==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=19-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 04-JUL-08 3DOJ . COMPND 2 MOLECULE: DEHYDROGENASE-LIKE PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: ARABIDOPSIS THALIANA; . AUTHOR R.JORGENSEN . 292 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13675.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 232 79.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 30 10.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 8 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 . 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 . 13 4.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 38 13.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 124 42.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 9 3.1 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 2 1 1 0 1 1 1 1 1 1 1 0 1 0 0 0 0 0 0 0 0 0 0 0 1 0 RESIDUES PER ALPHA HELIX . 0 1 1 2 2 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 2 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 1 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 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 -3 A G 0 0 121 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -47.5 120.2 19.9 4.2 2 -2 A S + 0 0 114 27,-0.0 2,-0.3 2,-0.0 3,-0.1 -0.681 360.0 170.4-102.5 150.8 123.6 21.5 4.7 3 -1 A H - 0 0 106 -2,-0.3 3,-0.1 1,-0.1 25,-0.1 -0.956 38.3-129.1-146.9 160.7 127.0 20.7 3.2 4 0 A M S S+ 0 0 176 23,-0.4 2,-0.3 -2,-0.3 -1,-0.1 0.911 94.0 10.1 -75.6 -48.6 130.5 22.2 3.0 5 1 A M - 0 0 74 22,-0.4 24,-2.4 -3,-0.1 2,-0.3 -0.971 61.0-165.6-135.7 150.3 130.7 22.0 -0.8 6 2 A E E +a 29 0A 58 -2,-0.3 2,-0.3 22,-0.2 57,-0.3 -0.976 10.9 179.0-131.0 147.1 128.4 21.3 -3.8 7 3 A V E -a 30 0A 8 22,-2.4 24,-2.1 -2,-0.3 2,-0.3 -0.988 25.7-128.5-144.9 151.4 129.2 20.5 -7.4 8 4 A G E -ab 31 64A 0 55,-2.4 57,-2.8 -2,-0.3 2,-0.3 -0.675 27.7-163.0 -90.0 156.4 127.4 19.7 -10.6 9 5 A F E -ab 32 65A 0 22,-2.5 24,-1.8 -2,-0.3 2,-0.5 -0.926 7.9-165.3-149.4 122.5 128.6 16.6 -12.5 10 6 A L E +ab 33 66A 0 55,-2.7 57,-3.1 -2,-0.3 24,-0.2 -0.918 56.6 35.6-111.9 125.4 128.0 15.5 -16.1 11 7 A G - 0 0 1 22,-2.6 9,-0.2 -2,-0.5 23,-0.1 0.467 45.1-162.6 106.1 117.2 128.7 12.0 -17.3 12 8 A L + 0 0 1 4,-0.2 -1,-0.1 5,-0.1 56,-0.1 -0.158 45.6 127.1-123.7 38.1 128.2 8.7 -15.6 13 9 A G S > S- 0 0 35 54,-0.5 4,-3.0 4,-0.1 5,-0.4 0.046 85.4 -62.2 -71.9-165.0 130.3 6.3 -17.7 14 10 A I H > S+ 0 0 62 1,-0.2 4,-1.3 2,-0.2 5,-0.1 0.924 140.9 30.2 -49.0 -55.4 133.0 4.1 -16.2 15 11 A M H > S+ 0 0 33 2,-0.2 4,-2.8 1,-0.2 5,-0.2 0.895 119.1 55.1 -73.8 -40.5 135.0 7.0 -14.9 16 12 A G H > S+ 0 0 1 51,-0.2 4,-2.7 1,-0.2 5,-0.3 0.915 109.5 45.2 -61.6 -46.5 132.1 9.4 -14.4 17 13 A K H X S+ 0 0 56 -4,-3.0 4,-2.1 1,-0.2 -1,-0.2 0.911 114.8 49.3 -64.6 -42.2 130.1 7.1 -12.1 18 14 A A H X S+ 0 0 10 -4,-1.3 4,-1.5 -5,-0.4 -2,-0.2 0.913 115.3 43.4 -62.3 -43.6 133.3 6.2 -10.1 19 15 A M H X S+ 0 0 0 -4,-2.8 4,-2.0 2,-0.2 -2,-0.2 0.922 114.7 46.9 -72.5 -44.4 134.2 9.9 -9.6 20 16 A S H X S+ 0 0 0 -4,-2.7 4,-2.4 -5,-0.2 -1,-0.2 0.898 112.4 50.8 -65.1 -39.4 130.8 11.3 -8.8 21 17 A M H X S+ 0 0 12 -4,-2.1 4,-2.7 -5,-0.3 -1,-0.2 0.855 107.4 54.6 -63.7 -37.3 130.2 8.4 -6.3 22 18 A N H X S+ 0 0 16 -4,-1.5 4,-0.8 2,-0.2 -2,-0.2 0.913 108.8 48.2 -61.6 -44.2 133.5 9.2 -4.7 23 19 A L H ><>S+ 0 0 0 -4,-2.0 5,-2.3 2,-0.2 3,-0.6 0.936 112.8 47.9 -62.0 -47.8 132.4 12.8 -4.2 24 20 A L H ><5S+ 0 0 22 -4,-2.4 3,-1.5 1,-0.2 -2,-0.2 0.919 110.3 50.9 -58.3 -46.1 129.1 11.8 -2.8 25 21 A K H 3<5S+ 0 0 139 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.683 108.0 57.4 -67.5 -15.2 130.7 9.3 -0.4 26 22 A N T <<5S- 0 0 88 -4,-0.8 -1,-0.3 -3,-0.6 -2,-0.2 0.045 125.5 -93.6-107.3 25.0 133.0 12.1 0.7 27 23 A G T < 5S+ 0 0 50 -3,-1.5 -23,-0.4 1,-0.3 -22,-0.4 0.477 78.8 136.7 85.1 2.9 130.4 14.6 1.8 28 24 A F < - 0 0 15 -5,-2.3 2,-0.5 -6,-0.2 -1,-0.3 -0.612 54.7-129.5 -77.2 140.0 130.0 16.6 -1.4 29 25 A K E -a 6 0A 63 -24,-2.4 -22,-2.4 -2,-0.3 2,-0.4 -0.807 34.8-167.0 -79.5 130.3 126.5 17.5 -2.5 30 26 A V E -a 7 0A 0 -2,-0.5 19,-2.5 -24,-0.2 2,-0.5 -0.981 21.0-165.6-127.8 134.7 126.4 16.4 -6.1 31 27 A T E -ac 8 49A 0 -24,-2.1 -22,-2.5 -2,-0.4 19,-0.2 -0.982 25.7-165.8-115.6 118.5 123.8 17.2 -8.8 32 28 A V E -ac 9 50A 0 17,-2.6 19,-2.1 -2,-0.5 2,-0.3 -0.653 18.9-170.7-110.8 160.0 124.3 14.8 -11.8 33 29 A W E +a 10 0A 15 -24,-1.8 -22,-2.6 -2,-0.2 2,-0.3 -0.988 10.5 167.5-140.0 144.0 123.2 14.5 -15.4 34 30 A N - 0 0 18 -2,-0.3 6,-0.1 17,-0.3 -2,-0.0 -0.974 37.9-135.0-150.6 147.4 123.6 11.6 -17.8 35 31 A R S S+ 0 0 171 -2,-0.3 2,-0.9 1,-0.2 -1,-0.1 0.885 102.6 63.4 -69.8 -35.9 122.1 10.9 -21.3 36 32 A T S > S- 0 0 71 1,-0.2 3,-1.1 -3,-0.1 4,-0.3 -0.793 77.1-163.2 -88.4 105.4 121.5 7.3 -20.1 37 33 A L G > S+ 0 0 132 -2,-0.9 3,-2.3 1,-0.3 4,-0.4 0.836 79.8 64.4 -61.4 -41.3 119.1 7.8 -17.2 38 34 A S G > S+ 0 0 76 1,-0.3 3,-1.6 2,-0.2 4,-0.4 0.791 89.8 70.0 -57.5 -28.1 119.4 4.4 -15.5 39 35 A K G < S+ 0 0 75 -3,-1.1 4,-0.5 1,-0.3 3,-0.4 0.772 90.6 62.3 -58.5 -26.8 123.0 5.3 -14.7 40 36 A C G <> S+ 0 0 7 -3,-2.3 4,-2.6 -4,-0.3 3,-0.3 0.671 79.5 87.7 -74.2 -18.8 121.7 7.8 -12.2 41 37 A D H <> S+ 0 0 98 -3,-1.6 4,-2.1 -4,-0.4 -1,-0.2 0.911 88.5 45.2 -48.1 -55.7 120.0 5.2 -10.1 42 38 A E H > S+ 0 0 83 -4,-0.4 4,-0.6 -3,-0.4 -1,-0.2 0.833 113.7 50.0 -63.7 -33.6 123.0 4.4 -7.8 43 39 A L H >4>S+ 0 0 0 -4,-0.5 5,-2.5 -3,-0.3 3,-0.8 0.902 108.2 52.6 -70.9 -40.6 123.8 8.1 -7.3 44 40 A V H ><5S+ 0 0 74 -4,-2.6 3,-2.1 1,-0.3 -2,-0.2 0.911 104.4 56.8 -58.9 -43.3 120.2 9.0 -6.4 45 41 A E H 3<5S+ 0 0 148 -4,-2.1 -1,-0.3 1,-0.3 -2,-0.2 0.724 107.0 50.4 -62.4 -21.2 120.3 6.2 -3.8 46 42 A H T <<5S- 0 0 84 -3,-0.8 -1,-0.3 -4,-0.6 -2,-0.2 0.202 131.8 -89.3-103.7 15.3 123.4 7.9 -2.2 47 43 A G T < 5S+ 0 0 58 -3,-2.1 -3,-0.2 1,-0.3 -17,-0.2 0.472 72.5 152.3 100.0 4.0 121.7 11.3 -2.1 48 44 A A < - 0 0 9 -5,-2.5 -1,-0.3 -8,-0.1 -17,-0.2 -0.402 39.0-134.4 -68.9 140.2 122.6 12.9 -5.5 49 45 A S E -c 31 0A 41 -19,-2.5 -17,-2.6 -2,-0.1 2,-0.4 -0.534 22.3-146.7 -80.5 160.7 120.2 15.4 -7.0 50 46 A V E -c 32 0A 70 -19,-0.2 2,-0.3 -2,-0.2 -17,-0.2 -0.998 12.8-168.1-136.2 136.9 119.4 15.0 -10.7 51 47 A C - 0 0 26 -19,-2.1 -17,-0.3 -2,-0.4 6,-0.0 -0.841 27.4-126.9-118.5 161.7 118.7 17.4 -13.5 52 48 A E S S+ 0 0 160 -2,-0.3 -19,-0.1 -19,-0.1 3,-0.1 0.676 86.8 14.0 -82.2 -17.1 117.3 16.8 -17.0 53 49 A S S > S- 0 0 17 1,-0.1 4,-1.8 -20,-0.0 3,-0.2 -0.979 73.8-109.7-152.4 159.9 120.1 18.6 -18.9 54 50 A P H > S+ 0 0 7 0, 0.0 4,-2.6 0, 0.0 5,-0.2 0.888 117.9 61.2 -58.7 -37.8 123.6 20.0 -18.6 55 51 A A H > S+ 0 0 4 27,-2.2 4,-2.4 1,-0.2 5,-0.2 0.908 104.8 47.0 -54.5 -44.5 122.1 23.4 -19.0 56 52 A E H > S+ 0 0 81 26,-0.3 4,-2.2 2,-0.2 -1,-0.2 0.883 109.7 52.5 -68.3 -38.3 120.0 22.8 -15.8 57 53 A V H X S+ 0 0 0 -4,-1.8 4,-2.7 2,-0.2 -2,-0.2 0.950 111.7 46.9 -61.2 -46.7 123.0 21.5 -13.9 58 54 A I H < S+ 0 0 2 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.924 110.5 51.8 -60.0 -47.8 125.0 24.7 -14.8 59 55 A K H < S+ 0 0 123 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.903 116.9 41.1 -54.9 -41.8 122.1 27.0 -13.9 60 56 A K H < S+ 0 0 85 -4,-2.2 2,-0.4 -5,-0.2 -2,-0.2 0.864 112.5 55.0 -77.0 -37.8 121.9 25.3 -10.5 61 57 A C < - 0 0 1 -4,-2.7 32,-0.1 -5,-0.2 3,-0.1 -0.801 57.7-154.4-111.0 140.0 125.6 24.9 -9.6 62 58 A K S S+ 0 0 98 -2,-0.4 31,-3.4 1,-0.2 2,-0.5 0.890 93.1 36.9 -71.1 -41.4 128.4 27.4 -9.4 63 59 A Y E S- d 0 93A 58 -57,-0.3 -55,-2.4 29,-0.2 2,-0.4 -0.963 73.5-176.5-115.8 126.0 131.1 24.7 -10.1 64 60 A T E -bd 8 94A 1 29,-2.4 31,-3.1 -2,-0.5 2,-0.4 -0.982 9.7-157.8-127.1 132.7 130.4 21.9 -12.5 65 61 A I E -bd 9 95A 1 -57,-2.8 -55,-2.7 -2,-0.4 2,-0.4 -0.840 7.7-163.0-104.2 142.1 132.6 18.9 -13.4 66 62 A A E +bd 10 96A 0 29,-2.5 31,-3.1 -2,-0.4 32,-0.4 -0.988 14.1 176.5-126.8 135.1 132.3 16.9 -16.6 67 63 A M + 0 