==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=25-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 25-NOV-98 1B15 . COMPND 2 MOLECULE: ALCOHOL DEHYDROGENASE; . SOURCE 2 ORGANISM_SCIENTIFIC: SCAPTODROSOPHILA LEBANONENSIS; . AUTHOR J.BENACH,S.ATRIAN,R.GONZALEZ-DUARTE,R.LADENSTEIN . 508 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 19032.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 378 74.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 76 15.0 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 . 48 9.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 55 10.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 167 32.9 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 2 2 0 0 2 0 2 1 1 0 4 2 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 2 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 . 2 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 64 0, 0.0 2,-0.6 0, 0.0 227,-0.1 0.000 360.0 360.0 360.0 143.5 28.5 2.2 -9.8 2 2 A D - 0 0 106 1,-0.1 224,-0.0 2,-0.1 26,-0.0 -0.821 360.0-159.6 -92.2 121.2 28.9 -0.2 -12.7 3 3 A L > + 0 0 0 -2,-0.6 3,-2.2 2,-0.1 28,-0.2 0.603 50.2 123.2 -79.8 -12.1 27.4 -3.6 -11.9 4 4 A T T 3 S- 0 0 54 1,-0.3 26,-0.3 26,-0.1 25,-0.2 -0.248 87.1 -0.4 -52.9 125.2 29.4 -5.4 -14.6 5 5 A N T 3 S+ 0 0 91 24,-3.2 -1,-0.3 1,-0.2 2,-0.2 0.681 98.9 142.6 65.9 20.4 31.5 -8.2 -13.1 6 6 A K < - 0 0 45 -3,-2.2 25,-1.8 23,-0.1 26,-1.2 -0.552 49.7-131.9 -86.6 155.9 30.2 -7.5 -9.5 7 7 A N E -a 32 0A 1 -2,-0.2 79,-2.4 24,-0.2 80,-1.4 -0.936 29.4-172.6-109.1 124.5 29.5 -10.1 -6.9 8 8 A V E -ab 33 87A 1 24,-2.5 26,-2.9 -2,-0.5 2,-0.5 -0.962 18.0-160.1-125.4 131.4 26.1 -9.5 -5.3 9 9 A I E -ab 34 88A 0 78,-2.8 80,-2.2 -2,-0.4 2,-0.5 -0.976 13.4-172.0-103.5 131.2 24.5 -11.2 -2.3 10 10 A F E > -ab 35 89A 0 24,-2.8 26,-2.1 -2,-0.5 3,-0.8 -0.930 10.2-155.4-127.8 109.0 20.7 -10.8 -2.2 11 11 A V E 3 S+ab 36 90A 4 78,-2.9 80,-1.5 -2,-0.5 26,-0.2 -0.720 85.5 9.5 -79.1 127.1 18.9 -12.0 0.8 12 12 A A T > S+ 0 0 14 24,-3.7 3,-0.6 -2,-0.4 -1,-0.3 0.901 