==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=29-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 18-MAR-02 1GWJ . COMPND 2 MOLECULE: MORPHINONE REDUCTASE; . SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOMONAS PUTIDA; . AUTHOR T.M.BARNA,P.C.E.MOODY . 374 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15329.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 237 63.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 47 12.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 12 3.2 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 . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.5 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 . 27 7.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 39 10.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 93 24.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 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 1 1 1 1 2 0 0 0 0 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 2 2 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 0 0 PARALLEL BRIDGES PER LADDER . 1 0 1 0 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 ANTIPARALLEL BRIDGES PER LADDER . 2 1 0 0 0 0 0 0 1 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 4 A T 0 0 189 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -20.3 34.3 41.7 51.7 2 5 A S + 0 0 123 1,-0.1 2,-0.6 2,-0.0 0, 0.0 0.989 360.0 63.0 -62.5 -61.8 33.9 43.8 48.6 3 6 A F + 0 0 76 2,-0.0 -1,-0.1 1,-0.0 2,-0.1 -0.550 68.1 178.1 -71.9 111.6 30.6 42.2 47.4 4 7 A S - 0 0 74 -2,-0.6 -2,-0.0 0, 0.0 -1,-0.0 -0.082 44.2 -89.3 -92.9-160.3 27.8 42.8 50.0 5 8 A N - 0 0 131 -2,-0.1 310,-0.1 312,-0.0 309,-0.0 -0.602 50.8-171.3-117.2 72.1 24.3 41.6 49.6 6 9 A P - 0 0 11 0, 0.0 2,-0.2 0, 0.0 6,-0.0 -0.211 3.4-157.3 -62.5 149.1 22.5 44.5 47.8 7 10 A G > - 0 0 18 4,-0.1 3,-1.9 307,-0.1 15,-0.1 -0.680 37.7 -90.3-118.5 177.1 18.8 44.5 47.3 8 11 A L T 3 S+ 0 0 10 1,-0.3 14,-2.8 -2,-0.2 15,-0.3 0.731 129.1 43.6 -60.1 -23.2 16.5 46.3 44.9 9 12 A F T 3 S+ 0 0 88 12,-0.2 -1,-0.3 13,-0.1 330,-0.0 0.116 85.7 115.2-111.7 20.8 16.2 49.2 47.4 10 13 A T S < S- 0 0 50 -3,-1.9 9,-0.0 1,-0.1 11,-0.0 -0.800 73.5-113.0 -91.5 123.5 19.9 49.4 48.3 11 14 A P - 0 0 86 0, 0.0 2,-0.4 0, 0.0 11,-0.1 -0.146 34.5-155.8 -52.3 151.7 21.4 52.7 47.2 12 15 A L E -A 19 0A 20 7,-1.7 7,-2.8 9,-0.2 2,-0.9 -0.999 18.6-135.6-138.3 136.0 24.1 52.4 44.4 13 16 A Q E -A 18 0A 114 -2,-0.4 2,-0.9 5,-0.2 5,-0.2 -0.811 25.1-175.3 -88.9 104.8 27.0 54.6 43.3 14 17 A L E > -A 17 0A 3 3,-2.7 3,-1.6 -2,-0.9 2,-0.4 -0.852 65.2 -52.7-103.7 94.0 26.6 54.7 39.5 15 18 A G T 3 S- 0 0 34 -2,-0.9 216,-0.2 252,-0.4 215,-0.1 -0.617 119.0 -25.9 73.4-130.0 29.7 56.6 38.4 16 19 A S T 3 S+ 0 0 60 214,-1.5 2,-0.5 -2,-0.4 -1,-0.3 0.196 122.1 96.8-100.3 14.7 29.7 59.8 40.4 17 20 A L E < -A 14 0A 13 -3,-1.6 -3,-2.7 213,-0.4 2,-0.5 -0.907 