==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=22-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 18-OCT-09 3KA7 . COMPND 2 MOLECULE: OXIDOREDUCTASE; . SOURCE 2 ORGANISM_SCIENTIFIC: METHANOSARCINA MAZEI; . AUTHOR J.SEETHARAMAN,M.SU,D.WANG,H.JANJUA,K.CUNNINGHAM,L.OWENS, . 422 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 18216.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 304 72.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 26 6.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 69 16.4 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.2 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 . 4 0.9 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 . 1 0.2 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 . 27 6.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 53 12.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 113 26.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 0.7 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 0 0 1 2 1 0 0 1 1 3 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 1 2 1 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 PARALLEL BRIDGES PER LADDER . 5 0 2 3 1 1 0 1 1 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 1 1 0 1 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 1 A X 0 0 109 0, 0.0 24,-2.4 0, 0.0 2,-0.6 0.000 360.0 360.0 360.0 161.1 28.3 -20.4 12.4 2 2 A K E -a 25 0A 83 22,-0.2 240,-3.0 24,-0.0 241,-1.4 -0.879 360.0-179.6 -92.5 121.8 28.5 -16.7 12.8 3 3 A T E -ab 26 243A 1 22,-3.1 24,-1.6 -2,-0.6 2,-0.4 -0.928 17.1-162.3-127.3 148.4 25.9 -15.8 15.4 4 4 A V E -ab 27 244A 1 239,-2.2 241,-2.9 -2,-0.3 2,-0.5 -0.986 6.0-154.1-129.8 143.7 24.7 -12.5 16.9 5 5 A V E -ab 28 245A 0 22,-2.3 24,-2.6 -2,-0.4 2,-0.8 -0.971 10.4-145.8-116.9 129.3 22.7 -11.9 20.1 6 6 A I E S+ab 29 246A 4 239,-3.0 241,-2.7 -2,-0.5 24,-0.2 -0.862 71.6 11.7 -97.7 109.5 20.6 -8.8 20.5 7 7 A G - 0 0 7 22,-2.9 23,-0.2 -2,-0.8 22,-0.1 0.408 67.9-124.0 97.8 130.1 20.7 -7.7 24.2 8 8 A A + 0 0 0 26,-0.2 28,-2.8 4,-0.1 -1,-0.1 -0.233 62.0 133.5 -98.9 41.5 22.9 -8.8 27.1 9 9 A G B > S-f 36 0B 11 26,-0.2 4,-2.5 27,-0.2 5,-0.3 -0.253 79.4 -86.4 -74.3 178.5 20.1 -9.8 29.4 10 10 A L H > S+ 0 0 11 26,-0.6 4,-2.8 1,-0.2 5,-0.2 0.913 130.7 51.2 -55.9 -45.8 20.3 -13.1 31.2 11 11 A G H > S+ 0 0 1 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.917 111.5 46.8 -55.9 -46.4 