==== 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 02-APR-09 3GX9 . COMPND 2 MOLECULE: MORPHINONE REDUCTASE; . SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOMONAS PUTIDA; . AUTHOR P.LAFITE,N.S.SCRUTTON,D.LEYS . 364 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14623.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 231 63.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 46 12.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 10 2.7 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 . 1 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 . 23 6.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 39 10.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 93 25.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 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 1 1 1 1 1 2 0 0 0 0 2 0 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 3 1 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 . 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 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 8 A N 0 0 194 0, 0.0 306,-0.1 0, 0.0 305,-0.1 0.000 360.0 360.0 360.0 60.0 24.0 42.3 49.9 2 9 A P - 0 0 35 0, 0.0 2,-0.2 0, 0.0 6,-0.0 -0.297 360.0-156.6 -69.5 142.2 22.0 45.2 48.3 3 10 A G > - 0 0 22 303,-0.1 3,-1.4 4,-0.1 15,-0.0 -0.479 40.4 -91.5 -99.6-173.9 18.3 45.2 48.0 4 11 A L T 3 S+ 0 0 10 1,-0.3 14,-3.7 -2,-0.2 15,-0.4 0.681 127.9 48.9 -72.9 -14.6 16.2 47.1 45.5 5 12 A F T 3 S+ 0 0 86 12,-0.3 -1,-0.3 13,-0.1 3,-0.0 0.017 81.7 113.1-116.8 21.1 15.9 50.0 48.0 6 13 A T S < S- 0 0 55 -3,-1.4 9,-0.0 1,-0.0 11,-0.0 -0.858 74.4-115.7 -94.4 122.6 19.6 50.2 48.8 7 14 A P - 0 0 87 0, 0.0 2,-0.4 0, 0.0 11,-0.1 -0.249 31.4-154.9 -55.1 152.1 21.1 53.5 47.5 8 15 A L E -A 15 0A 18 7,-1.4 7,-3.2 9,-0.2 2,-0.8 -0.998 16.9-135.0-134.3 134.7 23.7 53.1 44.8 9 16 A Q E -A 14 0A 119 -2,-0.4 2,-0.8 5,-0.2 5,-0.2 -0.834 24.7-169.8 -83.0 104.2 26.5 55.4 43.8 10 17 A L E > -A 13 0A 1 3,-3.3 3,-2.2 -2,-0.8 2,-0.2 -0.887 64.7 -51.7-102.8 100.5 26.2 55.4 39.9 11 18 A G T 3 S- 0 0 31 -2,-0.8 216,-0.2 252,-0.5 215,-0.1 -0.527 120.9 -26.7 63.5-128.8 29.3 57.2 38.8 12 19 A S T 3 S+ 0 0 49 214,-2.0 2,-0.5 -2,-0.2 -1,-0.3 0.178 122.0 99.5 -95.2 16.1 29.3 60.4 40.8 13 20 A L E < -A 10 0A 12 -3,-2.2 -3,-3.3 213,-0.3 2,-0.5 -0.912 66.8-139.8-105.9 125.2 25.5 60.3 41.1 14 21 A S E -A 9 0A 73 -2,-0.5 -5,-0.2 -5,-0.2 -2,-0.1 -0.719 18.2-164.4 -77.7 123.3 23.7 59.1 44.3 15 22 A L E -A 8 0A 3 -7,-3.2 -7,-1.4 -2,-0.5 34,-0.1 -0.853 16.6-146.7-105.6 143.0 20.6 57.0 43.5 16 23 A P S S+ 0 0 59 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.707 78.4 2.0 -79.6 -21.2 18.0 56.3 46.2 17 24 A N - 0 0 16 -9,-0.1 -12,-0.3 2,-0.1 -9,-0.2 -0.921 67.6-113.8-159.2 174.6 17.1 52.9 44.9 18 25 A R S S+ 0 0 21 -14,-3.7 296,-2.4 -2,-0.3 2,-0.9 0.184 78.5 106.5-112.7 18.7 17.9 50.3 42.2 19 26 A V E -b 314 0B 0 -15,-0.4 30,-2.0 28,-0.2 31,-0.4 -0.835 55.1-169.5-101.7 99.0 14.7 50.4 40.4 20 27 A I E -b 315 0B 0 294,-2.1 296,-2.5 -2,-0.9 2,-0.7 -0.633 23.0-126.8 -94.5 144.0 15.5 52.3 37.2 21 28 A M E -bc 316 51B 1 29,-2.7 31,-2.5 -2,-0.3 296,-0.2 -0.842 31.2-134.5 -89.3 113.3 13.1 53.7 34.6 22 29 A A - 0 0 3 294,-2.1 2,-0.2 -2,-0.7 32,-0.0 -0.229 31.3 -88.5 -60.1 149.5 14.1 52.4 31.1 23 30 A P - 0 0 15 0, 0.0 2,-0.4 0, 0.0 31,-0.2 -0.440 51.2-172.3 -57.0 128.5 14.3 54.7 28.1 24 31 A L - 0 0 25 28,-0.4 30,-0.3 -2,-0.2 2,-0.2 -0.886 20.2-146.2-137.1 101.5 10.7 54.7 26.5 25 32 A T + 0 0 40 -2,-0.4 43,-0.1 1,-0.2 31,-0.1 -0.507 27.5 165.8 -54.7 125.2 9.9 56.3 23.2 26 33 A R - 0 0 1 -2,-0.2 320,-1.7 41,-0.1 -1,-0.2 0.385 35.0-140.0-125.6 -6.9 6.3 57.5 23.6 27 34 A S + 0 0 9 318,-0.2 41,-0.2 1,-0.1 320,-0.1 0.888 55.1 135.8 46.4 55.3 6.0 59.9 20.7 28 35 A R + 0 0 11 318,-0.1 40,-0.2 1,-0.1 -1,-0.1 0.089 46.1 85.6-113.8 15.9 4.0 62.6 22.5 29 36 A T > + 0 0 2 38,-2.6 3,-3.2 1,-0.2 38,-0.2 -0.565 48.3 174.2-117.3 73.7 5.9 65.6 21.2 30 37 A P T 3 S+ 0 0 91 0, 0.0 37,-0.4 0, 0.0 -1,-0.2 0.802 88.0 37.9 -44.6 -40.8 4.4 66.5 17.8 31 38 A D T 3 S- 0 0 113 2,-0.2 37,-0.0 36,-0.1 -2,-0.0 0.321 113.8-118.0 -95.0 8.3 6.6 69.6 17.4 32 39 A S S < S+ 0 0 14 -3,-3.2 38,-2.0 1,-0.2 -3,-0.1 0.537 81.0 116.2 66.9 12.7 9.6 67.7 19.0 33 40 A V - 0 0 42 36,-0.2 -2,-0.2 46,-0.1 -1,-0.2 -0.928 66.4-128.3-110.6 119.3 9.6 70.2 21.9 34 41 A P + 0 0 3 0, 0.0 2,-0.2 0, 0.0 48,-0.2 -0.422 37.1 173.2 -69.7 146.9 8.9 68.8 25.4 35 42 A G >> - 0 0 25 -2,-0.1 4,-2.0 47,-0.1 3,-1.7 -0.633 48.4 -56.1-136.4-164.3 6.2 70.6 27.4 36 43 A R H 3> S+ 0 0 172 1,-0.3 4,-2.0 2,-0.2 5,-0.1 0.769 126.2 60.7 -50.6 -32.2 4.1 70.7 30.4 37 44 A L H 3> S+ 0 0 46 2,-0.2 4,-2.4 1,-0.2 -1,-0.3 0.874 106.2 46.1 -67.6 -35.2 2.7 67.2 29.6 38 45 A Q H <> S+ 0 0 7 -3,-1.7 4,-3.1 2,-0.2 5,-0.5 0.929 107.8 58.2 -66.6 -43.4 6.3 65.8 29.8 39 46 A Q H X S+ 0 0 63 -4,-2.0 4,-1.9 1,-0.2 -2,-0.2 0.891 112.4 41.9 -49.6 -44.8 6.8 67.7 33.1 40 47 A I H X S+ 0 0 60 -4,-2.0 4,-2.2 -5,-0.2 -1,-0.2 0.935 114.0 49.3 -68.0 -50.6 3.9 65.8 34.4 41 48 A Y H X S+ 0 0 0 -4,-2.4 4,-0.7 2,-0.2 -2,-0.2 0.925 119.1 37.3 -60.4 -46.7 4.7 62.4 32.9 42 49 A Y H >< S+ 0 0 0 -4,-3.1 3,-0.7 1,-0.2 -1,-0.2 0.898 113.4 57.7 -75.3 -36.3 8.3 62.4 34.2 43 50 A G H >< S+ 0 0 5 -4,-1.9 3,-1.4 -5,-0.5 -2,-0.2 0.852 101.8 56.1 -52.6 -38.9 7.4 64.1 37.5 44 51 A Q H 3< S+ 0 0 37 -4,-2.2 3,-0.3 1,-0.3 -1,-0.2 0.814 111.4 43.6 -69.3 -27.0 5.0 61.3 38.2 45 52 A R T X< S+ 0 0 0 -4,-0.7 3,-1.9 -3,-0.7 -1,-0.3 0.247 77.4 115.5 -99.7 11.4 7.8 58.8 37.8 46 53 A A T < + 0 0 4 -3,-1.4 47,-0.2 1,-0.3 -1,-0.2 0.665 61.1 74.7 -55.5 -20.7 10.4 60.9 39.8 47 54 A S T 3 S+ 0 0 56 