68.1-138.6-111.5 130.3 26.0 59.7 40.8 18 21 A S E -A 13 0A 74 -2,-0.5 -5,-0.2 -5,-0.2 -2,-0.1 -0.720 17.0-160.0 -87.0 123.9 24.1 58.3 43.9 19 22 A L E -A 12 0A 3 -7,-2.8 -7,-1.7 -2,-0.5 34,-0.1 -0.854 14.9-147.7-104.0 140.4 21.0 56.3 43.2 20 23 A P S S- 0 0 57 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.787 80.5 -2.3 -74.5 -30.4 18.4 55.7 45.9 21 24 A N - 0 0 15 -9,-0.1 -12,-0.2 -10,-0.1 -9,-0.2 -0.883 66.5-114.3-149.7-179.2 17.5 52.2 44.5 22 25 A R S S+ 0 0 22 -14,-2.8 300,-2.1 -2,-0.3 2,-1.0 0.074 76.4 108.6-113.3 23.1 18.3 49.8 41.8 23 26 A V E -b 322 0B 0 -15,-0.3 30,-1.4 28,-0.2 31,-0.5 -0.803 56.2-167.0-101.1 90.6 15.0 49.7 39.9 24 27 A I E -bc 323 54B 2 298,-2.3 300,-2.6 -2,-1.0 2,-0.8 -0.524 21.4-128.2 -86.0 146.3 15.9 51.6 36.7 25 28 A M E -bc 324 55B 2 29,-2.7 31,-2.4 298,-0.2 300,-0.2 -0.831 29.5-137.2 -92.6 112.0 13.5 53.0 34.1 26 29 A A - 0 0 3 298,-1.7 2,-0.1 -2,-0.8 302,-0.0 -0.277 30.8 -88.9 -67.2 152.5 14.7 51.7 30.7 27 30 A P - 0 0 14 0, 0.0 2,-0.4 0, 0.0 31,-0.2 -0.417 52.0-174.7 -63.5 130.2 14.7 54.1 27.7 28 31 A L - 0 0 30 28,-0.3 2,-0.2 -2,-0.1 30,-0.1 -0.924 22.9-139.4-138.4 114.2 11.3 54.0 26.1 29 32 A T + 0 0 30 -2,-0.4 43,-0.1 1,-0.2 31,-0.1 -0.505 29.1 164.6 -69.5 130.3 10.2 55.7 22.9 30 33 A R - 0 0 2 -2,-0.2 324,-1.0 41,-0.1 -1,-0.2 0.498 34.6-142.3-123.6 -11.9 6.7 57.1 23.3 31 34 A S + 0 0 3 322,-0.2 41,-0.2 1,-0.1 -2,-0.1 0.913 52.4 140.8 43.7 54.4 6.3 59.5 20.4 32 35 A R + 0 0 8 1,-0.1 -1,-0.1 39,-0.1 40,-0.1 0.149 46.5 79.7-109.0 15.5 4.3 61.9 22.6 33 36 A T - 0 0 3 38,-1.8 -1,-0.1 1,-0.2 -2,-0.1 -0.783 54.5-172.8-127.0 88.0 5.9 65.1 21.2 34 37 A P S S+ 0 0 106 0, 0.0 37,-0.5 0, 0.0 2,-0.3 0.908 88.5 40.5 -41.9 -51.9 4.3 66.1 17.8 35 38 A D S S- 0 0 95 2,-0.2 39,-0.0 36,-0.1 -3,-0.0 -0.708 106.6-109.6 -93.3 152.2 7.1 68.7 17.6 36 39 A S S S+ 0 0 34 -2,-0.3 38,-2.3 37,-0.1 -1,-0.1 0.336 90.3 105.9 -67.1 14.2 10.5 67.5 18.8 37 40 A V - 0 0 44 36,-0.2 -2,-0.2 46,-0.1 43,-0.1 -0.842 68.9-135.2-104.5 112.7 10.1 69.7 21.9 38 41 A P + 0 0 3 0, 0.0 48,-0.2 0, 0.0 2,-0.2 -0.329 33.8 175.2 -61.0 139.7 9.3 68.1 25.3 39 42 A G >> - 0 0 26 47,-0.1 4,-1.6 45,-0.0 3,-0.9 -0.434 48.7 -56.4-128.7-157.5 6.6 70.0 27.2 40 43 A R H 3> S+ 0 0 191 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.876 125.3 63.5 -56.0 -39.5 4.5 69.8 30.3 41 44 A L H 3> S+ 0 0 44 1,-0.3 4,-2.5 2,-0.2 -1,-0.2 0.875 105.9 45.3 -54.7 -38.6 3.1 66.4 29.4 42 45 A Q H <> S+ 0 0 6 -3,-0.9 4,-2.9 2,-0.2 5,-0.5 0.831 107.1 59.0 -72.8 -33.4 6.7 65.0 29.6 43 46 A Q H X S+ 0 0 71 -4,-1.6 4,-1.1 1,-0.2 -2,-0.2 0.874 112.4 41.1 -61.2 -35.1 7.2 66.9 32.9 44 47 A I H X S+ 0 0 70 -4,-2.1 4,-1.9 2,-0.2 -2,-0.2 0.915 115.4 49.1 -79.1 -45.9 4.2 65.0 34.2 45 48 A Y H X S+ 0 0 0 -4,-2.5 4,-0.7 -5,-0.2 -2,-0.2 0.954 119.0 36.8 -59.1 -54.5 5.1 61.6 32.6 46 49 A Y H >< S+ 0 0 1 -4,-2.9 3,-0.6 1,-0.2 -1,-0.2 0.844 114.8 56.5 -68.3 -34.0 8.7 61.6 33.8 47 50 A G H >< S+ 0 0 5 -4,-1.1 3,-1.5 -5,-0.5 -1,-0.2 0.835 99.3 59.4 -67.3 -32.1 7.8 63.2 37.1 48 51 A Q H 3< S+ 0 0 31 -4,-1.9 3,-0.2 1,-0.3 -1,-0.2 0.794 111.7 41.9 -65.5 -25.8 5.4 60.5 37.9 49 52 A R T X< S+ 0 0 0 -4,-0.7 3,-1.6 -3,-0.6 -1,-0.3 -0.003 75.3 118.5-109.9 25.4 8.3 58.0 37.7 50 53 A A T < + 0 0 3 -3,-1.5 47,-0.2 1,-0.3 -1,-0.2 0.638 61.1 75.7 -67.5 -14.3 10.9 60.1 39.5 51 54 A S T 3 + 0 0 55 281,-0.4 -1,-0.3 -3,-0.2 -28,-0.2 0.630 69.2 116.8 -71.8 -13.8 11.2 57.4 42.2 52 55 A A S < S- 0 0 0 -3,-1.6 45,-0.4 280,-0.2 3,-0.2 -0.284 79.1-124.5 -55.4 135.3 13.2 55.4 39.7 53 56 A G S S- 0 0 0 -30,-1.4 2,-0.3 1,-0.3 -29,-0.2 0.816 98.6 -8.1 -51.5 -25.7 16.8 54.8 40.9 54 57 A L E -c 24 0B 2 -31,-0.5 -29,-2.7 -35,-0.1 2,-0.6 -0.848 69.5-140.3-172.2 131.5 17.5 56.4 37.6 55 58 A I E -cd 25 98B 0 42,-2.9 44,-3.0 -2,-0.3 2,-0.7 -0.894 10.0-159.8-100.8 121.0 15.4 57.3 34.7 56 59 A I E - d 0 99B 3 -31,-2.4 -28,-0.3 -2,-0.6 44,-0.2 -0.911 28.9-128.6 -98.7 115.4 16.9 56.7 31.2 57 60 A S E - 0 0 0 42,-3.2 3,-0.1 -2,-0.7 -28,-0.1 0.102 28.5 -80.5 -57.4 172.2 15.0 59.0 28.9 58 61 A E E - 0 0 2 -31,-0.2 43,-0.6 -30,-0.1 -1,-0.1 -0.417 67.2 -80.6 -69.1 151.3 13.3 58.0 25.6 59 62 A A E - d 0 101B 4 41,-0.1 2,-0.4 -3,-0.1 43,-0.2 -0.365 55.3-155.6 -56.7 134.7 15.7 57.8 22.7 60 63 A T E - d 0 102B 0 41,-2.2 43,-3.3 -3,-0.1 2,-0.2 -0.980 15.4-116.0-124.8 129.7 16.3 61.4 21.6 61 64 A N E -ed 74 103B 0 12,-2.3 14,-1.4 -2,-0.4 43,-0.2 -0.393 13.9-160.1 -64.9 123.5 17.5 62.4 18.1 62 65 A I S S- 0 0 0 41,-2.0 -1,-0.1 -2,-0.2 42,-0.1 0.579 77.1 -4.2 -80.5 -9.9 20.9 64.1 18.1 63 66 A S S > S- 0 0 8 40,-0.3 3,-0.7 1,-0.1 4,-0.4 -0.974 78.0 -95.4-170.1 167.2 20.0 65.7 14.7 64 67 A P G > S+ 0 0 47 0, 0.0 3,-1.1 0, 0.0 -1,-0.1 0.884 123.1 54.3 -60.7 -36.5 17.4 65.8 11.9 65 68 A T G 3 S+ 0 0 41 1,-0.2 56,-0.3 49,-0.1 41,-0.1 0.736 99.9 61.3 -69.6 -24.2 19.3 63.1 10.0 66 69 A A G < S+ 0 0 0 -3,-0.7 39,-2.4 37,-0.1 -1,-0.2 0.562 81.9 111.8 -81.2 -7.4 19.3 60.8 13.0 67 70 A R < + 0 0 68 -3,-1.1 43,-0.3 -4,-0.4 3,-0.1 -0.437 22.9 152.9 -76.6 137.3 15.5 60.6 13.0 68 71 A G + 0 0 0 1,-0.3 66,-0.6 -2,-0.2 2,-0.4 0.416 65.9 53.6-133.4 -10.5 13.7 57.4 12.1 69 72 A Y B > S-k 134 0C 38 64,-0.2 3,-0.6 44,-0.1 -1,-0.3 -0.990 78.5-127.3-135.5 125.7 10.4 57.8 14.1 70 73 A V T 3 S+ 0 0 5 64,-1.7 284,-0.1 -2,-0.4 -37,-0.1 -0.213 89.3 30.8 -69.0 159.0 8.0 60.8 14.0 71 74 A Y T 3 S+ 0 0 47 -37,-0.5 -38,-1.8 1,-0.2 -1,-0.2 0.731 89.3 138.6 64.1 25.3 6.9 62.7 17.1 72 75 A T < - 0 0 3 -3,-0.6 -1,-0.2 -41,-0.2 -12,-0.1 -0.760 56.9-104.2-101.0 145.0 10.2 61.9 18.7 73 76 A P - 0 0 0 0, 0.0 -12,-2.3 0, 0.0 2,-0.2 -0.311 32.9-156.1 -70.1 150.7 12.2 64.4 20.8 74 77 A G B -e 61 0B 0 -38,-2.3 -12,-0.2 -14,-0.2 -39,-0.0 -0.657 16.8-163.7-116.9 175.4 15.2 66.1 19.5 75 78 A I + 0 0 0 -14,-1.4 96,-0.2 -2,-0.2 97,-0.1 -0.170 69.9 