==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=4-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 02-APR-01 1ICS . COMPND 2 MOLECULE: 12-OXOPHYTODIENOATE REDUCTASE 1; . SOURCE 2 ORGANISM_SCIENTIFIC: SOLANUM LYCOPERSICUM; . AUTHOR C.BREITHAUPT,J.STRASSNER,U.BREITINGER,R.HUBER,P.MACHEROUX, . 706 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 28997.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 446 63.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 84 11.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 14 2.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.3 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 . 38 5.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 92 13.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 178 25.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 9 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 1 2 4 2 1 3 0 0 1 1 1 0 2 1 1 1 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 5 6 5 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 PARALLEL BRIDGES PER LADDER . 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 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 6 0 0 0 0 0 0 0 0 2 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 10 A Q 0 0 165 0, 0.0 2,-0.4 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-116.3 29.1 20.3 5.7 2 11 A V - 0 0 75 0, 0.0 2,-0.2 0, 0.0 325,-0.0 -0.978 360.0-113.5-130.8 139.5 27.4 18.0 3.2 3 12 A D - 0 0 148 -2,-0.4 0, 0.0 1,-0.1 0, 0.0 -0.480 39.1-112.2 -70.6 131.3 26.5 18.4 -0.5 4 13 A K - 0 0 205 -2,-0.2 -1,-0.1 1,-0.0 3,-0.0 -0.256 35.2-159.4 -60.6 149.0 22.7 18.5 -1.2 5 14 A I > - 0 0 25 1,-0.1 3,-1.6 321,-0.0 4,-0.4 -0.914 30.4-106.4-132.1 158.4 21.3 15.5 -3.1 6 15 A P G > S+ 0 0 35 0, 0.0 3,-2.0 0, 0.0 15,-0.1 0.872 115.7 59.2 -47.6 -47.6 18.1 14.9 -5.1 7 16 A L G 3 S+ 0 0 0 1,-0.3 14,-2.9 287,-0.2 15,-0.5 0.741 104.6 51.3 -58.4 -24.3 16.5 12.7 -2.4 8 17 A M G < S+ 0 0 35 -3,-1.6 -1,-0.3 12,-0.2 -4,-0.0 0.468 84.3 118.9 -93.4 -0.6 16.6 15.6 0.1 9 18 A S < - 0 0 45 -3,-2.0 9,-0.0 -4,-0.4 0, 0.0 -0.386 67.8-111.5 -68.5 139.1 14.9 18.1 -2.3 10 19 A P - 0 0 79 0, 0.0 2,-0.3 0, 0.0 9,-0.2 -0.110 36.1-166.2 -64.2 166.5 11.6 19.7 -1.3 11 20 A C E -A 18 0A 8 7,-2.5 7,-3.0 9,-0.1 2,-0.8 -0.963 24.1-139.5-163.0 140.3 8.3 18.8 -3.0 12 21 A K E +A 17 0A 125 -2,-0.3 2,-0.5 5,-0.2 5,-0.2 -0.869 29.5 174.5-103.7 107.2 4.7 19.9 -3.4 13 22 A M E > -A 16 0A 0 3,-2.2 