18.7 -14.9 28.2 12 12 A G H > S+ 0 0 0 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.888 113.7 47.6 -65.4 -40.0 21.2 -13.4 25.8 13 13 A L H X S+ 0 0 0 -4,-2.5 4,-2.8 2,-0.2 -2,-0.2 0.888 110.4 51.4 -71.2 -41.1 24.2 -14.1 27.9 14 14 A L H X S+ 0 0 0 -4,-2.8 4,-2.3 -5,-0.3 5,-0.2 0.927 113.5 46.9 -54.8 -46.6 23.1 -17.7 28.6 15 15 A S H X S+ 0 0 0 -4,-2.2 4,-3.0 -5,-0.2 5,-0.3 0.929 112.6 48.1 -60.6 -47.6 22.7 -18.1 24.8 16 16 A A H X S+ 0 0 0 -4,-2.7 4,-2.4 2,-0.2 5,-0.3 0.902 111.2 51.0 -62.8 -42.2 26.1 -16.5 24.1 17 17 A A H X S+ 0 0 0 -4,-2.8 4,-1.8 2,-0.2 -1,-0.2 0.946 115.7 40.9 -61.1 -48.8 27.8 -18.7 26.7 18 18 A R H X S+ 0 0 86 -4,-2.3 4,-1.9 -5,-0.2 -2,-0.2 0.910 115.6 49.7 -67.6 -43.2 26.4 -21.9 25.2 19 19 A L H <>S+ 0 0 12 -4,-3.0 5,-2.2 -5,-0.2 -1,-0.2 0.880 111.2 48.9 -64.9 -38.5 26.8 -20.9 21.6 20 20 A S H ><5S+ 0 0 6 -4,-2.4 3,-1.3 -5,-0.3 -1,-0.2 0.895 112.2 48.1 -68.8 -39.5 30.4 -19.9 22.0 21 21 A K H 3<5S+ 0 0 78 -4,-1.8 -1,-0.2 -5,-0.3 -2,-0.2 0.859 104.2 62.8 -63.7 -34.5 31.2 -23.2 23.9 22 22 A A T 3<5S- 0 0 45 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.2 0.429 126.9 -99.2 -73.3 0.2 29.4 -25.0 21.0 23 23 A G T < 5S+ 0 0 63 -3,-1.3 2,-0.3 1,-0.3 -3,-0.2 0.621 78.7 133.4 95.1 14.5 32.1 -23.7 18.6 24 24 A H < - 0 0 49 -5,-2.2 2,-0.5 -22,-0.0 -1,-0.3 -0.685 61.2-115.5-100.1 150.6 30.2 -20.7 17.1 25 25 A E E -a 2 0A 129 -24,-2.4 -22,-3.1 -2,-0.3 2,-0.4 -0.753 43.8-172.6 -78.5 125.0 31.5 -17.1 16.5 26 26 A V E +a 3 0A 3 -2,-0.5 186,-2.6 184,-0.2 2,-0.4 -0.981 19.9 179.5-128.6 131.6 29.3 -15.0 18.8 27 27 A E E -ac 4 212A 47 -24,-1.6 -22,-2.3 -2,-0.4 2,-0.4 -1.000 13.6-156.4-126.0 132.0 28.9 -11.2 19.2 28 28 A V E -ac 5 213A 0 184,-2.7 186,-3.3 -2,-0.4 2,-0.5 -0.908 2.7-157.9-107.3 132.7 26.5 -9.7 21.7 29 29 A F E -ac 6 214A 2 -24,-2.6 -22,-2.9 -2,-0.4 2,-0.4 -0.951 11.9-178.5-115.1 117.6 25.1 -6.2 21.2 30 30 A E - 0 0 17 184,-3.2 187,-2.8 -2,-0.5 186,-0.4 -0.960 20.9-153.3-119.1 131.8 23.8 -4.4 24.3 31 31 A R S S+ 0 0 144 -2,-0.4 187,-0.2 185,-0.3 -1,-0.1 0.810 74.7 70.3 -72.8 -33.6 22.3 -0.9 24.2 32 32 A L S S- 0 0 57 2,-0.3 184,-2.2 185,-0.1 185,-0.3 -0.279 93.5-107.9 -81.2 168.9 23.1 0.1 27.8 33 33 A P S S+ 0 0 105 0, 0.0 2,-0.3 0, 0.0 182,-0.1 0.674 102.4 39.1 -69.7 -17.4 26.6 0.8 29.3 34 34 A I S S- 0 0 93 181,-0.0 3,-0.3 3,-0.0 -2,-0.3 -0.889 80.3-121.0-131.6 163.0 26.5 -2.4 31.2 35 35 A T S S+ 0 0 10 -2,-0.3 -26,-0.2 1,-0.2 164,-0.1 -0.494 75.1 70.3 -93.4 165.3 25.3 -6.0 30.6 36 36 A G B > -f 9 0B 0 -28,-2.8 3,-2.2 -2,-0.2 -26,-0.6 0.122 64.9-153.5 119.5 -20.7 22.7 -8.0 32.6 37 37 A G T 3 S- 0 0 13 -3,-0.3 3,-0.4 1,-0.3 14,-0.1 -0.279 78.3 -9.4 53.8-130.5 19.4 -6.3 31.7 38 38 A R T 3 S+ 0 0 35 1,-0.2 15,-2.4 14,-0.1 -1,-0.3 0.196 132.9 67.7 -84.6 18.9 16.9 -6.8 34.6 39 39 A F S < S+ 0 0 8 -3,-2.2 2,-0.3 13,-0.2 160,-0.2 -0.350 81.5 80.6-135.4 53.3 19.3 -9.2 36.3 40 40 A T S S- 0 0 6 -3,-0.4 11,-2.4 158,-0.1 12,-0.4 -0.874 76.4 -82.4-146.0-177.7 22.4 -7.4 37.5 41 41 A N E -G 50 0C 17 -2,-0.3 2,-0.4 9,-0.3 9,-0.3 -0.548 23.5-159.2 -93.7 154.5 23.5 -5.1 40.3 42 42 A L E -G 49 0C 63 7,-2.3 7,-2.4 -2,-0.2 2,-0.5 -0.978 18.7-137.0-129.3 116.2 23.0 -1.4 40.9 43 43 A S E +G 48 0C 91 -2,-0.4 2,-0.4 5,-0.2 5,-0.2 -0.629 35.0 167.1 -72.4 121.3 25.4 0.3 43.3 44 44 A Y E > -G 47 0C 70 3,-2.8 3,-2.0 -2,-0.5 -2,-0.1 -0.899 62.6 -31.0-146.0 110.3 23.3 2.6 45.5 45 45 A K T 3 S- 0 0 155 -2,-0.4 3,-0.1 1,-0.3 -2,-0.0 0.837 124.8 -45.6 51.2 40.1 24.5 4.4 48.6 46 46 A G T 3 S+ 0 0 59 1,-0.3 2,-0.3 275,-0.1 -1,-0.3 0.436 119.4 109.1 86.9 -0.5 26.8 1.6 49.6 47 47 A F E < -G 44 0C 7 -3,-2.0 -3,-2.8 274,-0.2 2,-1.1 -0.810 69.4-131.8-105.8 148.4 24.2 -1.1 48.8 48 48 A Q E +G 43 0C 49 272,-2.9 -5,-0.2 -2,-0.3 272,-0.0 -0.788 40.8 168.5 -95.0 86.4 24.2 -3.6 45.9 49 49 A L E -G 42 0C 0 -7,-2.4 -7,-2.3 -2,-1.1 2,-0.3 -0.082 26.7-118.0 -78.3-168.8 20.6 -3.2 44.8 50 50 A S E -G 41 0C 0 -9,-0.3 -9,-0.3 2,-0.2 -11,-0.1 -0.912 12.0-123.0-135.9 163.6 19.5 -4.7 41.5 51 51 A S S S- 0 0 23 -11,-2.4 -12,-0.1 -2,-0.3 -10,-0.1 0.363 96.0 -43.0 -80.8 2.6 18.2 -3.7 38.1 52 52 A G S S+ 0 0 13 1,-0.5 -13,-0.2 -12,-0.4 -2,-0.2 -0.409 110.0 83.3 175.4 -88.0 15.2 -6.0 38.7 53 53 A A S S- 0 0 26 -15,-2.4 2,-1.1 1,-0.2 -1,-0.5 0.004 75.0-118.9 -53.8 147.0 15.5 -9.4 40.2 54 54 A F - 0 0 26 2,-0.2 -1,-0.2 1,-0.1 275,-0.1 -0.092 53.5 -96.5 -83.6 39.3 15.7 -9.8 44.0 55 55 A H S S+ 0 0 0 -2,-1.1 2,-0.3 1,-0.2 139,-0.1 0.854 93.4 113.0 54.8 36.4 19.2 -11.4 44.0 56 56 A X - 0 0 18 134,-0.2 134,-0.2 132,-0.0 -1,-0.2 -0.998 61.0-142.2-146.5 140.3 17.5 -14.8 44.1 57 57 A L B > -H 189 0D 0 132,-2.5 132,-1.7 -2,-0.3 3,-1.3 -0.911 19.8-137.7-101.3 130.3 17.0 -17.9 42.0 58 58 A P T 3 S+ 0 0 24 0, 0.0 -1,-0.1 0, 0.0 350,-0.1 0.840 105.9 28.6 -56.9 -36.8 13.6 -19.6 42.3 59 59 A N T >> S- 0 0 5 1,-0.3 3,-1.9 348,-0.2 