83.1-157.3 50.2 18.3 67.8 21.1 76 79 A W S S+ 0 0 66 95,-0.1 2,-0.3 -15,-0.0 -14,-0.1 0.213 81.0 71.5-134.8 7.9 19.9 69.9 18.5 77 80 A T S > S- 0 0 53 1,-0.1 4,-2.8 -14,-0.0 5,-0.2 -0.941 77.1-129.1-128.5 148.9 17.7 73.0 18.9 78 81 A D H > S+ 0 0 108 -2,-0.3 4,-2.9 1,-0.2 5,-0.3 0.911 111.4 55.1 -61.8 -42.1 17.4 75.7 21.6 79 82 A A H > S+ 0 0 53 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.910 111.3 44.9 -57.4 -42.5 13.7 75.2 21.7 80 83 A Q H > S+ 0 0 2 2,-0.2 4,-2.9 1,-0.2 5,-0.2 0.954 112.3 51.1 -65.4 -51.0 14.2 71.4 22.3 81 84 A E H X S+ 0 0 18 -4,-2.8 4,-2.2 1,-0.3 -2,-0.2 0.871 111.8 47.7 -54.5 -39.4 16.9 72.1 24.9 82 85 A A H X S+ 0 0 65 -4,-2.9 4,-1.6 2,-0.2 -1,-0.3 0.879 110.2 52.9 -70.4 -36.5 14.6 74.5 26.7 83 86 A G H X S+ 0 0 12 -4,-1.9 4,-1.2 -5,-0.3 -2,-0.2 0.930 111.0 46.5 -63.1 -44.3 11.8 71.9 26.5 84 87 A W H X S+ 0 0 0 -4,-2.9 4,-3.7 1,-0.2 5,-0.3 0.890 104.5 60.9 -64.2 -40.7 14.1 69.3 28.1 85 88 A K H X S+ 0 0 117 -4,-2.2 4,-2.4 1,-0.3 -1,-0.2 0.896 104.0 50.2 -56.0 -39.8 15.3 71.7 30.8 86 89 A G H X S+ 0 0 21 -4,-1.6 4,-1.6 2,-0.2 -1,-0.3 0.862 113.7 46.1 -66.4 -34.3 11.7 72.0 32.0 87 90 A V H X S+ 0 0 0 -4,-1.2 4,-2.5 -3,-0.2 -2,-0.2 0.946 112.9 48.1 -71.3 -48.8 11.5 68.2 32.1 88 91 A V H X S+ 0 0 2 -4,-3.7 4,-2.3 1,-0.2 -2,-0.2 0.876 113.1 49.7 -58.4 -38.5 14.9 67.8 33.8 89 92 A E H X S+ 0 0 129 -4,-2.4 4,-2.3 -5,-0.3 -1,-0.2 0.887 108.8 52.0 -68.6 -38.7 13.8 70.3 36.4 90 93 A A H X S+ 0 0 17 -4,-1.6 4,-0.5 2,-0.2 -2,-0.2 0.911 109.7 48.7 -64.9 -43.2 10.5 68.6 36.9 91 94 A V H ><>S+ 0 0 0 -4,-2.5 5,-2.1 1,-0.2 3,-1.4 0.950 112.2 48.8 -61.7 -48.9 12.2 65.3 37.6 92 95 A H H ><5S+ 0 0 72 -4,-2.3 3,-2.4 1,-0.3 -2,-0.2 0.887 102.6 61.3 -58.4 -40.8 14.6 66.9 40.0 93 96 A A H 3<5S+ 0 0 88 -4,-2.3 -1,-0.3 1,-0.3 -2,-0.2 0.683 108.5 46.2 -61.6 -16.3 11.7 68.6 41.9 94 97 A K T <<5S- 0 0 134 -3,-1.4 -1,-0.3 -4,-0.5 -2,-0.2 0.214 124.8-100.4-110.7 14.6 10.5 65.1 42.6 95 98 A G T < 5S+ 0 0 48 -3,-2.4 -3,-0.2 1,-0.2 -2,-0.1 0.523 76.8 131.2 84.7 7.7 13.8 63.6 43.7 96 99 A G < - 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0 0 0 -2,-2.3 39,-2.2 39,-0.3 2,-0.3 -0.898 65.2-133.1-158.5-174.5 14.8 55.3 8.6 110 113 A H >> - 0 0 31 -43,-0.3 4,-2.1 -2,-0.3 3,-0.9 -0.986 29.4-112.7-151.6 153.8 13.1 56.5 5.4 111 114 A E T 34 S+ 0 0 56 -2,-0.3 6,-0.5 1,-0.2 7,-0.2 0.864 114.2 62.8 -57.2 -36.1 13.2 59.6 3.2 112 115 A L T 34 S+ 0 0 74 1,-0.2 -1,-0.2 5,-0.1 5,-0.1 0.831 113.5 32.2 -58.3 -36.4 9.7 60.5 4.3 113 116 A V T <4 S+ 0 0 2 -3,-0.9 -1,-0.2 5,-0.1 -2,-0.2 0.677 105.2 91.1 -92.6 -22.6 10.7 60.9 7.9 114 117 A Q S >< S- 0 0 7 -4,-2.1 3,-1.4 4,-0.2 2,-0.2 -0.424 93.4 -97.1 -72.7 145.2 14.2 62.2 6.9 115 118 A P G > S+ 0 0 30 0, 0.0 3,-1.6 0, 0.0 -1,-0.1 -0.439 103.7 0.4 -68.1 135.9 14.5 66.0 6.5 116 119 A D G 3 S- 0 0 156 1,-0.3 -4,-0.1 -2,-0.2 -5,-0.1 0.812 123.1 -75.0 56.2 31.7 14.2 67.2 