==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=21-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 14-MAY-09 3HGO . COMPND 2 MOLECULE: 12-OXOPHYTODIENOATE REDUCTASE 3; . SOURCE 2 ORGANISM_SCIENTIFIC: SOLANUM LYCOPERSICUM; . AUTHOR T.CLAUSEN,C.BREITHAUPT . 730 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 27383.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 474 64.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 84 11.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 16 2.2 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 . 2 0.3 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 . 45 6.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 78 10.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 215 29.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 10 1.4 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 3 2 0 2 0 2 2 0 0 0 1 0 4 0 1 2 2 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 3 5 4 8 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 . 0 0 4 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 1 0 1 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 7 A D 0 0 107 0, 0.0 315,-0.2 0, 0.0 316,-0.1 0.000 360.0 360.0 360.0 -60.2 3.3 -18.7 15.9 2 8 A G + 0 0 57 2,-0.2 2,-0.5 1,-0.1 311,-0.0 0.489 360.0 94.3-108.3 -8.3 3.3 -20.9 12.9 3 9 A N S S- 0 0 102 1,-0.1 4,-0.2 309,-0.1 -1,-0.1 0.051 116.4 -94.8 -72.3 31.5 -0.0 -19.9 11.3 4 10 A N > - 0 0 18 -2,-0.5 3,-1.6 1,-0.1 -2,-0.2 0.975 43.0-164.1 49.7 87.6 2.5 -17.7 9.5 5 11 A P G > S+ 0 0 25 0, 0.0 3,-1.0 0, 0.0 -1,-0.1 0.540 81.3 82.7 -72.6 -3.9 2.6 -14.4 11.4 6 12 A L G 3 S+ 0 0 0 1,-0.2 14,-3.5 13,-0.1 15,-0.4 0.652 88.0 53.1 -73.5 -14.6 4.3 -13.1 8.2 7 13 A F G < S+ 0 0 47 -3,-1.6 -1,-0.2 12,-0.2 12,-0.1 0.009 79.9 107.2-112.7 30.6 0.9 -12.6 6.7 8 14 A S S < S- 0 0 44 -3,-1.0 9,-0.0 1,-0.1 -4,-0.0 -0.847 79.4 -99.8-102.7 141.4 -0.8 -10.5 9.3 9 15 A P - 0 0 100 0, 0.0 2,-0.3 0, 0.0 9,-0.2 -0.114 38.8-165.0 -56.9 159.4 -1.3 -6.8 8.4 10 16 A Y E -A 17 0A 45 7,-2.1 7,-2.3 9,-0.1 2,-0.8 -0.965 18.0-133.1-151.6 133.8 1.1 -4.2 9.7 11 17 A K E -A 16 0A 152 -2,-0.3 2,-1.0 5,-0.2 5,-0.2 -0.766 18.7-176.7 -92.3 109.0 0.9 -0.4 9.9 12 18 A M E > -A 15 0A 0 3,-3.0 3,-1.6 -2,-0.8 2,-0.3 -0.677 64.0 -72.5-102.7 76.7 4.1 1.2 8.7 13 19 A G T 3 S- 0 0 30 -2,-1.0 214,-0.1 1,-0.3 255,-0.1 -0.582 114.3 -12.2 72.6-129.2 3.2 4.8 9.3 14 20 A K T 3 S+ 0 0 122 -2,-0.3 2,-0.6 212,-0.2 -1,-0.3 0.442 121.0 95.0 -84.2 2.5 0.6 5.9 6.7 15 21 A F E < -A 12 0A 19 -3,-1.6 -3,-3.0 211,-0.2 2,-0.9 -0.848 63.0-155.8-100.5 119.2 1.3 2.8 4.8 16 22 A N E -A 11 0A 85 -2,-0.6 2,-0.3 -5,-0.2 -5,-0.2 -0.817 15.5-165.9 -94.3 104.8 -1.0 -0.2 5.4 17 23 A L E -A 10 0A 4 -7,-2.3 -7,-2.1 -2,-0.9 35,-0.2 -0.695 17.4-154.6 -93.1 144.4 0.9 -3.4 4.4 18 24 A S S S+ 0 0 52 33,-1.2 2,-0.3 -2,-0.3 34,-0.1 0.644 76.9 14.4 -91.3 -16.9 -0.9 -6.7 4.0 19 25 A H - 0 0 11 32,-0.8 -12,-0.2 -9,-0.1 34,-0.2 -0.943 66.8-125.3-149.2 169.6 2.1 -8.9 4.8 20 26 A R + 0 0 28 -14,-3.5 303,-2.3 -2,-0.3 2,-0.6 0.318 68.0 114.1-105.2 9.0 5.6 -8.7 6.3 21 27 A V E -b 323 0B 2 -15,-0.4 32,-0.6 301,-0.1 2,-0.4 -0.713 49.3-169.6 -82.4 119.5 7.8 -10.2 3.5 22 28 A V E -bc 324 53B 1 301,-3.0 303,-2.9 -2,-0.6 2,-0.6 -0.889 24.8-126.7-116.2 143.1 10.0 -7.3 2.2 23 29 A L E -bc 325 54B 1 30,-1.8 32,-0.9 -2,-0.4 303,-0.2 -0.763 31.4-138.8 -84.7 118.7 12.2 -7.0 -0.8 24 30 A A - 0 0 3 301,-1.7 2,-0.2 -2,-0.6 31,-0.1 -0.420 30.2 -91.4 -76.0 152.0 15.7 -5.9 0.5 25 31 A P - 0 0 14 0, 0.0 2,-0.4 0, 0.0 32,-0.2 -0.465 52.7-178.6 -65.4 130.8 17.6 -3.3 -1.5 26 32 A M - 0 0 27 29,-0.3 2,-0.3 -2,-0.2 31,-0.2 -0.943 27.2-135.9-141.3 121.0 19.8 -5.0 -4.1 27 33 A T + 0 0 25 -2,-0.4 44,-0.1 1,-0.2 32,-0.0 -0.519 30.9 163.7 -68.5 126.0 22.3 -3.7 -6.6 28 34 A R - 0 0 1 -2,-0.3 -1,-0.2 42,-0.1 43,-0.1 0.489 39.2-135.6-122.1 -13.3 21.7 -5.5 -9.9 29 35 A C + 0 0 0 1,-0.1 42,-0.2 2,-0.1 -2,-0.1 0.805 66.0 122.5 62.3 35.1 23.5 -3.2 -12.3 30 36 A R + 0 0 4 1,-0.1 2,-1.8 2,-0.1 9,-0.2 0.387 40.6 100.4-103.4 1.7 20.9 -3.1 -15.1 31 37 A A S >> S- 0 0 0 39,-1.7 3,-1.8 38,-0.2 4,-0.5 -0.500 73.4-147.4 -87.0 69.5 20.4 0.6 -15.0 32 38 A L G >4 S- 0 0 5 -2,-1.8 3,-1.2 1,-0.3 -2,-0.1 -0.049 77.1 -0.9 -41.4 124.5 22.7 1.3 -18.0 33 39 A N G 34 S- 0 0 14 1,-0.3 -1,-0.3 619,-0.1 40,-0.1 0.832 127.9 -68.9 58.5 34.7 24.5 4.6 -17.7 34 40 A N G <4 S+ 0 0 22 -3,-1.8 39,-1.0 1,-0.2 -1,-0.3 0.786 106.1 125.5 55.3 33.3 22.7 5.2 -14.4 35 41 A I << - 0 0 36 -3,-1.2 -1,-0.2 -4,-0.5 44,-0.1 -0.981 68.6-115.4-121.4 119.5 19.4 5.6 -16.2 