==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 03-SEP-08 3EDM . COMPND 2 MOLECULE: SHORT CHAIN DEHYDROGENASE; . SOURCE 2 ORGANISM_SCIENTIFIC: AGROBACTERIUM TUMEFACIENS STR.; . AUTHOR J.B.BONANNO,M.RUTTER,K.T.BAIN,S.CHANG,R.ROMERO,S.WASSERMAN, . 880 9 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 30212.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 691 78.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 143 16.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 0 0.0 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 . 70 8.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 86 9.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 334 38.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 17 1.9 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 0 4 0 0 0 0 4 7 9 0 0 4 0 0 0 0 0 4 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 3 0 2 10 11 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 PARALLEL BRIDGES PER LADDER . 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 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 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 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 2 A Q > 0 0 111 0, 0.0 3,-0.8 0, 0.0 27,-0.1 0.000 360.0 360.0 360.0 -16.4 55.8 12.3 49.9 2 3 A R T 3 + 0 0 70 1,-0.2 206,-0.2 205,-0.0 27,-0.1 0.857 360.0 27.3 -64.1 -32.5 53.0 14.8 49.1 3 4 A F T > S+ 0 0 0 25,-2.5 3,-2.3 22,-0.1 -1,-0.2 0.123 79.6 149.4-119.0 22.7 55.4 17.7 48.6 4 5 A T T < S+ 0 0 79 -3,-0.8 26,-0.2 1,-0.3 3,-0.1 -0.348 83.5 0.3 -58.7 124.8 58.6 15.9 47.4 5 6 A N T 3 S+ 0 0 128 24,-0.9 2,-0.4 1,-0.2 -1,-0.3 0.815 102.8 126.8 60.0 31.2 60.3 18.3 45.1 6 7 A R < - 0 0 56 -3,-2.3 25,-3.1 23,-0.3 2,-0.6 -0.949 55.0-137.5-114.4 143.0 57.7 21.0 45.4 7 8 A T E -a 31 0A 1 -2,-0.4 78,-2.5 76,-0.4 79,-1.7 -0.903 21.4-171.0-101.9 122.9 58.7 24.5 46.4 8 9 A I E -ab 32 86A 1 23,-2.6 25,-2.5 -2,-0.6 2,-0.6 -0.961 10.0-156.5-118.6 122.7 56.3 26.1 49.0 9 10 A V E -ab 33 87A 3 77,-3.5 79,-3.4 -2,-0.5 2,-0.7 -0.908 4.9-165.9-102.6 120.8 56.6 29.8 49.9 10 11 A V E > -ab 34 88A 0 23,-3.2 25,-2.0 -2,-0.6 2,-0.7 -0.907 8.2-164.5-106.9 102.8 55.1 30.6 53.3 11 12 A A E 3 +ab 35 89A 2 77,-2.3 79,-2.6 -2,-0.7 80,-1.1 -0.812 69.4 31.8 -98.6 112.0 54.7 34.4 53.6 12 13 A G T > + 0 0 8 -2,-0.7 3,-2.3 23,-0.5 6,-0.5 0.569 57.6 152.0 116.0 21.4 54.1 35.6 57.1 13 14 A A T < + 0 0 0 22,-1.6 30,-0.2 -3,-0.6 23,-0.2 0.428 59.3 89.5 -66.2 4.9 56.1 33.2 59.3 14 15 A G T 3 S+ 0 0 36 21,-0.2 26,-0.3 28,-0.1 -1,-0.3 0.589 85.1 70.2 -62.6 -12.3 56.5 36.1 61.7 15 16 A R S X> S- 0 0 45 -3,-2.3 4,-1.7 25,-0.1 3,-0.9 -0.789 95.3-118.0-105.7 153.1 53.2 34.6 62.9 16 17 A D H 3> S+ 0 0 85 -2,-0.3 4,-2.3 1,-0.2 5,-0.1 0.857 112.9 