3,-3.0 -2,-0.8 250,-0.1 -0.952 58.9 -47.1-116.5 123.4 2.4 16.9 -3.5 14 23 A G T 3 S- 0 0 44 -2,-0.5 212,-0.1 248,-0.3 211,-0.1 -0.383 124.2 -24.1 55.0-132.6 -1.3 17.4 -3.5 15 24 A K T 3 S+ 0 0 113 210,-0.9 2,-0.4 -3,-0.1 -1,-0.3 0.173 121.3 99.2 -93.9 18.1 -2.0 20.0 -0.8 16 25 A F E < -A 13 0A 16 -3,-3.0 -3,-2.2 209,-0.1 2,-0.8 -0.844 62.9-144.6-115.8 145.8 1.2 19.2 1.1 17 26 A E E -A 12 0A 124 -2,-0.4 -5,-0.2 -5,-0.2 2,-0.1 -0.813 24.7-163.6-103.3 92.6 4.7 20.7 1.3 18 27 A L E -A 11 0A 4 -7,-3.0 -7,-2.5 -2,-0.8 35,-0.2 -0.462 15.7-153.3 -77.7 148.1 7.2 17.9 1.6 19 28 A C S S+ 0 0 62 33,-2.4 2,-0.3 -9,-0.2 34,-0.2 0.575 76.6 3.8 -94.6 -12.4 10.7 18.6 2.8 20 29 A H - 0 0 13 32,-0.9 34,-0.3 -9,-0.1 -12,-0.2 -0.956 66.7-117.9-160.4 173.8 12.3 15.6 1.1 21 30 A R S S+ 0 0 48 -14,-2.9 288,-2.4 -2,-0.3 2,-0.8 0.297 70.2 112.4-108.3 10.2 11.5 12.7 -1.2 22 31 A V E -b 309 0B 2 -15,-0.5 32,-0.4 286,-0.2 2,-0.4 -0.757 51.0-167.0 -85.7 114.2 12.3 9.7 0.9 23 32 A V E -b 310 0B 1 286,-2.8 288,-3.2 -2,-0.8 2,-0.7 -0.838 23.2-124.5-105.6 140.3 8.9 8.0 1.5 24 33 A L E -bc 311 55B 3 30,-2.0 32,-1.6 -2,-0.4 288,-0.2 -0.725 33.9-136.1 -81.4 114.6 8.1 5.3 4.0 25 34 A A - 0 0 5 286,-2.5 2,-0.2 -2,-0.7 33,-0.1 -0.336 30.3 -87.8 -69.7 155.5 6.5 2.5 2.0 26 35 A P - 0 0 15 0, 0.0 2,-0.5 0, 0.0 32,-0.2 -0.471 52.4-170.6 -62.7 121.8 3.4 0.7 3.3 27 36 A L - 0 0 34 29,-0.4 2,-0.5 -2,-0.2 31,-0.3 -0.919 20.1-150.2-129.9 113.7 4.6 -2.1 5.5 28 37 A T + 0 0 37 -2,-0.5 44,-0.1 1,-0.2 32,-0.0 -0.654 24.1 167.1 -74.7 119.2 2.5 -4.9 6.9 29 38 A R - 0 0 2 -2,-0.5 -1,-0.2 42,-0.1 43,-0.1 0.408 36.3-136.8-115.2 -1.3 4.1 -5.9 10.2 30 39 A Q + 0 0 35 1,-0.1 42,-0.2 2,-0.1 -2,-0.1 0.828 67.2 120.2 46.7 43.6 1.4 -8.1 11.8 31 40 A R + 0 0 1 40,-0.1 2,-0.9 1,-0.1 41,-0.2 0.157 37.2 104.2-118.1 20.6 1.8 -6.6 15.2 32 41 A S > - 0 0 3 39,-3.2 3,-1.9 38,-0.1 4,-0.2 -0.705 64.8-150.3-105.0 79.5 -1.8 -5.3 15.6 33 42 A Y G > S+ 0 0 72 -2,-0.9 3,-1.2 1,-0.3 -2,-0.1 -0.206 78.1 7.5 -52.7 129.9 -3.3 -7.8 18.0 34 43 A G G 3 S- 0 0 54 1,-0.2 -1,-0.3 39,-0.1 36,-0.0 0.648 125.8 -74.4 70.5 16.2 -7.1 -8.3 17.5 35 44 A Y G < S+ 0 0 61 -3,-1.9 39,-2.1 1,-0.3 -1,-0.2 0.670 106.1 123.5 68.3 20.5 -6.9 -6.1 14.3 36 45 A I < - 0 0 37 -3,-1.2 -1,-0.3 -4,-0.2 44,-0.1 -0.936 69.3-111.9-114.5 129.6 -6.6 -3.1 16.6 37 46 A P - 0 0 6 0, 0.0 -5,-0.1 0, 0.0 47,-0.1 -0.195 40.3-143.1 -55.0 154.8 -3.6 -0.7 16.3 38 47 A Q >> - 0 0 46 1,-0.1 3,-1.0 46,-0.1 4,-0.7 -0.789 