277,-0.3 -1,-0.3 -3,-0.3 -28,-0.2 0.582 71.3 114.2 -66.6 -12.3 10.7 58.1 42.6 48 55 A A S < S- 0 0 1 -3,-1.9 45,-0.4 276,-0.1 3,-0.2 -0.403 80.4-122.9 -60.3 138.5 12.8 56.0 40.1 49 56 A G S S- 0 0 0 -30,-2.0 2,-0.3 1,-0.3 -29,-0.2 0.881 98.7 -7.3 -46.9 -46.1 16.4 55.5 41.2 50 57 A L S S- 0 0 0 -31,-0.4 -29,-2.7 -35,-0.1 2,-0.5 -0.961 70.5-141.6-144.8 140.2 17.2 57.1 37.9 51 58 A I E -cd 21 94B 0 42,-2.6 44,-2.8 -2,-0.3 2,-0.5 -0.929 11.1-160.4 -95.4 130.3 14.9 58.0 35.0 52 59 A I E - d 0 95B 0 -31,-2.5 -28,-0.4 -2,-0.5 44,-0.2 -0.936 25.5-127.9-106.3 125.6 16.4 57.4 31.5 53 60 A S E - 0 0 0 42,-2.6 3,-0.1 -2,-0.5 -28,-0.1 -0.187 28.8 -83.3 -71.7 162.3 14.5 59.6 29.0 54 61 A E E - 0 0 2 -30,-0.3 43,-0.5 -31,-0.2 -1,-0.2 -0.301 69.4 -78.5 -48.9 144.9 12.8 58.5 25.8 55 62 A A E - d 0 97B 2 41,-0.1 2,-0.5 -3,-0.1 43,-0.2 -0.297 54.6-153.2 -48.3 126.4 15.4 58.4 23.0 56 63 A T E - d 0 98B 0 41,-3.0 43,-2.6 -3,-0.1 14,-0.2 -0.939 13.5-119.6-117.7 126.9 16.0 62.0 21.9 57 64 A N E -ed 70 99B 0 12,-2.1 14,-1.7 -2,-0.5 43,-0.2 -0.392 13.6-158.6 -65.3 125.6 17.2 62.9 18.3 58 65 A I S S+ 0 0 4 41,-2.3 -1,-0.1 -2,-0.2 42,-0.1 0.669 73.9 5.5 -78.5 -17.3 20.5 64.8 18.4 59 66 A S S > S- 0 0 7 40,-0.3 3,-1.6 1,-0.1 4,-0.5 -0.984 79.8 -97.8-156.4 160.0 19.8 66.3 14.9 60 67 A P G > S+ 0 0 50 0, 0.0 3,-1.1 0, 0.0 -1,-0.1 0.921 126.3 47.1 -48.9 -45.1 17.2 66.7 12.1 61 68 A T G 3 S+ 0 0 35 1,-0.2 56,-0.3 49,-0.1 41,-0.2 0.554 97.7 74.0 -76.8 -5.0 18.9 63.8 10.1 62 69 A A G < S+ 0 0 0 -3,-1.6 39,-3.1 38,-0.1 -1,-0.2 0.641 78.8 104.8 -78.0 -16.1 19.0 61.7 13.4 63 70 A R < + 0 0 57 -3,-1.1 43,-0.3 -4,-0.5 3,-0.1 -0.431 26.1 153.7 -82.2 133.2 15.3 61.0 13.2 64 71 A G S S+ 0 0 0 1,-0.2 66,-1.3 -2,-0.2 2,-0.4 0.468 72.5 53.8-120.1 -13.8 13.5 57.9 12.1 65 72 A Y B > S-k 130 0C 30 64,-0.2 3,-0.8 44,-0.1 -1,-0.2 -0.980 75.5-136.1-132.9 120.5 10.3 58.4 14.1 66 73 A V T 3 S+ 0 0 6 64,-1.9 -35,-0.1 -2,-0.4 -37,-0.1 -0.377 86.3 35.2 -76.2 157.2 8.0 61.5 14.0 67 74 A Y T 3 S+ 0 0 46 -37,-0.4 -38,-2.6 1,-0.3 -1,-0.2 0.494 88.6 122.2 74.6 12.9 6.5 63.1 17.2 68 75 A T < - 0 0 2 -3,-0.8 -1,-0.3 -41,-0.2 -12,-0.1 -0.793 64.2-108.5-104.3 148.7 9.7 62.2 19.1 69 76 A P - 0 0 0 0, 0.0 -12,-2.1 0, 0.0 2,-0.2 -0.188 27.3-150.4 -84.2 166.4 11.7 65.0 20.8 70 77 A G B -e 57 0B 0 -38,-2.0 -12,-0.2 -14,-0.2 -14,-0.0 -0.711 18.3-157.5-125.0 175.0 15.0 66.6 19.9 71 78 A I S S+ 0 0 0 -14,-1.7 96,-0.2 -2,-0.2 97,-0.1 -0.119 72.9 90.0-147.0 41.6 17.9 68.3 21.6 72 79 A W S S+ 0 0 74 -15,-0.1 2,-0.2 95,-0.1 -14,-0.1 0.553 77.7 61.2-114.1 -12.5 19.4 70.3 18.7 73 80 A T S > S- 0 0 47 1,-0.1 4,-1.9 -14,-0.0 5,-0.1 -0.711 80.2-118.4-114.1 165.1 17.4 73.7 18.9 74 81 A D H > S+ 0 0 116 -2,-0.2 4,-2.3 2,-0.2 5,-0.2 0.881 115.4 51.7 -66.6 -40.5 17.1 76.4 21.6 75 82 A A H > S+ 0 0 61 