60.2 -54.1 -39.0 52.7 31.3 64.8 17 18 A I H 3> S+ 0 0 3 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.843 103.4 51.0 -60.6 -33.6 50.6 29.9 61.9 18 19 A G H <> S+ 0 0 0 -3,-0.9 4,-3.2 -6,-0.5 5,-0.3 0.890 105.9 55.1 -73.4 -36.1 53.5 30.3 59.5 19 20 A R H X S+ 0 0 36 -4,-1.7 4,-2.2 -7,-0.2 5,-0.2 0.968 112.1 44.7 -52.7 -49.7 55.7 28.5 62.0 20 21 A A H X S+ 0 0 1 -4,-2.3 4,-2.4 1,-0.2 -2,-0.2 0.921 115.9 45.2 -65.9 -44.5 53.2 25.6 61.9 21 22 A C H X S+ 0 0 0 -4,-2.7 4,-2.4 2,-0.2 5,-0.2 0.901 111.1 53.4 -65.7 -40.6 52.8 25.7 58.1 22 23 A A H X S+ 0 0 0 -4,-3.2 4,-1.6 1,-0.2 -2,-0.2 0.937 113.2 42.3 -63.5 -46.4 56.5 25.9 57.4 23 24 A I H X S+ 0 0 19 -4,-2.2 4,-2.9 -5,-0.3 5,-0.2 0.926 112.8 54.7 -64.2 -44.6 57.2 22.8 59.6 24 25 A R H X S+ 0 0 64 -4,-2.4 4,-1.2 -5,-0.2 -2,-0.2 0.940 109.0 46.2 -53.9 -53.1 54.2 20.9 58.1 25 26 A F H <>S+ 0 0 0 -4,-2.4 5,-2.3 1,-0.2 3,-0.3 0.898 112.4 50.4 -59.2 -40.9 55.3 21.3 54.5 26 27 A A H ><5S+ 0 0 15 -4,-1.6 3,-1.9 -5,-0.2 -1,-0.2 0.908 105.8 56.0 -67.0 -39.9 58.9 20.4 55.3 27 28 A Q H 3<5S+ 0 0 122 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.762 106.7 53.0 -58.0 -27.4 57.7 17.2 57.1 28 29 A E T 3<5S- 0 0 31 -4,-1.2 -25,-2.5 -3,-0.3 -1,-0.3 0.262 127.8 -98.0 -95.3 10.6 55.9 16.4 53.9 29 30 A G T < 5S+ 0 0 35 -3,-1.9 -24,-0.9 1,-0.2 -23,-0.3 0.385 72.2 147.2 102.5 1.5 59.1 16.8 51.7 30 31 A A < - 0 0 10 -5,-2.3 2,-0.7 -26,-0.2 -1,-0.2 -0.150 55.4-118.4 -69.5 162.2 58.7 20.3 50.4 31 32 A N E -a 7 0A 49 -25,-3.1 -23,-2.6 -28,-0.2 2,-0.5 -0.923 44.2-149.4 -94.1 111.2 61.4 22.9 49.7 32 33 A V E +a 8 0A 3 -2,-0.7 26,-2.7 24,-0.3 2,-0.5 -0.737 26.1 179.1-100.8 130.6 60.4 25.6 52.1 33 34 A V E -ac 9 58A 0 -25,-2.5 -23,-3.2 -2,-0.5 2,-0.4 -0.991 12.9-178.9-116.4 130.1 60.8 29.3 51.8 34 35 A L E -ac 10 59A 0 24,-2.4 26,-2.4 -2,-0.5 2,-0.3 -0.997 13.5-154.1-133.3 135.4 59.5 31.3 54.7 35 36 A T E -ac 11 60A 3 -25,-2.0 -22,-1.6 -2,-0.4 -23,-0.5 -0.712 16.7-173.6 -99.7 158.7 59.5 35.0 55.1 36 37 A Y E + c 0 61A 77 24,-1.6 26,-2.7 -2,-0.3 2,-0.3 -0.995 14.2 179.6-149.1 154.7 59.4 36.7 58.5 37 38 A N + 0 0 67 -2,-0.3 3,-0.4 24,-0.2 2,-0.1 -0.941 55.2 26.4-147.1 164.1 59.1 40.1 60.1 38 39 A G S S- 0 0 65 -2,-0.3 -23,-0.1 1,-0.2 -2,-0.0 -0.430 123.4 -27.1 79.3-158.3 59.0 41.2 63.8 39 40 A A S S- 0 0 84 -2,-0.1 -1,-0.2 -25,-0.1 -25,-0.0 0.874 76.6-167.4 -61.7 -34.7 60.7 39.3 66.6 40 41 A A > + 0 0 15 -3,-0.4 4,-1.6 -26,-0.3 5,-0.1 0.839 33.6 145.2 54.4 37.0 60.1 36.2 64.4 41 42 A E H > S+ 0 0 151 2,-0.2 4,-2.0 1,-0.2 5,-0.1 0.816 72.1 56.6 -73.7 -31.5 60.9 33.7 67.2 42 43 A G H > S+ 0 0 21 -28,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.900 106.0 50.6 -61.1 -41.1 58.3 31.4 65.7 43 44 A A H > S+ 0 0 3 -30,-0.2 4,-2.5 2,-0.2 -2,-0.2 