79.3 152.8 67.5 46.9 15.2 -12.7 -0.1 13 13 A A T < + 0 0 0 -3,-0.8 9,-0.3 23,-0.5 8,-0.1 0.563 60.5 63.8 -79.2 -9.4 15.8 -12.3 -3.8 14 14 A L T 3 S+ 0 0 19 22,-0.2 -1,-0.2 4,-0.1 30,-0.1 0.266 80.3 98.3-108.8 7.0 12.9 -14.7 -4.8 15 15 A G S <> S- 0 0 37 -3,-0.6 4,-3.8 1,-0.0 5,-0.3 -0.233 94.1 -82.3 -77.2-177.1 9.9 -12.7 -3.4 16 16 A G H > S+ 0 0 28 2,-0.2 4,-1.4 1,-0.2 5,-0.2 0.954 131.2 27.3 -54.2 -62.2 7.6 -10.4 -5.3 17 17 A I H > S+ 0 0 34 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.907 121.6 57.5 -68.1 -38.7 9.9 -7.4 -5.3 18 18 A G H > S+ 0 0 4 1,-0.2 4,-2.8 2,-0.2 -2,-0.2 0.905 104.6 48.8 -55.4 -54.7 13.0 -9.5 -5.0 19 19 A L H X S+ 0 0 23 -4,-3.8 4,-2.4 2,-0.2 -1,-0.2 0.936 113.0 46.2 -60.2 -44.8 12.3 -11.5 -8.2 20 20 A D H X S+ 0 0 12 -4,-1.4 4,-1.3 -5,-0.3 -1,-0.2 0.825 114.2 49.0 -68.2 -31.9 11.6 -8.4 -10.4 21 21 A T H X S+ 0 0 0 -4,-2.4 4,-2.2 2,-0.2 -1,-0.2 0.907 110.7 51.6 -65.2 -44.0 14.7 -6.7 -8.9 22 22 A S H X S+ 0 0 0 -4,-2.8 4,-2.5 -9,-0.3 5,-0.2 0.883 103.6 57.0 -65.6 -39.1 16.7 -9.9 -9.6 23 23 A R H X S+ 0 0 54 -4,-2.4 4,-1.0 1,-0.2 -1,-0.2 0.906 112.5 42.1 -58.8 -42.7 15.5 -10.0 -13.3 24 24 A E H X S+ 0 0 31 -4,-1.3 4,-0.6 2,-0.2 -1,-0.2 0.880 112.0 55.6 -65.9 -40.8 16.9 -6.5 -13.8 25 25 A L H >< S+ 0 0 1 -4,-2.2 3,-1.8 1,-0.2 5,-0.4 0.927 104.4 50.6 -64.5 -47.4 20.1 -7.2 -11.9 26 26 A V H >< S+ 0 0 0 -4,-2.5 3,-1.5 1,-0.3 -1,-0.2 0.777 98.5 68.1 -70.7 -21.0 21.2 -10.2 -13.9 27 27 A K H 3< S+ 0 0 107 -4,-1.0 -1,-0.3 1,-0.2 -2,-0.2 0.776 89.3 69.4 -53.3 -29.9 20.7 -8.2 -17.1 28 28 A R T << S- 0 0 56 -3,-1.8 -1,-0.2 -4,-0.6 -2,-0.2 0.348 112.1-111.7 -80.5 3.9 23.7 -6.1 -15.8 29 29 A N < - 0 0 55 -3,-1.5 -24,-3.2 -25,-0.2 -3,-0.1 0.889 44.9-176.1 72.1 40.0 26.3 -8.8 -16.3 30 30 A L - 0 0 2 -5,-0.4 -23,-0.2 -26,-0.3 3,-0.2 -0.290 25.3-140.1 -51.1 148.0 27.2 -9.6 -12.7 31 31 A K S S+ 0 0 103 -25,-1.8 25,-2.6 1,-0.3 2,-0.4 0.916 86.4 11.9 -71.0 -59.9 30.0 -12.1 -12.2 32 32 A N E -ac 7 56A 17 -26,-1.2 -24,-2.5 23,-0.2 2,-0.5 -0.984 60.7-170.8-126.0 134.0 28.3 -13.8 -9.3 33 