4,-0.5 0.150 98.0-155.0-112.3 17.5 15.1 -23.1 42.3 60 60 A G G X4 - 0 0 0 -3,-1.3 3,-0.7 129,-0.3 6,-0.4 -0.084 65.5 -13.4 54.5-136.3 18.4 -22.1 43.9 61 61 A P G 34 S+ 0 0 44 0, 0.0 -1,-0.3 0, 0.0 125,-0.1 0.512 136.2 56.2 -77.8 -4.2 21.4 -24.4 43.2 62 62 A G G <4 S+ 0 0 24 -3,-1.9 -2,-0.2 125,-0.4 124,-0.1 0.489 87.4 89.3-106.3 -4.1 19.2 -27.2 41.8 63 63 A G S S+ 0 0 5 0, 0.0 4,-2.5 0, 0.0 5,-0.1 0.815 125.3 49.9 -56.2 -36.6 17.4 -25.1 35.2 65 65 A L H > S+ 0 0 0 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.957 112.0 46.1 -68.6 -48.9 19.5 -21.9 35.6 66 66 A A H > S+ 0 0 5 -6,-0.4 4,-1.9 1,-0.2 -1,-0.2 0.896 114.6 50.1 -59.1 -39.5 22.0 -23.5 38.1 67 67 A C H X S+ 0 0 50 -4,-2.6 4,-2.4 2,-0.2 -1,-0.2 0.922 108.0 51.6 -65.7 -45.0 22.2 -26.5 35.7 68 68 A F H X S+ 0 0 3 -4,-2.5 4,-1.8 1,-0.2 -2,-0.2 0.923 107.7 53.9 -54.2 -46.4 22.8 -24.3 32.7 69 69 A L H <>S+ 0 0 4 -4,-2.6 5,-3.1 1,-0.2 -1,-0.2 0.901 110.0 46.0 -58.8 -44.1 25.6 -22.6 34.5 70 70 A K H ><5S+ 0 0 168 -4,-1.9 3,-1.1 3,-0.2 -1,-0.2 0.885 108.8 57.3 -64.3 -37.7 27.3 -26.0 35.3 71 71 A E H 3<5S+ 0 0 112 -4,-2.4 -2,-0.2 1,-0.3 -1,-0.2 0.831 112.2 39.7 -62.7 -33.7 26.8 -27.1 31.6 72 72 A V T 3<5S- 0 0 2 -4,-1.8 -1,-0.3 -5,-0.2 -2,-0.2 0.288 115.7-116.8 -97.0 8.3 28.7 -24.0 30.3 73 73 A E T < 5 + 0 0 147 -3,-1.1 2,-0.2 1,-0.2 -3,-0.2 0.834 54.9 164.1 60.3 35.1 31.3 -24.4 33.1 74 74 A A < - 0 0 14 -5,-3.1 2,-0.6 -6,-0.2 -1,-0.2 -0.586 31.3-136.4 -78.2 147.7 30.4 -21.0 34.6 75 75 A S + 0 0 111 -2,-0.2 2,-0.3 126,-0.2 129,-0.1 -0.917 44.2 129.6-114.4 111.3 31.7 -20.7 38.2 76 76 A V - 0 0 37 -2,-0.6 2,-0.5 125,-0.1 117,-0.1 -0.918 50.4-121.9-161.4 136.6 29.5 -19.1 40.8 77 77 A N - 0 0 86 -2,-0.3 115,-3.2 115,-0.1 2,-0.5 -0.672 25.4-173.7 -81.7 119.3 28.4 -20.1 44.3 78 78 A I E -I 191 0D 22 -2,-0.5 2,-0.4 113,-0.2 -2,-0.0 -0.972 11.1-153.2-113.2 121.0 24.7 -20.4 44.8 79 79 A V E -I 190 0D 68 111,-2.4 111,-2.4 -2,-0.5 2,-0.3 -0.769 18.3-119.4 -95.1 135.4 23.6 -21.1 48.4 80 80 A R E -I 189 0D 110 -2,-0.4 109,-0.3 109,-0.2 108,-0.1 -0.559 33.9-125.0 -70.2 129.7 20.3 -22.9 49.1 81 81 A S - 0 0 13 107,-2.7 216,-0.2 -2,-0.3 106,-0.1 -0.339 21.0-104.7 -72.0 155.0 17.9 -20.7 51.1 82 82 A E - 0 0 123 1,-0.2 216,-0.2 -2,-0.1 106,-0.1 -0.366 62.0 -69.9 -65.4 157.5 16.4 -21.6 54.4 83 83 A X - 0 0 96 214,-0.1 214,-0.3 1,-0.1 -1,-0.2 -0.242 57.1-108.8 -56.6 137.0 12.7 -22.6 54.2 84 84 A T - 0 0 17 -3,-0.1 