==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=5-AUG-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 15-APR-11 3RJ5 . COMPND 2 MOLECULE: ALCOHOL DEHYDROGENASE; . SOURCE 2 ORGANISM_SCIENTIFIC: SCAPTODROSOPHILA LEBANONENSIS; . AUTHOR E.MORGUNOVA,Y.WUXIUER,N.COLS,A.POPOV,I.SYLTE,A.KARSHIKOFF,R. . 504 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 19459.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 373 74.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 75 14.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 8 1.6 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.2 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 . 44 8.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 54 10.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 167 33.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 1.2 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 0 0 2 0 3 1 0 0 4 2 0 0 0 1 0 0 0 0 1 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 1 0 6 2 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 PARALLEL BRIDGES PER LADDER . 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 0 ANTIPARALLEL BRIDGES PER LADDER . 1 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 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 1 A M 0 0 67 0, 0.0 2,-0.7 0, 0.0 227,-0.1 0.000 360.0 360.0 360.0 111.8 64.4 13.1 25.9 2 2 A D - 0 0 106 1,-0.1 224,-0.0 2,-0.1 26,-0.0 -0.863 360.0-159.9 -92.1 116.3 67.9 12.6 24.6 3 3 A L > + 0 0 0 -2,-0.7 3,-1.9 2,-0.1 28,-0.2 0.621 53.3 119.7 -74.0 -12.7 68.0 9.6 22.3 4 4 A T T 3 S+ 0 0 43 1,-0.3 26,-0.3 26,-0.1 -2,-0.1 -0.319 85.4 3.6 -55.1 128.6 71.8 9.3 22.7 5 5 A N T 3 S+ 0 0 102 24,-3.1 -1,-0.3 1,-0.2 25,-0.2 0.545 98.7 140.1 74.0 12.5 72.7 5.9 24.2 6 6 A K < - 0 0 53 -3,-1.9 25,-1.9 23,-0.1 26,-1.2 -0.492 49.4-132.9 -90.5 156.1 69.1 4.6 24.2 7 7 A N E -a 32 0A 5 24,-0.2 79,-2.2 23,-0.2 80,-1.7 -0.942 27.8-172.9-107.5 125.2 67.8 1.1 23.4 8 8 A V E -ab 33 87A 0 24,-2.2 26,-3.6 -2,-0.5 2,-0.5 -0.971 18.3-162.3-126.8 128.9 64.7 1.0 21.1 9 9 A I E -ab 34 88A 0 78,-2.4 