21.9-108.7-125.5 165.2 -1.3 -0.9 19.3 39 48 A P H >> S+ 0 0 88 0, 0.0 3,-1.3 0, 0.0 4,-0.9 0.866 112.9 62.4 -56.5 -40.3 0.9 1.3 21.5 40 49 A H H 3> S+ 0 0 29 1,-0.3 4,-2.1 2,-0.2 3,-0.4 0.823 94.6 61.3 -59.7 -28.8 4.1 -0.0 20.1 41 50 A A H <> S+ 0 0 1 -3,-1.0 4,-2.6 1,-0.2 5,-0.4 0.820 94.1 65.2 -65.8 -28.7 3.2 1.3 16.6 42 51 A I H < S+ 0 0 26 -4,-1.0 3,-1.4 -5,-0.4 -1,-0.2 0.905 100.7 54.6 -75.1 -40.6 7.4 8.1 15.6 47 56 A Q H 3< S+ 0 0 27 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.804 113.7 45.2 -61.0 -25.0 11.0 6.8 15.2 48 57 A R T 3< S+ 0 0 1 -4,-0.9 2,-0.3 -5,-0.2 -1,-0.3 0.350 88.1 107.6-102.8 7.7 10.5 7.2 11.5 49 58 A S < + 0 0 7 -3,-1.4 2,-0.3 -4,-0.2 5,-0.1 -0.668 38.8 172.9 -89.4 139.2 8.8 10.7 11.3 50 59 A T > - 0 0 46 -2,-0.3 3,-2.0 3,-0.2 2,-0.2 -0.937 45.4 -79.7-137.5 159.8 10.6 13.7 10.0 51 60 A N T 3 S- 0 0 115 -2,-0.3 45,-0.2 1,-0.3 -32,-0.2 -0.415 116.0 -3.6 -63.7 126.6 9.4 17.2 9.3 52 61 A G T 3 S+ 0 0 5 43,-2.8 -33,-2.4 1,-0.2 -32,-0.9 0.708 100.7 136.9 64.2 19.5 7.6 17.3 5.9 53 62 A G < - 0 0 0 -3,-2.0 44,-2.4 -35,-0.2 2,-0.4 -0.811 52.5-126.1 -98.2 138.5 8.5 13.7 5.4 54 63 A L E - d 0 97B 3 -2,-0.4 -30,-2.0 -32,-0.4 2,-0.4 -0.697 23.9-171.1 -90.5 135.9 5.8 11.4 3.9 55 64 A L E -cd 24 98B 2 42,-3.1 44,-2.9 -2,-0.4 2,-0.6 -0.984 9.9-163.3-125.5 129.9 4.7 8.2 5.7 56 65 A I E - d 0 99B 1 -32,-1.6 -29,-0.4 -2,-0.4 44,-0.2 -0.957 24.4-137.3-111.5 117.0 2.4 5.6 4.3 57 66 A G - 0 0 0 42,-2.7 44,-0.2 -2,-0.6 3,-0.1 -0.154 32.0 -76.4 -69.7 166.3 1.1 3.3 7.0 58 67 A E - 0 0 2 -31,-0.3 43,-0.5 -32,-0.2 -1,-0.1 -0.174 68.8 -73.5 -57.4 153.5 0.8 -0.4 6.8 59 68 A A - 0 0 2 -3,-0.1 2,-0.5 41,-0.1 43,-0.2 -0.256 54.1-154.0 -51.4 122.5 -2.1 -1.8 4.9 60 69 A T E -e 102 0B 0 41,-4.0 43,-3.0 -3,-0.1 14,-0.3 -0.913 14.2-121.0-110.5 124.9 -5.3 -1.2 7.0 61 70 A V E -ef 103 74B 0 12,-3.0 14,-2.0 -2,-0.5 43,-0.2 -0.352 15.2-160.0 -65.1 134.2 -8.3 -3.5 6.6 62 71 A I + 0 0 6 41,-2.5 2,-0.3 12,-0.2 -1,-0.1 0.731 67.7 1.8 -88.3 -24.0 -11.6 -1.9 5.6 63 72 A S S > S- 0 0 9 40,-0.4 3,-1.7 1,-0.1 -1,-0.1 -0.966 77.2 -94.9-155.1 171.3 -14.1 -4.5 6.7 64 73 A E G > S+ 0 0 108 -2,-0.3 3,-0.9 1,-0.3 -1,-0.1 0.806 121.7 56.5 -60.0 -32.2 -14.4 -7.9 8.3 65 74 A T G 3 S+ 0 0 25 1,-0.2 56,-0.4 49,-0.1 -1,-0.3 0.569 94.7 69.5 -78.5 -7.1 -14.4 -9.6 4.9 66 75 A G G < S+ 0 0 0 -3,-1.7 39,-0.7 38,-0.1 2,-0.5 0.232 72.0 113.5 -95.5 16.2 -11.1 -8.0 4.1 67 76 A I < + 0 0 7 -3,-0.9 43,-0.4 46,-0.2 46,-0.1 -0.742 18.5 146.3 -93.0 129.0 -9.0 -10.0 6.6 68 77 A G + 0 0 8 -2,-0.5 2,-0.3 1,-0.2 -1,-0.1 0.355 63.3 44.6-138.1 2.5 -6.4 -12.5 5.3 69 78 A Y S > S- 0 0 58 44,-0.1 3,-0.7 3,-0.1 -1,-0.2 -0.982 82.4-102.2-147.3 154.1 -3.7 -12.3 7.9 70 79 A K T 3 S+ 0 0 140 -2,-0.3 -38,-0.1 1,-0.2 -37,-0.1 -0.440 95.3 8.7 -78.0 150.6 -3.4 -12.3 11.7 71 80 A D T 3 S+ 0 0 43 1,-0.2 -39,-3.2 -2,-0.1 -1,-0.2 0.700 82.5 140.0 54.0 31.7 -2.7 -9.1 13.6 72 81 A V < - 0 0 0 -3,-0.7 -1,-0.2 -42,-0.2 -12,-0.1 -0.790 56.1-107.1 -97.2 144.3 -3.1 -6.6 10.7 73 82 A P - 0 0 1 0, 0.0 -12,-3.0 0, 0.0 2,-0.2 -0.392 30.5-158.8 -76.9 153.2 -4.9 -3.4 11.7 74 83 A G B -f 61 0B 0 -39,-2.1 -12,-0.2 -14,-0.3 -10,-0.0 -0.692 13.7-161.5-117.7 172.6 -8.4 -2.5 10.7 75 84 A I + 0 0 0 -14,-2.0 91,-0.1 -2,-0.2 92,-0.1 -0.060 65.1 93.7-148.6 40.5 -10.3 0.8 10.5 76 85 A W S S+ 0 0 69 -15,-0.1 2,-0.3 90,-0.1 -14,-0.1 0.435 76.3 64.6-111.4 -2.7 -14.0 -0.1 10.4 77 86 A T S >> S- 0 0 44 1,-0.1 4,-2.6 -14,-0.0 3,-0.6 -0.918 79.4-124.7-124.2 151.3 -14.7 0.2 14.2 78 87 A K H 3> S+ 0 0 173 -2,-0.3 4,-2.4 1,-0.3 5,-0.2 0.860 114.1 59.1 -56.4 -37.3 -14.7 3.1 16.6 79 88 A E H 3> S+ 0 0 129 1,-0.2 4,-1.3 2,-0.2 -1,-0.3 0.888 108.9 43.8 -60.1 -39.5 -12.3 1.0 18.8 80 89 A Q H <> S+ 0 0 5 -3,-0.6 4,-1.7 2,-0.2 -2,-0.2 0.915 110.3 54.7 -73.3 -42.0 -9.9 0.9 15.8 81 90 A V H X S+ 0 0 2 -4,-2.6 4,-1.2 1,-0.2 -2,-0.2 0.877 109.8 47.3 -60.0 -37.0 -10.3 4.6 15.0 82 91 A E H < S+ 0 0 99 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.829 107.5 56.5 -74.0 -30.2 -9.4 5.6 18.6 83 92 A A H < S+ 0 0 23 -4,-1.3 4,-0.4 -5,-0.2 -2,-0.2 0.830 105.9 51.4 -70.8 -29.3 -6.4 3.2 18.6 84 93 A W H >X S+ 0 0 1 -4,-1.7 4,-2.9 1,-0.2 3,-1.0 0.846 92.8 76.4 -73.3 -36.8 -4.9 5.0 15.4 85 94 A K H 3X S+ 0 0 61 -4,-1.2 4,-3.1 1,-0.3 5,-0.2 0.851 93.1 47.0 -43.8 -54.1 -5.2 8.5 16.9 86 95 A P H 3> S+ 0 0 59 0, 0.0 4,-1.3 0, 0.0 -1,-0.3 0.814 114.5 50.3 -63.0 -27.5 -2.2 8.4 19.3 87 96 A I H <> S+ 0 0 1 -3,-1.0 4,-1.7 -4,-0.4 -2,-0.2 0.950 111.5 46.6 -73.8 -48.1 -0.2 6.9 16.4 88 97 A V H X S+ 0 0 0 -4,-2.9 4,-2.5 1,-0.2 3,-0.3 0.940 111.7 51.9 -57.7 -47.2 -1.2 9.6 14.0 89 98 A D H X S+ 0 0 95 -4,-3.1 4,-2.0 1,-0.2 -1,-0.2 0.837 105.9 54.5 -60.1 -34.2 -0.5 12.3 16.6 90 99 A A H X S+ 0 0 18 -4,-1.3 4,-0.5 -5,-0.2 -1,-0.2 0.875 109.6 46.8 -69.6 -35.2 3.0 11.0 17.2 91 100 A V H ><>S+ 0 0 0 -4,-1.7 5,-2.1 -3,-0.3 3,-1.3 0.945 114.0 47.8 -69.1 -45.9 3.8 11.3 13.5 92 101 A H H ><5S+ 0 0 62 -4,-2.5 