22,-3.1 213,-0.1 23,-0.3 -0.340 34.5-151.4 -63.4 146.3 10.4 -19.7 53.3 85 85 A T E -Jk 105 299E 26 213,-2.5 215,-3.0 20,-0.3 2,-0.4 -0.745 2.6-140.6-119.0 169.8 8.1 -18.5 56.0 86 86 A V E -Jk 104 300E 0 18,-2.5 18,-2.3 -2,-0.2 2,-0.5 -0.994 9.4-138.9-138.0 127.5 4.6 -16.8 56.0 87 87 A R E +J 103 0E 16 213,-3.0 216,-0.5 -2,-0.4 16,-0.2 -0.737 31.3 170.8 -91.0 123.6 3.4 -14.0 58.2 88 88 A V E -J 102 0E 3 14,-3.1 14,-2.4 -2,-0.5 4,-0.1 -0.845 38.5 -85.3-129.6 162.3 -0.2 -14.5 59.4 89 89 A P E -J 101 0E 12 0, 0.0 12,-0.3 0, 0.0 8,-0.1 -0.323 36.9-119.8 -66.6 155.3 -2.5 -12.8 61.9 90 90 A L S S+ 0 0 95 10,-1.3 2,-0.4 6,-0.2 11,-0.1 0.911 98.7 35.6 -60.5 -44.9 -2.3 -13.9 65.5 91 91 A K S > S- 0 0 132 9,-0.2 3,-2.0 0, 0.0 2,-0.2 -0.925 90.3-113.7-115.9 133.9 -5.9 -15.0 65.6 92 92 A K T 3 S+ 0 0 177 -2,-0.4 -2,-0.0 1,-0.2 -4,-0.0 -0.449 108.2 39.5 -59.2 129.4 -7.9 -16.6 62.8 93 93 A G T 3 S+ 0 0 68 1,-0.6 -1,-0.2 -2,-0.2 0, 0.0 -0.065 82.6 118.0 112.0 -35.5 -10.5 -14.0 61.9 94 94 A N < - 0 0 27 -3,-2.0 -1,-0.6 1,-0.1 3,-0.0 -0.481 57.6-149.8 -58.3 135.2 -8.2 -11.0 62.2 95 95 A P + 0 0 98 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 0.620 68.7 2.6 -85.9 -13.2 -8.1 -9.4 58.8 96 96 A D S S- 0 0 46 4,-0.1 3,-0.4 -8,-0.0 -6,-0.2 -0.825 84.4 -83.6-157.2-169.7 -4.5 -8.0 59.1 97 97 A Y S > S+ 0 0 6 206,-0.5 3,-2.2 -2,-0.2 207,-0.1 0.393 89.7 103.0 -93.3 2.3 -1.4 -7.8 61.3 98 98 A V T 3 S+ 0 0 92 1,-0.3 -1,-0.2 -9,-0.0 3,-0.1 0.876 84.7 44.6 -54.4 -44.2 -2.6 -4.8 63.4 99 99 A K T 3 S- 0 0 154 -3,-0.4 -1,-0.3 1,-0.3 2,-0.1 0.258 131.1 -81.7 -86.2 14.8 -3.5 -7.0 66.4 100 100 A G < - 0 0 22 -3,-2.2 -10,-1.3 255,-0.1 -1,-0.3 -0.383 46.0-127.2 110.1 169.8 -0.2 -8.9 66.0 101 101 A F E -J 89 0E 66 -12,-0.3 2,-0.3 -2,-0.1 -11,-0.1 -0.944 6.8-154.0-149.9 166.7 1.2 -11.7 63.9 102 102 A K E -J 88 0E 90 -14,-2.4 -14,-3.1 -2,-0.3 2,-0.4 -0.952 19.8-127.0-139.9 160.7 2.9 -15.0 63.9 103 103 A D E -J 87 0E 71 -2,-0.3 2,-0.3 -16,-0.2 -16,-0.2 -0.924 20.7-174.2-113.9 136.9 5.1 -16.8 61.3 104 104 A I E -J 86 0E 23 -18,-2.3 -18,-2.5 -2,-0.4 2,-0.1 -0.895 33.8 -98.9-120.2 155.7 4.7 -20.3 59.9 105 105 A S E > -J 85 0E 37 -2,-0.3 3,-1.5 -20,-0.2 -20,-0.3 -0.432 33.1-119.1 -67.6 146.0 6.9 -22.4 57.6 106 106 A F G > S+ 0 0 29 -22,-3.1 3,-1.5 1,-0.3 -21,-0.1 0.916 114.7 52.4 -53.4 -47.2 5.8 -22.4 53.9 107 107 A N G 3 S+ 0 0 96 -23,-0.3 -1,-0.3 1,-0.3 -22,-0.1 0.635 101.6 62.3 -68.2 -12.0 5.3 -26.2 53.9 108 108 A D G X + 0 0 91 -3,-1.5 3,-1.7 1,-0.2 4,-0.3 0.110 65.5 118.1 -95.7 19.5 3.1 -25.9 57.0 109 109 A F G X S+ 0 0 37 -3,-1.5 3,-1.2 1,-0.3 -1,-0.2 0.849 71.2 56.8 -58.6 -32.3 0.5 -23.8 55.2 110 110 A P G > S+ 0 0 20 0, 0.0 3,-2.2 0, 0.0 -1,-0.3 0.739 85.6 82.3 -72.5 -15.9 -2.2 -26.4 55.8 111 111 A S G < S+ 0 0 58 -3,-1.7 -2,-0.2 1,-0.3 7,-0.1 0.691 85.1 58.7 -59.9 -18.4 -1.6 -26.2 59.5 112 112 A L G < S+ 0 0 44 -3,-1.2 -1,-0.3 -4,-0.3 2,-0.2 0.469 93.2 87.1 -91.5 -2.7 -3.9 -23.2 59.7 113 113 A L S < S- 0 0 7 -3,-2.2 0, 0.0 1,-0.2 0, 0.0 -0.490 90.9 -89.4 -90.0 162.8 -6.8 -25.1 58.2 114 114 A S > - 0 0 57 -2,-0.2 4,-2.9 1,-0.1 5,-0.2 -0.207 44.8-104.4 -57.2 161.0 -9.5 -27.2 60.0 115 115 A Y H > S+ 0 0 157 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.934 123.5 52.7 -56.9 -46.7 -8.6 -30.9 60.5 116 116 A K H > S+ 0 0 161 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.940 113.4 42.4 -52.2 -51.3 -11.0 -31.8 57.7 117 117 A D H > S+ 0 0 19 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.873 112.1 54.4 -68.6 -37.7 -9.4 -29.3 55.3 118 118 A R H X S+ 0 0 77 -4,-2.9 4,-2.4 1,-0.2 -1,-0.2 0.911 109.4 47.3 -60.6 -45.2 -5.9 -30.2 56.3 119 119 A X H X S+ 0 0 75 -4,-2.6 4,-2.0 2,-0.2 -1,-0.2 0.868 109.6 53.7 -67.6 -35.6 -6.5 -33.9 55.5 120 120 A K H X S+ 0 0 89 -4,-1.9 4,-2.6 -5,-0.2 5,-0.2 0.958 110.3 47.1 -62.0 -46.0 -8.1 -32.9 52.2 121 121 A I H X S+ 0 0 15 -4,-2.5 4,-2.4 1,-0.2 -2,-0.2 0.911 107.4 57.3 -62.0 -42.1 -5.0 -31.0 51.3 122 122 A A H X S+ 0 0 49 -4,-2.4 4,-0.7 1,-0.2 -1,-0.2 0.906 111.0 42.9 -52.7 -45.6 -2.8 -33.9 52.4 123 123 A L H >X S+ 0 0 125 -4,-2.0 4,-3.0 1,-0.2 3,-0.8 0.895 111.1 53.6 -72.2 -38.5 -4.5 -36.2 49.9 124 124 A L H 3X S+ 0 0 28 -4,-2.6 4,-2.5 1,-0.2 5,-0.2 0.856 99.5 64.1 -61.1 -34.6 -4.5 -33.6 47.1 125 125 A I H 3< S+ 0 0 71 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.842 112.8 35.6 -57.6 -30.1 -0.7 -33.3 47.7 126 126 A V H X< S+ 0 0 101 -3,-0.8 3,-1.0 -4,-0.7 4,-0.5 0.916 119.8 45.9 -84.5 -53.1 -0.6 -37.0 46.6 127 127 A S H 3X S+ 0 0 48 -4,-3.0 4,-1.6 1,-0.2 3,-0.4 0.827 105.1 58.6 -66.9 -33.5 -3.3 -37.1 43.9 128 128 A T T 3< S+ 0 0 7 -4,-2.5 -1,-0.2 1,-0.2 -3,-0.1 0.665 86.3 78.7 -74.3 -14.2 -2.4 -33.9 42.0 129 129 A R T <4 S+ 0 0 82 -3,-1.0 -1,-0.2 -5,-0.2 3,-0.2 0.952 117.7 9.8 -59.6 -51.4 1.1 -35.0 41.1 130 130 A K T 4 S+ 0 0 190 -4,-0.5 2,-0.6 -3,-0.4 -1,-0.2 0.563 