80,-2.6 -2,-0.4 2,-0.5 -0.947 14.2-170.4-100.9 131.5 62.4 -1.8 20.0 10 10 A F E > -ab 35 89A 0 24,-2.8 26,-2.3 -2,-0.5 3,-0.8 -0.931 9.3-157.4-128.3 105.4 60.4 -0.8 16.9 11 11 A V E 3 S+ab 36 90A 4 78,-2.8 80,-1.7 -2,-0.5 26,-0.2 -0.738 85.8 11.8 -78.3 124.2 57.6 -3.2 15.8 12 12 A A T > S+ 0 0 17 24,-3.4 3,-0.7 -2,-0.5 -1,-0.2 0.863 79.0 154.0 74.2 43.0 56.9 -2.6 12.0 13 13 A A T < + 0 0 0 -3,-0.8 9,-0.3 23,-0.6 24,-0.1 0.544 60.7 59.6 -76.6 -7.7 60.0 -0.5 11.5 14 14 A L T 3 S+ 0 0 15 4,-0.2 -1,-0.2 22,-0.2 23,-0.1 0.433 80.3 93.8-110.1 0.2 60.3 -1.3 7.7 15 15 A G S <> S- 0 0 41 -3,-0.7 4,-2.9 4,-0.0 5,-0.3 0.007 96.1 -75.0 -74.1-169.5 57.0 -0.0 6.2 16 16 A G H > S+ 0 0 25 1,-0.2 4,-1.2 2,-0.2 5,-0.1 0.952 132.8 26.5 -54.7 -60.0 56.4 3.4 4.6 17 17 A I H > S+ 0 0 32 2,-0.2 4,-2.2 1,-0.2 5,-0.2 0.876 121.7 58.2 -69.8 -39.1 56.2 5.5 7.8 18 18 A G H > S+ 0 0 5 1,-0.2 4,-3.2 2,-0.2 -2,-0.2 0.933 105.2 46.2 -57.8 -53.4 58.4 3.0 9.7 19 19 A L H X S+ 0 0 22 -4,-2.9 4,-2.6 1,-0.2 -1,-0.2 0.892 114.1 47.7 -64.2 -41.4 61.4 3.1 7.4 20 20 A D H X S+ 0 0 13 -4,-1.2 4,-1.3 -5,-0.3 -1,-0.2 0.834 113.8 48.2 -68.1 -33.3 61.5 7.0 7.2 21 21 A T H X S+ 0 0 0 -4,-2.2 4,-2.6 2,-0.2 -2,-0.2 0.918 111.4 50.9 -66.4 -45.3 61.1 7.1 11.0 22 22 A S H X S+ 0 0 0 -4,-3.2 4,-2.4 -9,-0.3 -2,-0.2 0.902 105.2 55.7 -59.0 -43.6 63.9 4.6 11.4 23 23 A R H < S+ 0 0 65 -4,-2.6 4,-0.3 1,-0.2 -1,-0.2 0.900 113.0 42.6 -55.0 -43.2 66.2 6.7 9.1 24 24 A E H >X S+ 0 0 26 -4,-1.3 3,-0.9 2,-0.2 4,-0.6 0.866 110.1 56.5 -71.3 -40.9 65.7 9.6 11.4 25 25 A L H >< S+ 0 0 1 -4,-2.6 3,-1.8 1,-0.2 5,-0.3 0.947 104.7 51.1 -55.4 -52.5 66.0 7.6 14.6 26 26 A V T 3< S+ 0 0 0 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.517 92.0 75.9 -71.6 -5.1 69.4 6.3 13.7 27 27 A K T <4 S+ 0 0 127 -3,-0.9 -1,-0.3 -4,-0.3 2,-0.2 0.830 90.7 68.7 -65.3 -34.5 70.6 9.8 13.0 28 28 A R S << S- 0 0 56 -3,-1.8 2,-2.2 -4,-0.6 27,-0.0 -0.572 107.6-104.7 -79.2 149.6 70.7 10.0 16.8 29 29 A N + 0 0 60 -2,-0.2 -24,-3.1 26,-0.0 -23,-0.1 -0.396 50.8 175.5 -81.4 66.5 73.4 7.9 18.5 30 30 A L - 0 0 2 -2,-2.2 26,-0.2 -5,-0.3 -23,-0.2 -0.355 28.8-143.1 -61.8 148.7 71.2 5.1 19.8 31 31 A K S S+ 0 0 115 -25,-1.9 25,-2.3 1,-0.3 2,-0.4 0.955 82.8 6.6 -77.0 -57.3 73.0 2.2 21.5 32 32 A N E -ac 7 56A 19 -26,-1.2 -24,-2.2 23,-0.2 2,-0.5 -0.987 59.2-168.8-130.8 138.8 70.8 -0.5 20.1 33 33 A F E -ac 8 57A 0 23,-2.8 25,-2.1 -2,-0.4 2,-0.6 -0.973 12.1-165.0-127.7 111.0 67.9 -0.4 17.6 34 34 A V E -ac 9 58A 1 -26,-3.6 -24,-2.8 -2,-0.5 2,-0.5 -0.891 3.8-158.7-106.6 116.8 65.9 -3.6 17.5 35 35 A I E -ac 10 59A 0 23,-2.9 25,-2.9 -2,-0.6 2,-0.5 -0.828 9.3-174.9 -99.9 125.9 63.5 -4.1 14.5 36 36 A L E +ac 11 60A 2 -26,-2.3 -24,-3.4 -2,-0.5 -23,-0.6 -0.984 21.6 152.5-115.3 117.5 60.6 -6.5 14.6 37 37 A D E - c 0 61A 31 23,-1.9 25,-2.3 -2,-0.5 26,-0.1 -0.988 50.5-120.8-145.5 158.7 58.8 -6.8 11.3 38 38 A R S S+ 0 0 153 -2,-0.3 2,-0.4 23,-0.2 -1,-0.1 0.847 98.2 31.1 -67.2 -39.9 56.6 -9.5 9.5 39 39 A V S S- 0 0 84 23,-0.1 -1,-0.1 22,-0.1 2,-0.1 -0.978 86.5-115.6-124.9 135.2 58.9 -9.8 6.4 40 40 A E - 0 0 106 -2,-0.4 -2,-0.0 1,-0.1 21,-0.0 -0.387 22.3-169.0 -62.8 139.5 62.7 -9.4 6.2 41 41 A N > + 0 0 61 1,-0.1 4,-2.4 -2,-0.1 3,-0.2 -0.738 6.2 179.5-131.0 84.5 64.0 -6.5 4.1 42 42 A P H > S+ 0 0 83 0, 0.0 4,-2.0 0, 0.0 5,-0.1 0.787 80.6 53.4 -59.7 -30.8 67.7 -7.0 3.7 43 43 A T H > S+ 0 0 111 2,-0.2 4,-2.2 1,-0.2 5,-0.1 0.924 111.6 43.6 -68.7 -46.7 68.2 -3.9 1.5 44 44 A A H > S+ 0 0 4 -3,-0.2 4,-2.3 2,-0.2 5,-0.2 0.887 113.1 53.0 -66.4 -39.7 66.5 -1.6 4.0 45 45 A L H X S+ 0 0 24 -4,-2.4 4,-2.0 1,-0.2 -2,-0.2 0.925 110.1 47.6 -60.6 -45.8 68.3 -3.2 6.9 46 46 A A H X S+ 0 0 58 -4,-2.0 4,-2.0 -5,-0.2 -2,-0.2 0.904 110.5 53.2 -61.2 -43.1 71.7 -2.6 5.1 47 47 A E H X S+ 0 0 74 -4,-2.2 4,-1.3 2,-0.2 -2,-0.2 0.915 109.1 47.3 -58.5 -48.6 70.7 1.0 4.4 48 48 A L H X S+ 0 0 0 -4,-2.3 4,-1.0 1,-0.2 3,-0.5 0.922 110.2 52.2 -61.0 -47.1 69.9 1.9 8.0 49 49 A K H < S+ 0 0 89 -4,-2.0 3,-0.4 1,-0.2 -1,-0.2 0.893 107.5 53.8 -54.8 -44.0 73.1 0.3 9.3 50 50 A A H < S+ 0 0 73 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.812 97.3 65.7 -61.0 -34.9 75.1 2.4 6.9 51 51 A I H < S+ 0 0 69 -4,-1.3 -1,-0.2 -3,-0.5 -2,-0.2 