0 16 -57,-3.1 -54,-0.5 -2,-0.4 2,-0.2 -0.810 19.2 173.5-134.9 93.8 133.6 13.5 -17.4 68 64 A L - 0 0 21 -2,-0.3 31,-0.6 -56,-0.1 6,-0.1 -0.658 39.1-118.5-105.9 162.4 132.6 12.4 -20.9 69 65 A S S S- 0 0 75 -2,-0.2 -1,-0.1 29,-0.1 3,-0.0 0.726 85.3 -6.7 -74.1 -26.4 133.5 9.3 -22.9 70 66 A D S >> S- 0 0 44 1,-0.1 4,-2.5 172,-0.0 3,-0.5 -0.984 76.7 -89.0-164.3 167.0 135.1 11.1 -25.9 71 67 A P H 3> S+ 0 0 13 0, 0.0 4,-2.3 0, 0.0 5,-0.2 0.845 121.8 54.7 -54.8 -38.0 135.8 14.4 -27.6 72 68 A C H 3> S+ 0 0 91 1,-0.2 4,-2.4 2,-0.2 5,-0.1 0.898 110.6 45.6 -64.0 -39.7 132.6 14.3 -29.5 73 69 A A H <> S+ 0 0 26 -3,-0.5 4,-2.7 2,-0.2 5,-0.2 0.916 110.4 54.1 -67.0 -43.2 130.6 13.9 -26.3 74 70 A A H X S+ 0 0 0 -4,-2.5 4,-0.8 1,-0.2 -2,-0.2 0.898 113.2 42.5 -59.1 -42.4 132.5 16.6 -24.6 75 71 A L H >X S+ 0 0 40 -4,-2.3 4,-3.1 -5,-0.2 3,-0.6 0.924 112.1 53.6 -69.6 -45.6 131.7 19.1 -27.3 76 72 A S H 3X S+ 0 0 33 -4,-2.4 4,-2.5 1,-0.3 -2,-0.2 0.920 105.3 53.8 -55.1 -47.9 128.1 18.0 -27.6 77 73 A V H 3< S+ 0 0 9 -4,-2.7 7,-2.8 1,-0.2 -1,-0.3 0.798 117.1 39.0 -58.3 -30.3 127.5 18.5 -23.9 78 74 A V H << S+ 0 0 1 -4,-0.8 7,-2.1 -3,-0.6 8,-0.3 0.925 127.9 26.0 -85.9 -46.6 128.8 22.0 -24.3 79 75 A F H < S+ 0 0 84 -4,-3.1 -3,-0.2 5,-0.1 -2,-0.2 0.652 95.8 93.1 -99.3 -21.0 127.4 23.2 -27.6 80 76 A D S >< S- 0 0 84 -4,-2.5 3,-1.6 -5,-0.4 2,-0.1 -0.186 92.0 -76.0 -70.4 168.3 124.2 21.2 -28.3 81 77 A K T 3 S+ 0 0 196 1,-0.3 -1,-0.1 4,-0.1 3,-0.1 -0.442 125.8 24.5 -67.0 138.4 120.7 22.4 -27.3 82 78 A G T 3 S+ 0 0 22 1,-0.2 -27,-2.2 -2,-0.1 -1,-0.3 0.611 104.2 140.3 76.4 14.7 120.2 22.1 -23.6 83 79 A G X - 0 0 2 -3,-1.6 3,-1.0 -29,-0.2 4,-0.3 -0.256 69.4 -95.4 -88.9 176.0 123.9 22.2 -23.3 84 80 A V G >> S+ 0 0 0 -7,-2.8 3,-1.8 1,-0.2 4,-0.6 0.866 112.3 65.3 -55.1 -45.0 126.3 23.8 -20.9 85 81 A L G >4 S+ 0 0 37 -7,-2.1 3,-0.6 1,-0.3 -1,-0.2 0.741 89.9 64.2 -59.3 -28.0 126.9 27.0 -22.9 86 82 A E G <4 S+ 0 0 97 -3,-1.0 -1,-0.3 -8,-0.3 -2,-0.2 0.694 110.4 36.6 -76.2 -14.4 123.4 28.3 -22.6 87 83 A Q G <4 S+ 0 0 67 -3,-1.8 -1,-0.2 -4,-0.3 2,-0.2 0.342 87.8 118.2-115.8 4.2 123.5 28.7 -18.8 88 84 A I << + 0 0 5 -3,-0.6 2,-0.3 -4,-0.6 29,-0.1 -0.514 35.4 141.1 -68.5 135.5 127.1 29.9 -18.6 89 85 A C > - 0 0 61 -2,-0.2 3,-2.3 27,-0.1 29,-0.2 -0.935 57.1 -43.4-159.3-179.0 127.5 33.4 -17.1 90 86 A E T 3 S+ 0 0 172 -2,-0.3 27,-0.2 1,-0.3 3,-0.1 -0.264 125.5 25.1 -54.1 137.1 129.7 35.4 -14.8 91 87 A G T 3 S+ 0 0 29 25,-0.6 2,-0.3 1,-0.3 -1,-0.3 0.185 92.8 121.5 94.2 -17.0 130.5 33.3 -11.6 92 88 A K < - 0 0 33 -3,-2.3 26,-2.3 24,-0.1 2,-0.4 -0.647 44.4-161.1 -84.0 135.4 130.1 30.0 -13.3 93 89 A G E -de 63 118A 1 -31,-3.4 -29,-2.4 -2,-0.3 2,-0.5 -0.963 4.6-168.5-117.9 132.6 132.9 27.5 -13.4 94 90 A Y E -de 64 119A 0 24,-2.5 26,-2.3 -2,-0.4 2,-0.6 -0.978 2.1-172.1-121.4 124.2 133.2 24.5 -15.7 95 91 A I E -de 65 120A 4 -31,-3.1 -29,-2.5 -2,-0.5 2,-0.7 -0.912 5.5-165.6-117.8 103.5 135.9 21.8 -15.2 96 92 A D E +de 66 121A 3 24,-2.1 26,-2.5 -2,-0.6 -29,-0.2 -0.797 13.7 172.9 -92.7 113.0 136.1 19.3 -18.1 97 93 A M + 0 0 0 -31,-3.1 27,-0.6 -2,-0.7 -30,-0.2 0.290 37.6 124.9-102.7 8.7 138.0 16.3 -17.1 98 94 A S S S- 0 0 3 -32,-0.4 2,-0.8 25,-0.2 -29,-0.1 -0.269 71.6-108.4 -61.7 152.4 137.3 14.4 -20.2 99 95 A T + 0 0 30 -31,-0.6 2,-0.3 24,-0.1 -25,-0.1 -0.787 62.2 141.6 -86.2 110.6 140.2 13.0 -22.3 100 96 A V - 0 0 6 -2,-0.8 75,-0.2 -30,-0.1 2,-0.2 -0.857 51.5 -94.3-138.8 172.4 140.3 15.2 -25.4 101 97 A D >> - 0 0 32 -2,-0.3 4,-1.7 1,-0.1 3,-0.8 -0.519 42.8-104.6 -85.9 162.6 142.8 16.8 -27.8 102 98 A A H 3> S+ 0 0 14 1,-0.2 4,-2.8 2,-0.2 5,-0.3 0.862 118.6 59.9 -55.3 -39.6 143.9 20.4 -27.3 103 99 A E H 3> S+ 0 0 118 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.874 106.2 49.4 -61.3 -33.7 141.8 21.7 -30.2 104 100 A T H <> S+ 0 0 7 -3,-0.8 4,-2.3 2,-0.2 -2,-0.2 0.967 113.1 42.9 -68.4 -53.7 138.7 20.4 -28.4 105 101 A S H X S+ 0 0 1 -4,-1.7 4,-2.9 1,-0.2 -2,-0.2 0.873 113.1 54.3 -61.9 -36.7 139.4 22.0 -25.0 106 102 A L H X S+ 0 0 80 -4,-2.8 4,-2.4 -5,-0.2 -1,-0.2 0.900 107.8 50.1 -62.6 -40.1 140.5 25.2 -26.6 107 103 A K H X S+ 0 0 95 -4,-1.6 4,-1.9 -5,-0.3 -2,-0.2 0.932 112.9 45.7 -63.6 -46.4 137.1 25.4 -28.5 108 104 A I H X S+ 0 0 0 -4,-2.3 4,-2.8 1,-0.2 5,-0.2 0.921 111.5 53.6 -62.7 -43.2 135.2 24.8 -25.2 109 105 A N H X S+ 0 0 29 -4,-2.9 4,-2.8 1,-0.2 5,-0.4 0.939 107.5 49.0 -56.3 -51.9 137.4 27.4 -23.4 110 106 A E H X S+ 0 0 139 -4,-2.4 4,-1.6 1,-0.2 -1,-0.2 0.907 114.4 46.2 -56.1 -44.9 136.8 30.2 -26.0 111 107 A A H X S+ 0 0 22 -4,-1.9 4,-0.9 -5,-0.2 -1,-0.2 0.921 115.1 45.4 -66.0 -45.0 133.0 29.5 -25.8 112 108 A I H ><>S+ 0 0 0 -4,-2.8 5,-2.3 1,-0.2 3,-0.8 0.949 117.4 41.2 -67.3 -49.2 132.8 29.4 -22.0 113 109 A T H ><5S+ 0 0 60 -4,-2.8 3,-1.7 1,-0.2 -1,-0.2 0.802 107.3 64.8 -69.6 -27.6 134.9 32.4 -21.3 114 110 A G H 3<5S+ 0 0 66 -4,-1.6 -1,-0.2 -5,-0.4 -2,-0.2 0.787 103.2 47.9 -63.1 -27.6 133.2 34.2 -24.1 115 111 A K T <<5S- 0 0 93 -4,-0.9 -1,-0.3 -3,-0.8 -2,-0.2 0.228 130.0 -96.8 -98.2 12.4 130.0 34.0 -22.1 116 112 A G T < 5S+ 0 0 42 -3,-1.7 -25,-0.6 1,-0.3 -3,-0.2 0.455 85.1 123.7 91.7 2.6 131.7 35.2 -19.0 117 113 A G < - 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0 0 26 1,-0.1 4,-2.3 0, 0.0 5,-0.2 -0.986 54.5-108.4-152.6 157.7 154.5 -1.5 -12.7 217 213 A P H > S+ 0 0 109 0, 0.0 4,-2.9 0, 0.0 5,-0.2 0.825 114.8 57.5 -56.6 -35.5 150.9 -1.6 -11.6 218 214 A M H >>S+ 0 0 32 2,-0.2 4,-2.9 1,-0.2 5,-0.5 0.951 109.2 42.9 -63.5 -50.7 149.6 -2.0 -15.1 219 215 A F H >5S+ 0 0 13 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.951 117.5 48.5 -56.3 -50.2 151.6 -5.2 -15.8 220 216 A K H <5S+ 0 0 102 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.904 119.1 37.7 -55.2 -46.8 150.6 -6.5 -12.3 221 217 A G H <5S+ 0 0 51 -4,-2.9 4,-0.4 -5,-0.2 -2,-0.2 0.837 126.5 32.3 -80.6 -35.7 146.9 -5.7 -12.7 222 218 A K H X5S+ 0 0 38 -4,-2.9 4,-2.9 -5,-0.2 3,-0.3 0.809 102.9 75.6 -91.9 -35.6 146.3 -6.6 -16.4 223 219 A G H X S+ 0 0 55 0, 0.0 4,-0.5 0, 0.0 -1,-0.2 0.881 115.9 46.8 -59.8 -39.4 147.0 -12.2 -15.0 225 221 A S H >4>S+ 0 0 45 -4,-0.4 5,-2.6 -3,-0.3 3,-1.2 0.924 110.7 51.9 -66.7 -45.4 143.7 -11.4 -16.8 226 222 A M H ><5S+ 0 0 1 -4,-2.9 3,-2.1 1,-0.3 -1,-0.2 0.901 104.9 56.4 -56.9 -41.9 145.4 -11.2 -20.2 227 223 A N H 3<5S+ 0 0 42 -4,-2.4 -1,-0.3 1,-0.3 -2,-0.2 0.682 109.6 46.6 -66.7 -16.6 146.9 -14.6 -19.6 228 224 A K T <<5S- 0 0 167 -3,-1.2 -1,-0.3 -4,-0.5 -2,-0.2 0.225 116.5-116.3-103.0 9.9 143.4 -15.9 -19.1 229 225 A S T < 5 + 0 0 58 -3,-2.1 2,-0.5 1,-0.2 -3,-0.2 0.879 69.0 142.9 55.0 40.7 142.1 -14.1 -22.2 230 226 A S < + 0 0 54 -5,-2.6 -1,-0.2 -6,-0.1 -2,-0.2 -0.959 22.4 170.4-117.0 121.6 139.8 -12.0 -20.0 231 227 A Y + 0 0 16 -2,-0.5 49,-2.5 -3,-0.1 52,-0.1 -0.376 3.0 176.7-131.2 55.2 139.4 -8.3 -20.9 232 228 A P - 0 0 84 0, 0.0 2,-0.5 0, 0.0 3,-0.2 -0.431 45.4-102.8 -61.7 133.5 136.6 -6.7 -18.8 233 229 A P + 0 0 60 0, 0.0 46,-0.1 0, 0.0 47,-0.1 -0.447 62.6 143.9 -71.5 112.5 136.6 -3.1 -19.8 234 230 A A S S+ 0 0 24 -2,-0.5 -106,-0.1 1,-0.2 -219,-0.1 0.660 93.9 13.4-101.7 -40.0 138.2 -0.7 -17.4 235 231 A F S S- 0 0 33 -3,-0.2 46,-2.1 -108,-0.1 -1,-0.2 -0.856 96.6-127.4-135.3 96.2 139.5 1.4 -20.3 236 232 A P B >> -I 280 0C 17 0, 0.0 4,-1.7 0, 0.0 3,-0.9 -0.087 11.0-129.5 -51.7 138.8 137.8 0.4 -23.5 237 233 A L H 3> S+ 0 0 0 42,-3.1 4,-2.5 39,-0.4 5,-0.2 0.834 105.8 59.8 -58.9 -37.4 140.1 -0.5 -26.4 238 234 A K H 3> S+ 0 0 87 39,-2.5 4,-1.8 41,-0.3 -1,-0.3 0.830 106.8 47.7 -63.5 -31.0 138.3 1.8 -28.8 239 235 A H H <> S+ 0 0 37 -3,-0.9 4,-2.3 38,-0.3 -1,-0.2 0.901 110.3 50.4 -77.0 -40.4 139.1 4.8 -26.6 240 236 A Q H X S+ 0 0 0 -4,-1.7 4,-2.0 2,-0.2 -2,-0.2 0.902 111.5 49.7 -60.0 -42.0 142.8 3.9 -26.2 241 237 A Q H X S+ 0 0 5 -4,-2.5 4,-2.3 2,-0.2 -2,-0.2 0.926 109.3 50.3 -66.1 -45.5 143.1 3.6 -30.0 242 238 A K H X S+ 0 0 50 -4,-1.8 4,-2.4 1,-0.2 -1,-0.2 0.905 109.8 52.4 -56.5 -41.6 141.5 