33 A F E -ac 8 57A 0 23,-2.9 25,-2.4 -2,-0.4 2,-0.6 -0.987 11.6-166.8-124.0 110.6 24.7 -13.5 -8.0 34 34 A V E -ac 9 58A 1 -26,-2.9 -24,-2.8 -2,-0.5 2,-0.6 -0.938 3.6-159.3-103.5 117.4 24.2 -15.3 -4.7 35 35 A I E -ac 10 59A 0 23,-3.3 25,-2.8 -2,-0.6 2,-0.5 -0.833 7.6-173.7 -97.0 122.7 20.6 -15.8 -3.6 36 36 A L E +ac 11 60A 2 -26,-2.1 -24,-3.7 -2,-0.6 -23,-0.5 -0.974 23.3 147.8-109.5 119.8 19.9 -16.4 0.0 37 37 A D E - c 0 61A 34 23,-1.6 25,-2.4 -2,-0.5 3,-0.1 -0.966 56.7-112.2-153.0 166.0 16.3 -17.2 0.7 38 38 A R S S+ 0 0 141 -2,-0.3 2,-0.3 23,-0.2 -1,-0.1 0.773 100.8 18.3 -75.6 -32.5 14.3 -19.2 3.1 39 39 A V S S- 0 0 87 23,-0.1 -1,-0.2 21,-0.1 -25,-0.1 -0.998 83.4-110.5-138.8 138.6 13.1 -21.7 0.5 40 40 A E - 0 0 103 -2,-0.3 3,-0.1 -3,-0.1 -2,-0.0 -0.273 20.2-166.4 -60.9 141.3 14.3 -22.6 -3.0 41 41 A N > - 0 0 59 1,-0.1 4,-2.8 2,-0.0 5,-0.1 -0.831 5.8-178.6-129.1 94.4 12.2 -21.7 -6.1 42 42 A P H > S+ 0 0 87 0, 0.0 4,-3.1 0, 0.0 5,-0.3 0.843 82.8 59.7 -68.1 -28.1 13.7 -23.7 -9.0 43 43 A T H > S+ 0 0 110 2,-0.2 4,-2.8 1,-0.2 5,-0.2 0.978 111.6 38.3 -58.1 -57.6 11.1 -22.0 -11.4 44 44 A A H > S+ 0 0 2 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.912 116.2 54.0 -60.2 -40.7 12.5 -18.6 -10.5 45 45 A L H X S+ 0 0 14 -4,-2.8 4,-2.5 2,-0.2 -1,-0.2 0.945 110.8 45.1 -59.7 -48.6 16.0 -19.9 -10.5 46 46 A A H X S+ 0 0 60 -4,-3.1 4,-2.8 1,-0.2 -2,-0.2 0.941 112.8 51.6 -64.6 -43.8 15.7 -21.4 -14.0 47 47 A E H X S+ 0 0 71 -4,-2.8 4,-1.9 -5,-0.3 -1,-0.2 0.937 111.4 46.6 -50.8 -52.0 14.0 -18.2 -15.2 48 48 A L H X S+ 0 0 0 -4,-2.7 4,-1.1 1,-0.2 -2,-0.2 0.926 112.1 49.9 -63.3 -45.5 16.9 -16.0 -13.8 49 49 A K H < S+ 0 0 108 -4,-2.5 3,-0.4 -5,-0.2 -1,-0.2 0.912 107.6 56.3 -61.2 -39.2 19.6 -18.3 -15.3 50 50 A A H < S+ 0 0 75 -4,-2.8 -2,-0.2 1,-0.2 -1,-0.2 0.918 99.5 60.3 -56.6 -45.4 17.7 -18.2 -18.6 51 51 A I H < S+ 0 0 61 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.852 123.7 7.9 -58.2 -41.4 17.9 -14.4 -18.8 52 52 A N >< - 0 0 20 -4,-1.1 3,-2.0 -3,-0.4 -1,-0.3 -0.674 58.0-173.9-149.7 96.8 21.7 -14.1 -18.7 53 53 A P T 3 S+ 0 0 115 0, 0.0 -1,-0.1 0, 0.0 4,-0.1 0.688 82.2 70.2 -68.4 -23.2 23.8 -17.2 -19.0 54 54 A K T 3 S+ 0 0 142 -28,-0.1 2,-0.3 2,-0.1 -5,-0.1 0.716 82.8 84.9 -57.5 -31.3 27.0 -15.2 -18.3 55 55 A V S < S- 0 0 9 -3,-2.0 2,-0.7 -6,-0.1 -23,-0.2 -0.632 78.0-136.2 -78.3 129.6 26.0 -14.6 -14.7 56 56 A N E -c 32 0A 89 -25,-2.6 -23,-2.9 -2,-0.3 2,-0.5 -0.843 26.5-166.0 -82.9 113.5 27.0 -17.4 -12.2 57 57 A I E +c 33 0A 8 -2,-0.7 2,-0.3 -25,-0.2 -23,-0.2 -0.922 9.8 177.5-105.0 123.4 23.8 -17.8 -10.1 58 58 A T E -c 34 0A 38 -25,-2.4 -23,-3.3 -2,-0.5 2,-0.4 -0.946 12.5-154.0-124.8 153.1 24.0 -19.7 -6.8 59 59 A F E -c 35 0A 31 -2,-0.3 2,-0.4 -25,-0.2 -23,-0.2 -0.969 10.4-179.1-125.1 136.3 21.3 -20.4 -4.2 60 60 A H E -c 36 0A 45 -25,-2.8 -23,-1.6 -2,-0.4 2,-0.2 -0.992 33.0-117.0-134.9 138.0 21.7 -21.1 -0.5 61 61 A T E +c 37 0A 98 -2,-0.4 2,-0.3 -25,-0.2 -23,-0.2 -0.493 45.0 170.6 -66.3 127.9 18.9 -21.8 2.0 62 62 A Y - 0 0 15 -25,-2.4 2,-0.5 -2,-0.2 -50,-0.1 -0.933 25.1-166.3-144.2 126.8 19.0 -19.0 4.5 63 63 A D > - 0 0 46 -2,-0.3 3,-1.7 -25,-0.1 -26,-0.0 -0.989 16.2-149.2-104.7 126.2 16.6 -18.0 7.3 64 64 A V T 3 S+ 0 0 11 -2,-0.5 49,-0.1 1,-0.3 50,-0.1 0.549 90.1 74.0 -72.6 -7.9 17.4 -14.5 8.7 65 65 A T T 3 S+ 0 0 56 48,-0.0 -1,-0.3 2,-0.0 3,-0.1 0.479 73.1 107.3 -85.7 2.7 16.1 -15.6 12.2 66 66 A V S < S- 0 0 35 -3,-1.7 5,-0.1 1,-0.1 47,-0.0 -0.391 83.6 -90.3 -67.8 154.6 19.3 -17.7 12.8 67 67 A P >> - 0 0 68 0, 0.0 4,-1.6 0, 0.0 3,-1.2 -0.266 38.6-105.6 -61.6 151.6 21.8 -16.4 15.3 68 68 A V H 3> S+ 0 0 27 1,-0.3 4,-2.8 2,-0.2 5,-0.2 0.774 118.8 62.8 -48.3 -39.0 24.7 -14.2 14.1 69 69 A A H 3> S+ 0 0 70 2,-0.2 4,-2.0 1,-0.2 -1,-0.3 0.879 103.7 48.1 -63.2 -38.5 27.1 -17.2 14.4 70 70 A E H <> S+ 0 0 85 -3,-1.2 4,-2.1 2,-0.2 -2,-0.2 0.920 109.9 51.3 -65.2 -44.4 25.2 -19.1 11.8 71 71 A S H X S+ 0 0 0 -4,-1.6 4,-3.0 2,-0.2 5,-0.3 0.947 110.0 50.2 -51.6 -52.9 25.1 -16.2 9.5 72 72 A K H X S+ 0 0 72 -4,-2.8 4,-2.4 1,-0.2 -2,-0.2 0.890 108.1 53.5 -53.8 -46.9 28.9 -15.8 9.8 73 73 A K H X S+ 0 0 148 -4,-2.0 