0.897 124.8 3.8 -56.3 -45.2 73.6 5.6 8.1 52 52 A N >< - 0 0 13 -4,-1.0 3,-1.7 -3,-0.4 -1,-0.3 -0.760 60.2-174.0-148.5 92.4 75.2 5.3 11.5 53 53 A P T 3 S+ 0 0 113 0, 0.0 4,-0.1 0, 0.0 -3,-0.1 0.631 84.2 71.5 -64.4 -13.8 77.6 2.4 12.2 54 54 A K T 3 S+ 0 0 157 2,-0.1 2,-0.4 -5,-0.0 -5,-0.0 0.769 84.6 80.2 -68.2 -29.6 77.7 3.5 15.8 55 55 A V S < S- 0 0 7 -3,-1.7 2,-0.8 -6,-0.2 -23,-0.2 -0.693 81.3-136.1 -82.6 128.4 74.2 2.2 16.3 56 56 A N E -c 32 0A 83 -25,-2.3 -23,-2.8 -2,-0.4 2,-0.5 -0.775 25.6-166.9 -86.3 110.3 73.8 -1.5 16.8 57 57 A I E +c 33 0A 3 -2,-0.8 2,-0.3 -25,-0.2 -23,-0.2 -0.866 10.0 175.6-106.6 127.8 70.9 -2.7 14.6 58 58 A T E -c 34 0A 53 -25,-2.1 -23,-2.9 -2,-0.5 2,-0.4 -0.901 13.9-148.4-125.4 158.2 69.3 -6.1 14.9 59 59 A F E -c 35 0A 36 -2,-0.3 2,-0.4 -25,-0.2 -23,-0.2 -0.986 9.4-173.6-131.3 137.2 66.3 -7.7 13.2 60 60 A H E -c 36 0A 33 -25,-2.9 -23,-1.9 -2,-0.4 2,-0.7 -0.998 28.2-127.0-126.4 132.9 63.7 -10.3 14.2 61 61 A T E +c 37 0A 99 -2,-0.4 2,-0.4 -25,-0.2 -23,-0.2 -0.695 47.1 168.0 -74.5 115.8 61.0 -11.8 11.9 62 62 A Y - 0 0 18 -25,-2.3 2,-0.5 -2,-0.7 -50,-0.1 -0.996 32.7-160.7-144.6 130.4 57.9 -11.1 13.9 63 63 A D > - 0 0 50 -2,-0.4 3,-1.5 1,-0.1 -26,-0.0 -0.958 15.3-148.9-107.9 121.6 54.1 -11.2 13.3 64 64 A V T 3 S+ 0 0 12 -2,-0.5 49,-0.1 1,-0.3 50,-0.1 0.611 90.0 73.7 -65.0 -11.7 52.0 -9.2 15.9 65 65 A T T 3 S+ 0 0 57 48,-0.0 -1,-0.3 2,-0.0 3,-0.1 0.445 72.2 108.6 -86.2 0.9 49.1 -11.7 15.6 66 66 A V S < S- 0 0 24 -3,-1.5 5,-0.1 1,-0.1 47,-0.0 -0.354 83.6 -85.1 -71.6 155.6 50.9 -14.4 17.6 67 67 A P >> - 0 0 82 0, 0.0 4,-1.4 0, 0.0 3,-1.0 -0.225 41.5-109.1 -57.9 153.9 49.7 -15.3 21.1 68 68 A V H 3> S+ 0 0 53 1,-0.3 4,-2.6 2,-0.2 5,-0.2 0.824 116.1 61.3 -57.4 -35.8 51.1 -13.1 23.9 69 69 A A H 3> S+ 0 0 72 1,-0.2 4,-2.0 2,-0.2 -1,-0.3 0.869 103.5 51.4 -60.5 -36.8 53.3 -16.0 25.3 70 70 A E H <> S+ 0 0 92 -3,-1.0 4,-1.7 2,-0.2 -1,-0.2 0.911 110.3 47.3 -65.5 -44.2 55.1 -16.0 22.0 71 71 A S H X S+ 0 0 2 -4,-1.4 4,-2.3 1,-0.2 -2,-0.2 0.884 110.5 53.4 -63.4 -39.5 55.8 -12.2 22.1 72 72 A K H X S+ 0 0 68 -4,-2.6 4,-2.5 2,-0.2 -2,-0.2 