10.4 16.5 -18.0 14.9 131 132 A E S S- 0 0 78 1,-0.2 -2,-0.1 295,-0.1 3,-0.1 0.971 119.8 -4.7 -73.4 -57.4 19.1 -19.8 12.8 132 133 A E > + 0 0 112 -4,-0.4 3,-1.9 1,-0.1 4,-0.4 -0.450 66.6 163.3-137.1 67.7 18.9 -23.4 14.0 133 134 A P G > S+ 0 0 0 0, 0.0 3,-1.7 0, 0.0 6,-0.1 0.885 77.9 61.5 -45.8 -43.0 16.3 -23.6 16.8 134 135 A W G 3 S+ 0 0 44 1,-0.3 6,-0.2 269,-0.2 5,-0.1 0.770 95.4 60.0 -60.0 -28.4 16.1 -27.3 16.2 135 136 A A G < S+ 0 0 61 -3,-1.9 -1,-0.3 -7,-0.1 269,-0.0 0.570 79.8 104.7 -82.1 -5.3 19.9 -27.9 17.0 136 137 A H S X S- 0 0 46 -3,-1.7 3,-2.6 -4,-0.4 4,-0.3 -0.526 79.5-125.0 -78.7 138.1 19.6 -26.5 20.6 137 138 A P T 3 S+ 0 0 118 0, 0.0 3,-0.4 0, 0.0 4,-0.3 0.803 111.6 56.2 -54.7 -27.5 19.7 -29.1 23.3 138 139 A L T 3> S+ 0 0 63 1,-0.2 4,-1.9 2,-0.1 5,-0.2 0.447 82.3 94.1 -79.3 0.7 16.4 -27.7 24.7 139 140 A A H <> S+ 0 0 2 -3,-2.6 4,-2.2 1,-0.2 -1,-0.2 0.919 77.4 52.1 -64.5 -50.2 14.7 -28.1 21.4 140 141 A R H > S+ 0 0 153 -3,-0.4 4,-0.9 -4,-0.3 3,-0.2 0.940 113.6 43.9 -49.6 -55.1 13.0 -31.5 21.9 141 142 A D H >4 S+ 0 0 115 -4,-0.3 3,-0.5 1,-0.2 -1,-0.2 0.906 117.8 45.1 -57.6 -46.4 11.3 -30.5 25.2 142 143 A L H 3< S+ 0 0 13 -4,-1.9 41,-1.8 1,-0.2 40,-0.6 0.752 113.5 50.0 -68.6 -27.3 10.2 -27.1 23.9 143 144 A D H 3< S+ 0 0 0 -4,-2.2 258,-0.5 39,-0.2 -1,-0.2 0.461 103.2 57.1-100.5 -1.0 8.9 -28.5 20.6 144 145 A T S << S+ 0 0 70 -4,-0.9 2,-0.4 -3,-0.5 -1,-0.2 0.268 97.7 68.3-110.5 12.1 6.8 -31.3 21.9 145 146 A V S S- 0 0 27 -3,-0.4 37,-1.9 -4,-0.1 38,-0.3 -0.972 87.7-116.4-124.0 138.9 4.6 -29.2 24.1 146 147 A S B > -R 181 0E 20 -2,-0.4 4,-2.4 35,-0.3 35,-0.3 -0.372 23.9-116.8 -67.4 157.8 2.1 -26.6 22.6 147 148 A F H > S+ 0 0 0 33,-2.6 4,-2.3 30,-0.6 5,-0.2 0.921 118.5 56.9 -62.4 -38.6 2.7 -23.0 23.3 148 149 A K H > S+ 0 0 111 29,-2.3 4,-1.9 32,-0.4 -1,-0.2 0.935 109.7 42.1 -51.5 -50.3 -0.7 -23.2 25.1 149 150 A Q H > S+ 0 0 87 28,-0.3 4,-2.7 1,-0.2 -1,-0.2 0.880 111.5 55.6 -72.9 -37.3 0.4 -26.0 27.4 150 151 A W H X S+ 0 0 17 -4,-2.4 4,-1.3 1,-0.2 -1,-0.2 0.915 106.7 49.9 -58.4 -44.3 3.8 -24.4 28.0 151 152 A L H >X S+ 0 0 5 -4,-2.3 4,-2.6 1,-0.2 3,-0.5 0.897 108.9 52.6 -65.7 -37.8 2.2 -21.2 29.2 152 153 A I H 3< S+ 0 0 62 