3,-1.8 1,-0.3 -2,-0.2 0.821 99.2 69.3 -62.1 -32.8 2.3 14.7 13.4 93 102 A A H 3<5S+ 0 0 84 -4,-2.0 -1,-0.3 1,-0.3 -2,-0.2 0.739 105.2 41.0 -59.6 -24.5 4.3 15.7 16.5 94 103 A K T <<5S- 0 0 99 -3,-1.3 -1,-0.3 -4,-0.5 -2,-0.2 0.351 124.7-103.8-103.8 3.5 7.5 15.5 14.4 95 104 A G T < 5 + 0 0 24 -3,-1.8 -43,-2.8 1,-0.2 -3,-0.2 0.644 68.7 148.1 87.6 15.6 5.8 17.2 11.4 96 105 A G < - 0 0 2 -5,-2.1 2,-0.5 -45,-0.2 -1,-0.2 -0.379 46.5-127.8 -81.8 162.9 5.3 14.2 9.2 97 106 A I E -d 54 0B 28 -44,-2.4 -42,-3.1 -47,-0.2 2,-0.5 -0.965 28.2-158.3-110.7 127.2 2.5 13.7 6.7 98 107 A F E -d 55 0B 0 -2,-0.5 75,-1.8 -44,-0.2 76,-1.1 -0.925 12.0-171.7-117.2 122.0 0.7 10.4 7.2 99 108 A F E -dg 56 174B 0 -44,-2.9 -42,-2.7 -2,-0.5 2,-0.6 -0.920 18.9-138.2-110.4 136.3 -1.5 8.5 4.7 100 109 A C E - g 0 175B 0 74,-2.8 76,-2.3 -2,-0.4 2,-0.8 -0.814 14.4-140.0 -91.9 124.4 -3.5 5.5 5.8 101 110 A Q E - g 0 176B 3 -2,-0.6 -41,-4.0 -43,-0.5 2,-0.4 -0.750 17.7-151.6 -87.1 115.2 -3.4 2.7 3.2 102 111 A I E -eg 60 177B 0 74,-2.2 76,-2.3 -2,-0.8 2,-0.3 -0.704 21.1-176.9 -91.2 137.0 -6.9 1.1 3.0 103 112 A W E -e 61 0B 1 -43,-3.0 -41,-2.5 -2,-0.4 -40,-0.4 -0.948 31.0-178.8-143.5 151.3 -7.1 -2.5 2.0 104 113 A H - 0 0 2 -2,-0.3 80,-1.5 74,-0.3 81,-0.4 -0.963 16.8-155.3-144.4 124.0 -9.3 -5.6 1.2 105 114 A V > - 0 0 0 -39,-0.7 3,-2.5 -2,-0.3 -39,-0.1 0.615 21.9-172.5 -76.9 -15.0 -7.6 -8.9 0.4 106 115 A G T 3 S- 0 0 0 1,-0.3 15,-0.3 77,-0.2 -1,-0.2 -0.349 73.6 -1.2 56.7-128.7 -10.5 -10.3 -1.6 107 116 A R T 3 S+ 0 0 9 1,-0.2 2,-2.9 13,-0.2 21,-0.3 0.626 109.8 95.4 -68.2 -14.5 -9.7 -13.9 -2.4 108 117 A V S < S+ 0 0 0 -3,-2.5 2,-0.3 74,-0.2 -1,-0.2 -0.432 79.1 73.5 -77.9 74.0 -6.3 -13.8 -0.6 109 118 A S S S- 0 0 1 -2,-2.9 34,-1.5 34,-0.3 2,-0.3 -0.921 71.4-121.4-163.6-174.5 -8.0 -15.2 2.5 110 119 A N >> - 0 0 26 -43,-0.4 3,-2.2 -2,-0.3 4,-0.9 -0.967 31.2-112.8-142.0 152.3 -9.5 -18.2 4.3 111 120 A K T 34 S+ 0 0 97 -2,-0.3 3,-0.4 1,-0.3 6,-0.4 0.795 112.7 69.7 -60.5 -25.0 -12.9 -18.9 5.7 112 121 A D T 34 S+ 0 0 134 1,-0.2 -1,-0.3 5,-0.1 4,-0.1 0.623 102.6 44.1 -66.2 -13.9 -11.3 -19.0 9.2 113 122 A F T <4 S+ 0 0 56 -3,-2.2 -1,-0.2 5,-0.2 -2,-0.2 0.590 100.9 90.9-100.1 -19.3 -10.7 -15.2 8.9 114 123 A Q S >< S- 0 0 10 -4,-0.9 3,-1.8 -3,-0.4 2,-0.2 -0.474 90.5 -96.9 -81.7 147.9 -14.2 -14.6 7.5 115 124 A P G > S- 0 0 25 0, 0.0 3,-1.4 0, 0.0 -1,-0.1 -0.446 108.1 -1.1 -64.8 128.0 -17.3 -13.7 9.6 116 125 A N G 3 S- 0 0 148 1,-0.3 3,-0.1 -2,-0.2 -4,-0.1 0.680 124.2 -71.8 65.5 20.6 -19.3 -16.9 10.2 117 126 A G G < S+ 0 0 36 -3,-1.8 -1,-0.3 -6,-0.4 -5,-0.1 0.742 86.7 165.1 68.3 20.1 -16.9 -19.0 8.2 118 127 A E < - 0 0 92 -3,-1.4 -4,-0.3 -7,-0.2 -1,-0.2 -0.212 42.4 -97.4 -65.3 160.8 -18.2 -17.3 5.0 119 128 A D - 0 0 77 1,-0.1 -1,-0.1 -3,-0.1 27,-0.1 -0.496 41.7-103.1 -79.6 150.0 -16.3 -17.6 1.8 120 129 A P - 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0 0 0 -4,-2.6 4,-2.9 -5,-0.2 3,-1.5 -0.562 66.2-153.0 -74.2 123.1 40.1 84.5 47.3 546 200 B D T 34 S+ 0 0 32 -2,-0.4 51,-0.2 1,-0.3 -1,-0.1 0.582 93.5 65.7 -72.5 -8.8 41.1 88.0 48.1 547 201 B Q T 34 S+ 0 0 111 49,-1.7 -1,-0.3 1,-0.1 50,-0.1 0.560 117.9 26.6 -85.2 -5.3 39.0 88.1 51.2 548 202 B V T <4 S+ 0 0 0 -3,-1.5 2,-1.0 48,-0.2 -2,-0.2 0.745 105.8 74.4-117.9 -46.8 41.3 85.5 52.6 549 203 B N < + 0 0 8 -4,-2.9 8,-0.4 -7,-0.2 -1,-0.2 -0.632 41.6 154.4 -79.4 101.9 44.7 85.8 51.0 550 204 B D + 0 0 68 -2,-1.0 -1,-0.1 -72,-0.1 6,-0.1 -0.079 27.3 143.2-114.7 29.1 46.4 88.8 52.5 551 205 B R - 0 0 13 4,-0.2 -72,-0.1 -8,-0.1 11,-0.0 -0.304 40.4-159.1 -68.8 155.0 49.9 87.5 51.7 552 206 B S + 0 0 128 4,-0.1 2,-0.1 5,-0.1 -1,-0.1 0.088 66.8 78.7-122.8 20.7 52.7 89.9 50.7 553 207 B D S > S- 0 0 38 8,-0.0 3,-1.1 -48,-0.0 8,-0.0 -0.245 108.8 -67.1-107.6-159.2 55.0 87.4 49.0 554 208 B K T 3 S+ 0 0 107 1,-0.3 10,-0.2 -2,-0.1 4,-0.0 0.529 127.0 65.3 -73.1 -4.7 54.7 85.9 45.5 555 209 B Y T 3 S+ 0 0 1 9,-0.1 2,-0.3 7,-0.1 -1,-0.3 0.094 109.1 24.0-103.6 22.0 51.6 84.0 46.5 556 210 B G S < S+ 0 0 3 -3,-1.1 -6,-0.1 -6,-0.1 5,-0.1 -0.969 77.1 72.3-166.1 179.0 49.4 87.0 47.0 557 211 B G S S+ 0 0 70 -8,-0.4 2,-0.3 -2,-0.3 3,-0.1 0.376 97.9 46.9 85.6 -5.0 48.7 90.7 46.3 558 212 B S S > S- 0 0 39 1,-0.1 4,-3.2 -4,-0.0 5,-0.2 -0.979 87.5-107.3-162.1 157.7 47.5 90.2 42.7 559 213 B L H > S+ 0 0 51 -2,-0.3 4,-1.0 1,-0.2 -1,-0.1 0.931 121.4 49.3 -55.3 -47.8 45.2 88.0 40.7 560 214 B E H > S+ 0 0 116 1,-0.2 4,-0.6 2,-0.2 3,-0.5 0.911 114.0 44.5 -59.0 -45.1 48.2 86.2 39.2 561 215 B N H >> S+ 0 0 33 1,-0.2 3,-0.9 2,-0.2 4,-0.5 0.891 109.0 56.2 -68.1 -39.2 49.8 85.7 42.6 562 216 B R H 3< S+ 0 0 30 -4,-3.2 4,-0.3 1,-0.2 -1,-0.2 0.691 111.4 45.1 -66.9 -16.5 46.6 84.5 44.3 563 217 B C H 3X S+ 0 0 0 -4,-1.0 4,-2.3 -3,-0.5 -1,-0.2 0.527 86.9 91.5-103.3 -8.3 46.3 81.8 41.6 564 218 B R H S+ 0 0 2 -4,-0.3 4,-2.2 1,-0.2 3,-0.4 0.930 114.7 46.1 -61.4 -46.2 46.4 76.4 42.4 567 221 B L H X S+ 0 0 18 -4,-2.3 4,-2.7 1,-0.2 -1,-0.2 0.871 