129.7 58.0-106.0 -14.4 -0.0 -37.3 38.3 131 131 A N S < S- 0 0 124 -4,-1.6 -1,-0.2 2,-0.0 -2,-0.1 -0.738 83.7-164.0-113.6 78.6 -3.7 -36.2 38.1 132 132 A R - 0 0 75 -2,-0.6 41,-0.1 -3,-0.2 -3,-0.1 -0.494 18.0-124.0 -78.1 123.2 -3.2 -32.5 37.4 133 133 A P + 0 0 18 0, 0.0 2,-0.3 0, 0.0 43,-0.2 -0.290 43.3 169.7 -52.7 146.0 -6.0 -30.0 37.9 134 134 A S + 0 0 84 38,-0.1 3,-0.1 39,-0.1 0, 0.0 -0.989 34.5 49.6-157.6 154.2 -6.6 -28.1 34.7 135 135 A G S S+ 0 0 71 -2,-0.3 2,-0.3 1,-0.3 -1,-0.1 0.564 93.2 60.2 96.3 11.2 -8.9 -25.6 32.9 136 136 A S S S- 0 0 46 34,-0.0 36,-3.0 -3,-0.0 37,-0.4 -0.934 88.8 -81.0-151.0 173.3 -9.5 -22.8 35.4 137 137 A S B > -P 171 0F 29 -2,-0.3 4,-2.4 34,-0.3 5,-0.2 -0.377 43.5-110.8 -73.0 162.5 -7.5 -20.3 37.4 138 138 A L H > S+ 0 0 12 32,-2.3 4,-2.9 29,-0.7 5,-0.2 0.909 119.6 53.0 -57.4 -44.6 -5.7 -21.3 40.5 139 139 A Q H > S+ 0 0 37 28,-2.0 4,-2.4 31,-0.2 -1,-0.2 0.927 108.4 49.2 -60.3 -44.7 -8.2 -19.3 42.6 140 140 A A H > S+ 0 0 45 27,-0.3 4,-1.3 1,-0.2 -1,-0.2 0.913 112.9 47.7 -62.0 -44.4 -11.2 -21.0 41.0 141 141 A W H >X S+ 0 0 41 -4,-2.4 4,-0.9 2,-0.2 3,-0.5 0.944 110.4 50.3 -62.4 -48.1 -9.7 -24.4 41.6 142 142 A I H >X S+ 0 0 15 -4,-2.9 4,-2.6 1,-0.2 3,-1.8 0.946 109.2 52.7 -54.4 -47.6 -8.8 -23.7 45.3 143 143 A K H 3< S+ 0 0 124 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.791 104.1 56.2 -60.4 -30.3 -12.3 -22.5 45.9 144 144 A S H << S+ 0 0 75 -4,-1.3 -1,-0.3 -3,-0.5 -2,-0.2 0.692 117.1 36.6 -73.2 -17.4 -13.7 -25.7 44.4 145 145 A Q H << S+ 0 0 48 -3,-1.8 2,-0.3 -4,-0.9 -2,-0.2 0.833 126.9 13.5-102.7 -44.8 -11.7 -27.7 47.0 146 146 A V < - 0 0 5 -4,-2.6 -1,-0.3 -5,-0.1 5,-0.0 -0.999 51.4-156.2-142.3 133.5 -11.7 -25.7 50.3 147 147 A S + 0 0 121 -2,-0.3 2,-0.1 -3,-0.1 -1,-0.1 0.721 58.9 115.2 -85.1 -21.8 -13.9 -22.7 51.3 148 148 A D >> - 0 0 43 1,-0.2 3,-1.3 2,-0.1 4,-0.5 -0.270 63.4-143.5 -52.9 118.8 -11.4 -21.3 53.9 149 149 A E H >> S+ 0 0 125 1,-0.3 4,-2.3 2,-0.2 3,-0.6 0.711 89.1 82.1 -59.6 -22.0 -10.3 -17.9 52.7 150 150 A W H 3> S+ 0 0 9 1,-0.2 4,-2.8 2,-0.2 -1,-0.3 0.890 87.4 53.6 -48.8 -45.1 -6.8 -18.6 54.1 151 151 A L H <> S+ 0 0 12 -3,-1.3 4,-2.7 1,-0.2 -1,-0.2 0.856 108.7 48.8 -65.7 -32.1 -5.8 -20.6 51.0 152 152 A I H S+ 0 0 0 -4,-3.1 4,-1.8 -5,-0.2 6,-1.5 0.856 113.7 50.1 -66.0 -37.3 1.4 -15.8 43.0 160 160 A G H X5S+ 0 0 1 -4,-2.3 4,-0.9 4,-0.3 -2,-0.2 0.945 118.1 37.7 -65.3 -49.8 2.2 -12.1 43.7 161 161 A W