36 42 A P - 0 0 1 0, 0.0 2,-0.2 0, 0.0 -5,-0.1 -0.286 37.1-153.6 -53.4 137.2 16.5 3.3 -15.0 37 43 A Q >> - 0 0 41 1,-0.1 3,-1.1 -7,-0.0 4,-1.0 -0.685 29.7-103.5-110.9 166.8 15.6 1.0 -17.8 38 44 A A H 3> S+ 0 0 88 1,-0.3 4,-1.9 -2,-0.2 3,-0.3 0.816 118.2 66.5 -58.2 -30.1 12.3 -0.8 -18.7 39 45 A A H 3> S+ 0 0 15 1,-0.3 4,-2.8 2,-0.2 -1,-0.3 0.869 93.1 57.5 -61.1 -36.6 13.9 -4.0 -17.3 40 46 A L H <> S+ 0 0 0 -3,-1.1 4,-2.3 1,-0.2 5,-0.3 0.905 106.3 52.3 -60.9 -34.8 14.0 -2.5 -13.8 41 47 A G H X S+ 0 0 6 -4,-1.0 4,-2.6 -3,-0.3 5,-0.2 0.925 109.8 46.6 -64.7 -44.8 10.2 -2.1 -14.3 42 48 A E H X S+ 0 0 92 -4,-1.9 4,-2.7 2,-0.2 -2,-0.2 0.961 113.3 49.0 -60.1 -54.3 9.8 -5.7 -15.2 43 49 A Y H X S+ 0 0 2 -4,-2.8 4,-1.1 2,-0.2 -2,-0.2 0.938 117.8 37.9 -50.7 -60.3 11.9 -7.0 -12.4 44 50 A Y H >X S+ 0 0 3 -4,-2.3 4,-1.9 1,-0.2 3,-0.8 0.930 114.9 54.1 -62.0 -46.2 10.2 -5.0 -9.6 45 51 A E H 3< S+ 0 0 74 -4,-2.6 3,-0.3 -5,-0.3 -1,-0.2 0.905 106.0 55.8 -53.5 -40.9 6.8 -5.4 -11.1 46 52 A Q H 3< S+ 0 0 29 -4,-2.7 -1,-0.3 -5,-0.2 -2,-0.2 0.822 114.3 37.9 -60.5 -33.7 7.5 -9.2 -11.1 47 53 A R H << S+ 0 0 1 -4,-1.1 -1,-0.2 -3,-0.8 -2,-0.2 0.583 93.7 105.2 -97.4 -10.6 8.2 -9.0 -7.3 48 54 A A < - 0 0 2 -4,-1.9 2,-0.3 -3,-0.3 5,-0.1 -0.391 45.0-178.3 -73.3 146.3 5.5 -6.5 -6.3 49 55 A T > - 0 0 34 3,-0.1 3,-2.2 47,-0.1 2,-0.3 -0.955 41.0 -81.2-139.5 157.4 2.4 -7.7 -4.5 50 56 A A T 3 S+ 0 0 67 -2,-0.3 45,-0.3 1,-0.3 44,-0.2 -0.429 118.3 2.0 -62.2 120.9 -0.7 -5.9 -3.3 51 57 A G T 3 S+ 0 0 16 43,-4.4 -33,-1.2 1,-0.3 -32,-0.8 0.518 103.1 132.3 80.0 3.6 0.2 -4.4 0.1 52 58 A G < - 0 0 1 -3,-2.2 44,-2.9 42,-0.3 2,-0.5 -0.619 53.8-127.1 -90.3 150.0 3.7 -5.6 -0.1 53 59 A F E -cd 22 96B 1 -32,-0.6 -30,-1.8 -2,-0.2 2,-0.4 -0.817 22.9-171.1-101.5 132.8 6.7 -3.4 0.6 54 60 A L E -cd 23 97B 3 42,-2.8 44,-2.1 -2,-0.5 2,-0.5 -0.943 9.0-163.4-121.2 140.6 9.6 -3.0 -1.9 55 61 A I E - d 0 98B 0 -32,-0.9 -29,-0.3 -2,-0.4 44,-0.2 -0.989 23.2-134.3-123.2 120.4 13.0 -1.3 -1.4 56 62 A T E - 0 0 0 42,-2.3 3,-0.1 -2,-0.5 -29,-0.1 -0.066 30.1 -81.5 -69.0 172.1 14.9 -0.5 -4.6 57 63 A E E - 0 0 1 -32,-0.2 43,-0.6 -31,-0.2 -1,-0.1 -0.229 69.7 -71.9 -63.7 161.0 18.5 -1.0 -5.4 58 64 A G E - d 0 100B 1 41,-0.1 2,-0.4 43,-0.1 43,-0.2 -0.316 57.8-149.2 -57.5 140.9 20.9 1.6 -4.0 59 65 A T E - d 0 101B 0 41,-2.1 43,-3.1 -3,-0.1 14,-0.3 -0.966 13.0-112.1-126.8 130.9 20.4 4.8 -6.0 60 66 A M B -j 73 0C 7 12,-2.9 14,-1.4 -2,-0.4 43,-0.1 -0.187 20.8-172.7 -54.6 139.6 22.9 7.6 -6.8 61 67 A I S S+ 0 0 2 41,-0.5 -1,-0.1 1,-0.3 103,-0.1 0.403 73.1 5.0-111.8 -5.1 22.4 11.0 -5.2 62 68 A S S > S- 0 0 2 102,-0.0 3,-1.8 99,-0.0 -1,-0.3 -0.974 82.8 -94.1-168.4 164.2 25.1 12.7 -7.1 63 69 A P T 3 S+ 0 0 73 0, 0.0 3,-0.2 0, 0.0 -3,-0.0 0.580 123.6 50.0 -66.0 -6.3 27.7 12.2 -10.0 64 70 A T T 3 S+ 0 0 47 49,-0.1 56,-0.4 1,-0.1 41,-0.1 0.229 89.7 81.7-114.1 13.4 30.3 11.2 -7.3 65 71 A S < + 0 0 1 -3,-1.8 39,-2.1 38,-0.1 2,-0.2 0.445 68.2 98.7 -99.3 -0.0 28.2 8.7 -5.3 66 72 A A + 0 0 6 46,-0.3 43,-0.3 -4,-0.2 46,-0.1 -0.556 27.3 160.8 -93.3 155.8 28.7 5.6 -7.4 67 73 A G + 0 0 1 -2,-0.2 67,-0.2 41,-0.2 -1,-0.1 0.075 65.7 63.4-153.8 17.2 31.1 2.7 -7.0 68 74 A Y S > S- 0 0 26 44,-0.1 3,-0.5 65,-0.1 2,-0.3 -0.958 89.4 -95.0-142.1 156.2 29.4 0.0 -9.1 69 75 A P T 3 S- 0 0 7 0, 0.0 -38,-0.2 0, 0.0 -37,-0.1 -0.550 95.3 -5.9 -80.4 140.8 28.6 -0.1 -12.8 70 76 A H T 3 S+ 0 0 22 -2,-0.3 -39,-1.7 1,-0.2 -42,-0.1 0.865 80.2 159.8 46.8 53.7 25.3 1.0 -14.2 71 77 A V < - 0 0 1 -3,-0.5 -1,-0.2 -42,-0.2 -12,-0.1 -0.821 46.1 -98.4 -99.9 142.2 23.5 1.7 -10.9 72 78 A P - 0 0 0 0, 0.0 -12,-2.9 0, 0.0 2,-0.3 -0.182 35.8-158.0 -61.3 152.2 20.4 3.9 -11.1 73 79 A G B -j 60 0C 0 -39,-1.0 -12,-0.2 -14,-0.3 28,-0.0 -0.797 16.7-168.0-123.4 166.3 20.6 7.6 -10.2 74 80 A I + 0 0 0 -14,-1.4 93,-0.2 -2,-0.3 94,-0.1 -0.092 64.7 93.3-147.5 37.3 17.9 10.0 -9.2 75 81 A F S S+ 0 0 61 92,-0.1 2,-0.3 -13,-0.0 -14,-0.1 0.255 75.5 65.0-115.8 9.3 19.7 13.4 -9.4 76 82 A T S > S- 0 0 49 1,-0.1 4,-2.3 -14,-0.1 5,-0.2 -0.959 81.9-121.8-132.1 151.6 18.7 14.4 -13.0 77 83 A K H > S+ 0 0 148 -2,-0.3 4,-2.5 1,-0.2 5,-0.2 0.889 115.7 56.9 -55.8 -40.2 15.3 15.2 -14.6 78 84 A E H > S+ 0 0 70 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.927 106.6 47.6 -58.4 -46.4 16.0 12.3 -17.0 79 85 A Q H > S+ 0 0 7 1,-0.2 4,-2.5 2,-0.2 -2,-0.2 0.922 110.9 50.7 -63.0 -45.0 16.4 9.8 -14.1 80 86 A V H X S+ 0 0 7 -4,-2.3 4,-2.6 1,-0.2 -1,-0.2 0.916 108.1 53.5 -59.9 -42.4 13.3 11.0 -12.3 81 87 A R H X S+ 0 0 114 -4,-2.5 4,-1.0 1,-0.2 -1,-0.2 0.909 111.6 44.6 -60.8 -41.7 11.3 