2.9 117 120 A G G < S+ 0 0 44 -3,-1.4 -1,-0.3 -6,-0.5 -6,-0.2 0.801 82.3 171.4 52.9 31.3 13.7 63.6 1.8 118 121 A Q < - 0 0 89 -3,-1.6 -4,-0.2 -7,-0.2 -1,-0.2 -0.332 39.2 -99.6 -70.8 154.2 17.4 63.0 2.3 119 122 A Q - 0 0 83 1,-0.1 32,-0.1 -2,-0.0 -1,-0.1 -0.595 41.1-107.6 -79.4 130.2 18.7 59.4 2.0 120 123 A P - 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0 0 16 -4,-1.5 3,-2.2 -5,-0.4 -3,-0.2 0.220 31.6 -91.2 89.6 139.6 33.1 63.2 32.2 229 232 A P G > S+ 0 0 35 0, 0.0 3,-2.0 0, 0.0 38,-1.6 0.832 124.5 68.6 -53.9 -32.7 33.2 59.4 32.0 230 233 A E G 3 S+ 0 0 96 1,-0.3 -214,-1.5 36,-0.2 -213,-0.4 0.679 106.2 40.3 -60.5 -19.2 31.8 59.1 35.5 231 234 A R G < S+ 0 0 63 -3,-2.2 -51,-1.3 -216,-0.2 2,-0.4 0.065 101.2 93.1-118.3 24.3 28.5 60.5 34.2 232 235 A V E < +g 180 0B 0 -3,-2.0 35,-1.5 -53,-0.2 36,-1.0 -0.943 45.7 176.7-122.2 139.7 28.4 58.6 30.9 233 236 A G E -gh 181 268B 0 -53,-2.6 -51,-3.3 -2,-0.4 2,-0.4 -0.898 12.5-151.8-133.1 165.3 26.7 55.3 30.1 234 237 A I E -gh 182 269B 4 34,-1.1 36,-2.9 -2,-0.3 2,-0.4 -1.000 9.5-140.0-141.5 139.9 26.3 53.2 26.9 235 238 A R E +gh 183 270B 10 -53,-2.9 -51,-1.1 -2,-0.4 2,-0.3 -0.843 25.2 178.3-102.1 137.8 23.6 50.8 25.9 236 239 A L E -gh 184 271B 7 34,-3.2 36,-1.9 -2,-0.4 -51,-0.2 -0.974 24.8-167.7-138.2 151.8 24.5 47.5 24.0 237 240 A T > + 0 0 5 -53,-0.5 3,-1.7 -2,-0.3 -50,-0.1 -0.499 17.5 175.3-139.0 66.6 22.8 44.4 22.6 238 241 A P T 3 S+ 0 0 19 0, 0.0 -1,-0.1 0, 0.0 11,-0.1 0.872 77.2 26.2 -35.0 -81.2 25.5 41.9 21.8 239 242 A F T 3 S+ 0 0 39 11,-0.1 2,-0.6 2,-0.1 42,-0.2 0.099 95.9 123.0 -82.6 28.5 23.8 38.7 20.7 240 243 A L < - 0 0 10 -3,-1.7 2,-0.9 40,-0.1 -53,-0.1 -0.792 44.7-165.1 -98.7 124.3 20.7 40.6 19.5 241 244 A E + 0 0 127 -2,-0.6 2,-0.3 33,-0.1 3,-0.2 -0.836 29.8 153.5-105.8 95.5 19.5 40.3 15.9 242 245 A L > + 0 0 48 -2,-0.9 3,-1.8 1,-0.2 -111,-0.1 -0.925 56.5 8.8-125.5 149.2 17.1 43.2 15.4 243 246 A F T 3 S- 0 0 60 -2,-0.3 -1,-0.2 1,-0.3 -112,-0.1 0.911 132.0 -54.4 49.8 49.1 16.0 45.2 12.3 244 247 A G T 3 S+ 0 0 43 1,-0.2 2,-0.3 -3,-0.2 -1,-0.3 0.547 100.6 144.0 66.5 8.5 17.8 42.8 10.0 245 248 A L < - 0 0 5 -3,-1.8 2,-0.3 -117,-0.1 -1,-0.2 -0.621 24.3-179.2 -83.6 137.8 21.1 43.2 11.8 246 249 A T - 0 0 60 -2,-0.3 -49,-1.6 -5,-0.1 -48,-0.5 -0.933 8.0-162.5-132.6 156.5 23.4 40.1 12.2 247 250 A D - 0 0 29 -2,-0.3 -52,-0.1 -51,-0.2 -53,-0.0 -0.990 18.9-172.4-147.0 134.5 26.8 39.6 13.9 248 251 A D S S+ 0 0 137 -2,-0.3 3,-0.1 1,-0.2 -1,-0.1 0.659 91.4 42.6 -96.7 -19.6 29.5 37.0 13.6 249 252 A E > + 0 0 73 1,-0.1 4,-1.8 2,-0.1 5,-0.2 -0.380 64.8 142.1-124.7 56.9 31.6 38.3 16.5 250 253 A P H > S+ 0 0 24 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.966 79.3 38.0 -59.9 -55.1 29.1 39.2 19.3 251 254 A E H > S+ 0 0 78 2,-0.2 4,-3.1 1,-0.2 5,-0.3 0.944 113.5 54.2 -62.9 -51.7 31.2 38.0 22.2 252 255 A A H > S+ 0 0 46 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.868 