107.7 56.9 -66.7 -34.6 48.3 76.4 39.1 568 222 B E H X S+ 0 0 51 -4,-2.9 4,-1.7 -5,-0.2 -1,-0.2 0.819 110.0 46.9 -64.4 -27.7 51.4 75.0 40.9 569 223 B I H X S+ 0 0 0 -4,-1.4 4,-2.8 -3,-0.4 5,-0.3 0.874 110.5 50.2 -79.4 -40.4 49.1 72.1 41.9 570 224 B V H X S+ 0 0 0 -4,-2.2 4,-3.2 2,-0.2 5,-0.3 0.946 113.5 47.0 -61.4 -47.0 47.6 71.5 38.5 571 225 B E H X S+ 0 0 93 -4,-2.7 4,-2.6 1,-0.2 5,-0.3 0.940 114.9 45.3 -59.3 -51.0 51.1 71.5 37.0 572 226 B A H X S+ 0 0 20 -4,-1.7 4,-1.3 -5,-0.2 -1,-0.2 0.866 117.7 43.4 -63.5 -38.6 52.4 69.1 39.6 573 227 B V H X S+ 0 0 0 -4,-2.8 4,-2.4 2,-0.2 5,-0.3 0.902 115.5 48.1 -74.7 -41.7 49.4 66.8 39.4 574 228 B A H X S+ 0 0 10 -4,-3.2 4,-2.7 -5,-0.3 -2,-0.2 0.905 112.9 47.6 -64.8 -42.8 49.3 66.8 35.6 575 229 B N H < S+ 0 0 127 -4,-2.6 -1,-0.2 -5,-0.3 -2,-0.2 0.854 113.2 51.8 -66.3 -33.6 53.0 66.1 35.3 576 230 B E H < S+ 0 0 46 -4,-1.3 -2,-0.2 -5,-0.3 -1,-0.2 0.901 133.2 4.6 -71.3 -44.2 52.6 63.3 37.8 577 231 B I H < S- 0 0 9 -4,-2.4 -2,-0.2 -5,-0.1 -3,-0.2 0.386 114.0 -87.2-125.2 4.1 49.7 61.4 36.2 578 232 B G >< - 0 0 27 -4,-2.7 3,-2.1 -5,-0.3 -3,-0.2 0.424 28.6-106.7 94.5 127.8 49.1 63.2 32.9 579 233 B S G > S+ 0 0 32 1,-0.3 3,-1.7 -5,-0.2 38,-0.7 0.776 114.5 68.2 -56.9 -29.3 46.8 66.1 32.1 580 234 B D G 3 S+ 0 0 61 1,-0.3 -210,-0.7 36,-0.2 -1,-0.3 0.425 101.8 47.8 -73.6 3.8 44.2 63.9 30.5 581 235 B R G < S+ 0 0 52 -3,-2.1 -51,-2.2 -212,-0.1 2,-0.4 0.086 97.5 92.6-126.0 18.7 43.5 62.3 33.9 582 236 B V E < +u 530 0F 0 -3,-1.7 35,-2.8 -53,-0.2 36,-1.0 -0.960 41.4 167.8-124.9 128.4 43.2 65.6 35.7 583 237 B G E -u 531 0F 0 -53,-2.7 -51,-1.8 -2,-0.4 2,-0.3 -0.744 15.9-154.9-122.1 171.8 40.1 67.8 36.5 584 238 B I E -u 532 0F 0 34,-0.5 36,-3.0 -53,-0.3 2,-0.4 -0.976 4.3-147.3-150.4 140.3 39.8 70.7 38.8 585 239 B R E +uv 533 620F 18 -53,-2.9 -51,-1.6 -2,-0.3 2,-0.3 -0.925 20.0 174.8-114.0 135.4 36.8 72.2 40.6 586 240 B I E -uv 534 621F 3 34,-2.6 36,-2.2 -2,-0.4 -51,-0.2 -0.957 23.6-167.1-137.8 156.2 36.4 75.8 41.4 587 241 B S > + 0 0 1 -53,-0.6 3,-1.1 -2,-0.3 -50,-0.1 -0.577 15.8 167.6-141.6 72.6 33.7 78.1 42.9 588 242 B P T 3 S+ 0 0 5 0, 0.0 9,-0.3 0, 0.0 15,-0.1 0.772 81.0 46.2 -59.7 -28.9 34.7 81.8 42.2 589 243 B F T 3 S+ 0 0 5 33,-0.4 36,-0.2 7,-0.1 2,-0.1 0.563 91.2 105.1 -93.0 -7.6 31.3 83.1 43.2 590 244 B A < - 0 0 17 -3,-1.1 -53,-0.1 1,-0.1 7,-0.1 -0.397 46.2-171.6 -75.1 149.9 31.0 81.1 46.4 591 245 B H >> + 0 0 115 5,-0.1 3,-1.3 -2,-0.1 4,-0.7 0.246 33.8 