10.6 -15.5 82 88 A E H X S+ 0 0 44 -4,-1.9 4,-1.1 2,-0.2 3,-0.2 0.882 111.7 52.3 -71.2 -36.5 12.4 7.0 -16.0 83 89 A W H >X S+ 0 0 0 -4,-2.5 4,-2.7 1,-0.2 3,-1.0 0.940 101.9 60.9 -62.5 -46.0 11.8 6.1 -12.4 84 90 A K H 3X S+ 0 0 97 -4,-2.6 4,-1.9 1,-0.3 -1,-0.2 0.845 101.9 52.3 -50.0 -39.4 8.3 7.4 -12.5 85 91 A K H 3X S+ 0 0 111 -4,-1.0 4,-1.4 -3,-0.2 -1,-0.3 0.852 111.5 47.1 -67.4 -33.0 7.4 4.9 -15.2 86 92 A I H <>S+ 0 0 0 -4,-2.1 5,-1.2 1,-0.2 3,-1.0 0.920 112.7 49.4 -63.2 -44.9 4.8 -1.1 -9.3 91 97 A H H ><5S+ 0 0 64 -4,-3.4 3,-1.7 1,-0.3 -1,-0.2 0.822 101.0 64.9 -64.7 -30.3 1.9 1.0 -7.9 92 98 A A H 3<5S+ 0 0 86 -4,-2.3 -1,-0.3 1,-0.3 -2,-0.2 0.777 100.3 51.5 -64.6 -25.2 -0.4 -0.6 -10.4 93 99 A K T <<5S- 0 0 83 -3,-1.0 -1,-0.3 -4,-0.8 -2,-0.2 0.439 122.0-109.3 -91.0 2.6 0.1 -3.9 -8.7 94 100 A G T < 5 + 0 0 38 -3,-1.7 -43,-4.4 1,-0.2 -42,-0.3 0.820 69.4 138.6 78.1 34.8 -0.7 -2.3 -5.3 95 101 A A < - 0 0 5 -5,-1.2 2,-0.4 -45,-0.3 -1,-0.2 -0.697 50.1-126.2-110.2 161.7 2.7 -2.3 -3.7 96 102 A V E -d 53 0B 17 -44,-2.9 -42,-2.8 -2,-0.2 2,-0.4 -0.859 29.7-171.5-103.7 141.2 4.6 0.3 -1.6 97 103 A I E -d 54 0B 0 -2,-0.4 77,-1.9 -44,-0.2 78,-1.0 -0.973 12.9-170.0-144.6 127.5 8.0 1.3 -2.8 98 104 A F E -de 55 175B 0 -44,-2.1 -42,-2.3 -2,-0.4 2,-0.6 -0.846 22.3-131.6-109.2 147.4 10.9 3.3 -1.3 99 105 A C E - e 0 176B 0 76,-2.3 78,-1.8 -2,-0.3 2,-0.5 -0.878 19.5-135.0-100.6 125.1 14.0 4.4 -3.2 100 106 A Q E -de 58 177B 5 -2,-0.6 -41,-2.1 -43,-0.6 2,-0.6 -0.698 12.7-143.2 -82.6 123.0 17.2 3.7 -1.3 101 107 A L E -de 59 178B 0 76,-2.6 78,-2.0 -2,-0.5 2,-0.4 -0.770 25.8-169.5 -86.6 122.9 19.5 6.7 -1.5 102 108 A W + 0 0 6 -43,-3.1 -41,-0.5 -2,-0.6 2,-0.5 -0.953 23.2 172.5-128.5 126.0 23.1 5.4 -1.8 103 109 A H - 0 0 1 -2,-0.4 82,-1.3 76,-0.4 83,-0.4 -0.980 15.7-160.6-128.1 117.7 26.5 7.0 -1.6 104 110 A V > - 0 0 0 -39,-2.1 3,-2.2 -2,-0.5 -38,-0.1 0.582 18.1-169.7 -73.4 -13.2 29.5 4.6 -1.7 105 111 A G T 3 S- 0 0 0 1,-0.3 15,-0.3 79,-0.2 -1,-0.2 -0.369 73.3 -4.4 58.9-128.4 32.0 7.0 -0.2 106 112 A R T 3 S+ 0 0 8 1,-0.2 2,-2.1 77,-0.2 -1,-0.3 0.555 111.9 94.2 -74.8 -8.9 35.5 5.5 -0.5 107 113 A A S < S+ 0 0 4 -3,-2.2 2,-0.2 76,-0.1 -1,-0.2 -0.354 75.2 84.5 -81.8 59.3 34.2 2.3 -1.9 108 114 A S - 0 0 0 -2,-2.1 2,-0.3 36,-0.2 -41,-0.2 -0.742 