==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=5-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER STRUCTURAL PROTEIN 09-JUN-01 1JCE . COMPND 2 MOLECULE: ROD SHAPE-DETERMINING PROTEIN MREB; . SOURCE 2 ORGANISM_SCIENTIFIC: THERMOTOGA MARITIMA; . AUTHOR F.VAN DEN ENT,L.A.AMOS,J.LOWE . 333 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15070.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 249 74.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 22 6.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 58 17.4 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 1.2 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 . 22 6.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 29 8.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 107 32.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 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 1 0 1 2 1 1 1 0 1 0 0 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 0 2 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 PARALLEL BRIDGES PER LADDER . 0 3 1 1 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 ANTIPARALLEL BRIDGES PER LADDER . 1 2 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 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 4 A K 0 0 125 0, 0.0 93,-1.5 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 119.7 -1.6 31.2 30.6 2 5 A D E -a 94 0A 23 15,-0.3 15,-2.4 91,-0.2 2,-0.4 -0.965 360.0-171.5-123.4 137.1 -0.3 27.7 29.7 3 6 A I E -aB 95 16A 0 91,-2.1 93,-1.7 -2,-0.4 2,-0.4 -0.958 16.8-146.6-131.8 146.8 3.0 26.7 28.1 4 7 A G E -aB 96 15A 0 11,-2.9 11,-2.8 -2,-0.4 2,-0.4 -0.888 22.0-159.1-106.0 138.7 4.6 23.6 26.7 5 8 A I E -aB 97 14A 0 91,-2.8 93,-2.2 -2,-0.4 2,-0.8 -0.968 20.6-170.1-129.9 125.3 8.4 23.4 27.1 6 9 A D E - B 0 13A 21 7,-3.0 7,-2.1 -2,-0.4 2,-1.5 -0.897 13.5-172.6-107.0 95.5 10.9 21.3 25.2 7 10 A L E - B 0 12A 16 -2,-0.8 5,-0.2 91,-0.3 -2,-0.0 -0.565 18.9-176.2 -89.5 68.8 14.0 21.9 27.3 8 11 A G - 0 0 17 -2,-1.5 54,-0.2 3,-1.2 -2,-0.0 -0.177 39.4-121.7 -69.0 160.0 16.4 20.1 25.0 9 12 A T S S+ 0 0 2 1,-0.1 53,-0.3 52,-0.1 -1,-0.1 0.806 115.6 24.2 -69.4 -26.9 20.1 19.5 25.6 10 13 A A S S+ 0 0 25 1,-0.3 17,-2.8 16,-0.1 2,-0.3 0.855 132.6 14.1-102.3 -54.4 20.7 21.5 22.4 11 14 A N E - C 0 26A 60 15,-0.3 -3,-1.2 16,-0.1 2,-0.4 -0.958 59.8-144.6-130.7 148.3 17.7 