==== 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 1JCF . COMPND 2 MOLECULE: ROD SHAPE-DETERMINING PROTEIN MREB; . SOURCE 2 ORGANISM_SCIENTIFIC: THERMOTOGA MARITIMA; . AUTHOR F.VAN DEN ENT,L.A.AMOS,J.LOWE . 335 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14895.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 257 76.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 23 6.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 57 17.0 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 . 27 8.1 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 31.9 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 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 0 1 2 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 2 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 . 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 1 A M 0 0 120 0, 0.0 3,-0.2 0, 0.0 4,-0.0 0.000 360.0 360.0 360.0 153.0 31.2 17.0 150.2 2 2 A L + 0 0 130 1,-0.3 2,-0.8 90,-0.0 92,-0.4 0.878 360.0 43.7 -82.0 -43.4 29.7 14.4 152.6 3 3 A R S S- 0 0 117 90,-0.1 -1,-0.3 93,-0.0 92,-0.1 -0.915 96.2-139.3-102.7 108.0 26.8 13.7 150.4 4 4 A K - 0 0 51 -2,-0.8 93,-2.7 90,-0.5 2,-0.6 -0.362 2.0-140.9 -70.4 148.7 28.2 13.5 146.9 5 5 A D E -a 97 0A 0 15,-0.3 15,-2.5 91,-0.2 2,-0.4 -0.956 27.3-170.4-110.6 112.3 26.5 15.0 143.9 6 6 A I E -aB 98 19A 0 91,-3.2 93,-2.6 -2,-0.6 2,-0.5 -0.894 17.2-163.2-115.4 136.4 26.9 12.7 140.9 7 7 A G E -aB 99 18A 0 11,-3.2 11,-3.5 -2,-0.4 2,-0.5 -0.959 15.8-164.4-114.3 128.4 26.0 13.1 137.2 8 8 A I E -aB 100 17A 0 91,-3.6 93,-2.3 -2,-0.5 2,-1.0 -0.942 22.7-168.4-125.8 122.7 25.8 10.0 135.1 9 9 A D E - B 0 16A 19 7,-3.2 7,-2.1 -2,-0.5 2,-1.5 -0.857 17.4-172.2 -99.7 94.8 25.8 9.4 131.4 10 10 A L E - B 0 15A 9 -2,-1.0 5,-0.2 91,-0.3 -2,-0.0 -0.567 17.6-179.1 -89.8 71.3 24.8 5.8 131.4 11 11 A G - 0 0 15 -2,-1.5 54,-0.2 3,-1.4 -2,-0.0 -0.207 41.7-119.7 -74.1 162.8 25.3 5.2 127.6 12 12 A T S S+ 0 0 2 1,-0.1 53,-0.2 52,-0.1 -1,-0.1 0.780 116.3 21.6 -69.0 -26.5 24.7 2.0 125.6 13 13 A A S S+ 0 0 23 1,-0.3 17,-2.7 16,-0.1 2,-0.3 0.812 132.1 19.9-107.0 -49.3 28.4 2.1 124.8 14 14 A N E - C 0 29A 63 15,-0.3 -3,-1.4 16,-0.1 2,-0.5 -0.950 58.5-148.2-130.0 148.2 30.2 4.1 127.4 15 15 A T E -BC 10 28A 0 13,-3.8 13,-2.3 -2,-0.3 2,-0.4 -0.963 15.2-174.0-116.5 124.3 29.4 5.3 130.9 16 16 A L E -BC 9 27A 5 -7,-2.1 -7,-3.2 -2,-0.5 2,-0.4 -0.946 4.5-163.8-117.6 137.3 30.7 8.6 132.2 17 17 A V E -BC 8 26A 0 9,-2.5 8,-2.5 -2,-0.4 9,-1.3 -0.988 1.2-162.2-126.7 128.8 30.3 9.8 135.7 18 18 A F E -BC 7 24A 28 -11,-3.5 -11,-3.2 -2,-0.4 2,-0.5 -0.913 2.3-161.5-109.6 133.0 30.8 13.4 136.9 19 19 A L E >> -BC 6 23A 13 4,-2.9 4,-2.8 -2,-0.4 3,-2.4 -0.969 26.9-119.0-115.5 119.1 31.4 14.2 140.5 20 20 A R T 34 S+ 0 0 65 -15,-2.5 -15,-0.3 -2,-0.5 297,-0.0 -0.338 101.5 22.8 -57.7 133.6 30.7 17.8 141.5 21 21 A G T 34 S+ 0 0 91 1,-0.1 -1,-0.3 -2,-0.0 -3,-0.0 0.381 130.3 45.2 90.6 -4.0 33.9 19.3 142.9 22 22 A K T <4 S- 0 0 162 -3,-2.4 2,-0.3 1,-0.1 -2,-0.2 0.556 91.0-141.1-138.7 -31.6 36.1 16.8 141.1 23 23 A G E < +C 19 0A 16 -4,-2.8 -4,-2.9 294,-0.1 2,-0.5 -0.704 63.0 4.7 101.6-153.7 35.0 16.4 