114.0 44.3 -52.2 -39.0 34.6 39.1 20.8 253 256 A M H X S+ 0 0 7 -4,-1.8 4,-3.1 2,-0.2 5,-0.3 0.929 111.4 51.2 -73.7 -44.1 33.1 42.6 20.4 254 257 A A H X S+ 0 0 4 -4,-2.5 4,-2.3 1,-0.2 -2,-0.2 0.891 113.3 47.1 -59.1 -38.6 31.4 42.6 23.9 255 258 A F H X S+ 0 0 32 -4,-3.1 4,-2.0 2,-0.2 -1,-0.2 0.914 113.2 47.8 -69.6 -42.9 34.7 41.6 25.5 256 259 A Y H X S+ 0 0 65 -4,-1.9 4,-2.5 -5,-0.3 5,-0.2 0.950 114.5 44.9 -63.9 -50.1 36.7 44.2 23.5 257 260 A L H X S+ 0 0 4 -4,-3.1 4,-3.6 1,-0.2 5,-0.4 0.947 109.8 56.2 -57.9 -49.1 34.3 47.1 24.3 258 261 A A H X S+ 0 0 1 -4,-2.3 4,-2.0 -5,-0.3 -1,-0.2 0.907 111.4 44.0 -49.1 -46.8 34.1 46.0 27.9 259 262 A G H X S+ 0 0 33 -4,-2.0 4,-1.9 2,-0.2 -1,-0.2 0.912 116.7 44.6 -67.1 -43.5 37.8 46.3 28.2 260 263 A E H X S+ 0 0 62 -4,-2.5 4,-1.3 1,-0.2 -2,-0.2 0.855 116.4 46.3 -69.0 -36.6 38.0 49.6 26.3 261 264 A L H X>S+ 0 0 0 -4,-3.6 5,-2.0 -5,-0.2 4,-0.7 0.833 110.9 52.2 -75.5 -33.2 35.1 51.1 28.2 262 265 A D H <5S+ 0 0 51 -4,-2.0 3,-0.5 -5,-0.4 -2,-0.2 0.899 107.5 52.3 -68.4 -40.9 36.4 50.0 31.6 263 266 A R H <5S+ 0 0 217 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.878 109.0 50.6 -61.0 -38.8 39.8 51.6 30.8 264 267 A R H <5S- 0 0 72 -4,-1.3 -1,-0.3 -5,-0.1 -2,-0.2 0.697 113.0-126.4 -72.4 -19.6 38.0 54.8 30.1 265 268 A G T <5 - 0 0 36 -4,-0.7 -3,-0.2 -3,-0.5 -2,-0.1 0.892 35.7-172.4 75.4 41.2 36.2 54.4 33.4 266 269 A L < - 0 0 5 -5,-2.0 32,-0.3 1,-0.1 -36,-0.2 -0.299 30.9-123.8 -64.6 149.6 32.6 54.7 32.1 267 270 A A S S- 0 0 3 -38,-1.6 31,-2.7 -35,-1.5 -252,-0.4 0.919 79.3 -24.1 -61.4 -42.6 29.9 54.9 34.7 268 271 A Y E -hi 233 298B 1 -36,-1.0 -34,-1.1 29,-0.2 2,-0.4 -0.997 44.6-126.1-164.9 169.3 28.1 51.8 33.3 269 272 A L E -hi 234 299B 1 29,-2.5 31,-2.9 -2,-0.3 2,-0.6 -0.990 24.6-156.1-123.4 128.1 27.2 49.4 30.6 270 273 A H E -hi 235 300B 0 -36,-2.9 -34,-3.2 -2,-0.4 2,-0.4 -0.945 10.1-165.3-112.6 116.3 23.5 48.8 29.9 271 274 A F E -hi 236 301B 1 29,-3.1 31,-1.8 -2,-0.6 2,-0.8 -0.853 12.7-157.1-104.2 131.0 22.6 45.5 28.3 272 275 A N E - i 0 302B 33 -36,-1.9 31,-0.2 -2,-0.4 -86,-0.2 -0.918 32.4-125.9-107.3 104.2 19.3 44.8 26.7 273 276 A E - 0 0 12 29,-2.3 9,-0.0 -2,-0.8 -36,-0.0 -0.153 0.1-136.2 -53.5 137.5 19.1 41.0 26.8 274 277 A P S S+ 0 0 0 0, 0.0 7,-0.2 0, 0.0 -1,-0.1 0.698 74.0 111.9 -67.9 -16.4 18.4 39.1 23.5 275 278 A D - 0 0 43 5,-0.1 2,-0.3 28,-0.1 5,-0.1 0.129 46.3-173.5 -51.6 170.2 16.0 37.0 25.5 276 279 A W B > -N 279 0E 135 3,-0.5 3,-1.1 4,-0.2 -1,-0.0 -0.853 34.8-126.5-169.3 130.4 12.2 37.1 25.0 277 280 A I T 3 S+ 0 0 147 1,-0.3 3,-0.1 -2,-0.3 -2,-0.0 0.524 113.1 41.7 -61.9 -0.7 9.5 35.4 27.0 278 281 A G T 3 S- 0 0 65 1,-0.1 2,-0.3 0, 0.0 -1,-0.3 -0.287 127.4 -41.3-144.1 55.8 8.4 34.0 23.6 279 282 A G B < S+N 276 0E 50 -3,-1.1 -3,-0.5 1,-0.1 -1,-0.1 -0.913 72.7 114.5 128.5-155.2 11.4 33.0 21.5 280 283 A D - 0 0 79 -2,-0.3 -4,-0.2 -5,-0.1 -1,-0.1 0.226 61.5 -86.7 69.2 165.8 14.8 34.3 20.8 281 284 A I - 0 0 91 -42,-0.2 2,-0.3 -7,-0.2 -5,-0.1 -0.236 44.2-129.2 -93.4-172.0 18.3 33.0 21.6 282 285 A T - 0 0 89 -2,-0.1 3,-0.1 -7,-0.1 -2,-0.0 -0.938 23.8 -78.3-144.1 164.8 20.2 33.6 24.9 283 286 A Y - 0 0 15 -2,-0.3 2,-0.1 1,-0.1 3,-0.1 -0.245 57.0-100.1 -59.3 146.8 23.5 34.7 26.4 284 287 A P > - 0 0 45 0, 0.0 3,-2.5 0, 0.0 4,-0.3 -0.471 47.0 -92.5 -70.1 139.8 26.3 32.1 26.4 285 288 A E T 3 S+ 0 0 203 1,-0.3 -3,-0.0 -2,-0.1 0, 0.0 -0.310 116.7 21.1 -52.1 121.5 26.7 30.3 29.7 286 289 A G T 3> S+ 0 0 30 -3,-0.1 4,-1.5 -2,-0.1 -1,-0.3 0.504 88.4 115.5 95.6 3.1 29.4 32.3 31.6 287 290 A F H <> S+ 0 0 0 -3,-2.5 4,-2.0 2,-0.2 5,-0.2 0.938 76.3 48.6 -70.0 -47.7 28.9 35.5 29.6 288 291 A R H > S+ 0 0 20 -4,-0.3 4,-2.1 1,-0.2 5,-0.2 0.908 109.4 52.4 -59.1 -45.2 27.6 37.5 32.6 289 292 A E H > S+ 0 0 92 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.915 108.8 51.4 -57.0 -45.6 30.5 36.4 34.8 290 293 A Q H X S+ 0 0 58 -4,-1.5 4,-2.2 1,-0.2 -1,-0.2 0.894 108.0 50.7 -58.5 -46.5 33.0 37.5 32.1 291 294 A M H X S+ 0 0 0 -4,-2.0 4,-2.7 1,-0.2 -1,-0.2 0.901 107.1 54.7 -60.3 -42.8 31.5 41.0 31.8 292 295 A R H < S+ 0 0 32 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.877 113.8 41.2 -59.6 -38.2 31.6 41.4 35.6 293 296 A Q H < S+ 0 0 129 -4,-1.6 -1,-0.2 -5,-0.2 -2,-0.2 0.791 118.0 46.6 -80.9 -28.2 35.4 40.7 35.5 294 297 A R H < S+ 0 0 92 -4,-2.2 2,-0.5 1,-0.2 -2,-0.2 0.760 116.1 43.5 -85.3 -26.8 36.1 42.7 32.4 295 298 A F < - 0 0 1 -4,-2.7 -1,-0.2 -5,-0.2 -36,-0.1 -0.957 58.8-176.1-124.6 114.4 34.2 45.8 33.4 296 299 A K + 0 0 146 -2,-0.5 3,-0.1 -3,-0.1 -1,-0.1 0.633 62.0 80.8 -83.0 -15.6 34.5 47.1 36.9 297 300 A G S S- 0 0 26 1,-0.2 -29,-0.2 -31,-0.0 2,-0.2 0.170 98.6 -43.1 -74.7-160.1 32.0 49.9 36.6 298 301 A G E -i 268 0B 8 -31,-2.7 -29,-2.5 -32,-0.3 2,-0.6 -0.451 50.4-157.3 -73.9 135.4 28.2 49.6 36.8 299 302 A L E -i 269 0B 0 -31,-0.2 21,-3.0 -2,-0.2 22,-1.5 -0.939 11.7-178.2-117.1 115.2 26.4 46.8 35.1 300 303 A I E -ij 270 321B 5 -31,-2.9 -29,-3.1 -2,-0.6 2,-0.3 -0.923 3.0-170.7-113.9 135.8 22.7 47.2 34.2 301 304 A Y E -ij 271 322B 0 20,-1.3 22,-2.1 -2,-0.4 2,-0.3 -0.933 3.5-174.8-125.0 150.4 20.6 44.5 32.5 302 305 A C E +ij 272 323B 7 -31,-1.8 -29,-2.3 -2,-0.3 22,-0.1 -0.977 28.0 94.5-143.9 153.8 17.1 44.8 31.0 303 306 A G S S- 0 0 15 20,-0.6 -27,-0.1 -2,-0.3 -28,-0.1 0.395 90.8 -13.7 126.1 101.9 14.5 42.5 29.5 304 307 A N S S+ 0 0 45 1,-0.2 2,-0.3 -29,-0.1 20,-0.1 0.818 86.7 161.3 56.1 35.4 11.5 40.7 30.8 305 308 A Y - 0 0 14 18,-0.2 2,-0.2 4,-0.1 -1,-0.2 -0.626 20.5-175.6 -91.7 143.9 12.6 41.2 34.4 306 309 A D > - 0 0 62 -2,-0.3 4,-1.9 1,-0.1 5,-0.2 -0.671 45.8 -89.7-121.4-179.4 10.5 41.0 37.5 307 310 A A H > S+ 0 0 31 -2,-0.2 4,-2.2 1,-0.2 5,-0.2 0.947 123.6 46.7 -58.0 -50.3 11.3 41.7 41.1 308 311 A G H > S+ 0 0 48 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.907 