0.897 107.0 53.8 -62.5 -41.6 60.3 31.6 62.4 44 45 A A H X S+ 0 0 62 -4,-1.6 4,-2.3 1,-0.2 -1,-0.2 0.869 108.3 50.4 -61.5 -41.9 63.5 30.7 64.2 45 46 A T H X S+ 0 0 68 -4,-2.0 4,-2.7 2,-0.2 5,-0.2 0.916 108.9 50.6 -59.4 -49.0 61.8 27.6 65.7 46 47 A A H X S+ 0 0 0 -4,-2.1 4,-3.0 2,-0.2 -2,-0.2 0.925 111.1 50.0 -53.9 -43.8 60.6 26.5 62.2 47 48 A V H X S+ 0 0 45 -4,-2.5 4,-2.3 1,-0.2 10,-0.2 0.966 113.9 42.9 -65.0 -47.4 64.1 26.9 60.9 48 49 A A H X S+ 0 0 51 -4,-2.3 4,-1.4 1,-0.2 -1,-0.2 0.852 115.6 49.9 -66.7 -36.7 65.7 24.8 63.7 49 50 A E H < S+ 0 0 76 -4,-2.7 4,-0.5 -5,-0.2 -1,-0.2 0.917 110.2 51.2 -66.2 -40.6 62.9 22.2 63.5 50 51 A I H ><>S+ 0 0 3 -4,-3.0 3,-2.0 -5,-0.2 5,-0.8 0.937 105.7 53.9 -63.2 -46.8 63.3 22.0 59.7 51 52 A E H ><5S+ 0 0 101 -4,-2.3 3,-2.5 1,-0.3 -1,-0.2 0.886 99.5 64.3 -51.4 -41.2 67.1 21.4 60.0 52 53 A K T 3<5S+ 0 0 152 -4,-1.4 -1,-0.3 1,-0.3 -2,-0.2 0.741 94.8 59.3 -59.6 -16.4 66.3 18.6 62.3 53 54 A L T < 5S- 0 0 90 -3,-2.0 -1,-0.3 -4,-0.5 -2,-0.2 0.395 120.3-111.4 -90.7 2.9 64.6 16.8 59.3 54 55 A G T < 5S+ 0 0 71 -3,-2.5 -3,-0.2 1,-0.4 2,-0.2 0.294 90.2 90.6 89.6 -16.3 67.9 16.9 57.6 55 56 A R S - 0 0 51 -2,-0.3 3,-2.0 1,-0.1 6,-0.2 -0.841 25.2-150.5 -79.7 113.8 57.9 43.2 55.7 64 65 A L T 3 S+ 0 0 12 -2,-0.7 57,-0.2 1,-0.3 58,-0.2 0.477 91.1 67.5 -79.0 0.7 55.2 42.0 53.3 65 66 A T T 3 S+ 0 0 45 56,-0.1 2,-0.6 1,-0.0 -1,-0.3 0.360 86.5 85.8 -87.4 4.8 53.7 45.5 53.2 66 67 A N <> - 0 0 59 -3,-2.0 4,-2.4 1,-0.2 5,-0.2 -0.914 67.3-157.2-111.4 111.0 56.9 46.6 51.4 67 68 A A H > S+ 0 0 31 -2,-0.6 4,-2.3 1,-0.2 -1,-0.2 0.873 92.8 50.4 -58.3 -38.4 56.8 46.0 47.6 68 69 A A H > S+ 0 0 64 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.911 111.2 46.7 -65.2 -42.4 60.6 45.9 47.3 69 70 A E H > S+ 0 0 62 -6,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.850 110.3 55.3 -71.9 -26.8 61.0 43.4 50.1 70 71 A V H X S+ 0 0 2 -4,-2.4 4,-2.3 -7,-0.2 -2,-0.2 0.937 108.8 47.1 -66.4 -44.2 58.3 41.3 48.6 71 72 A E H X S+ 0 0 105 -4,-2.3 4,-2.6 1,-0.2 5,-0.2 0.944 110.2 52.3 -63.5 -47.0 60.2 41.3 45.3 72 73 A A H X S+ 0 0 62 -4,-2.7 4,-2.6 2,-0.2 5,-0.2 0.948 110.7 47.9 -48.8 -48.6 63.5 40.3 46.9 73 74 A A H X S+ 0 0 4 -4,-2.0 4,-1.9 1,-0.2 -2,-0.2 0.913 112.8 47.4 -67.3 -40.9 61.9 37.4 48.8 74 75 A I H X S+ 0 0 5 -4,-2.3 4,-2.5 2,-0.2 -1,-0.2 0.921 112.8 49.2 -64.2 -41.6 60.2 36.1 45.7 75 76 A S H X S+ 0 0 48 -4,-2.6 4,-3.4 2,-0.2 -2,-0.2 0.928 109.8 50.3 -64.6 -47.7 63.4 36.4 43.6 76 77 A A H X S+ 0 0 33 -4,-2.6 4,-2.4 -5,-0.2 -1,-0.2 0.883 111.3 50.1 -57.7 -39.2 65.6 34.6 46.1 77 78 A A H X S+ 0 0 0 -4,-1.9 4,-2.6 -5,-0.2 5,-0.5 0.933 112.9 45.5 -64.4 -47.6 63.0 31.8 46.3 78 79 A A H X S+ 0 0 19 -4,-2.5 4,-2.2 1,-0.2 -2,-0.2 0.932 112.5 52.6 -62.5 -44.9 62.9 31.5 42.5 