64.8-132.6-142.1-170.3 34.7 3.5 -5.4 109 115 A H >> - 0 0 45 -43,-0.3 3,-3.1 -2,-0.2 4,-0.6 -0.990 33.6-104.1-152.5 152.4 37.3 3.8 -8.2 110 116 A E G >4 S+ 0 0 38 -2,-0.3 3,-1.3 1,-0.3 6,-0.3 0.809 118.5 64.6 -45.3 -35.4 38.6 6.5 -10.6 111 117 A V G 34 S+ 0 0 43 1,-0.3 -1,-0.3 5,-0.1 4,-0.1 0.681 104.5 44.2 -64.6 -20.2 36.6 4.7 -13.3 112 118 A Y G <4 S+ 0 0 31 -3,-3.1 -46,-0.3 5,-0.1 -1,-0.3 0.381 101.6 86.3-103.9 -0.2 33.3 5.5 -11.5 113 119 A Q S X< S- 0 0 13 -3,-1.3 3,-2.2 -4,-0.6 -49,-0.1 -0.853 87.4-107.5-107.6 135.3 34.3 9.1 -10.8 114 120 A P G > S+ 0 0 64 0, 0.0 3,-2.1 0, 0.0 -2,-0.1 -0.315 107.8 6.3 -57.3 138.3 33.8 12.0 -13.2 115 121 A A G 3 S- 0 0 110 1,-0.3 3,-0.1 -4,-0.1 -4,-0.1 0.738 124.0 -81.1 58.9 22.5 37.2 13.1 -14.7 116 122 A G G < S+ 0 0 42 -3,-2.2 -1,-0.3 -6,-0.3 -6,-0.1 0.715 82.2 166.9 57.7 20.2 38.6 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-0.713 44.1 -91.6-127.5 177.6 38.9 15.2 -36.1 673 324 B R H > S+ 0 0 67 -2,-0.2 4,-2.0 1,-0.2 5,-0.2 0.949 128.3 46.3 -58.5 -47.6 42.5 16.0 -35.0 674 325 B E H > S+ 0 0 126 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.924 115.5 43.9 -61.1 -48.8 41.1 17.7 -31.9 675 326 B L H > S+ 0 0 50 1,-0.2 4,-2.9 2,-0.2 -1,-0.2 0.833 110.9 55.4 -67.5 -33.4 38.6 15.0 -31.0 676 327 B G H X S+ 0 0 0 -4,-2.8 4,-1.9 2,-0.2 -1,-0.2 0.898 109.2 47.1 -66.3 -40.0 41.2 12.3 -31.7 677 328 B I H X S+ 0 0 37 -4,-2.0 4,-3.0 -5,-0.2 5,-0.2 0.933 113.8 48.1 -65.9 -45.5 43.6 13.9 -29.2 678 329 B E H X S+ 0 0 91 -4,-2.1 4,-2.6 1,-0.2 6,-0.3 0.939 108.7 53.5 -60.0 -49.9 40.8 14.2 -26.6 679 330 B A H <>S+ 0 0 3 -4,-2.9 5,-2.5 1,-0.2 6,-1.0 0.908 115.8 39.9 -52.7 -46.6 39.6 10.6 -27.1 680 331 B V H ><5S+ 0 0 17 -4,-1.9 3,-1.9 3,-0.2 -2,-0.2 0.956 113.4 52.0 -70.1 -51.0 43.1 9.3 -26.4 681 332 B A H 3<5S+ 0 0 70 -4,-3.0 -2,-0.2 1,-0.3 -1,-0.2 0.864 112.5 46.4 -54.4 -40.1 44.1 11.8 -23.6 682 333 B Q T 3<5S- 0 0 106 -4,-2.6 -1,-0.3 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4,-2.3 1,-0.2 5,-0.2 -0.266 73.5 136.9 -95.2 44.5 49.7 12.2 -45.5 700 351 B L H <> + 0 0 0 -3,-1.4 4,-2.9 -2,-0.3 5,-0.2 0.870 69.5 54.3 -58.8 -41.3 46.9 12.6 -42.9 701 352 B V H > S+ 0 0 9 -3,-0.4 4,-1.8 1,-0.2 -1,-0.2 0.945 111.2 44.9 -59.5 -48.0 49.1 11.2 -40.2 702 353 B M H > S+ 0 0 104 