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.901 109.2 49.9 -66.9 -40.1 13.3 75.8 21.9 76 83 A Q H > S+ 0 0 3 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.923 109.5 51.9 -58.0 -46.4 13.9 72.0 22.5 77 84 A E H X S+ 0 0 22 -4,-1.9 4,-2.8 1,-0.2 -2,-0.2 0.949 109.9 48.9 -60.0 -47.4 16.5 72.8 25.2 78 85 A A H X S+ 0 0 64 -4,-2.3 4,-1.8 2,-0.2 -1,-0.2 0.834 110.4 50.8 -60.9 -35.7 14.1 75.1 27.0 79 86 A G H X S+ 0 0 11 -4,-1.8 4,-2.0 2,-0.2 -1,-0.2 0.952 112.3 46.7 -66.5 -42.5 11.3 72.5 26.9 80 87 A W H X S+ 0 0 0 -4,-2.5 4,-3.5 1,-0.2 5,-0.3 0.899 107.1 57.2 -65.1 -39.0 13.7 69.9 28.3 81 88 A K H X S+ 0 0 110 -4,-2.8 4,-2.2 1,-0.2 -1,-0.2 0.922 105.5 51.7 -59.1 -43.1 14.9 72.3 31.0 82 89 A G H X S+ 0 0 16 -4,-1.8 4,-1.8 2,-0.2 -1,-0.2 0.929 113.0 45.2 -56.6 -44.8 11.2 72.6 32.1 83 90 A V H X S+ 0 0 0 -4,-2.0 4,-2.4 1,-0.2 -2,-0.2 0.950 112.5 50.1 -63.9 -47.9 11.0 68.8 32.3 84 91 A V H X S+ 0 0 2 -4,-3.5 4,-2.3 1,-0.2 -1,-0.2 0.857 110.0 51.1 -61.3 -34.5 14.3 68.5 34.1 85 92 A E H X S+ 0 0 124 -4,-2.2 4,-3.3 -5,-0.3 -1,-0.2 0.926 109.5 50.0 -72.1 -37.6 13.3 71.1 36.7 86 93 A A H X S+ 0 0 19 -4,-1.8 4,-1.0 2,-0.2 -2,-0.2 0.871 108.9 51.2 -69.8 -37.9 10.0 69.3 37.3 87 94 A V H <>S+ 0 0 0 -4,-2.4 5,-2.5 2,-0.2 3,-0.5 0.939 113.3 47.4 -60.3 -45.0 11.9 66.0 37.8 88 95 A H H ><5S+ 0 0 72 -4,-2.3 3,-2.1 1,-0.2 -2,-0.2 0.937 106.7 54.7 -63.1 -45.0 14.2 67.8 40.3 89 96 A A H 3<5S+ 0 0 90 -4,-3.3 -1,-0.2 1,-0.3 -2,-0.2 0.752 109.5 49.7 -64.0 -19.8 11.3 69.5 42.2 90 97 A K T 3<5S- 0 0 147 -4,-1.0 -1,-0.3 -3,-0.5 -2,-0.2 0.287 125.0-105.2 -99.8 10.5 9.8 65.9 42.7 91 98 A G T < 5S+ 0 0 51 -3,-2.1 -3,-0.2 1,-0.2 -2,-0.1 0.577 75.7 124.3 87.4 16.0 13.2 64.6 44.0 92 99 A G < - 0 0 5 -5,-2.5 2,-0.3 -6,-0.1 -1,-0.2 -0.351 51.6-133.3-104.6-179.4 14.4 62.5 40.9 93 100 A R - 0 0 32 -45,-0.4 -42,-2.6 -47,-0.2 2,-0.4 -0.964 21.4-166.5-133.7 143.5 17.4 62.3 38.6 94 101 A I E -d 51 0B 0 -2,-0.3 80,-1.4 -44,-0.2 81,-1.2 -0.996 8.7-158.4-140.8 140.1 17.1 62.0 34.8 95 102 A A E -df 52 175B 0 -44,-2.8 -42,-2.6 -2,-0.4 2,-0.5 -0.949 21.3-128.4-118.5 137.4 19.5 61.1 32.1 96 103 A L E - f 0 176B 0 79,-2.1 81,-3.0 -2,-0.4 2,-0.7 -0.740 16.5-140.7 -86.8 126.1 19.0 62.2 28.5 97 104 A Q E -df 55 177B 4 -43,-0.5 -41,-3.0 -2,-0.5 2,-0.5 -0.796 16.2-144.0 -87.5 116.0 19.3 59.3 26.0 98 105 A L E -df 56 178B 0 79,-2.9 81,-1.9 -2,-0.7 2,-0.4 -0.704 22.6-167.3 -89.4 120.3 21.1 60.5 22.9 99 106 A W E +d 57 0B 10 -43,-2.6 -41,-2.3 -2,-0.5 2,-0.4 -0.910 28.4 168.1-121.4 130.8 19.7 59.0 19.6 100 107 A H - 0 0 1 -2,-0.4 85,-2.5 79,-0.3 -37,-0.2 -0.980 19.1-159.8-128.6 122.4 20.8 58.8 16.0 101 108 A V > - 0 0 0 -39,-3.1 3,-1.7 -2,-0.4 2,-0.2 0.728 19.3-173.4 -75.3 -22.1 18.6 56.3 14.0 102 109 A G T 3 S- 0 0 0 1,-0.3 15,-0.4 -40,-0.2 -1,-0.2 -0.478 71.0 -2.7 66.1-128.7 21.1 55.8 