4,-1.3 2,-0.2 -1,-0.2 0.912 112.9 42.9 -49.5 -49.5 29.3 -19.5 9.1 74 74 A L H X S+ 0 0 37 -4,-2.1 4,-1.6 1,-0.2 3,-0.4 0.957 115.9 47.8 -69.3 -46.7 27.3 -19.2 5.9 75 75 A L H X S+ 0 0 4 -4,-3.0 4,-3.2 1,-0.2 5,-0.3 0.826 103.8 61.5 -59.9 -34.7 29.0 -16.0 4.8 76 76 A K H X S+ 0 0 144 -4,-2.4 4,-1.9 -5,-0.3 -1,-0.2 0.924 105.0 47.8 -63.7 -43.0 32.5 -17.3 5.5 77 77 A K H X S+ 0 0 129 -4,-1.3 4,-2.4 -3,-0.4 -2,-0.2 0.939 112.6 49.0 -59.9 -47.0 32.0 -20.0 2.9 78 78 A I H X S+ 0 0 2 -4,-1.6 4,-2.7 1,-0.2 5,-0.4 0.951 112.5 46.8 -60.8 -55.5 30.6 -17.5 0.3 79 79 A F H X S+ 0 0 21 -4,-3.2 4,-2.0 1,-0.2 -1,-0.2 0.831 110.6 53.8 -56.2 -37.1 33.5 -15.1 0.8 80 80 A D H < S+ 0 0 134 -4,-1.9 -1,-0.2 -5,-0.3 -2,-0.2 0.936 115.1 38.9 -66.4 -46.5 36.0 -17.9 0.6 81 81 A Q H < S+ 0 0 118 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.906 127.9 32.3 -63.3 -47.5 34.7 -19.1 -2.8 82 82 A L H < S- 0 0 25 -4,-2.7 2,-1.3 -5,-0.2 -2,-0.2 0.633 89.0-153.4 -85.4 -25.6 34.0 -15.7 -4.3 83 83 A K S < S+ 0 0 169 -4,-2.0 2,-0.3 -5,-0.4 -4,-0.1 -0.162 72.7 36.0 77.5 -46.8 36.9 -14.0 -2.5 84 84 A T - 0 0 70 -2,-1.3 2,-0.4 -6,-0.1 0, 0.0 -0.967 62.5-162.9-132.9 147.0 35.2 -10.6 -2.6 85 85 A V - 0 0 6 -2,-0.3 -77,-0.2 1,-0.1 3,-0.1 -0.986 2.9-171.7-127.9 130.6 31.6 -9.5 -2.4 86 86 A D + 0 0 47 -79,-2.4 46,-0.8 -2,-0.4 2,-0.4 0.776 66.0 21.2 -90.7 -36.3 30.7 -6.0 -3.6 87 87 A I E -bd 8 132A 1 -80,-1.4 -78,-2.8 44,-0.2 2,-0.4 -0.997 54.0-162.7-142.3 133.3 27.1 -5.6 -2.5 88 88 A L E -bd 9 133A 0 44,-2.9 46,-3.2 -2,-0.4 2,-0.5 -0.956 9.8-164.3-114.6 134.4 24.7 -7.1 0.1 89 89 A I E -bd 10 134A 1 -80,-2.2 -78,-2.9 -2,-0.4 2,-0.7 -0.981 3.4-160.4-118.2 121.5 21.0 -6.6 -0.3 90 90 A N E +bd 11 135A 3 44,-2.4 46,-2.8 -2,-0.5 -78,-0.1 -0.911 29.6 148.6 -99.4 115.0 18.8 -7.3 2.7 91 91 A G + 0 0 17 -80,-1.5 -79,-0.1 -2,-0.7 -73,-0.1 0.363 16.6 129.6-129.6 4.9 15.3 -7.8 1.6 92 92 A A + 0 0 25 14,-0.1 2,-0.3 -74,-0.0 19,-0.1 -0.342 29.6 155.9 -68.4 149.6 13.5 -10.3 3.9 93 93 A G - 0 0 33 2,-0.0 2,-0.3 -2,-0.0 10,-0.1 -0.926 25.2-166.0-169.6 