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.930 108.4 51.5 -62.3 -43.2 0.0 -23.2 31.5 153 154 A N H 3< S+ 0 0 97 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.706 116.3 40.5 -58.6 -28.0 3.2 -24.8 32.9 154 155 A Q H << S+ 0 0 51 -4,-1.3 2,-0.4 -3,-0.5 -2,-0.2 0.753 121.4 23.4 -94.3 -35.6 4.8 -21.4 33.5 155 156 A S < - 0 0 2 -4,-2.6 -1,-0.3 -5,-0.2 6,-0.0 -0.999 47.2-152.8-145.4 142.2 2.0 -19.4 34.9 156 157 A D S S+ 0 0 55 -2,-0.4 2,-0.9 -3,-0.1 405,-0.2 0.512 70.4 105.8 -81.2 -9.1 -1.4 -19.8 36.6 157 158 A D > - 0 0 19 1,-0.2 4,-2.4 -48,-0.1 5,-0.2 -0.667 51.2-166.6 -92.8 104.0 -2.7 -16.5 35.2 158 159 A A H > S+ 0 0 43 -2,-0.9 4,-2.7 1,-0.2 -1,-0.2 0.880 88.2 48.6 -49.9 -49.5 -5.3 -16.9 32.4 159 160 A E H > S+ 0 0 26 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.900 110.4 49.9 -67.4 -39.6 -5.1 -13.3 31.2 160 161 A A H > S+ 0 0 0 2,-0.2 4,-3.3 -3,-0.2 5,-0.3 0.953 112.8 47.6 -63.4 -49.0 -1.3 -13.1 31.1 161 162 A R H X S+ 0 0 46 -4,-2.4 4,-3.3 1,-0.2 -2,-0.2 0.918 112.2 49.7 -55.6 -44.9 -1.2 -16.3 29.0 162 163 A D H X S+ 0 0 75 -4,-2.7 4,-2.4 -5,-0.2 -1,-0.2 0.919 113.6 46.3 -61.5 -43.8 -3.9 -15.0 26.7 163 164 A N H X S+ 0 0 1 -4,-2.6 4,-0.9 2,-0.2 -2,-0.2 0.855 113.4 47.3 -68.8 -41.9 -1.9 -11.7 26.3 164 165 A I H >X S+ 0 0 0 -4,-3.3 3,-1.1 2,-0.2 4,-0.8 0.962 111.9 52.7 -59.4 -48.8 1.4 -13.4 25.7 165 166 A G H >X>S+ 0 0 8 -4,-3.3 4,-2.5 -5,-0.3 3,-1.3 0.893 98.4 64.6 -52.8 -45.9 -0.4 -15.7 23.2 166 167 A L H 3<>S+ 0 0 5 -4,-2.4 5,-1.9 1,-0.2 -1,-0.3 0.883 100.2 53.2 -40.5 -45.1 -1.9 -12.7 21.3 167 168 A F H <<5S+ 0 0 12 -3,-1.1 -1,-0.2 -4,-0.9 -2,-0.2 0.770 124.4 20.6 -73.0 -22.8 1.7 -11.7 20.3 168 169 A I H S+ 0 0 0 -3,-1.3 5,-2.9 -4,-0.8 4,-2.4 0.814 127.1 44.0-108.2 -55.7 2.7 -15.0 18.8 169 170 A A I <>S+ 0 0 8 -4,-2.5 5,-1.9 2,-0.2 6,-0.6 0.993 134.6 12.8 -62.6 -70.2 -0.4 -16.8 18.0 170 171 A G I 4 - 0 0 21 0, 0.0 3,-2.1 0, 0.0 4,-0.3 -0.360 36.3-115.0 -61.9 148.5 -4.2 -21.0 17.7 177 178 A A T 3 S+ 0 0 22 1,-0.3 -29,-2.3 2,-0.2 -30,-0.6 0.618 113.3 63.1 -56.3 -18.4 -1.8 -21.5 20.6 178 179 A H T 3 S+ 0 0 94 1,-0.2 -1,-0.3 -31,-0.2 -32,-0.1 0.638 98.8 58.0 -82.9 -9.5 -2.8 -25.1 21.0 179 180 A S S < S+ 0 0 42 -3,-2.1 221,-0.5 -33,-0.1 2,-0.3 0.458 102.8 44.8-102.0 -3.1 -1.6 -25.9 17.5 180 181 A F S S- 0 0 0 -3,-0.4 -33,-2.6 -4,-0.3 -32,-0.4 -0.938 81.9-103.7-140.8 164.5 2.2 -24.9 17.5 181 182 A S B > -R 146 0E 0 -35,-0.3 4,-2.2 -2,-0.3 3,-0.5 -0.372 22.8-113.2 -98.2 160.5 5.0 -25.5 20.0 182 183 A A H > S+ 0 0 1 -37,-1.9 4,-2.7 -40,-0.6 -39,-0.2 0.899 119.6 57.8 -48.3 -42.0 6.8 -23.5 22.6 183 184 A L H > S+ 0 0 0 -41,-1.8 4,-3.0 -38,-0.3 -1,-0.2 0.907 104.1 50.7 -57.1 -40.6 9.9 -23.9 20.3 184 185 A Q H > S+ 0 0 4 -3,-0.5 4,-2.2 1,-0.2 -1,-0.2 0.898 109.3 50.9 -68.1 -40.6 8.0 -22.3 17.5 185 186 A A H X S+ 0 0 0 -4,-2.2 4,-2.3 2,-0.2 -1,-0.2 0.939 112.0 47.3 -56.6 -48.9 7.0 -19.4 19.8 186 187 A V H X S+ 0 0 1 -4,-2.7 4,-2.9 1,-0.2 5,-0.2 0.958 109.5 53.2 -57.5 -52.8 10.7 -19.0 20.8 187 188 A L H X S+ 0 0 11 -4,-3.0 4,-2.0 1,-0.2 -1,-0.2 0.863 107.6 52.3 -51.3 -44.6 11.8 -19.1 17.1 188 189 A M H X S+ 0 0 2 -4,-2.2 4,-1.1 2,-0.2 3,-0.3 0.965 111.2 46.5 -55.3 -54.5 9.3 -16.3 16.3 189 190 A A H ><>S+ 0 0 0 -4,-2.3 5,-1.7 1,-0.2 3,-0.9 0.921 110.9 51.9 -55.7 -47.2 10.7 -14.1 19.0 190 191 A A H ><5S+ 0 0 11 -4,-2.9 3,-1.3 1,-0.2 -60,-0.3 0.869 104.7 57.4 -59.4 -35.7 14.3 -14.8 18.0 191 192 A S H 3<5S+ 0 0 5 -4,-2.0 237,-1.7 1,-0.3 -1,-0.2 0.764 106.6 47.2 -70.2 -24.7 13.6 -13.8 14.4 192 193 A A T <<5S- 0 0 7 -4,-1.1 -1,-0.3 -3,-0.9 -2,-0.2 0.375 126.3-103.4 -91.3 0.1 12.4 -10.3 15.5 193 194 A G T < 5S- 0 0 45 -3,-1.3 2,-0.2 -4,-0.3 -3,-0.2 0.276 88.1 -8.7 93.2 -10.8 15.5 -10.1 17.6 194 195 A S >< - 0 0 22 -5,-1.7 4,-1.0 -6,-0.2 -72,-0.1 -0.795 69.5-101.0 166.8 165.3 13.5 -10.8 20.9 195 196 A F H >> S+ 0 0 0 -2,-0.2 4,-1.2 -77,-0.2 3,-0.5 0.910 118.0 61.3 -71.2 -38.3 10.1 -11.2 22.4 196 197 A S H >> S+ 0 0 47 1,-0.3 4,-2.1 2,-0.2 3,-0.7 0.902 101.3 55.4 -53.7 -38.7 10.2 -7.6 23.8 197 198 A H H 34 S+ 0 0 56 1,-0.2 7,-0.7 2,-0.2 -1,-0.3 0.869 105.5 50.6 -59.8 -40.2 10.5 -6.5 20.2 198 199 A L H << S+ 0 0 7 -4,-1.0 -1,-0.2 -3,-0.5 -2,-0.2 0.701 110.6 52.1 -66.6 -20.8 7.3 -8.3 19.3 199 200 A V H << S+ 0 0 23 -4,-1.2 2,-1.1 -3,-0.7 -2,-0.2 0.915 94.6 69.1 -88.4 -46.7 5.6 -6.7 22.2 200 201 A D >X - 0 0 41 -4,-2.1 3,-2.5 1,-0.2 4,-1.7 -0.637 63.5-167.0 -74.2 96.6 6.4 -3.1 21.5 201 202 A E H 3> S+ 0 0 23 -2,-1.1 4,-1.8 1,-0.3 -1,-0.2 0.736 85.3 72.7 -56.6 -23.3 4.3 -2.3 18.4 202 203 A D H 34 S+ 0 0 58 2,-0.1 -1,-0.3 1,-0.1 -121,-0.1 0.662 108.7 35.2 -61.9 -15.8 6.5 0.9 18.1 203 204 A F H X4 S+ 0 0 32 -3,-2.5 3,-1.3 -6,-0.3 4,-0.3 0.864 123.7 35.0-100.5 -61.7 9.1 -1.5 17.1 204 205 A I H 3< S+ 0 0 14 -4,-1.7 -3,-0.2 -7,-0.7 -2,-0.1 0.826 130.0 35.9 -72.6 -29.3 7.6 -4.3 15.0 205 206 A L T 3< S+ 0 0 17 -4,-1.8 -1,-0.3 -5,-0.3 -124,-0.2 -0.044 86.5 125.2-110.2 31.2 5.0 -2.0 13.4 206 207 A D < + 0 0 18 -3,-1.3 -125,-2.5 -126,-0.1 2,-0.2 0.960 65.5 8.8 -55.4 -70.6 7.4 1.1 13.2 207 208 A K E -JK 60 80C 71 -147,-2.3 -147,-2.4 -4,-0.3 2,-0.3 -0.706 51.7-154.4-127.4 164.0 7.4 2.1 9.5 208 209 A R E -JK 59 79C 8 -129,-2.0 -129,-1.3 -2,-0.2 2,-0.6 -0.807 32.5-100.1-128.1 168.7 5.9 1.7 6.1 209 210 A V E > - 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0 0 13 0, 0.0 3,-2.4 0, 0.0 4,-0.1 -0.437 46.5-112.8 -65.5 140.4 5.6 -20.9 0.4 265 266 A P G > S+ 0 0 1 0, 0.0 3,-1.7 0, 0.0 4,-0.4 0.683 110.2 68.4 -47.5 -31.4 6.1 -24.6 1.4 266 267 A N G 3 S+ 0 0 40 1,-0.3 3,-0.1 2,-0.1 124,-0.1 0.603 101.5 48.8 -71.4 -9.1 2.4 -25.5 1.3 267 268 A L G X S+ 0 0 8 -3,-2.4 3,-1.5 1,-0.1 -1,-0.3 0.206 76.7 101.6-112.5 9.6 2.5 -25.1 -2.4 268 269 A Y G X S+ 0 0 3 -3,-1.7 3,-1.7 1,-0.3 -2,-0.1 0.942 80.7 55.7 -57.6 -44.0 5.6 -27.2 -3.2 269 270 A S G 3 S+ 0 0 102 -4,-0.4 -1,-0.3 1,-0.3 -2,-0.1 0.305 81.6 86.5 -80.4 13.0 3.4 -30.1 -4.3 270 271 A R G < S+ 0 0 78 -3,-1.5 2,-0.4 2,-0.0 -1,-0.3 0.657 87.4 64.4 -73.2 -17.9 1.6 -27.9 -6.9 271 272 A I S < S- 0 0 11 -3,-1.7 2,-0.4 -4,-0.2 -35,-0.3 -0.871 85.1-130.2-109.7 135.1 4.5 -28.9 -9.2 272 273 A S E -e 236 0A 79 -37,-2.7 -35,-2.7 -2,-0.4 2,-0.5 -0.735 22.0-149.9 -82.3 136.2 5.2 -32.4 -10.4 273 274 A Y E -e 237 0A 27 -2,-0.4 -35,-0.2 -37,-0.2 4,-0.1 -0.946 10.9-130.4-111.5 128.6 8.9 -33.3 -9.9 274 275 A D E S+e 238 0A 94 -37,-2.7 -35,-2.3 -2,-0.5 -2,-0.0 -0.945 102.7 23.2-121.7 107.0 10.5 -35.8 -12.4 275 276 A P S S- 0 0 57 0, 0.0 -1,-0.1 0, 0.0 -38,-0.0 0.569 115.6-104.2 -78.6 171.7 11.8 -37.8 -10.7 276 277 A P - 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