0.890 105.2 54.7 -59.5 -43.4 56.9 -12.6 25.7 73 73 A K H X S+ 0 0 142 -4,-2.0 4,-1.6 1,-0.2 -2,-0.2 0.903 110.3 45.6 -58.4 -44.6 59.4 -15.3 24.6 74 74 A L H X S+ 0 0 30 -4,-1.7 4,-1.9 2,-0.2 -2,-0.2 0.891 111.6 51.6 -67.1 -41.4 61.0 -12.9 22.0 75 75 A L H X S+ 0 0 4 -4,-2.3 4,-3.3 2,-0.2 5,-0.2 0.902 106.8 53.9 -63.1 -40.8 61.1 -10.0 24.4 76 76 A K H X S+ 0 0 110 -4,-2.5 4,-2.6 1,-0.2 -1,-0.2 0.907 106.7 52.4 -58.3 -44.2 62.9 -12.2 27.0 77 77 A K H X S+ 0 0 113 -4,-1.6 4,-1.1 1,-0.2 -1,-0.2 0.906 114.3 43.1 -55.8 -44.8 65.5 -13.0 24.3 78 78 A I H X S+ 0 0 2 -4,-1.9 4,-2.9 2,-0.2 5,-0.3 0.906 113.8 49.0 -70.3 -45.6 66.0 -9.3 23.7 79 79 A F H X S+ 0 0 16 -4,-3.3 4,-2.2 1,-0.2 -2,-0.2 0.862 108.7 54.2 -65.5 -37.0 66.0 -8.2 27.4 80 80 A D H < S+ 0 0 84 -4,-2.6 -1,-0.2 -5,-0.2 -2,-0.2 0.862 115.2 41.0 -61.9 -36.2 68.6 -10.9 28.2 81 81 A Q H < S+ 0 0 115 -4,-1.1 -2,-0.2 -5,-0.2 -1,-0.2 0.929 128.1 27.6 -77.9 -47.9 70.8 -9.6 25.5 82 82 A L H < S- 0 0 32 -4,-2.9 2,-2.1 1,-0.1 -3,-0.2 0.613 84.5-150.5 -92.4 -16.1 70.4 -5.8 26.0 83 83 A K S < S+ 0 0 152 -4,-2.2 2,-0.3 -5,-0.3 -1,-0.1 -0.251 75.7 41.1 72.0 -49.1 69.6 -5.8 29.8 84 84 A T - 0 0 74 -2,-2.1 2,-0.4 -6,-0.1 -4,-0.0 -0.948 59.7-165.3-129.2 148.5 67.5 -2.7 29.3 85 85 A V - 0 0 6 -2,-0.3 -77,-0.2 1,-0.1 3,-0.1 -0.999 3.5-174.9-129.2 131.4 65.0 -1.3 26.8 86 86 A D + 0 0 51 -79,-2.2 46,-0.8 -2,-0.4 2,-0.4 0.824 66.6 20.1 -94.0 -39.5 64.1 2.4 27.0 87 87 A I E -bd 8 132A 2 -80,-1.7 -78,-2.4 44,-0.2 2,-0.4 -0.999 54.8-161.4-139.2 136.0 61.4 2.8 24.3 88 88 A L E -bd 9 133A 0 44,-2.7 46,-2.7 -2,-0.4 2,-0.5 -0.981 9.1-163.1-111.7 130.6 58.9 0.5 22.5 89 89 A I E -bd 10 134A 0 -80,-2.6 -78,-2.8 -2,-0.4 2,-0.7 -0.971 2.3-161.7-112.3 120.0 57.3 1.7 19.3 90 90 A N E +bd 11 135A 5 44,-2.3 46,-2.9 -2,-0.5 -78,-0.1 -0.895 27.6 151.6-101.4 106.6 54.2 -0.2 18.2 91 91 A G + 0 0 16 -80,-1.7 -79,-0.1 -2,-0.7 -1,-0.1 0.355 18.0 129.5-121.7 6.4 53.7 0.6 14.5 92 92 A A + 0 0 23 14,-0.1 2,-0.3 -77,-0.0 19,-0.1 -0.374 26.5 145.3 -67.5 138.1 51.9 -2.4 12.8 93 93 A G - 0 0 35 -2,-0.1 2,-0.3 2,-0.0 10,-0.1 -0.927 