79 80 A D H < S+ 0 0 135 -4,-3.4 -2,-0.2 1,-0.2 -1,-0.2 0.928 115.5 39.4 -51.3 -54.3 66.7 31.6 42.4 80 81 A K H < S+ 0 0 124 -4,-2.4 -2,-0.2 -5,-0.2 -1,-0.2 0.925 134.0 13.0 -67.4 -48.4 67.2 28.8 44.9 81 82 A F H < S- 0 0 55 -4,-2.6 2,-0.4 1,-0.3 -3,-0.2 0.556 87.7-138.5-116.9 -9.3 64.5 26.4 44.0 82 83 A G < + 0 0 39 -4,-2.2 -1,-0.3 -5,-0.5 2,-0.1 -0.733 69.8 34.0 93.4-132.5 63.0 27.3 40.6 83 84 A E S S- 0 0 112 -2,-0.4 2,-0.5 47,-0.1 -76,-0.4 -0.392 75.7-130.1 -63.3 133.1 59.3 27.1 39.9 84 85 A I E + d 0 130A 0 45,-2.5 47,-3.0 42,-0.2 -76,-0.2 -0.772 25.6 178.5 -83.6 123.4 57.0 28.0 42.9 85 86 A H E + 0 0 43 -78,-2.5 50,-2.6 -2,-0.5 2,-0.4 0.708 66.6 23.8 -95.8 -27.2 54.4 25.3 43.4 86 87 A G E -bd 8 135A 1 -79,-1.7 -77,-3.5 48,-0.2 2,-0.5 -0.999 52.2-172.1-145.9 132.2 52.7 26.8 46.5 87 88 A L E -bd 9 136A 1 48,-2.3 50,-2.4 -2,-0.4 2,-0.6 -0.990 9.5-172.0-120.8 122.1 52.3 30.2 48.0 88 89 A V E -bd 10 137A 2 -79,-3.4 -77,-2.3 -2,-0.5 2,-0.8 -0.946 7.2-161.0-111.8 110.0 50.6 30.2 51.4 89 90 A H E +b 11 0A 4 48,-2.3 50,-0.5 -2,-0.6 -77,-0.2 -0.795 27.9 152.2 -95.2 109.5 49.9 33.8 52.6 90 91 A V + 0 0 0 -79,-2.6 -78,-0.2 -2,-0.8 -1,-0.1 0.355 28.2 123.0-120.1 3.7 49.4 33.9 56.3 91 92 A A + 0 0 9 -80,-1.1 2,-0.3 -74,-0.1 48,-0.2 -0.240 43.5 71.6 -62.2 156.2 50.5 37.4 57.1 92 93 A G + 0 0 11 -80,-0.1 2,-0.2 26,-0.0 3,-0.1 -0.876 45.0 172.5 135.2-162.6 47.9 39.6 58.9 93 94 A G - 0 0 8 -2,-0.3 3,-0.1 18,-0.1 22,-0.1 -0.749 49.3 -80.2 140.2 173.7 46.4 39.7 62.4 94 95 A L - 0 0 25 -2,-0.2 2,-2.4 1,-0.2 61,-0.2 0.811 44.0-168.4 -75.4 -30.7 44.1 41.7 64.6 95 96 A I - 0 0 77 -3,-0.1 2,-0.3 16,-0.1 -1,-0.2 -0.470 64.7 -20.8 65.7 -68.0 46.8 44.3 65.6 96 97 A A - 0 0 37 -2,-2.4 2,-0.7 55,-0.1 59,-0.2 -0.974 65.1-106.2-155.8 161.5 44.6 45.7 68.4 97 98 A R + 0 0 104 -2,-0.3 2,-0.3 55,-0.1 55,-0.2 -0.802 52.0 152.1 -86.3 117.0 41.0 45.8 69.5 98 99 A K - 0 0 69 53,-2.4 55,-0.3 -2,-0.7 56,-0.3 -0.971 39.6-127.8-145.3 133.5 39.6 49.3 68.9 99 100 A T > - 0 0 53 -2,-0.3 4,-1.9 1,-0.1 3,-0.2 -0.144 41.4 -99.6 -63.0 165.6 36.1 50.7 68.3 100 101 A I T 4 S+ 0 0 6 1,-0.2 -1,-0.1 2,-0.2 697,-0.0 0.868 126.5 55.1 -61.6 -31.3 35.6 53.0 65.3 101 102 A A T 4 S+ 0 0 74 1,-0.2 -1,-0.2 699,-0.0 696,-0.0 0.896 110.7 45.2 -68.8 -32.4 35.8 56.0 67.6 102 103 A E T 4 S+ 0 0 123 -3,-0.2 2,-0.2 2,-0.0 -2,-0.2 0.750 98.4 88.1 -81.2 -25.7 39.2 54.8 69.0 103 104 A M < - 0 0 2 -4,-1.9 2,-0.3 4,-0.1 -4,-0.0 -0.544 60.3-161.9 -74.2 137.4 40.6 54.0 65.5 104 105 A D >> - 0 0 95 -2,-0.2 4,-2.2 1,-0.0 3,-0.7 -0.727 38.2 -98.8-108.1 168.4 42.4 56.7 63.5 105 106 A E H 3> S+ 0 0 61 -2,-0.3 4,-1.9 1,-0.3 5,-0.1 0.795 123.1 54.2 -59.1 -30.6 43.0 56.5 59.8 106 107 A A H 3> S+ 0 0 69 2,-0.2 4,-1.8 1,-0.2 -1,-0.3 0.837 106.7 52.2 -73.8 -31.5 46.6 55.3 60.3 107 108 A F H <> S+ 0 0 15 -3,-0.7 4,-2.3 2,-0.2 5,-0.2 0.956 107.4 53.4 -63.2 -45.3 45.3 52.4 62.5 108 109 A W H X S+ 0 0 1 -4,-2.2 4,-2.8 1,-0.2 -2,-0.2 0.925 111.8 44.4 -50.7 -51.9 42.8 51.5 59.7 109 110 A H H X S+ 0 0 45 -4,-1.9 4,-2.8 2,-0.2 5,-0.3 0.817 108.0 57.2 -69.5 -32.2 45.6 51.3 57.1 110 111 A Q H X S+ 0 0 105 -4,-1.8 4,-2.3 2,-0.2 5,-0.3 0.966 112.2 41.6 -62.8 -49.5 48.0 49.4 59.3 111 112 A V H X S+ 0 0 0 -4,-2.3 4,-2.3 2,-0.2 5,-0.3 0.964 118.7 45.1 -60.0 -49.3 45.4 46.6 59.7 112 113 A L H X>S+ 0 0 9 -4,-2.8 4,-2.7 -5,-0.2 5,-1.8 0.896 114.3 49.3 -66.4 -38.3 44.3 46.6 56.1 113 114 A D H <>S+ 0 0 41 -4,-2.8 5,-2.1 3,-0.2 -1,-0.2 0.911 113.2 44.4 -65.2 -43.8 47.9 46.8 54.8 114 115 A V H <5S+ 0 0 38 -4,-2.3 -2,-0.2 -5,-0.3 -1,-0.2 0.895 125.9 31.7 -71.8 -35.9 49.2 43.9 56.9 115 116 A N H <5S+ 0 0 1 -4,-2.3 -2,-0.2 -5,-0.3 -3,-0.2 0.824 137.3 11.7 -85.9 -40.0 46.2 41.7 56.2 116 117 A L T >X5S+ 0 0 1 -4,-2.7 4,-1.9 -5,-0.3 3,-0.6 0.849 121.9 50.6-111.4 -58.5 45.1 42.6 52.7 117 118 A T H 3> S+ 0 0 1 -3,-0.6 4,-2.4 2,-0.2 5,-0.3 0.901 108.5 49.9 -63.1 -43.4 48.2 39.6 50.0 120 121 A F H X S+ 0 0 0 -4,-1.9 4,-2.5 1,-0.2 -2,-0.2 0.946 113.7 45.9 -59.7 -47.7 47.9 41.7 46.9 121 122 A L H X S+ 0 0 7 -4,-2.5 4,-2.5 1,-0.2 5,-0.2 0.890 115.2 44.1 -64.9 -44.4 51.7 42.3 46.7 122 123 A T H X S+ 0 0 2 -4,-2.4 4,-3.1 2,-0.2 5,-0.2 0.927 116.0 44.9 -77.4 -39.9 52.8 38.8 47.3 123 124 A A H X S+ 0 0 0 -4,-2.4 4,-2.3 -5,-0.2 -2,-0.2 0.950 114.9 50.8 -64.1 -43.1 50.3 37.1 45.0 124 125 A K H < S+ 0 0 60 -4,-2.5 -2,-0.2 -5,-0.3 -1,-0.2 0.913 116.2 40.4 -60.3 -42.8 51.1 39.7 42.3 125 126 A T H < S+ 0 0 25 -4,-2.5 4,-0.4 -5,-0.2 -1,-0.2 0.903 117.0 47.4 -73.7 -40.9 54.8 39.1 42.7 126 127 A A H >< S+ 0 0 0 -4,-3.1 3,-1.5 -5,-0.2 4,-0.4 0.832 92.2 79.5 -70.3 -32.7 54.7 35.4 43.0 127 128 A L G >< S+ 0 0 23 -4,-2.3 3,-1.6 1,-0.3 -1,-0.2 0.842 89.4 50.9 -50.9 -46.0 52.3 34.7 40.1 128 129 A P G 3 S+ 0 0 103 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.807 112.2 50.3 -64.9 -22.7 54.9 34.9 37.2 129 130 A K G < S+ 0 0 78 -3,-1.5 -45,-2.5 -4,-0.4 2,-0.2 0.353 89.2 110.8 -90.8 4.6 57.2 32.5 39.0 130 131 A M E < -d 84 0A 1 -3,-1.6 -45,-0.2 -4,-0.4 3,-0.1 -0.559 65.0-120.6 -91.2 148.8 54.6 29.9 39.7 131 132 A A E > - 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0 0 4 -47,-2.7 3,-2.2 -2,-0.3 2,-0.1 -0.522 38.5 -96.3 -72.0 143.3 31.9 4.5 65.7 589 133 C K E 3 S+ 0 0 179 1,-0.3 45,-0.1 -2,-0.2 -1,-0.1 -0.405 118.7 32.7 -50.6 130.8 33.0 7.4 67.9 590 134 C G E 3 S+ 0 0 38 43,-2.5 -1,-0.3 1,-0.2 44,-0.2 0.424 93.7 141.3 92.5 -1.1 35.0 9.6 65.6 591 135 C G E < - 0 0 2 -3,-2.2 44,-2.0 42,-0.3 2,-0.3 -0.008 36.6-145.3 -67.8 178.2 32.9 8.6 62.6 592 136 C A E -st 543 635F 1 -50,-1.9 -48,-2.0 42,-0.2 2,-0.4 -0.996 11.4-150.7-155.2 139.2 31.8 11.0 59.8 593 137 C I E -st 544 636F 0 42,-3.1 44,-1.7 -2,-0.3 2,-0.4 -0.868 12.2-168.3-107.7 143.1 28.9 11.7 57.5 594 138 C V E -st 545 637F 0 -50,-2.2 -48,-2.2 -2,-0.4 44,-0.2 -0.968 9.2-178.2-133.7 121.3 29.4 13.3 54.1 595 139 C T E - t 0 638F 0 42,-2.3 44,-2.4 -2,-0.4 2,-0.6 -0.529 25.4-115.4-111.3 174.8 26.4 14.6 52.1 596 140 C F E + t 0 639F 11 -50,-0.4 44,-0.2 42,-0.2 2,-0.1 -0.911 32.8 169.4-123.5 107.1 26.1 16.2 48.6 597 141 C S - 0 0 6 42,-2.2 2,-0.3 -2,-0.6 20,-0.1 -0.244 17.7-149.8 -95.7-162.6 24.9 19.7 48.3 598 142 C S >> - 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0 0 18 42,-0.2 3,-0.8 18,-0.2 4,-0.8 -0.995 30.2-110.8-164.6 156.0 27.6 44.4 45.2 815 143 D Q H >> S+ 0 0 93 42,-0.5 4,-2.4 -2,-0.3 3,-0.8 0.848 116.8 65.4 -62.4 -31.9 27.2 41.0 43.7 816 144 D A H 3> S+ 0 0 14 1,-0.3 4,-2.2 2,-0.2 -1,-0.2 0.822 94.4 59.1 -57.0 -36.2 31.0 41.3 42.8 817 145 D G H <4 S+ 0 0 7 -3,-0.8 -1,-0.3 2,-0.2 -2,-0.2 0.833 110.8 42.1 -60.2 -32.2 31.6 41.2 46.6 818 146 D R H << S+ 0 0 89 -3,-0.8 -2,-0.2 -4,-0.8 -1,-0.2 0.862 127.6 26.5 -83.2 -41.3 29.9 37.8 46.8 819 147 D D H < S- 0 0 60 -4,-2.4 -3,-0.2 -652,-0.0 -2,-0.2 0.527 108.7-103.0-106.3 -3.4 31.3 36.2 43.7 820 148 D G < - 0 0 1 -4,-2.2 9,-0.2 -5,-0.3 10,-0.2 0.327 58.8-106.7 98.0 -9.5 34.7 37.9 43.1 821 149 D G - 0 0 6 -6,-0.3 3,-0.1 8,-0.1 5,-0.1 -0.037 41.9 -62.6 84.0 174.8 33.5 40.1 40.2 822 150 D G S > S- 0 0 35 1,-0.2 3,-2.8 3,-0.1 7,-0.1 -0.393 76.2 -43.3 -96.4 177.7 34.1 40.0 36.5 823 151 D P T 3 S+ 0 0 119 0, 0.0 -1,-0.2 0, 0.0 -51,-0.1 -0.043 126.7 1.6 -40.5 123.4 37.2 40.3 34.2 824 152 D G T 3 S+ 0 0 12 -54,-0.1 -53,-2.3 -3,-0.1 3,-0.3 0.400 103.8 101.3 79.7 -1.0 39.5 43.1 35.5 825 153 D A <> + 0 0 6 -3,-2.8 4,-3.0 -55,-0.2 5,-0.3 0.144 37.0 120.8-104.9 24.7 37.4 44.1 38.5 826 154 D L H > S+ 0 0 4 -55,-0.4 4,-2.2 1,-0.2 -1,-0.2 0.879 75.8 46.8 -56.1 -47.5 39.4 42.4 41.2 827 155 D A H > S+ 0 0 4 -56,-0.3 4,-1.7 -3,-0.3 -1,-0.2 0.852 114.9 46.6 -65.7 -37.3 40.2 45.5 43.3 828 156 D Y H > S+ 0 0 53 -3,-0.2 4,-1.8 2,-0.2 -2,-0.2 0.951 111.7 49.6 -72.1 -48.6 36.6 46.7 43.1 829 157 D A H X S+ 0 0 0 -4,-3.0 4,-2.0 1,-0.2 3,-0.2 0.923 110.5 52.8 -50.7 -47.1 35.1 43.3 44.0 830 158 D T H X S+ 0 0 0 -4,-2.2 4,-2.2 -5,-0.3 -1,-0.2 0.912 108.5 48.9 -58.9 -43.4 37.5 43.1 47.0 831 159 D S H X S+ 0 0 0 -4,-1.7 4,-1.7 1,-0.2 -1,-0.2 0.805 110.0 51.3 -70.1 -29.3 36.5 46.5 48.3 832 160 D K H X S+ 0 0 11 -4,-1.8 4,-2.0 -3,-0.2 -1,-0.2 0.837 107.9 51.3 -75.5 -33.6 32.8 45.7 48.1 833 161 D G H X S+ 0 0 5 -4,-2.0 4,-2.5 2,-0.2 -2,-0.2 0.938 110.8 50.3 -68.0 -43.6 33.3 42.4 50.0 834 162 D A H X S+ 0 0 0 -4,-2.2 4,-3.1 1,-0.2 -2,-0.2 0.866 108.1 52.4 -53.5 -44.2 