7.0 -30.5 243 239 A D H X S+ 0 0 8 -4,-2.3 4,-2.6 2,-0.2 -1,-0.2 0.875 105.8 53.3 -63.9 -38.2 143.9 8.4 -28.0 244 240 A M H X S+ 0 0 0 -4,-2.0 4,-2.5 2,-0.2 -1,-0.2 0.931 109.5 49.8 -60.3 -45.1 146.9 6.9 -29.9 245 241 A R H X S+ 0 0 104 -4,-2.3 4,-1.9 1,-0.2 -2,-0.2 0.929 111.0 48.2 -58.4 -46.7 145.6 8.6 -33.0 246 242 A L H X S+ 0 0 20 -4,-2.4 4,-1.8 1,-0.2 -1,-0.2 0.896 111.3 50.1 -64.8 -39.0 145.3 11.9 -31.2 247 243 A A H X S+ 0 0 4 -4,-2.6 4,-2.1 1,-0.2 -1,-0.2 0.901 110.1 50.6 -62.3 -42.2 148.8 11.6 -29.7 248 244 A L H X S+ 0 0 38 -4,-2.5 4,-2.7 1,-0.2 -2,-0.2 0.825 106.9 54.8 -68.0 -30.2 150.1 10.8 -33.2 249 245 A A H X S+ 0 0 54 -4,-1.9 4,-2.9 2,-0.2 -1,-0.2 0.882 106.8 50.1 -68.7 -38.3 148.3 13.9 -34.5 250 246 A L H X S+ 0 0 23 -4,-1.8 4,-1.8 2,-0.2 -2,-0.2 0.891 111.3 49.8 -62.2 -40.1 150.1 16.0 -31.9 251 247 A G H <>S+ 0 0 6 -4,-2.1 5,-2.7 2,-0.2 4,-0.4 0.931 110.3 50.1 -61.1 -45.7 153.3 14.3 -33.1 252 248 A D H ><5S+ 0 0 133 -4,-2.7 3,-1.4 1,-0.2 -2,-0.2 0.946 109.1 52.2 -55.2 -49.8 152.3 15.2 -36.7 253 249 A E H 3<5S+ 0 0 124 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.849 117.5 37.0 -57.4 -36.9 151.7 18.8 -35.6 254 250 A N T 3<5S- 0 0 92 -4,-1.8 -1,-0.3 -5,-0.1 -2,-0.2 0.248 110.8-115.8-104.4 12.2 155.2 19.1 -34.0 255 251 A A T < 5 + 0 0 96 -3,-1.4 2,-0.5 -4,-0.4 -3,-0.2 0.877 61.1 153.0 54.5 42.8 157.0 17.0 -36.6 256 252 A V < - 0 0 82 -5,-2.7 2,-0.5 -6,-0.1 -1,-0.2 -0.911 38.2-142.6-103.6 124.2 157.9 14.3 -34.1 257 253 A S + 0 0 106 -2,-0.5 -9,-0.0 1,-0.1 -5,-0.0 -0.747 22.4 175.7 -87.7 124.7 158.5 10.9 -35.6 258 254 A M > + 0 0 40 -2,-0.5 4,-2.6 1,-0.1 5,-0.2 -0.619 8.2 169.3-133.4 75.7 157.2 8.1 -33.3 259 255 A P H > S+ 0 0 92 0, 0.0 4,-2.3 0, 0.0 5,-0.2 0.816 79.2 51.7 -59.3 -36.4 157.5 4.7 -35.0 260 256 A V H > S+ 0 0 104 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.947 112.3 44.3 -69.9 -46.1 156.6 2.7 -31.8 261 257 A A H > S+ 0 0 4 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.922 114.0 52.4 -59.5 -42.4 153.4 4.6 -31.1 262 258 A A H X S+ 0 0 40 -4,-2.6 4,-1.7 1,-0.2 -2,-0.2 0.902 110.4 46.4 -62.3 -42.4 152.5 4.4 -34.8 263 259 A A H X S+ 0 0 63 -4,-2.3 4,-1.7 2,-0.2 -1,-0.2 0.909 112.6 50.4 -65.8 -41.6 153.0 0.6 -34.8 264 260 A A H X S+ 0 0 4 -4,-2.4 4,-2.2 1,-0.2 -2,-0.2 0.905 106.6 55.7 -62.8 -43.6 151.0 0.2 -31.6 265 261 A N H X S+ 0 0 8 -4,-2.7 4,-2.0 1,-0.2 -1,-0.2 0.912 106.9 49.2 -51.2 -47.1 148.2 2.3 -33.0 266 262 A E H X S+ 0 0 101 -4,-1.7 4,-1.9 1,-0.2 -1,-0.2 0.848 107.8 54.6 -67.1 -33.1 147.9 -0.0 -36.0 267 263 A A H X S+ 0 0 24 -4,-1.7 4,-2.1 2,-0.2 -1,-0.2 0.899 107.1 50.7 -65.2 -40.5 147.8 -3.0 -33.7 268 264 A F H X S+ 0 0 0 -4,-2.2 4,-2.3 2,-0.2 -2,-0.2 0.883 107.6 53.7 -63.6 -38.0 144.9 -1.4 -31.9 269 265 A K H X S+ 0 0 79 -4,-2.0 4,-2.0 2,-0.2 -1,-0.2 0.909 107.8 50.4 -60.2 -42.4 143.1 -0.9 -35.2 270 266 A K H X S+ 0 0 118 -4,-1.9 4,-0.9 1,-0.2 -2,-0.2 0.902 108.4 52.4 -63.1 -39.9 143.6 -4.6 -35.9 271 267 A A H ><>S+ 0 0 0 -4,-2.1 5,-1.7 1,-0.2 3,-0.7 0.908 107.7 51.5 -62.5 -42.0 142.1 -5.4 -32.5 272 268 A R H ><5S+ 0 0 122 -4,-2.3 3,-2.0 1,-0.2 5,-0.4 0.896 105.8 55.3 -58.9 -40.1 139.1 -3.2 -33.4 273 269 A S H 3<5S+ 0 0 85 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.716 101.1 59.3 -68.5 -19.0 138.7 -5.2 -36.6 274 270 A L T <<5S- 0 0 82 -4,-0.9 -1,-0.3 -3,-0.7 -2,-0.2 0.348 124.7-106.1 -87.4 4.6 138.6 -8.3 -34.5 275 271 A G T < 5S+ 0 0 66 -3,-2.0 3,-0.3 -5,-0.1 -3,-0.2 0.772 86.7 122.3 79.5 28.8 135.5 -6.9 -32.8 276 272 A L > < + 0 0 24 -5,-1.7 3,-1.4 1,-0.2 -39,-0.4 0.262 28.8 111.3-107.6 10.6 137.3 -6.0 -29.6 277 273 A G T 3 S+ 0 0 13 -5,-0.4 -39,-2.5 1,-0.3 -38,-0.3 0.782 79.1 48.0 -58.5 -32.3 136.6 -2.3 -29.4 278 274 A D T 3 S+ 0 0 111 -3,-0.3 -1,-0.3 -41,-0.2 -2,-0.1 0.531 98.8 84.1 -89.6 -7.2 134.3 -2.5 -26.4 279 275 A L S < S- 0 0 63 -3,-1.4 -42,-3.1 1,-0.2 -41,-0.3 -0.316 98.5 -68.4 -84.7 174.9 136.7 -4.7 -24.3 280 276 A D B > -I 236 0C 1 -49,-2.5 3,-2.4 -44,-0.3 -1,-0.2 -0.282 45.8-114.3 -59.1 150.4 139.5 -3.5 -22.2 281 277 A F G > S+ 0 0 5 -46,-2.1 3,-1.8 1,-0.3 -1,-0.1 0.747 113.2 75.2 -60.8 -21.6 142.5 -2.1 -24.1 282 278 A S G > S+ 0 0 3 1,-0.3 3,-1.5 -47,-0.1 -1,-0.3 0.662 74.3 81.9 -63.9 -14.0 144.5 -5.1 -22.8 283 279 A A G X + 0 0 0 -3,-2.4 3,-2.2 1,-0.3 4,-0.4 0.590 62.6 92.1 -65.9 -8.9 142.6 -7.1 -25.4 284 280 A V G X> + 0 0 0 -3,-1.8 3,-1.3 1,-0.3 4,-0.8 0.740 68.7 75.4 -58.7 -19.7 145.1 -5.8 -28.0 285 281 A I H <> S+ 0 0 5 -3,-1.5 4,-2.4 1,-0.3 3,-0.3 0.799 82.6 66.6 -63.4 -26.5 147.0 -9.0 -27.2 286 282 A E H <> S+ 0 0 45 -3,-2.2 4,-1.6 1,-0.2 -1,-0.3 0.795 95.0 56.9 -62.7 -29.1 144.4 -10.9 -29.3 287 283 A A H <4 S+ 0 0 21 -3,-1.3 -1,-0.2 -4,-0.4 -2,-0.2 0.839 110.0 44.1 -69.9 -33.1 145.8 -9.0 -32.3 288 284 A V H < S+ 0 0 49 -4,-0.8 -2,-0.2 -3,-0.3 -1,-0.2 0.858 114.9 49.2 -76.0 -37.7 149.2 -10.4 -31.6 289 285 A K H < S+ 0 0 55 -4,-2.4 -2,-0.2 2,-0.0 -3,-0.2 0.769 79.3 119.8 -71.3 -30.3 147.9 -13.9 -30.9 290 286 A F < + 0 0 68 -4,-1.6 2,-0.3 -5,-0.2 -3,-0.0 -0.103 35.9 137.3 -50.5 125.9 145.7 -14.3 -34.0 291 287 A S 0 0 101 1,-0.0 -2,-0.0 0, 0.0 -1,-0.0 -0.904 360.0 360.0-154.1 179.8 146.9 -17.3 -36.1 292 288 A R 0 0 157 -2,-0.3 -1,-0.0 0, 0.0 -2,-0.0 -0.373 360.0 360.0-170.4 360.0 145.5 -20.2 -38.1