28.9-161.9-167.3 148.3 48.8 -1.8 10.7 94 94 A I - 0 0 40 -2,-0.3 2,-0.5 9,-0.2 13,-0.1 -0.941 11.2-151.1-123.1 154.0 46.9 -2.9 7.7 95 95 A L + 0 0 17 -2,-0.3 98,-0.3 93,-0.1 2,-0.1 -0.927 49.1 118.1-124.7 100.8 44.2 -1.1 5.8 96 96 A D > - 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0 0 23 -2,-0.3 11,-0.4 -3,-0.2 2,-0.4 -0.996 34.7-105.8-158.5 162.9 42.7 -0.4 -0.7 193 193 A N - 0 0 57 -98,-0.3 -96,-2.1 -2,-0.3 2,-0.2 -0.725 21.4-146.5 -96.9 133.2 39.3 -2.0 0.0 194 194 A S > - 0 0 1 -2,-0.4 3,-1.8 -98,-0.1 2,-0.2 -0.590 42.3 -83.6 -86.0 158.1 36.2 -0.3 1.5 195 195 A W G > S- 0 0 2 -48,-1.6 3,-1.8 1,-0.3 -97,-0.1 -0.464 112.0 -12.2 -64.5 122.9 33.8 -2.3 3.8 196 196 A L G 3 S- 0 0 56 -99,-0.4 -1,-0.3 1,-0.3 -98,-0.1 0.710 117.7 -79.0 56.0 22.8 31.3 -4.1 1.5 197 197 A D G < S+ 0 0 72 -3,-1.8 -1,-0.3 2,-0.1 -2,-0.2 0.873 81.1 157.0 51.3 42.1 32.7 -2.0 -1.3 198 198 A V S < S+ 0 0 8 -3,-1.8 -2,-0.1 1,-0.3 -1,-0.1 0.827 79.4 21.2 -61.7 -31.0 30.6 0.9 -0.2 199 199 A E > + 0 0 39 -52,-0.3 3,-2.0 -4,-0.1 -1,-0.3 -0.728 65.8 179.1-140.4 87.1 33.1 3.2 -2.0 200 200 A P T 3 S+ 0 0 105 0, 0.0 3,-0.2 0, 0.0 4,-0.1 0.653 87.4 52.3 -65.5 -12.8 35.1 1.4 -4.7 201 201 A R T 3> S+ 0 0 127 1,-0.1 4,-2.9 2,-0.1 5,-0.3 0.126 72.4 119.5-104.2 17.3 36.9 4.7 -5.4 202 202 A V H <> S+ 0 0 1 -3,-2.0 4,-2.6 1,-0.2 5,-0.2 0.879 75.9 46.2 -55.6 -44.6 37.9 5.4 -1.8 203 203 A A H > S+ 0 0 15 -11,-0.4 4,-2.1 -3,-0.2 -1,-0.2 0.915 114.5 49.1 -64.6 -42.2 41.6 5.4 -2.5 204 204 A E H 4 S+ 0 0 118 2,-0.2 4,-0.2 1,-0.2 -2,-0.2 0.927 114.7 44.1 -58.0 -49.9 41.1 7.7 -5.6 205 205 A L H >< S+ 0 0 42 -4,-2.9 3,-1.1 1,-0.2 4,-0.2 0.900 112.2 51.4 -68.7 -43.2 38.9 10.1 -3.7 206 206 A L H >< S+ 0 0 3 -4,-2.6 3,-1.4 -5,-0.3 -1,-0.2 0.929 110.3 49.0 -58.1 -47.2 41.1 10.3 -0.6 207 207 A L T 3< S+ 0 0 63 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.387 89.5 80.3 -80.8 3.6 44.3 11.1 -2.6 208 208 A S T < S+ 0 0 84 -3,-1.1 -1,-0.3 -4,-0.2 -2,-0.2 0.589 92.2 66.2 -77.3 -10.2 42.5 13.8 -4.6 209 209 A H S < S- 0 0 60 -3,-1.4 296,-0.0 -4,-0.2 295,-0.0 -0.680 103.9 -71.0-110.4 161.2 43.2 