11.2 103 110 A R T 3 S+ 0 0 10 -2,-0.2 2,-1.6 1,-0.2 21,-0.4 0.467 111.7 92.0 -79.8 -3.3 19.6 53.6 8.5 104 111 A V S < S+ 0 0 1 -3,-1.7 2,-0.2 39,-0.1 -1,-0.2 -0.520 79.3 78.9 -89.1 68.6 16.3 53.1 10.4 105 112 A S - 0 0 0 -2,-1.6 39,-1.7 39,-0.3 2,-0.3 -0.860 64.9-139.5-157.4-174.3 14.8 56.1 8.7 106 113 A H >> - 0 0 32 -43,-0.3 4,-2.4 -2,-0.2 3,-1.4 -0.981 31.6-109.0-160.7 146.3 13.2 57.3 5.4 107 114 A E T 34 S+ 0 0 56 -2,-0.3 6,-0.4 1,-0.2 7,-0.1 0.849 115.0 64.2 -48.2 -39.3 13.3 60.3 3.1 108 115 A L T 34 S+ 0 0 70 1,-0.2 -1,-0.2 5,-0.1 24,-0.1 0.807 111.9 33.9 -56.5 -35.0 9.7 61.2 4.3 109 116 A V T <4 S+ 0 0 5 -3,-1.4 -2,-0.2 5,-0.1 -1,-0.2 0.765 103.1 91.2 -91.8 -31.6 10.9 61.8 7.9 110 117 A Q S >< S- 0 0 12 -4,-2.4 3,-0.9 4,-0.2 2,-0.3 -0.149 90.3-100.7 -53.6 153.0 14.3 63.2 6.9 111 118 A P G > S+ 0 0 36 0, 0.0 3,-1.8 0, 0.0 -1,-0.1 -0.665 103.1 3.0 -84.0 140.6 14.6 67.0 6.3 112 119 A D G 3 S- 0 0 155 -2,-0.3 -4,-0.1 1,-0.3 -2,-0.1 0.784 125.3 -75.4 49.8 28.2 14.4 68.2 2.7 113 120 A G G < S+ 0 0 44 -3,-0.9 -1,-0.3 -6,-0.4 -6,-0.1 0.608 80.0 172.9 72.4 18.0 14.0 64.5 1.7 114 121 A Q < - 0 0 88 -3,-1.8 -4,-0.2 -7,-0.1 -1,-0.2 -0.063 37.1-101.2 -56.7 150.3 17.6 63.6 2.4 115 122 A Q - 0 0 80 1,-0.1 -1,-0.1 -5,-0.0 32,-0.1 -0.533 41.0-105.1 -71.7 140.6 18.8 60.0 2.2 116 123 A P - 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0 0 43 -3,-1.3 -3,-0.2 -4,-0.4 -1,-0.1 0.740 42.0-177.1 70.4 24.6 35.8 55.4 34.1 262 269 A L < - 0 0 6 -5,-1.8 -36,-0.2 1,-0.1 28,-0.2 -0.169 31.6-127.8 -51.6 141.2 32.2 55.4 32.6 263 270 A A S S- 0 0 2 -38,-1.8 27,-2.8 -35,-1.2 -252,-0.5 0.917 76.0 -20.3 -58.5 -45.2 29.4 55.5 35.1 264 271 A Y E -hi 229 290B 0 -36,-1.0 -34,-1.0 25,-0.2 2,-0.4 -0.996 42.0-133.3-160.9 162.1 27.6 52.4 33.7 265 272 A L E -hi 230 291B 0 25,-2.3 27,-2.3 -2,-0.3 2,-0.5 -0.947 26.0-158.8-114.8 140.6 26.9 50.0 31.0 266 273 A H E -hi 231 292B 0 -36,-2.5 -34,-2.6 -2,-0.4 2,-0.4 -0.973 5.7-162.1-125.5 113.9 23.2 49.3 30.4 267 274 A F E -hi 232 293B 1 25,-2.8 27,-1.7 -2,-0.5 2,-0.7 -0.795 12.1-153.0-100.0 129.0 22.2 46.0 28.6 268 275 A N E - i 0 294B 44 -36,-1.6 27,-0.2 -2,-0.4 -32,-0.1 -0.932 37.7-123.9 -97.0 117.2 18.8 45.4 27.1 269 276 A E - 0 0 26 25,-3.6 -34,-0.1 -2,-0.7 27,-0.1 -0.162 3.0-119.1 -72.0 155.3 18.6 41.6 27.3 270 277 A P 0 0 24 0, 0.0 4,-0.1 0, 0.0 -1,-0.1 0.834 360.0 360.0 -54.0 -45.4 18.0 38.9 24.7 271 278 A D 0 0 124 24,-0.1 24,-0.1 2,-0.0 25,-0.1 0.929 360.0 360.0 -78.7 360.0 14.7 37.3 25.7 272 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 273 284 A I 0 0 93 0, 0.0 -2,-0.0 0, 0.0 -36,-0.0 0.000 360.0 360.0 360.0 78.8 19.0 34.0 21.1 274 285 A T - 0 0 117 1,-0.1 -39,-0.0 -4,-0.1 -5,-0.0 -0.079 360.0 -88.5 -75.6 160.5 20.1 33.9 24.8 275 286 A Y - 0 0 24 1,-0.1 -1,-0.1 -41,-0.0 3,-0.1 -0.336 44.5-109.2 -65.4 