137.0 10.2 -9.1 5.2 94 94 A I - 0 0 41 -2,-0.3 2,-0.4 9,-0.2 13,-0.1 -0.913 9.2-154.4-127.2 161.6 6.9 -10.4 6.5 95 95 A L + 0 0 19 -2,-0.3 98,-0.3 93,-0.1 2,-0.1 -0.896 48.4 112.6-135.9 100.0 3.6 -8.6 7.0 96 96 A D > - 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0 0 12 -2,-0.3 11,-0.4 -3,-0.2 2,-0.3 -0.995 37.3-105.7-154.6 154.2 -2.8 -9.6 5.7 193 193 A N - 0 0 59 -98,-0.3 -96,-1.7 -2,-0.3 2,-0.2 -0.604 27.7-146.1 -77.6 132.2 -3.7 -9.4 9.5 194 194 A S > - 0 0 0 -2,-0.3 3,-1.7 -98,-0.1 2,-0.3 -0.584 39.6 -79.2 -85.7 167.1 -3.9 -6.1 11.3 195 195 A W G > S- 0 0 0 -48,-1.9 3,-1.8 1,-0.3 -97,-0.1 -0.447 112.8 -12.9 -74.4 124.2 -2.9 -5.7 14.9 196 196 A L G 3 S- 0 0 56 -99,-0.4 -1,-0.3 1,-0.3 -98,-0.1 0.829 117.2 -81.7 50.3 32.2 -5.6 -7.0 17.3 197 197 A D G < S+ 0 0 77 -3,-1.7 -1,-0.3 1,-0.1 -2,-0.2 0.837 80.3 156.0 35.7 53.5 -7.7 -7.0 14.1 198 198 A V S < S+ 0 0 10 -3,-1.8 -1,-0.1 1,-0.3 -2,-0.1 0.723 79.9 20.7 -66.6 -25.8 -8.4 -3.3 14.4 199 199 A E > + 0 0 35 -52,-0.2 3,-2.1 1,-0.1 -1,-0.3 -0.564 64.4 178.3-146.9 80.5 -9.0 -3.3 10.6 200 200 A P T 3 S+ 0 0 100 0, 0.0 3,-0.3 0, 0.0 -8,-0.2 0.704 86.3 52.8 -55.3 -22.0 -9.8 -6.7 9.2 201 201 A R T 3> + 0 0 125 1,-0.2 4,-2.9 2,-0.1 5,-0.3 0.082 69.5 122.3 -99.8 23.5 -10.1 -5.1 5.7 202 202 A V H <> S+ 0 0 0 -3,-2.1 4,-2.6 2,-0.2 5,-0.2 0.887 74.8 48.7 -53.1 -43.7 -6.8 -3.3 5.7 203 203 A A H > S+ 0 0 8 -11,-0.4 4,-2.5 -3,-0.3 -1,-0.2 0.977 112.0 48.7 -62.7 -50.5 -5.6 -5.1 2.5 204 204 A E H 4 S+ 0 0 107 1,-0.2 4,-0.3 2,-0.2 -2,-0.2 0.923 115.0 44.6 -54.3 -48.1 -8.8 -4.2 0.6 205 205 A L H >< S+ 0 0 43 -4,-2.9 3,-1.1 1,-0.2 -1,-0.2 0.909 111.6 53.2 -65.4 -41.0 -8.7 -0.6 1.7 206 206 A L H >< S+ 0 0 5 -4,-2.6 3,-1.3 -5,-0.3 -2,-0.2 0.903 108.0 49.5 -59.0 -45.1 -5.0 -0.3 0.9 207 207 A L T 3< S+ 0 0 56 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.406 91.8 77.2 -86.0 7.0 -5.3 -1.6 -2.6 208 208 A S T < S+ 0 0 84 -3,-1.1 -1,-0.3 -4,-0.3 -2,-0.1 0.308 91.8 68.8 -83.1 -4.0 -8.2 0.8 -3.4 209 209 A H S < S- 0 0 67 -3,-1.3 299,-0.0 1,-0.1 298,-0.0 -0.812 