23.8 21.8 12 15 A T E -BC 7 25A 0 13,-3.2 13,-2.3 -2,-0.3 2,-0.4 -0.924 16.3-175.0-112.5 131.2 14.8 25.0 23.9 13 16 A L E -BC 6 24A 5 -7,-2.1 -7,-3.0 -2,-0.4 2,-0.4 -0.975 6.2-162.7-125.7 138.1 11.3 25.6 22.5 14 17 A V E -BC 5 23A 0 9,-2.3 8,-2.2 -2,-0.4 9,-1.3 -0.986 2.9-159.8-126.3 126.2 8.3 27.1 24.2 15 18 A F E -BC 4 21A 30 -11,-2.8 -11,-2.9 -2,-0.4 2,-0.6 -0.901 7.1-157.4-104.5 127.0 4.7 26.7 23.0 16 19 A L E >> -BC 3 20A 9 4,-3.1 4,-2.4 -2,-0.5 3,-2.1 -0.928 24.2-120.4-108.8 118.3 2.2 29.3 24.3 17 20 A R T 34 S+ 0 0 82 -15,-2.4 -15,-0.3 -2,-0.6 297,-0.0 -0.406 101.7 32.6 -58.3 108.0 -1.4 28.2 24.2 18 21 A G T 34 S+ 0 0 82 -2,-0.5 -1,-0.2 -17,-0.1 -3,-0.0 -0.021 129.8 24.4 134.8 -33.1 -2.9 30.9 22.0 19 22 A K T <4 S- 0 0 151 -3,-2.1 2,-0.3 1,-0.2 -2,-0.2 0.503 93.5-130.8-137.9 -12.1 -0.1 31.9 19.6 20 23 A G E < +C 16 0A 13 -4,-2.4 -4,-3.1 294,-0.0 2,-0.7 -0.730 68.1 18.5 103.3-147.8 2.3 29.0 19.2 21 24 A I E +C 15 0A 55 -2,-0.3 -6,-0.2 -6,-0.2 3,-0.1 -0.575 56.0 162.3 -71.3 108.6 6.1 28.9 19.4 22 25 A V E + 0 0 47 -8,-2.2 2,-0.4 -2,-0.7 -1,-0.2 0.525 64.9 43.2-104.3 -10.6 7.2 32.0 21.3 23 26 A V E +C 14 0A 3 -9,-1.3 -9,-2.3 2,-0.0 2,-0.2 -0.986 50.7 158.2-140.4 128.1 10.7 30.8 22.2 24 27 A N E +C 13 0A 88 -2,-0.4 -11,-0.2 -11,-0.2 286,-0.0 -0.747 28.9 137.3-148.7 91.5 13.2 28.9 20.0 25 28 A E E -C 12 0A 44 -13,-2.3 -13,-3.2 -2,-0.2 17,-0.1 -0.989 58.2 -93.1-142.6 147.7 16.7 29.4 21.4 26 29 A P E -C 11 0A 13 0, 0.0 2,-2.1 0, 0.0 -15,-0.3 -0.273 43.9-114.0 -56.9 145.5 19.9 27.3 21.9 27 30 A S S S+ 0 0 0 -17,-2.8 35,-0.4 14,-0.1 2,-0.4 -0.440 75.7 122.4 -82.0 65.3 19.9 25.9 25.5 28 31 A V - 0 0 3 -2,-2.1 14,-2.6 32,-0.2 2,-0.4 -0.972 39.3-172.4-130.7 143.5 23.0 27.9 26.4 29 32 A I E -FG 41 59B 0 30,-2.3 30,-3.4 -2,-0.4 2,-0.4 -1.000 8.1-156.0-136.9 136.0 23.6 30.5 29.2 30 33 A A E +FG 40 58B 0 10,-3.1 9,-3.4 -2,-0.4 10,-1.2 -0.943 15.9 179.6-115.8 135.1 26.6 32.7 29.7 31 34 A I E -FG 38 57B 30 26,-2.2 26,-2.3 -2,-0.4 2,-0.6 -0.863 40.2 -94.1-130.4 163.5 27.7 34.2 33.0 32 35 A D E > - G 0 56B 48 5,-2.4 4,-2.5 -2,-0.3 24,-0.2 -0.674 38.3-138.5 -74.1 119.6 30.3 36.4 34.6 33 36 A S T 4 S+ 0 0 55 22,-1.9 -1,-0.2 -2,-0.6 23,-0.1 0.642 96.7 35.9 -59.1 -15.0 32.8 33.8 35.8 34 37 A T T 4 S+ 0 0 127 21,-0.4 -1,-0.2 3,-0.1 22,-0.1 0.850 125.9 30.9-103.4 -50.0 33.4 35.7 39.0 35 38 A T T 4 S- 0 0 92 2,-0.1 -2,-0.2 1,-0.0 3,-0.1 0.666 91.5-131.6 -85.1 -18.9 30.0 37.3 40.0 36 39 A G < + 0 0 42 -4,-2.5 -3,-0.1 1,-0.3 2,-0.1 0.401 52.2 154.2 82.4 -3.6 27.7 34.6 38.6 37 40 A E - 0 0 128 -5,-0.1 -5,-2.4 -6,-0.1 -1,-0.3 -0.349 49.5-114.1 -63.1 131.7 25.7 37.3 36.9 38 41 A I E +F 31 0B 68 -7,-0.2 -7,-0.3 1,-0.2 3,-0.1 -0.504 35.7 175.5 -68.8 129.0 23.8 36.2 33.7 39 42 A L E - 0 0 60 -9,-3.4 2,-0.3 1,-0.4 -8,-0.2 0.853 63.0 -8.0 -98.7 -54.0 25.2 37.9 30.6 40 43 A K E -F 30 0B 79 -10,-1.2 -10,-3.1 2,-0.1 -1,-0.4 -0.984 52.6-162.3-146.0 153.8 23.2 36.3 27.8 41 44 A V E +F 29 0B 9 -2,-0.3 3,-0.4 -12,-0.2 2,-0.3 -0.998 61.0 9.0-136.7 136.1 20.9 33.4 27.3 42 45 A G S >> S- 0 0 0 -14,-2.6 4,-2.4 -2,-0.4 3,-0.7 -0.750 119.8 -5.2 103.8-147.4 20.1 31.7 23.9 43 46 A L H 3> S+ 0 0 83 -2,-0.3 4,-2.8 1,-0.3 -1,-0.2 0.904 130.0 55.1 -55.3 -49.6 21.7 32.3 20.6 44 47 A E H 34 S+ 0 0 113 -3,-0.4 -1,-0.3 1,-0.2 4,-0.1 0.812 111.2 47.5 -57.8 -28.3 24.0 35.1 21.7 45 48 A A H X> S+ 0 0 0 -3,-0.7 3,-1.8 -17,-0.2 4,-0.6 0.908 109.4 51.6 -77.8 -44.3 25.3 32.7 24.4 46 49 A K H >< S+ 0 0 42 -4,-2.4 3,-1.5 1,-0.3 -2,-0.2 0.895 101.5 62.3 -57.9 -39.5 25.8 29.8 22.0 47 50 A N T 3< S+ 0 0 81 -4,-2.8 -1,-0.3 1,-0.3 -2,-0.2 0.647 99.8 57.3 -61.3 -13.5 27.8 32.1 19.7 48 51 A X T X4 S+ 0 0 46 -3,-1.8 3,-2.5 -5,-0.2 4,-0.3 0.669 75.9 119.6 -90.7 -20.1 30.3 32.4 22.6 49 52 A I T << S+ 0 0 29 -3,-1.5 149,-0.1 -4,-0.6 147,-0.1 -0.211 87.4 5.0 -52.9 128.2 31.0 28.7 23.0 50 53 A G T 3 S+ 0 0 77 8,-0.1 -1,-0.3 1,-0.1 -2,-0.1 0.554 123.0 74.7 74.6 8.6 34.7 27.9 22.4 51 54 A K < + 0 0 158 -3,-2.5 -2,-0.2 2,-0.1 -1,-0.1 0.184 64.5 126.0-135.7 17.6 35.4 31.7 22.2 52 55 A T - 0 0 57 -4,-0.3 2,-0.1 6,-0.1 5,-0.0 -0.540 51.6-134.5 -88.9 145.8 35.2 32.9 25.7 53 56 A P > - 0 0 76 0, 0.0 3,-1.7 0, 0.0 -2,-0.1 -0.344 43.0 -94.7 -80.9 172.8 37.9 34.9 27.7 54 57 A A T 3 S+ 0 0 98 1,-0.3 -21,-0.1 -2,-0.1 -2,-0.1 0.745 123.3 66.7 -63.2 -21.4 38.5 33.8 31.3 55 58 A T T 3 S+ 0 0 90 -23,-0.1 -22,-1.9 -22,-0.1 -21,-0.4 0.572 99.9 55.5 -76.7 -7.9 36.0 36.4 32.5 56 59 A I E < -G 32 0B 41 -3,-1.7 2,-0.5 -24,-0.2 -24,-0.2 -0.971 60.8-163.3-131.2 141.7 33.0 34.6 30.8 57 60 A K E -G 31 0B 103 -26,-2.3 -26,-2.2 -2,-0.4 2,-0.5 -0.974 6.3-159.1-126.7 119.2 31.6 31.0 31.1 58 61 A A E -G 30 0B 28 -2,-0.5 2,-0.4 -28,-0.2 -28,-0.2 -0.854 20.2-167.1 -97.0 125.8 29.2 29.6 