35.1 44.5 52.6 835 163 D V H X S+ 0 0 1 -4,-1.7 4,-2.2 2,-0.2 -1,-0.2 0.880 108.3 51.9 -65.2 -38.0 32.2 46.9 52.7 836 164 D M H X S+ 0 0 12 -4,-2.0 4,-1.6 2,-0.2 -2,-0.2 0.962 113.3 42.5 -63.3 -50.4 29.8 44.0 53.3 837 165 D T H X S+ 0 0 5 -4,-2.5 4,-2.4 1,-0.2 -2,-0.2 0.931 113.7 52.7 -61.5 -44.0 31.9 42.7 56.2 838 166 D F H X S+ 0 0 0 -4,-3.1 4,-3.5 1,-0.2 5,-0.3 0.903 105.2 55.6 -55.1 -42.8 32.4 46.2 57.6 839 167 D T H X S+ 0 0 0 -4,-2.2 4,-2.1 1,-0.2 -1,-0.2 0.923 111.1 43.2 -59.9 -45.4 28.6 46.8 57.5 840 168 D R H X S+ 0 0 72 -4,-1.6 4,-1.5 2,-0.2 -1,-0.2 0.884 115.3 48.9 -67.2 -42.8 27.9 43.7 59.7 841 169 D G H X S+ 0 0 6 -4,-2.4 4,-1.6 2,-0.2 -2,-0.2 0.934 112.2 47.3 -62.3 -48.2 30.7 44.5 62.1 842 170 D L H X S+ 0 0 0 -4,-3.5 4,-3.0 1,-0.2 5,-0.3 0.905 106.0 60.6 -62.7 -38.3 29.7 48.1 62.5 843 171 D A H X S+ 0 0 6 -4,-2.1 4,-1.3 -5,-0.3 -1,-0.2 0.924 108.9 41.8 -48.4 -53.7 26.0 47.0 63.0 844 172 D K H < S+ 0 0 119 -4,-1.5 -1,-0.2 1,-0.2 -2,-0.2 0.835 115.6 51.9 -64.4 -37.3 27.0 45.0 66.1 845 173 D E H < S+ 0 0 55 -4,-1.6 -2,-0.2 1,-0.2 -1,-0.2 0.908 119.3 29.8 -72.8 -42.1 29.4 47.7 67.3 846 174 D V H X S+ 0 0 25 -4,-3.0 4,-2.1 -5,-0.1 -1,-0.2 0.470 97.4 135.7-102.7 -0.3 27.0 50.7 67.2 847 175 D G T < + 0 0 29 -4,-1.3 4,-0.1 -5,-0.3 33,-0.0 -0.515 48.3 32.8 -82.0 164.0 23.5 49.2 67.9 848 176 D P T 4 S+ 0 0 103 0, 0.0 -1,-0.2 0, 0.0 -42,-0.1 -0.996 127.2 46.0 -80.4 -14.9 20.9 49.4 69.3 849 177 D K T 4 S+ 0 0 102 1,-0.2 -43,-2.1 -3,-0.1 2,-0.4 0.900 122.9 28.2 -54.7 -48.2 21.4 53.1 69.0 850 178 D I S < S- 0 0 4 -4,-2.1 2,-0.3 -7,-0.2 -42,-0.2 -0.968 71.9-147.1-125.5 132.0 22.4 53.1 65.3 851 179 D R E -z 808 0G 13 -44,-1.9 -42,-2.8 -2,-0.4 2,-0.4 -0.712 11.2-165.1 -94.5 146.1 21.4 50.6 62.6 852 180 D V E +z 809 0G 0 -2,-0.3 29,-3.3 -44,-0.2 30,-0.3 -0.964 16.4 157.6-137.6 124.4 23.7 49.7 59.7 853 181 D N E -z 810 0G 0 -44,-1.8 -42,-2.2 -2,-0.4 2,-0.4 -0.935 26.9-136.1-144.1 156.2 22.7 47.9 56.5 854 182 D A E -za 811 883G 0 28,-2.7 30,-2.7 -2,-0.3 2,-0.4 -0.867 6.5-147.6-114.8 143.4 23.9 47.5 52.9 855 183 D V E -za 812 884G 0 -44,-2.5 -42,-2.8 -2,-0.4 30,-0.2 -0.918 9.0-155.7-101.7 143.9 22.0 47.6 49.7 856 184 D C E a 0 885G 5 28,-2.4 30,-2.0 -2,-0.4 -42,-0.2 -0.843 360.0 360.0-120.3 88.2 23.3 45.3 47.0 857 185 D P 0 0 54 0, 0.0 -42,-0.5 0, 0.0 30,-0.2 -0.223 360.0 360.0 -74.8 360.0 22.2 46.8 43.6 858 ! 