143.6-121.6 6.3 31.4 82.6 49.9 592 246 B Y G >4 S+ 0 0 147 1,-0.3 3,-0.9 2,-0.2 -2,-0.0 -0.166 73.7 13.6 -48.0 142.0 31.4 79.5 51.9 593 247 B N G 34 S- 0 0 17 1,-0.2 -1,-0.3 2,-0.1 3,-0.0 0.787 131.3 -69.1 57.8 33.1 33.8 79.6 54.8 594 248 B E G <4 S+ 0 0 86 -3,-1.3 -1,-0.2 1,-0.1 2,-0.2 0.877 98.7 136.1 55.2 42.7 34.3 83.4 54.5 595 249 B A << + 0 0 0 -3,-0.9 -58,-0.2 -4,-0.7 -3,-0.2 -0.488 22.6 138.0-117.7 59.4 36.1 82.9 51.2 596 250 B G - 0 0 5 -5,-0.3 -49,-1.7 -2,-0.2 2,-0.3 -0.502 39.4-140.9 -98.1 172.9 34.7 85.5 48.8 597 251 B D - 0 0 10 -9,-0.3 -52,-0.1 -51,-0.2 -2,-0.0 -0.978 15.9-133.7-133.7 146.3 36.4 87.7 46.3 598 252 B T S S+ 0 0 105 -2,-0.3 -1,-0.1 1,-0.3 -53,-0.0 0.754 106.9 33.2 -70.9 -22.9 35.9 91.4 45.4 599 253 B N > + 0 0 86 1,-0.1 4,-2.3 2,-0.1 -1,-0.3 -0.578 69.1 163.3-134.2 76.0 36.1 90.5 41.7 600 254 B P H > S+ 0 0 16 0, 0.0 4,-2.9 0, 0.0 5,-0.2 0.886 74.9 50.3 -56.2 -51.8 34.6 86.9 41.1 601 255 B T H > S+ 0 0 71 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.884 113.1 48.0 -60.8 -38.3 34.0 87.0 37.4 602 256 B A H > S+ 0 0 28 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.922 111.2 50.6 -67.7 -44.4 37.6 88.3 36.8 603 257 B L H X S+ 0 0 3 -4,-2.3 4,-1.9 1,-0.2 -2,-0.2 0.932 113.5 45.8 -57.9 -46.0 39.0 85.6 39.1 604 258 B G H X S+ 0 0 0 -4,-2.9 4,-2.1 2,-0.2 -1,-0.2 0.839 111.7 50.4 -67.0 -36.4 37.0 82.9 37.2 605 259 B L H X S+ 0 0 61 -4,-2.2 4,-2.6 -5,-0.2 5,-0.3 0.954 110.0 50.3 -66.9 -48.5 38.0 84.2 33.8 606 260 B Y H X S+ 0 0 59 -4,-2.6 4,-2.4 1,-0.2 -2,-0.2 0.893 110.9 49.7 -56.4 -43.1 41.7 84.2 34.7 607 261 B M H X S+ 0 0 1 -4,-1.9 4,-2.0 -5,-0.2 -1,-0.2 0.932 111.7 46.2 -65.5 -46.2 41.6 80.7 36.0 608 262 B V H X S+ 0 0 0 -4,-2.1 4,-0.7 2,-0.2 30,-0.3 0.902 114.9 46.9 -66.0 -36.8 39.9 79.2 33.0 609 263 B E H >X S+ 0 0 102 -4,-2.6 3,-0.7 1,-0.2 4,-0.6 0.909 114.1 47.9 -68.8 -40.2 42.2 81.0 30.6 610 264 B S H 3< S+ 0 0 10 -4,-2.4 3,-0.3 -5,-0.3 -1,-0.2 0.805 107.9 57.1 -67.8 -29.5 45.2 80.0 32.6 611 265 B L H >< S+ 0 0 0 -4,-2.0 3,-1.0 1,-0.2 5,-0.5 0.629 88.5 76.9 -76.7 -16.4 43.9 76.4 32.7 612 266 B N H X< S+ 0 0 44 -3,-0.7 3,-1.9 -4,-0.7 -1,-0.2 0.939 85.9 59.1 -60.2 -48.0 43.8 76.1 28.9 613 267 B K T 3< S+ 0 0 146 -4,-0.6 -1,-0.2 -3,-0.3 -2,-0.1 0.662 100.7 58.3 -57.4 -16.6 47.5 75.6 28.5 614 268 B Y T < S- 0 0 44 -3,-1.0 -1,-0.3 -4,-0.2 -2,-0.2 0.624 92.3-144.6 -90.5 -13.5 47.4 72.5 30.7 615 269 B D < - 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