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.863 113.3 51.7 -64.5 -36.0 51.8 13.7 -40.9 703 354 B R H X>S+ 0 0 12 -4,-2.3 5,-2.2 2,-0.2 4,-1.1 0.920 107.6 50.7 -68.4 -42.0 49.3 16.5 -41.1 704 355 B I H <5S+ 0 0 5 -4,-2.9 -1,-0.2 1,-0.2 -2,-0.2 0.863 111.5 50.2 -64.0 -32.9 47.7 15.6 -37.8 705 356 B K H <5S+ 0 0 119 -4,-1.8 -2,-0.2 1,-0.2 -1,-0.2 0.911 118.4 36.1 -70.7 -43.3 51.2 15.6 -36.3 706 357 B L H <5S- 0 0 109 -4,-2.2 -1,-0.2 -5,-0.1 -2,-0.2 0.472 104.7-127.4 -87.9 -1.5 52.1 19.1 -37.7 707 358 B N T <5 + 0 0 104 -4,-1.1 -3,-0.2 1,-0.2 -4,-0.1 0.958 53.2 167.5 52.0 50.0 48.5 20.3 -37.2 708 359 B A < - 0 0 24 -5,-2.2 -1,-0.2 1,-0.1 -2,-0.0 -0.567 42.4 -81.0 -94.3 160.4 48.7 21.3 -40.8 709 360 B P - 0 0 113 0, 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-1,-0.2 -3,-0.2 -2,-0.1 0.221 93.7 119.9-117.7 13.1 32.9 5.2 -55.6 720 371 B T - 0 0 53 1,-0.1 -3,-0.1 6,-0.1 -217,-0.0 -0.282 63.9-125.7 -73.9 167.3 33.9 6.0 -59.1 721 372 B Q + 0 0 63 -326,-0.1 -324,-0.2 -325,-0.0 -1,-0.1 0.509 64.1 122.3 -94.9 -6.5 36.2 3.6 -61.1 722 373 B D - 0 0 73 1,-0.2 -2,-0.1 3,-0.1 0, 0.0 -0.334 57.1-143.1 -59.5 133.8 39.0 5.9 -62.3 723 374 B P S S+ 0 0 70 0, 0.0 -1,-0.2 0, 0.0 -328,-0.1 0.657 93.7 16.9 -72.2 -14.5 42.3 4.5 -61.0 724 375 B V S >>>S+ 0 0 70 3,-0.1 3,-2.6 4,-0.1 4,-2.5 0.722 98.7 88.3-121.6 -57.3 43.6 8.1 -60.4 725 376 B V T 345S- 0 0 76 1,-0.3 -3,-0.1 2,-0.2 -1,-0.1 -0.274 114.0 -5.7 -55.0 121.4 41.0 10.8 -60.3 726 377 B G T 345S+ 0 0 4 1,-0.1 -1,-0.3 -2,-0.1 -12,-0.1 0.615 133.7 67.1 69.3 11.9 39.6 11.2 -56.8 727 378 B Y T <45S- 0 0 0 -3,-2.6 -2,-0.2 -31,-0.0 -3,-0.1 0.661 117.8 -0.2-127.1 -52.2 41.7 8.2 -55.7 728 379 B T T <5S+ 0 0 17 -4,-2.5 -3,-0.2 1,-0.1 -4,-0.1 0.330 112.1 81.1-125.7 5.6 45.5 8.9 -55.9 729 380 B D < + 0 0 80 -5,-1.3 -4,-0.1 2,-0.1 -1,-0.1 0.208 57.5 116.1 -97.4 13.7 45.5 12.5 -57.1 730 381 B Y S S- 0 0 13 -35,-0.2 -33,-0.1 -3,-0.1 -17,-0.0 -0.741 70.9-117.2 -81.2 127.5 44.8 14.1 -53.7 731 382 B P - 0 0 75 0, 0.0 -32,-0.3 0, 0.0 2,-0.1 -0.234 14.9-128.8 -69.6 153.7 48.0 16.2 -52.9 732 383 B F 0 0 106 -35,-0.1 -32,-0.0 -34,-0.1 -321,-0.0 -0.443 360.0 360.0 -89.5 169.8 50.5 15.8 -50.1 733 384 B L 0 0 104 -2,-0.1 -1,-0.1 -34,-0.1 -23,-0.0 0.909 360.0 360.0 -61.1 360.0 51.5 18.7 -47.9