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 0.0 859 215 D G 0 0 56 0, 0.0 2,-0.1 0, 0.0 29,-0.1 0.000 360.0 360.0 360.0 138.0 15.5 48.7 37.9 860 216 D S > - 0 0 43 28,-0.2 4,-1.9 27,-0.0 3,-0.4 -0.463 360.0 -92.7-106.5 179.1 16.3 52.4 37.9 861 217 D S H > S+ 0 0 27 1,-0.2 4,-1.9 2,-0.2 5,-0.1 0.820 125.3 53.8 -59.1 -34.5 18.1 54.8 40.3 862 218 D E H > S+ 0 0 121 2,-0.2 4,-1.4 1,-0.2 -1,-0.2 0.763 103.8 55.1 -78.8 -21.9 14.8 55.7 41.9 863 219 D D H > S+ 0 0 38 -3,-0.4 4,-1.7 2,-0.2 3,-0.4 0.950 108.6 48.8 -68.1 -46.4 14.0 52.0 42.6 864 220 D V H X S+ 0 0 0 -4,-1.9 4,-2.2 1,-0.2 -2,-0.2 0.920 109.0 53.6 -56.8 -44.4 17.3 51.7 44.4 865 221 D A H X S+ 0 0 1 -4,-1.9 4,-2.4 1,-0.2 -1,-0.2 0.805 101.9 58.0 -64.7 -31.7 16.4 54.9 46.4 866 222 D G H X S+ 0 0 2 -4,-1.4 4,-2.0 -3,-0.4 -1,-0.2 0.945 109.4 45.5 -59.9 -46.2 13.0 53.4 47.5 867 223 D L H X S+ 0 0 0 -4,-1.7 4,-2.4 1,-0.2 -2,-0.2 0.933 112.5 50.2 -63.8 -47.0 15.0 50.5 49.1 868 224 D V H X S+ 0 0 0 -4,-2.2 4,-1.9 1,-0.2 -1,-0.2 0.889 109.1 51.5 -57.3 -42.6 17.5 52.9 50.7 869 225 D A H X S+ 0 0 0 -4,-2.4 4,-1.1 2,-0.2 -1,-0.2 0.894 108.4 52.6 -67.0 -36.6 14.7 55.0 52.1 870 226 D F H >< S+ 0 0 3 -4,-2.0 3,-0.8 1,-0.2 6,-0.4 0.951 110.7 46.6 -57.1 -52.4 13.1 51.9 53.6 871 227 D L H 3< S+ 0 0 1 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.815 113.6 48.0 -63.4 -29.8 16.4 50.9 55.3 872 228 D A H 3< S+ 0 0 8 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.2 0.654 103.6 81.5 -85.4 -10.9 17.0 54.4 56.6 873 229 D S S X< S- 0 0 0 -4,-1.1 3,-1.5 -3,-0.8 -197,-0.1 -0.298 92.2-109.0 -90.7 171.9 13.4 54.7 58.0 874 230 D D G > S+ 0 0 88 1,-0.3 3,-1.7 -199,-0.3 4,-0.1 0.611 108.4 83.4 -80.2 -12.3 11.8 53.4 61.2 875 231 D D G 3 S+ 0 0 72 1,-0.3 -1,-0.3 -5,-0.1 3,-0.2 0.727 97.3 43.6 -51.7 -24.5 9.9 50.9 59.0 876 232 D A G X S+ 0 0 2 -3,-1.5 3,-2.9 -6,-0.4 -1,-0.3 0.005 72.2 133.7-114.3 26.5 13.2 48.9 59.4 877 233 D A T < S+ 0 0 16 -3,-1.7 -1,-0.1 1,-0.3 -2,-0.1 0.743 79.1 42.8 -45.7 -30.6 13.7 49.5 63.1 878 234 D Y T 3 S+ 0 0 57 -3,-0.2 -428,-2.7 -4,-0.1 2,-0.6 0.228 95.0 93.7-107.2 12.7 14.5 45.8 63.6 879 235 D V < + 0 0 2 -3,-2.9 2,-0.3 -430,-0.2 -430,-0.1 -0.936 45.6 139.1-105.6 120.2 16.7 45.4 60.6 880 236 D T + 0 0 39 -2,-0.6 -27,-0.2 -29,-0.1 3,-0.1 -0.965 57.3 25.4-156.2 144.9 20.5 45.9 61.1 881 237 D G S S+ 0 0 18 -29,-3.3 2,-0.2 -2,-0.3 -28,-0.2 0.626 93.1 125.5 83.9 15.3 23.6 44.1 59.8 882 238 D A - 0 0 4 -30,-0.3 -28,-2.7 -43,-0.1 2,-0.5 -0.609 57.3-135.5-112.9 166.4 21.8 42.9 56.6 883 239 D C E -a 854 0G 18 -2,-0.2 2,-0.7 -30,-0.2 -435,-0.2 -0.987 16.1-163.2-121.4 119.6 22.2 43.0 52.9 884 240 D Y E -a 855 0G 0 -30,-2.7 -28,-2.4 -2,-0.5 2,-0.2 -0.928 13.1-148.7-109.8 113.1 19.2 43.8 50.9 885 241 D D E -a 856 0G 54 -2,-0.7 2,-0.3 -30,-0.2 -440,-0.1 -0.499 15.5-176.6 -76.8 146.1 19.5 42.9 47.2 886 242 D I - 0 0 4 -30,-2.0 2,-1.5 -2,-0.2 -444,-0.2 -0.936 29.2-130.6-147.9 124.5 17.8 44.8 44.4 887 243 D N 0 0 105 -446,-2.2 -27,-0.0 -2,-0.3 -2,-0.0 -0.554 360.0 360.0 -67.0 86.5 17.7 44.2 40.6 888 244 D G 0 0 42 -2,-1.5 -28,-0.2 -29,-0.1 -2,-0.1 -0.932 360.0 360.0 168.7 360.0 18.7 47.7 39.5