H <5S+ 0 0 44 -4,-2.6 -2,-0.2 147,-0.2 -3,-0.2 0.959 126.1 35.0 -65.0 -53.2 5.7 -12.7 44.9 162 162 A A H <5S+ 0 0 8 -4,-2.8 -3,-0.2 -5,-0.3 246,-0.2 0.852 138.6 11.5 -74.6 -37.9 6.7 -15.6 42.5 163 163 A L H <5S- 0 0 0 -4,-1.8 218,-0.5 -5,-0.4 -3,-0.2 0.465 89.1-122.4-122.3 -9.6 4.9 -14.5 39.3 164 164 A S S < - 0 0 75 -2,-0.3 3,-2.3 -3,-0.1 4,-0.1 -0.660 34.0-115.0 -88.7 156.2 -3.1 -12.7 41.1 167 167 A S G > S+ 0 0 0 1,-0.3 -28,-2.0 -2,-0.2 -29,-0.7 0.729 117.5 59.1 -65.8 -18.7 -4.2 -16.3 41.7 168 168 A D G 3 S+ 0 0 83 1,-0.2 -1,-0.3 -30,-0.2 -31,-0.1 0.412 103.6 55.1 -85.6 5.3 -7.3 -15.6 39.6 169 169 A E G < S+ 0 0 81 -3,-2.3 -1,-0.2 2,-0.1 -2,-0.2 0.215 93.8 74.7-120.5 6.6 -5.0 -14.7 36.7 170 170 A V S < S- 0 0 2 -3,-0.7 -32,-2.3 -4,-0.1 -31,-0.2 -0.992 84.0-114.4-125.6 132.7 -2.8 -17.9 36.5 171 171 A P B >> -P 137 0F 36 0, 0.0 4,-1.5 0, 0.0 3,-0.8 -0.385 21.8-131.1 -63.6 137.8 -4.0 -21.2 35.0 172 172 A V H 3> S+ 0 0 0 -36,-3.0 4,-2.2 1,-0.3 5,-0.2 0.877 106.5 58.5 -59.3 -38.3 -4.1 -23.9 37.7 173 173 A E H 3> S+ 0 0 73 -37,-0.4 4,-1.7 1,-0.2 -1,-0.3 0.827 102.2 53.9 -62.8 -31.2 -2.2 -26.3 35.5 174 174 A E H <> S+ 0 0 22 -3,-0.8 4,-2.3 2,-0.2 -1,-0.2 0.914 107.7 51.2 -65.7 -42.5 0.7 -23.8 35.3 175 175 A V H X S+ 0 0 7 -4,-1.5 4,-2.4 1,-0.2 -2,-0.2 0.893 108.1 51.0 -64.9 -39.5 0.8 -23.7 39.1 176 176 A F H X S+ 0 0 15 -4,-2.2 4,-2.1 2,-0.2 -1,-0.2 0.855 108.7 51.3 -69.6 -30.1 1.0 -27.5 39.4 177 177 A E H X S+ 0 0 57 -4,-1.7 4,-2.0 2,-0.2 -2,-0.2 0.906 109.9 50.8 -65.6 -41.6 3.9 -27.6 36.9 178 178 A I H X S+ 0 0 1 -4,-2.3 4,-1.3 1,-0.2 -2,-0.2 0.922 110.2 49.8 -58.6 -44.5 5.6 -25.0 39.1 179 179 A I H X S+ 0 0 44 -4,-2.4 4,-1.6 1,-0.2 3,-0.5 0.907 106.6 54.4 -62.0 -41.6 4.9 -27.2 42.1 180 180 A E H X S+ 0 0 24 -4,-2.1 4,-2.0 1,-0.2 -1,-0.2 0.881 104.8 55.5 -61.4 -36.4 6.3 -30.2 40.2 181 181 A N H X S+ 0 0 9 -4,-2.0 4,-2.7 2,-0.2 5,-0.5 0.792 100.3 58.6 -67.7 -27.5 9.5 -28.2 39.7 182 182 A X H X S+ 0 0 60 -4,-1.3 4,-2.2 -3,-0.5 -1,-0.2 0.930 109.4 44.8 -61.6 -44.7 9.8 -27.6 43.4 183 183 A Y H < S+ 0 0 109 -4,-1.6 -2,-0.2 1,-0.2 -1,-0.2 0.883 118.2 43.9 -65.0 -39.5 9.9 -31.4 43.9 184 184 A R H < S+ 0 0 129 -4,-2.0 -2,-0.2 -5,-0.2 -1,-0.2 0.884 132.8 13.8 -70.9 -41.9 12.4 -31.8 41.0 185 185 A F H < S- 0 0 56 -4,-2.7 -123,-0.3 1,-0.2 -3,-0.2 0.536 96.9-130.1-120.5 -14.2 14.8 -29.0 41.7 186 186 A G < - 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