28.5 59 62 A I E -G 29 0B 13 -30,-3.4 -30,-2.3 -2,-0.5 -10,-0.0 -0.925 29.9-164.1-125.3 141.3 27.2 26.7 29.8 60 63 A R - 0 0 60 -2,-0.4 -32,-0.2 -32,-0.2 13,-0.1 -0.884 18.0-177.7-114.9 91.1 24.9 24.0 28.4 61 64 A P + 0 0 0 0, 0.0 7,-2.8 0, 0.0 8,-1.3 0.588 58.1 78.5 -68.3 -13.9 23.2 22.8 31.6 62 65 A X E +H 67 0C 6 -35,-0.4 2,-0.3 -53,-0.3 5,-0.2 -0.848 56.0 167.5-101.5 133.8 21.1 20.0 29.9 63 66 A R E > +H 66 0C 149 3,-2.8 3,-2.1 -2,-0.4 91,-0.1 -0.994 63.0 1.2-146.4 137.3 22.8 16.7 29.1 64 67 A D T 3 S- 0 0 33 -2,-0.3 3,-0.1 1,-0.3 -1,-0.1 0.842 128.9 -59.0 56.6 34.5 21.5 13.3 28.0 65 68 A G T 3 S+ 0 0 17 1,-0.2 -1,-0.3 90,-0.1 2,-0.2 0.404 122.3 81.1 78.0 -3.3 18.0 14.7 28.2 66 69 A V E < S-H 63 0C 8 -3,-2.1 -3,-2.8 33,-0.1 2,-0.4 -0.746 90.7 -74.9-129.8 177.0 18.2 15.7 31.8 67 70 A I E +H 62 0C 32 -2,-0.2 -5,-0.2 -5,-0.2 3,-0.2 -0.574 42.5 166.2 -74.4 125.8 19.6 18.3 34.2 68 71 A A S S+ 0 0 45 -7,-2.8 2,-0.3 -2,-0.4 -6,-0.2 0.609 76.7 33.9-111.5 -21.6 23.4 18.1 34.6 69 72 A D S > S- 0 0 68 -8,-1.3 4,-2.6 1,-0.2 -1,-0.2 -0.818 75.8-167.2-137.5 90.5 24.0 21.5 36.3 70 73 A Y H > S+ 0 0 66 -2,-0.3 4,-2.7 1,-0.2 -1,-0.2 0.881 78.0 41.2 -48.4 -63.6 21.0 22.3 38.5 71 74 A T H > S+ 0 0 96 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.891 118.0 47.6 -59.2 -41.5 21.3 25.9 39.5 72 75 A V H > S+ 0 0 22 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.935 113.2 48.5 -64.0 -46.2 22.4 27.1 36.0 73 76 A A H X S+ 0 0 2 -4,-2.6 4,-2.7 1,-0.2 -2,-0.2 0.899 109.6 55.6 -59.5 -39.7 19.6 25.1 34.4 74 77 A L H X S+ 0 0 20 -4,-2.7 4,-2.2 -5,-0.2 -2,-0.2 0.950 109.8 42.3 -58.7 -54.0 17.2 26.6 37.0 75 78 A V H X S+ 0 0 46 -4,-2.4 4,-2.1 1,-0.2 -1,-0.2 0.853 114.1 52.6 -65.2 -33.7 18.1 30.2 36.1 76 79 A X H X S+ 0 0 0 -4,-2.3 4,-2.1 2,-0.2 -1,-0.2 0.927 109.1 49.4 -66.6 -43.9 18.0 29.4 32.4 77 80 A L H X S+ 0 0 4 -4,-2.7 4,-2.5 1,-0.2 -2,-0.2 0.904 110.3 51.0 -61.2 -41.3 14.6 27.9 32.7 78 81 A R H X S+ 0 0 100 -4,-2.2 4,-3.0 1,-0.2 5,-0.2 0.909 107.5 53.8 -62.2 -42.1 13.3 30.9 34.6 79 82 A Y H X S+ 0 0 89 -4,-2.1 4,-2.5 1,-0.2 -1,-0.2 0.925 111.4 45.5 -57.3 -46.2 14.7 33.2 31.8 80 83 A F H X S+ 0 0 0 -4,-2.1 4,-2.5 2,-0.2 -2,-0.2 0.884 112.9 48.2 -66.6 -41.6 12.8 31.2 29.2 81 84 A I H X S+ 0 0 1 -4,-2.5 4,-2.4 2,-0.2 5,-0.2 0.942 112.3 50.5 -64.8 -45.2 9.5 31.1 31.1 82 85 A N H X>S+ 0 0 21 -4,-3.0 5,-1.4 