107.0 -68.2-107.0 164.3 -5.5 3.5 -3.7 210 210 A P + 0 0 93 0, 0.0 2,-0.2 0, 0.0 -27,-0.2 -0.117 56.8 178.8 -47.6 134.5 -2.8 3.9 -6.3 211 211 A T - 0 0 29 -4,-0.1 2,-0.3 -29,-0.1 -27,-0.2 -0.749 20.8-130.8-125.8-178.9 -0.1 1.2 -6.4 212 212 A Q E -h 184 0B 0 -29,-1.5 -27,-2.2 -2,-0.2 2,-0.2 -0.875 26.3-111.1-126.9 160.0 2.9 0.4 -8.5 213 213 A T E > -h 185 0B 50 -2,-0.3 4,-2.8 -29,-0.2 5,-0.2 -0.597 24.0-117.4 -85.8 160.5 3.9 -2.9 -10.0 214 214 A S H > S+ 0 0 20 -29,-0.6 4,-3.1 -2,-0.2 5,-0.1 0.805 116.8 58.4 -62.5 -28.0 6.8 -5.0 -8.8 215 215 A E H > S+ 0 0 110 2,-0.2 4,-2.3 3,-0.2 -1,-0.2 0.929 107.2 45.2 -68.0 -43.7 8.3 -4.5 -12.3 216 216 A Q H > S+ 0 0 72 2,-0.2 4,-2.2 1,-0.2 5,-0.2 0.945 116.6 46.6 -58.3 -49.7 8.3 -0.7 -11.8 217 217 A C H X S+ 0 0 0 -4,-2.8 4,-2.3 1,-0.2 -2,-0.2 0.947 111.2 52.2 -55.7 -50.1 9.7 -1.1 -8.3 218 218 A G H X S+ 0 0 0 -4,-3.1 4,-1.7 1,-0.2 -1,-0.2 0.867 109.0 49.2 -58.2 -43.2 12.3 -3.6 -9.6 219 219 A Q H X S+ 0 0 90 -4,-2.3 4,-1.6 2,-0.2 -1,-0.2 0.925 112.7 46.5 -60.6 -46.6 13.5 -1.2 -12.3 220 220 A N H X S+ 0 0 26 -4,-2.2 4,-2.3 1,-0.2 -2,-0.2 0.847 106.8 60.1 -68.9 -27.4 13.8 1.8 -10.0 221 221 A F H X S+ 0 0 0 -4,-2.3 4,-2.0 1,-0.2 -1,-0.2 0.946 105.1 47.1 -66.6 -44.5 15.6 -0.4 -7.4 222 222 A V H X S+ 0 0 0 -4,-1.7 4,-2.4 1,-0.2 -1,-0.2 0.866 109.6 54.6 -69.2 -32.1 18.5 -1.2 -9.8 223 223 A K H X S+ 0 0 114 -4,-1.6 4,-2.3 2,-0.2 -1,-0.2 0.935 107.4 49.6 -62.7 -43.3 18.8 2.5 -10.7 224 224 A A H X S+ 0 0 0 -4,-2.3 4,-1.4 2,-0.2 5,-0.4 0.882 110.2 50.9 -60.1 -40.4 19.2 3.4 -7.0 225 225 A I H < S+ 0 0 1 -4,-2.0 3,-0.3 1,-0.2 -1,-0.2 0.917 110.5 49.3 -64.3 -38.7 21.9 0.7 -6.7 226 226 A E H < S+ 0 0 53 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.826 104.6 58.5 -72.0 -29.6 23.6 2.2 -9.8 227 227 A A H < S- 0 0 48 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.848 86.8-167.5 -64.8 -30.9 23.3 5.6 -8.2 228 228 A N < + 0 0 51 -4,-1.4 2,-0.7 -3,-0.3 -3,-0.1 0.880 15.3 170.0 48.6 53.1 25.3 4.2 -5.2 229 229 A K > - 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