114.1 43.6 -61.8 -47.2 12.5 38.1 41.8 309 312 A R H > S+ 0 0 113 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.843 111.6 56.6 -69.7 -29.7 14.7 37.6 38.8 310 313 A A H X S+ 0 0 0 -4,-1.9 4,-1.5 1,-0.2 3,-0.2 0.954 106.4 48.5 -63.9 -48.4 16.2 41.1 39.2 311 314 A Q H X S+ 0 0 49 -4,-2.2 4,-2.7 1,-0.2 -1,-0.2 0.843 105.2 61.1 -59.5 -35.4 17.3 40.2 42.8 312 315 A A H X S+ 0 0 38 -4,-1.5 4,-2.9 1,-0.2 -1,-0.2 0.935 102.8 48.9 -58.3 -48.1 18.8 37.0 41.5 313 316 A R H <>S+ 0 0 63 -4,-1.6 5,-2.2 -3,-0.2 6,-1.0 0.850 110.7 51.9 -62.1 -34.4 21.2 38.9 39.2 314 317 A L H ><5S+ 0 0 1 -4,-1.5 3,-0.8 3,-0.2 -1,-0.2 0.929 112.0 45.8 -66.7 -43.1 22.1 41.1 42.2 315 318 A D H 3<5S+ 0 0 77 -4,-2.7 -2,-0.2 1,-0.2 -1,-0.2 0.868 109.1 54.3 -66.4 -38.0 22.8 38.0 44.3 316 319 A D T 3<5S- 0 0 89 -4,-2.9 -1,-0.2 -5,-0.2 -2,-0.2 0.590 108.5-129.2 -70.7 -9.9 24.8 36.3 41.5 317 320 A N T < 5S+ 0 0 58 -3,-0.8 -3,-0.2 -4,-0.4 -2,-0.1 0.886 78.8 115.2 61.1 40.6 26.9 39.5 41.4 318 321 A T S > S+ 0 0 12 -2,-0.4 3,-1.2 -300,-0.2 4,-1.1 0.842 74.2 25.1 -94.9 -86.1 10.7 49.1 30.4 326 329 A R H >> S+ 0 0 114 1,-0.3 4,-2.1 2,-0.2 3,-1.1 0.879 120.1 56.8 -50.3 -45.9 7.1 48.1 29.9 327 330 A P H 3> S+ 0 0 34 0, 0.0 4,-1.3 0, 0.0 -1,-0.3 0.847 107.2 50.2 -57.9 -31.7 6.4 47.6 33.6 328 331 A F H <4 S+ 0 0 0 -3,-1.2 -2,-0.2 2,-0.2 6,-0.1 0.690 105.7 57.8 -78.9 -17.6 7.6 51.3 34.2 329 332 A I H << S+ 0 0 4 -3,-1.1 -1,-0.2 -4,-1.1 34,-0.2 0.937 116.1 33.2 -73.8 -45.6 5.2 52.4 31.5 330 333 A A H < S+ 0 0 0 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.616 123.3 47.0 -85.6 -13.1 2.2 50.9 33.3 331 334 A N >< - 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0 0 17 -34,-0.2 -32,-0.0 -3,-0.1 2,-0.0 -0.716 69.5-121.0 -80.2 123.8 -1.6 54.8 34.8 364 367 A P - 0 0 78 0, 0.0 -31,-0.2 0, 0.0 2,-0.2 -0.256 14.3-130.8 -68.2 149.2 -2.6 54.9 38.5 365 368 A F - 0 0 101 1,-0.1 2,-0.1 -33,-0.1 -31,-0.0 -0.478 41.2 -83.6 -87.8 166.5 -0.3 55.0 41.5 366 369 A L - 0 0 52 -2,-0.2 2,-0.7 -33,-0.1 -1,-0.1 -0.371 38.1-133.8 -67.6 150.1 -0.7 52.6 44.4 367 370 A D - 0 0 132 1,-0.1 -1,-0.1 -3,-0.1 0, 0.0 -0.884 21.9-178.5-111.4 101.9 -3.2 53.8 47.0 368 371 A N - 0 0 86 -2,-0.7 -1,-0.1 1,-0.1 -2,-0.0 0.447 48.8-113.8 -78.7 1.5 -1.8 53.4 50.5 369 372 A G S S+ 0 0 57 2,-0.1 -1,-0.1 1,-0.1 -2,-0.1 0.447 105.8 66.2 81.9 -0.3 -5.0 54.7 52.1 370 373 A H S S+ 0 0 140 2,-0.0 -1,-0.1 0, 0.0 -3,-0.0 0.723 71.9 91.5-117.8 -45.3 -3.1 57.8 53.4 371 374 A D - 0 0 115 2,-0.0 2,-0.4 1,-0.0 -2,-0.1 -0.235 54.5-168.1 -58.2 143.9 -2.1 59.9 50.4 372 375 A R - 0 0 208 2,-0.0 -1,-0.0 1,-0.0 -2,-0.0 -0.992 23.5-155.6-136.2 141.0 -4.5 62.6 49.3 373 376 A L 0 0 187 -2,-0.4 -2,-0.0 1,-0.1 -1,-0.0 0.019 360.0 360.0-104.2 27.3 -4.5 64.6 46.1 374 377 A G 0 0 123 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 -0.179 360.0 360.0 -64.0 360.0 -6.5 67.5 47.6