144.0 23.4 34.9 26.6 276 287 A P > - 0 0 47 0, 0.0 3,-1.8 0, 0.0 4,-0.4 -0.406 41.2 -97.0 -70.0 152.2 26.2 32.4 27.0 277 288 A E T 3 S+ 0 0 197 1,-0.3 0, 0.0 2,-0.1 0, 0.0 -0.397 115.6 30.5 -64.1 145.9 26.8 31.0 30.5 278 289 A G T 3> S+ 0 0 34 -3,-0.1 4,-2.5 -2,-0.1 -1,-0.3 0.217 88.7 107.8 87.9 -24.1 29.6 33.0 32.0 279 290 A F H <> S+ 0 0 0 -3,-1.8 4,-2.2 1,-0.2 5,-0.2 0.957 81.5 44.1 -56.0 -48.1 28.7 36.1 30.0 280 291 A R H > S+ 0 0 29 -4,-0.4 4,-2.2 1,-0.2 -1,-0.2 0.898 114.2 49.3 -65.1 -42.6 27.3 38.0 33.1 281 292 A E H > S+ 0 0 98 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.867 110.9 50.9 -63.1 -38.9 30.2 37.0 35.4 282 293 A Q H X S+ 0 0 62 -4,-2.5 4,-2.9 2,-0.2 -2,-0.2 0.920 108.4 50.9 -63.4 -45.8 32.7 38.1 32.7 283 294 A M H X S+ 0 0 0 -4,-2.2 4,-2.5 1,-0.2 -2,-0.2 0.932 107.5 53.6 -57.7 -48.3 31.1 41.5 32.3 284 295 A R H < S+ 0 0 17 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.895 113.3 43.9 -53.9 -37.6 31.2 42.0 36.1 285 296 A Q H < S+ 0 0 137 -4,-1.5 -2,-0.2 1,-0.2 -1,-0.2 0.915 116.8 44.6 -78.4 -40.7 35.0 41.3 36.0 286 297 A R H < S+ 0 0 93 -4,-2.9 2,-0.5 1,-0.2 -2,-0.2 0.757 115.7 46.1 -74.7 -26.4 35.8 43.4 33.0 287 298 A F < - 0 0 0 -4,-2.5 -1,-0.2 -5,-0.2 -32,-0.1 -0.971 57.5-175.5-126.7 119.3 33.7 46.5 34.0 288 299 A K + 0 0 131 -2,-0.5 3,-0.1 -3,-0.1 -1,-0.1 0.582 61.6 75.8 -92.2 -12.6 33.9 47.9 37.5 289 300 A G S S- 0 0 27 1,-0.2 -25,-0.2 -27,-0.1 2,-0.2 0.165 99.7 -40.8 -77.2-155.1 31.3 50.6 37.3 290 301 A G E -i 264 0B 7 -27,-2.8 -25,-2.3 -28,-0.2 2,-0.5 -0.463 49.0-159.7 -75.3 133.8 27.5 50.2 37.3 291 302 A L E -i 265 0B 0 -2,-0.2 21,-2.6 -27,-0.2 22,-1.7 -0.979 9.6-175.1-115.9 124.6 25.9 47.4 35.5 292 303 A I E -ij 266 313B 1 -27,-2.3 -25,-2.8 -2,-0.5 2,-0.4 -0.947 3.4-166.8-114.5 133.3 22.2 47.8 34.6 293 304 A Y E -ij 267 314B 0 20,-1.2 22,-2.2 -2,-0.4 2,-0.3 -0.919 4.6-174.2-119.8 152.0 20.2 45.0 33.0 294 305 A C E +ij 268 315B 7 -27,-1.7 -25,-3.6 -2,-0.4 22,-0.1 -1.000 29.9 103.6-143.3 143.8 16.8 45.3 31.4 295 306 A G S S- 0 0 26 20,-0.6 -24,-0.1 -2,-0.3 21,-0.1 0.126 92.2 -25.6 143.1 95.1 14.3 42.8 29.9 296 307 A N S S+ 0 0 102 1,-0.2 2,-0.1 -25,-0.1 20,-0.1 0.732 83.0 166.0 58.7 31.6 11.1 41.5 31.5 297 308 A Y - 0 0 16 18,-0.3 2,-0.3 4,-0.1 -1,-0.2 -0.397 16.4-177.8 -76.0 150.1 12.2 42.0 35.1 298 309 A D > - 0 0 62 -2,-0.1 4,-2.2 18,-0.0 5,-0.2 -0.785 49.1 -82.1-126.0-174.5 10.0 41.8 38.1 299 310 A A H > S+ 0 0 31 -2,-0.3 4,-2.7 1,-0.2 5,-0.1 0.912 125.2 42.6 -56.5 -50.0 10.9 42.4 41.7 300 311 A G H > S+ 0 0 50 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.842 113.9 49.4 -68.7 -39.4 12.3 38.8 42.5 301 312 A R H > S+ 0 0 134 2,-0.2 4,-1.4 1,-0.2 -1,-0.2 0.894 112.1 50.5 -68.1 -33.9 14.2 38.4 39.2 302 313 A A H X S+ 0 0 0 -4,-2.2 4,-1.6 1,-0.2 3,-0.5 0.956 109.1 50.7 -66.5 -49.3 15.8 41.8 39.9 303 314 A Q H X S+ 0 0 52 -4,-2.7 4,-3.1 1,-0.2 5,-0.2 0.890 105.1 58.8 -48.5 -42.9 16.7 40.9 43.4 304 315 A A H X S+ 0 0 41 -4,-2.1 4,-2.1 1,-0.2 -1,-0.2 0.867 103.5 50.7 -63.3 -35.9 18.3 37.7 42.0 305 316 A R H <>S+ 0 0 63 -4,-1.4 5,-2.1 -3,-0.5 6,-1.5 0.842 110.4 48.8 -70.1 -34.3 20.7 39.7 39.8 306 317 A L H ><5S+ 0 0 8 -4,-1.6 3,-1.6 3,-0.2 -2,-0.2 0.945 113.1 48.2 -60.9 -50.1 21.8 41.8 42.8 307 318 A D H 3<5S+ 0 0 97 -4,-3.1 -2,-0.2 1,-0.3 -3,-0.2 0.846 108.5 55.7 -59.5 -35.1 22.3 38.5 44.8 308 319 A D T 3<5S- 0 0 73 -4,-2.1 -1,-0.3 -5,-0.2 -2,-0.2 0.597 105.3-130.0 -65.3 -20.3 24.3 37.1 41.9 309 320 A N T < 5S+ 0 0 106 -3,-1.6 -3,-0.2 -4,-0.3 -2,-0.1 0.849 80.8 110.9 60.4 35.2 26.6 40.0 42.0 310 321 A T S > S+ 0 0 14 -2,-0.4 3,-1.3 -296,-0.2 4,-1.2 0.823 74.6 26.8 -99.7 -86.2 10.2 49.5 30.8 318 329 A R H >> S+ 0 0 124 1,-0.3 4,-1.9 2,-0.2 3,-0.6 0.869 118.3 58.5 -52.9 -41.8 6.6 48.6 30.4 319 330 A P H 3> S+ 0 0 30 0, 0.0 4,-1.3 0, 0.0 -1,-0.3 0.848 107.1 49.2 -60.5 -27.3 6.0 48.3 34.1 320 331 A F H <4 S+ 0 0 0 -3,-1.3 -2,-0.2 2,-0.2 6,-0.1 0.711 105.6 57.3 -80.5 -21.3 7.1 52.0 34.5 321 332 A I H << S+ 0 0 5 -4,-1.2 34,-0.2 -3,-0.6 -1,-0.2 0.951 118.6 32.4 -63.8 -47.2 4.7 53.0 31.7 322 333 A A H < S+ 0 0 0 -4,-1.9 -2,-0.2 1,-0.2 15,-0.2 0.529 122.5 48.9 -88.6 -17.2 1.8 51.5 33.7 323 334 A N >< - 0 0 1 -4,-1.3 3,-1.6 -5,-0.2 -1,-0.2 -0.788 51.2-179.0-130.9 96.3 3.1 52.3 37.2 324 335 A P T 3 S+ 0 0 0 0, 0.0 -277,-0.3 0, 0.0 -276,-0.1 0.793 93.7 43.6 -61.9 -24.2 4.4 55.8 38.1 325 336 A D T >> S+ 0 0 14 31,-0.2 4,-1.7 1,-0.2 3,-0.7 -0.185 73.8 143.0-112.4 43.2 5.2 54.5 41.6 326 337 A L H <> + 0 0 0 -3,-1.6 4,-2.3 1,-0.2 -1,-0.2 0.847 66.4 54.2 -45.9 -51.5 6.7 51.2 40.6 327 338 A P H 3> S+ 0 0 6 0, 0.0 4,-1.8 0, 0.0 -1,-0.2 0.873 109.3 49.7 -60.5 -32.8 9.5 51.1 43.3 328 339 A E H <> S+ 0 0 61 -3,-0.7 4,-2.2 2,-0.2 6,-0.2 0.868 106.7 55.0 -72.2 -34.5 6.9 51.6 46.0 329 340 A R H X>S+ 0 0 8 -4,-1.7 5,-1.9 1,-0.2 4,-1.4 0.915 107.9 50.2 -63.6 -37.9 4.8 48.7 44.5 330 341 A F H <5S+ 0 0 28 -4,-2.3 -2,-0.2 3,-0.2 -1,-0.2 0.908 108.5 52.3 -64.8 -41.4 7.8 46.5 44.7 331 342 A R H <5S+ 0 0 147 -4,-1.8 -2,-0.2 1,-0.2 -1,-0.2 0.893 119.5 34.1 -58.4 -49.3 8.4 47.5 48.4 332 343 A L H <5S- 0 0 99 -4,-2.2 -1,-0.2 -5,-0.1 -2,-0.2 0.621 104.4-124.9 -79.6 -16.0 4.8 46.6 49.3 333 344 A G T <5 + 0 0 68 -4,-1.4 -3,-0.2 1,-0.2 2,-0.1 0.814 52.9 167.7 63.9 33.6 4.4 43.7 46.9 334 345 A A < - 0 0 30 -5,-1.9 -1,-0.2 -6,-0.2 2,-0.1 -0.434 42.5 -95.3 -78.7 151.6 1.4 45.5 45.5 335 346 A A - 0 0 89 -2,-0.1 2,-0.2 -3,-0.1 -1,-0.1 -0.420 41.9-123.4 -64.5 140.8 -0.3 44.4 42.3 336 347 A L - 0 0 72 -2,-0.1 -13,-0.1 1,-0.1 -1,-0.1 -0.603 19.8-110.3 -85.1 145.5 0.9 46.3 39.2 337 348 A N - 0 0 41 -2,-0.2 -15,-0.2 -15,-0.2 -1,-0.1 -0.416 41.5-109.7 -62.2 150.6 -1.4 48.2 36.8 338 349 A E - 0 0 162 -2,-0.1 -1,-0.1 -16,-0.1 2,-0.1 -0.756 28.7-121.7 -88.4 128.1 -1.6 46.5 33.5 339 350 A P - 0 0 30 0, 0.0 3,-0.1 0, 0.0 -21,-0.0 -0.378 14.0-143.2 -65.0 146.6 0.1 48.3 30.5 340 351 A D > - 0 0 74 1,-0.1 3,-2.4 11,-0.1 4,-0.1 -0.877 9.6-166.3-110.5 93.9 -2.1 49.1 27.5 341 352 A P G > S+ 0 0 90 0, 0.0 3,-1.5 0, 0.0 4,-0.3 0.757 81.4 71.9 -50.3 -26.2 0.1 48.6 24.4 342 353 A S G 3 S+ 0 0 99 1,-0.3 3,-0.1 2,-0.1 -2,-0.0 0.632 104.1 38.2 -73.5 -11.2 -2.4 50.5 22.3 343 354 A T G < S+ 0 0 32 -3,-2.4 -1,-0.3 1,-0.1 3,-0.1 0.121 81.2 106.6-121.4 20.4 -1.4 53.8 23.8 344 355 A F S < S+ 0 0 22 -3,-1.5 2,-0.3 -4,-0.1 -2,-0.1 0.897 84.6 38.6 -54.8 -41.3 2.3 53.2 24.1 345 356 A Y S S- 0 0 152 -4,-0.3 -318,-0.2 -3,-0.1 -1,-0.1 -0.920 106.8 -9.9-123.5 139.5 2.9 55.7 21.1 346 357 A G S S+ 0 0 18 -320,-1.7 2,-0.3 -2,-0.3 -318,-0.1 0.022 80.8 80.3 71.9 177.4 1.4 59.0 20.1 347 358 A G S S- 0 0 64 -320,-0.1 -1,-0.1 2,-0.0 2,-0.1 -0.627 73.9 -97.8 87.4-145.3 -1.7 60.8 21.3 348 359 A A S S- 0 0 48 -2,-0.3 5,-0.1 2,-0.2 -319,-0.0 -0.341 77.5 -12.1-147.8-130.8 -1.6 62.9 24.5 349 360 A E S >>>S+ 0 0 106 3,-0.1 4,-1.9 -2,-0.1 3,-1.6 0.693 100.4 95.5 -57.7 -24.9 -2.6 62.3 28.2 350 361 A V T 345S+ 0 0 88 1,-0.3 -2,-0.2 2,-0.2 5,-0.0 -0.513 102.3 5.0 -79.6 132.9 -4.5 59.1 27.8 351 362 A G T 345S+ 0 0 4 -2,-0.2 -1,-0.3 1,-0.1 -11,-0.1 0.714 131.0 66.3 64.6 22.6 -2.3 56.0 28.5 352 363 A Y T <45S+ 0 0 0 -3,-1.6 3,-0.3 -30,-0.0 -2,-0.2 0.560 113.6 8.9-135.0 -70.8 0.4 58.5 29.5 353 364 A T T <5S+ 0 0 26 -4,-1.9 -3,-0.1 1,-0.1 -4,-0.1 0.274 116.5 74.8-103.7 10.1 -0.3 60.5 32.7 354 365 A D < + 0 0 82 -5,-0.6 -1,-0.1 2,-0.1 -4,-0.1 0.357 55.3 106.5-115.0 2.9 -3.4 58.6 33.7 355 366 A Y S S- 0 0 17 -3,-0.3 2,-0.1 -34,-0.2 -32,-0.0 -0.715 73.8-121.4 -75.2 133.7 -2.3 55.3 35.1 356 367 A P - 0 0 79 0, 0.0 -31,-0.2 0, 0.0 -19,-0.2 -0.403 11.1-124.6 -86.0 155.4 -2.9 55.7 38.9 357 368 A F - 0 0 96 1,-0.2 -31,-0.0 -2,-0.1 -34,-0.0 -0.465 44.1 -83.0 -74.1 158.6 -0.6 55.6 42.0 358 369 A L - 0 0 47 -2,-0.1 2,-0.6 -33,-0.1 -1,-0.2 -0.214 38.0-132.9 -48.1 145.1 -1.3 53.3 45.0 359 370 A D - 0 0 134 1,-0.1 -1,-0.1 -3,-0.1 0, 0.0 -0.955 21.4-176.3-107.1 118.4 -3.8 54.7 47.5 360 371 A N - 0 0 83 -2,-0.6 -1,-0.1 3,-0.0 -2,-0.0 0.475 48.6-110.0 -91.9 -1.3 -2.3 54.2 50.9 361 372 A G S S+ 0 0 63 2,-0.2 -2,-0.1 -3,-0.0 3,-0.0 0.384 106.5 60.4 90.6 -0.8 -5.3 55.6 52.6 362 373 A H S S+ 0 0 143 2,-0.0 2,-0.1 0, 0.0 -3,-0.0 0.674 72.1 94.5-127.4 -43.6 -3.7 58.8 53.7 363 374 A D - 0 0 111 1,-0.0 2,-0.4 2,-0.0 -2,-0.2 -0.374 53.8-169.8 -61.1 136.9 -2.4 60.8 50.7 364 375 A R 0 0 222 1,-0.1 -1,-0.0 -2,-0.1 -2,-0.0 -0.985 360.0 360.0-126.5 142.4 -4.9 63.4 49.5 365 376 A L 0 0 223 -2,-0.4 -1,-0.1 0, 0.0 -2,-0.0 0.738 360.0 360.0-104.3 360.0 -5.0 65.5 46.4