1,-0.2 4,-0.8 0.936 112.5 46.8 -56.2 -47.8 9.8 34.9 31.8 83 86 A K H <5S+ 0 0 86 -4,-2.5 3,-0.5 -5,-0.2 -1,-0.2 0.884 109.8 53.7 -63.1 -38.5 10.4 35.4 28.1 84 87 A A H <5S+ 0 0 3 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.883 108.2 49.5 -63.8 -38.5 7.5 33.2 27.2 85 88 A K H <5S- 0 0 23 -4,-2.4 -1,-0.3 -5,-0.1 -2,-0.2 0.662 123.4-109.5 -72.9 -16.1 5.2 35.2 29.4 86 89 A G T <5S- 0 0 65 -4,-0.8 -3,-0.2 -3,-0.5 -2,-0.1 0.939 82.9 -11.4 84.8 58.5 6.5 38.3 27.7 87 90 A G S - 0 0 5 0, 0.0 3,-1.0 0, 0.0 71,-0.1 -0.428 31.4-126.2 -71.8 155.6 13.2 11.2 28.1 101 104 A I T 3 S+ 0 0 19 1,-0.2 70,-0.1 69,-0.1 26,-0.0 0.873 106.5 61.7 -70.6 -35.8 11.4 7.9 29.0 102 105 A G T 3 S+ 0 0 35 68,-0.1 -1,-0.2 70,-0.0 69,-0.1 0.263 77.2 133.5 -75.7 15.5 14.5 6.4 30.5 103 106 A I < - 0 0 8 -3,-1.0 2,-0.1 1,-0.1 -38,-0.0 -0.326 53.6-126.0 -66.2 146.4 14.6 9.2 33.1 104 107 A T > - 0 0 60 1,-0.1 4,-2.3 -2,-0.0 5,-0.1 -0.414 21.8-109.0 -88.5 168.9 15.1 8.2 36.8 105 108 A D H > S+ 0 0 121 2,-0.2 4,-2.0 1,-0.2 5,-0.1 0.887 120.8 48.9 -64.4 -38.2 12.9 9.1 39.7 106 109 A V H > S+ 0 0 99 2,-0.2 4,-2.3 1,-0.2 3,-0.3 0.970 111.8 45.9 -65.0 -55.1 15.6 11.4 41.0 107 110 A E H > S+ 0 0 41 1,-0.3 4,-1.8 2,-0.2 -40,-0.2 0.887 112.8 54.4 -54.3 -37.5 16.2 13.1 37.6 108 111 A R H X S+ 0 0 73 -4,-2.3 4,-1.5 1,-0.2 -1,-0.3 0.884 106.5 49.6 -64.4 -39.9 12.4 13.3 37.5 109 112 A R H X S+ 0 0 133 -4,-2.0 4,-2.4 -3,-0.3 -1,-0.2 0.861 106.5 56.5 -68.8 -35.6 12.3 15.1 40.9 110 113 A A H X S+ 0 0 25 -4,-2.3 4,-3.0 1,-0.2 -2,-0.2 0.925 106.8 47.9 -62.5 -45.3 14.9 17.6 39.8 111 114 A I H X S+ 0 0 4 -4,-1.8 4,-2.2 2,-0.2 -1,-0.2 0.854 112.2 49.3 -65.8 -35.3 12.9 18.8 36.8 112 115 A L H X S+ 0 0 0 -4,-1.5 4,-1.8 2,-0.2 -1,-0.2 0.913 113.4 46.9 -69.6 -41.9 9.7 19.1 38.8 113 116 A D H X S+ 0 0 56 -4,-2.4 4,-3.3 2,-0.2 5,-0.3 0.949 112.4 50.1 -63.2 -48.0 11.6 21.1 41.5 114 117 A A H X S+ 0 0 3 -4,-3.0 4,-2.8 1,-0.2 -2,-0.2 0.905 107.5 54.0 -56.5 -45.0 13.2 23.3 38.8 115 118 A G H <>S+ 0 0 1 -4,-2.2 5,-1.7 1,-0.2 4,-0.3 0.904 114.0 41.8 -57.4 -42.7 9.9 24.0 37.2 116 119 A L H ><5S+ 0 0 54 -4,-1.8 3,-1.4 3,-0.2 -2,-0.2 0.929 115.9 47.7 -70.9 -46.6 8.5 25.2 40.5 117 120 A E H 3<5S+ 0 0 106 -4,-3.3 -2,-0.2 1,-0.3 -1,-0.2 0.831 106.2 60.1 -63.1 -32.6 11.6 27.1 41.5 118 121 A A T 3<5S- 0 0 0 -4,-2.8 -1,-0.3 -5,-0.3 -2,-0.2 0.564 131.8 -86.0 -73.2 -9.5 11.7 28.7 38.0 119 122 A G T < 5S+ 0 0 9 -3,-1.4 2,-0.4 1,-0.3 -3,-0.2 0.681 77.9 141.0 114.6 21.3 8.2 30.2 38.6 120 123 A A < - 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0 0 55 0, 0.0 4,-2.2 0, 0.0 3,-1.3 -0.269 34.5-118.6 -53.3 134.7 2.9 -7.2 21.2 267 270 A P H 3> S+ 0 0 107 0, 0.0 4,-2.6 0, 0.0 5,-0.2 0.826 111.4 54.2 -43.6 -48.4 2.1 -8.9 17.9 268 271 A E H 3> S+ 0 0 152 1,-0.2 4,-1.2 2,-0.2 -123,-0.2 0.852 111.7 46.7 -60.5 -32.5 -1.2 -7.1 17.2 269 272 A L H <> S+ 0 0 21 -3,-1.3 4,-2.4 2,-0.2 -1,-0.2 0.896 109.1 53.4 -75.0 -39.6 0.7 -3.8 17.6 270 273 A V H X S+ 0 0 38 -4,-2.2 4,-2.3 1,-0.2 -2,-0.2 0.911 105.5 55.6 -58.4 -41.3 3.6 -5.0 15.3 271 274 A S H X S+ 0 0 59 -4,-2.6 4,-1.3 1,-0.2 -1,-0.2 0.892 108.4 48.3 -56.8 -42.4 0.9 -5.8 12.7 272 275 A D H X S+ 0 0 53 -4,-1.2 4,-3.1 1,-0.2 5,-0.3 0.907 109.6 51.5 -65.2 -44.9 -0.2 -2.2 12.9 273 276 A I H X S+ 0 0 0 -4,-2.4 4,-3.1 1,-0.2 -2,-0.2 0.870 103.9 57.3 -62.4 -39.6 3.3 -0.8 12.6 274 277 A I H < S+ 0 0 93 -4,-2.3 27,-0.4 1,-0.2 -1,-0.2 0.909 116.7 36.0 -58.8 -39.7 4.0 -2.9 9.5 275 278 A E H < S+ 0 0 161 -4,-1.3 -2,-0.2 -5,-0.2 -1,-0.2 0.888 124.8 39.7 -80.6 -40.7 1.0 -1.2 7.8 276 279 A R H < S- 0 0 70 -4,-3.1 -3,-0.2 -131,-0.2 -2,-0.2 0.836 100.0-141.3 -79.7 -35.1 1.4 2.2 9.3 277 280 A G < - 0 0 3 -4,-3.1 -130,-0.5 -5,-0.3 2,-0.4 -0.130 26.2 -63.0 93.4 166.2 5.1 2.7 9.2 278 281 A I E - l 0 302D 2 23,-3.3 25,-3.4 -132,-0.1 2,-0.6 -0.754 41.1-137.4 -94.2 134.6 7.7 4.2 11.6 279 282 A F E -jl 148 303D 24 -132,-2.8 -130,-3.2 -2,-0.4 2,-0.5 -0.817 17.7-161.7 -94.7 116.4 7.5 8.0 12.4 280 283 A L E +jl 149 304D 0 23,-2.9 25,-2.3 -2,-0.6 2,-0.3 -0.865 24.3 148.6-102.8 123.8 10.9 9.6 12.5 281 284 A T E +j 150 0D 0 -132,-2.9 -130,-2.6 -2,-0.5 3,-0.1 -0.879 13.2 77.7-146.0 174.8 11.3 12.9 14.3 282 285 A G S > S- 0 0 4 26,-0.4 3,-1.6 -2,-0.3 4,-0.3 0.059 77.7 -86.5 99.8 149.5 13.6 15.2 16.3 283 286 A G G > S+ 0 0 39 1,-0.3 3,-0.9 25,-0.3 -131,-0.2 0.785 124.9 56.8 -61.1 -29.9 16.4 17.5 15.3 284 287 A G G 3 S+ 0 0 8 -133,-2.5 3,-0.5 1,-0.2 -1,-0.3 0.574 95.3 67.0 -79.3 -7.3 19.0 14.7 15.5 285 288 A S G < S+ 0 0 0 -3,-1.6 -1,-0.2 -134,-0.7 5,-0.2 0.529 73.2 91.8 -89.1 -5.2 17.1 12.6 13.0 286 289 A L < + 0 0 84 -3,-0.9 -1,-0.2 -4,-0.3 -2,-0.1 0.435 50.9 130.4 -71.5 1.1 17.8 15.1 10.1 287 290 A L S > S- 0 0 10 -3,-0.5 3,-1.9 1,-0.1 4,-0.3 -0.302 73.6 -94.8 -55.9 137.0 20.9 13.2 9.0 288 291 A R B 3 S+o 209 0F 85 -80,-1.7 -78,-2.6 1,-0.3 -77,-0.5 -0.312 106.0 6.1 -58.3 128.7 20.8 12.6 5.2 289 292 A G T 3> S+ 0 0 15 -80,-0.2 4,-2.4 -79,-0.1 -1,-0.3 0.598 85.3 127.8 75.7 12.4 19.4 9.2 4.5 290 293 A L H <> S+ 0 0 4 -3,-1.9 4,-2.3 -5,-0.2 5,-0.2 0.898 78.3 45.8 -67.4 -39.9 18.5 8.2 8.0 291 294 A D H > S+ 0 0 40 -4,-0.3 4,-2.5 2,-0.2 5,-0.2 0.934 112.0 52.7 -66.1 -43.4 15.0 7.3 7.0 292 295 A T H > S+ 0 0 65 1,-0.2 4,-2.0 2,-0.2 -2,-0.2 0.913 111.5 46.5 -56.5 -45.5 16.4 5.4 4.0 293 296 A L H X S+ 0 0 8 -4,-2.4 4,-2.3 2,-0.2 -1,-0.2 0.907 112.4 47.8 -66.1 -45.6 18.7 3.4 6.3 294 297 A L H X S+ 0 0 1 -4,-2.3 4,-2.7 2,-0.2 6,-0.4 0.890 112.2 50.5 -64.3 -38.5 16.1 2.6 8.9 295 298 A Q H X S+ 0 0 82 -4,-2.5 4,-2.2 1,-0.2 5,-0.3 0.919 112.5 46.4 -66.1 -41.6 13.6 1.4 6.3 296 299 A K H < S+ 0 0 147 -4,-2.0 -2,-0.2 -5,-0.2 -1,-0.2 0.866 116.2 45.3 -68.7 -36.0 16.2 -0.8 4.7 297 300 A E H < S+ 0 0 59 -4,-2.3 -2,-0.2 -5,-0.1 -1,-0.2 0.880 123.8 31.9 -75.7 -40.2 17.3 -2.3 8.0 298 301 A T H < S- 0 0 25 -4,-2.7 -2,-0.2 2,-0.2 -3,-0.2 0.694 94.7-132.9 -90.4 -22.0 13.8 -2.9 9.4 299 302 A G S < S+ 0 0 68 -4,-2.2 2,-0.4 -5,-0.3 -3,-0.2 0.606 72.3 115.0 77.8 9.5 12.1 -3.6 6.1 300 303 A I S S- 0 0 18 -6,-0.4 -1,-0.3 -5,-0.3 -2,-0.2 -0.903 75.5-100.7-116.0 142.9 9.4 -1.2 7.4 301 304 A S - 0 0 65 -27,-0.4 -23,-3.3 -2,-0.4 2,-0.4 -0.323 33.6-152.9 -62.3 138.4 8.4 2.1 5.8 302 305 A V E -l 278 0D 12 -25,-0.2 2,-0.5 -11,-0.1 -23,-0.2 -0.956 7.0-165.5-117.9 131.5 9.8 5.2 7.6 303 306 A I E -l 279 0D 90 -25,-3.4 -23,-2.9 -2,-0.4 2,-0.2 -0.962 13.4-140.2-119.3 123.9 8.0 8.6 7.5 304 307 A R E -l 280 0D 75 -2,-0.5 -23,-0.2 -25,-0.2 2,-0.1 -0.569 26.9-113.1 -80.0 144.4 9.8 11.8 8.5 305 308 A S - 0 0 12 -25,-2.3 -1,-0.1 -2,-0.2 -169,-0.0 -0.373 13.1-134.7 -72.5 157.3 7.7 14.4 10.5 306 309 A E S S+ 0 0 194 1,-0.2 -1,-0.1 -170,-0.1 3,-0.1 0.750 102.9 34.3 -84.0 -26.7 6.9 17.7 8.8 307 310 A E S > S+ 0 0 95 1,-0.1 4,-1.6 2,-0.1 -1,-0.2 -0.603 70.6 162.1-127.5 69.3 7.8 19.8 11.9 308 311 A P T 4 S+ 0 0 29 0, 0.0 -26,-0.4 0, 0.0 -25,-0.3 0.748 73.7 45.7 -60.6 -27.9 10.7 17.8 13.4 309 312 A L T 4 S+ 0 0 95 -27,-0.2 4,-0.3 -3,-0.1 -26,-0.1 0.794 119.7 33.8 -89.7 -29.9 12.0 20.7 15.6 310 313 A T T > S+ 0 0 25 -3,-0.2 4,-2.4 1,-0.1 5,-0.2 0.572 88.2 94.7-103.4 -11.1 8.7 22.0 