15.9 -1.4 210 210 A P + 0 0 99 0, 0.0 2,-0.2 0, 0.0 -27,-0.2 -0.122 52.8 173.7 -53.4 145.0 46.5 17.2 0.1 211 211 A T - 0 0 25 -4,-0.1 2,-0.3 -29,-0.1 -27,-0.2 -0.811 23.2-121.9-138.0 178.0 48.8 14.7 1.9 212 212 A Q E -h 184 0B 0 -29,-1.9 -27,-2.6 -2,-0.2 2,-0.2 -0.797 28.3-103.5-120.9 167.9 52.3 14.6 3.5 213 213 A T E > -h 185 0B 31 -2,-0.3 4,-2.0 -29,-0.2 26,-0.1 -0.551 22.9-123.1 -86.0 155.3 55.4 12.6 2.8 214 214 A S H > S+ 0 0 13 -29,-0.5 4,-2.7 2,-0.2 5,-0.2 0.812 114.2 61.2 -63.7 -29.0 56.5 9.7 4.9 215 215 A E H > S+ 0 0 95 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.944 105.6 44.3 -60.2 -50.7 59.8 11.6 5.3 216 216 A Q H > S+ 0 0 68 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.899 113.4 51.6 -59.0 -45.6 58.0 14.6 7.0 217 217 A C H X S+ 0 0 0 -4,-2.0 4,-2.3 1,-0.2 -2,-0.2 0.927 110.4 48.2 -58.3 -47.4 56.0 12.1 9.1 218 218 A G H X S+ 0 0 0 -4,-2.7 4,-2.2 2,-0.2 -2,-0.2 0.871 110.3 51.7 -62.6 -40.7 59.2 10.4 10.3 219 219 A Q H X S+ 0 0 94 -4,-2.3 4,-1.8 1,-0.2 -1,-0.2 0.937 114.3 42.5 -60.1 -48.5 60.9 13.7 11.1 220 220 A N H X S+ 0 0 19 -4,-2.4 4,-2.3 2,-0.2 -2,-0.2 0.816 109.0 60.2 -68.3 -31.3 57.9 14.8 13.2 221 221 A F H X S+ 0 0 0 -4,-2.3 4,-2.1 2,-0.2 -2,-0.2 0.962 108.1 43.4 -59.3 -53.2 57.6 11.3 14.8 222 222 A V H X S+ 0 0 0 -4,-2.2 4,-2.5 1,-0.2 -2,-0.2 0.870 110.3 56.7 -64.3 -36.0 61.2 11.6 16.2 223 223 A K H X S+ 0 0 117 -4,-1.8 4,-2.0 2,-0.2 -1,-0.2 0.919 108.7 47.3 -56.7 -46.1 60.5 15.2 17.3 224 224 A A H X S+ 0 0 0 -4,-2.3 4,-1.8 2,-0.2 5,-0.4 0.874 109.5 53.3 -64.2 -38.7 57.5 13.8 19.3 225 225 A I H < S+ 0 0 2 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.916 110.3 47.7 -60.9 -43.5 59.7 11.0 20.8 226 226 A E H < S+ 0 0 59 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.834 106.4 56.3 -69.1 -33.5 62.2 13.7 21.9 227 227 A A H < S- 0 0 37 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.884 87.8-169.0 -62.4 -38.9 59.4 15.8 23.4 228 228 A N < + 0 0 52 -4,-1.8 2,-0.7 1,-0.2 -3,-0.1 0.907 12.6 172.3 51.9 57.1 58.5 12.7 25.5 229 229 A K > - 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