17.1 311 314 A A H X S+ 0 0 0 -4,-1.6 4,-2.7 1,-0.2 5,-0.2 0.880 85.5 49.4 -48.5 -50.1 6.6 18.9 17.5 312 315 A V H > S+ 0 0 8 -4,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.916 112.2 45.4 -60.1 -48.2 7.6 18.2 21.2 313 316 A A H > S+ 0 0 0 -4,-0.3 4,-1.8 2,-0.2 -298,-0.3 0.915 114.2 50.4 -63.0 -42.7 7.0 21.8 22.5 314 317 A K H X S+ 0 0 38 -4,-2.4 4,-2.5 1,-0.2 -2,-0.2 0.935 112.1 47.5 -59.6 -47.0 3.6 21.9 20.6 315 318 A G H X S+ 0 0 0 -4,-2.7 4,-2.0 -5,-0.2 -1,-0.2 0.846 106.8 56.1 -64.2 -36.5 2.6 18.5 22.1 316 319 A A H < S+ 0 0 0 -4,-2.2 4,-0.2 1,-0.2 -1,-0.2 0.896 113.7 41.0 -63.3 -40.0 3.6 19.5 25.6 317 320 A G H >< S+ 0 0 0 -4,-1.8 3,-1.1 1,-0.2 -2,-0.2 0.889 114.1 51.7 -75.0 -39.9 1.3 22.5 25.5 318 321 A X H >< S+ 0 0 61 -4,-2.5 3,-2.1 1,-0.2 -2,-0.2 0.786 93.7 71.9 -67.9 -28.9 -1.5 20.7 23.6 319 322 A V G >< S+ 0 0 0 -4,-2.0 3,-1.5 1,-0.3 7,-0.4 0.701 81.6 75.0 -61.3 -18.0 -1.6 17.8 26.2 320 323 A L G < S+ 0 0 8 -3,-1.1 -1,-0.3 1,-0.3 -2,-0.2 0.769 91.9 54.8 -65.1 -24.0 -3.2 20.3 28.6 321 324 A D G < S+ 0 0 106 -3,-2.1 -1,-0.3 -4,-0.2 2,-0.2 -0.035 94.2 75.7 -98.5 28.9 -6.4 20.0 26.6 322 325 A K X> + 0 0 53 -3,-1.5 4,-3.3 1,-0.1 3,-0.9 -0.615 56.0 179.3-140.7 75.5 -6.5 16.2 27.0 323 326 A V H 3> S+ 0 0 112 1,-0.3 4,-2.8 2,-0.2 5,-0.2 0.787 79.3 58.8 -46.6 -39.6 -7.6 15.4 30.5 324 327 A N H 34 S+ 0 0 109 2,-0.2 -1,-0.3 1,-0.2 4,-0.3 0.912 117.6 31.3 -61.3 -43.6 -7.4 11.7 30.0 325 328 A I H X> S+ 0 0 8 -3,-0.9 3,-1.4 2,-0.2 4,-0.6 0.912 119.5 53.4 -79.3 -46.1 -3.7 11.8 29.1 326 329 A L H >< S+ 0 0 23 -4,-3.3 3,-2.1 -7,-0.4 -3,-0.2 0.916 100.1 61.5 -54.4 -48.9 -2.9 14.8 31.3 327 330 A K T 3< S+ 0 0 150 -4,-2.8 -1,-0.3 1,-0.3 -2,-0.2 0.686 103.8 51.3 -54.8 -20.2 -4.4 13.1 34.4 328 331 A K T <4 S+ 0 0 173 -3,-1.4 -1,-0.3 -4,-0.3 -2,-0.2 0.594 87.8 100.3 -94.8 -12.0 -1.8 10.3 34.1 329 332 A L S << S- 0 0 21 -3,-2.1 2,-0.2 -4,-0.6 -203,-0.1 -0.491 80.9-111.6 -74.9 142.1 1.2 12.6 33.8 330 333 A Q + 0 0 97 -205,-0.4 -205,-2.2 -2,-0.2 2,-0.2 -0.507 47.9 171.0 -72.3 141.3 3.3 13.0 36.9 331 334 A G E -E 124 0A 29 -207,-0.2 2,-0.3 -2,-0.2 -207,-0.2 -0.810 22.6-152.3-141.8-177.9 3.1 16.5 38.3 332 335 A A E E 123 0A 12 -209,-1.7 -209,-1.9 -2,-0.2 -219,-0.0 -0.979 360.0 360.0-155.9 158.3 4.0 18.8 41.2 333 336 A G 0 0 75 -2,-0.3 -1,-0.1 -211,-0.2 0, 0.0 0.899 360.0 360.0 76.1 360.0 2.7 22.0 42.9