137.5 24 24 A I E +C 18 0A 53 -2,-0.3 -6,-0.2 -6,-0.2 3,-0.1 -0.592 59.6 163.4 -72.8 117.9 34.8 13.2 135.4 25 25 A V E + 0 0 39 -8,-2.5 2,-0.4 -2,-0.5 -1,-0.2 0.461 63.2 44.0-113.7 -7.3 35.8 10.3 137.7 26 26 A V E +C 17 0A 4 -9,-1.3 -9,-2.5 2,-0.0 -1,-0.3 -0.984 49.9 160.0-143.3 128.4 34.5 7.4 135.7 27 27 A N E +C 16 0A 84 -2,-0.4 -11,-0.2 -11,-0.2 286,-0.0 -0.736 29.2 135.5-148.3 91.2 34.8 6.8 131.9 28 28 A E E -C 15 0A 43 -13,-2.3 -13,-3.8 -2,-0.2 17,-0.1 -0.977 58.1 -90.7-142.2 153.6 34.3 3.1 131.0 29 29 A P E -C 14 0A 12 0, 0.0 2,-2.0 0, 0.0 -15,-0.3 -0.302 42.3-116.1 -60.1 146.0 32.4 1.0 128.4 30 30 A S S S+ 0 0 0 -17,-2.7 35,-0.4 14,-0.1 2,-0.4 -0.402 74.5 122.6 -83.4 63.0 28.9 0.1 129.6 31 31 A V - 0 0 2 -2,-2.0 14,-3.1 32,-0.2 2,-0.4 -0.971 40.8-170.2-130.7 141.2 29.8 -3.6 129.6 32 32 A I E -FG 44 62B 0 30,-2.7 30,-3.8 -2,-0.4 2,-0.5 -0.998 9.7-154.0-130.5 132.3 29.6 -6.3 132.4 33 33 A A E +FG 43 61B 0 10,-3.0 9,-2.6 -2,-0.4 10,-1.6 -0.901 19.6 176.9-107.9 131.6 31.0 -9.8 132.1 34 34 A I E -FG 41 60B 28 26,-2.1 26,-2.4 -2,-0.5 2,-0.7 -0.876 41.4 -98.4-130.4 163.6 29.5 -12.5 134.2 35 35 A D E > - G 0 59B 41 5,-2.0 4,-2.2 -2,-0.3 24,-0.3 -0.749 36.8-141.5 -79.5 117.4 30.0 -16.3 134.7 36 36 A S T 4 S+ 0 0 55 22,-2.0 -1,-0.2 -2,-0.7 23,-0.1 0.669 93.9 38.4 -57.4 -19.7 27.2 -17.6 132.5 37 37 A T T 4 S+ 0 0 123 21,-0.5 -1,-0.2 3,-0.1 22,-0.1 0.875 126.5 26.7 -99.0 -48.8 26.3 -20.3 135.0 38 38 A T T 4 S- 0 0 97 2,-0.1 -2,-0.2 1,-0.0 3,-0.1 0.760 92.9-127.6 -88.0 -27.6 26.7 -18.9 138.5 39 39 A G < + 0 0 38 -4,-2.2 -3,-0.1 1,-0.3 2,-0.0 0.476 49.7 160.2 91.9 3.1 26.0 -15.2 137.7 40 40 A E - 0 0 119 -5,-0.1 -5,-2.0 1,-0.1 2,-0.6 -0.343 46.6-116.6 -60.2 136.2 29.2 -14.1 139.5 41 41 A I E +F 34 0B 73 -7,-0.2 -7,-0.2 1,-0.2 -1,-0.1 -0.657 38.9 172.9 -78.2 117.1 30.3 -10.7 138.4 42 42 A L E - 0 0 55 -9,-2.6 2,-0.3 -2,-0.6 -8,-0.2 0.902 58.4 -9.5 -90.9 -48.9 33.6 -11.1 136.6 43 43 A K E -F 33 0B 81 -10,-1.6 -10,-3.0 2,-0.0 2,-0.4 -0.991 50.0-159.7-151.6 156.1 34.4 -7.7 135.2 44 44 A V E +F 32 0B 13 -2,-0.3 3,-0.4 -12,-0.2 2,-0.4 -0.996 61.8 0.1-139.6 131.3 32.8 -4.3 134.6 45 45 A G S >> S+ 0 0 0 -14,-3.1 4,-2.2 -2,-0.4 3,-0.6 -0.761 120.5 0.7 101.9-141.5 34.0 -1.7 132.1 46 46 A L H 3> S+ 0 0 91 -2,-0.4 4,-2.3 1,-0.3 -1,-0.2 0.871 129.1 53.4 -58.3 -43.9 36.9 -1.9 129.7 47 47 A E H 34 S+ 0 0 117 -3,-0.4 -1,-0.3 1,-0.2 -2,-0.1 0.801 111.7 48.5 -64.0 -26.1 38.1 -5.4 130.7 48 48 A A H X4 S+ 0 0 0 -3,-0.6 3,-1.4 -17,-0.3 4,-0.4 0.891 109.1 51.0 -78.8 -41.2 34.5 -6.5 130.0 49 49 A K H >< S+ 0 0 45 -4,-2.2 3,-1.8 1,-0.3 -2,-0.2 0.885 101.1 62.8 -62.0 -39.1 34.3 -4.8 126.7 50 50 A N T 3< S+ 0 0 79 -4,-2.3 -1,-0.3 1,-0.3 -2,-0.2 0.616 98.8 58.7 -62.2 -10.7 37.5 -6.4 125.6 51 51 A M T X S+ 0 0 45 -3,-1.4 3,-2.6 -5,-0.2 4,-0.4 0.615 75.3 119.4 -92.7 -16.5 35.7 -9.7 125.9 52 52 A I T < S+ 0 0 28 -3,-1.8 149,-0.2 -4,-0.4 10,-0.0 -0.306 88.7 4.6 -57.1 123.6 33.0 -8.9 123.4 53 53 A G T 3 S+ 0 0 80 8,-0.1 -1,-0.3 -2,-0.1 -2,-0.1 0.569 124.7 73.6 78.0 10.3 33.1 -11.4 120.6 54 54 A K < + 0 0 156 -3,-2.6 -2,-0.2 2,-0.1 -4,-0.0 0.217 65.2 122.6-137.9 14.7 35.8 -13.3 122.3 55 55 A T - 0 0 56 -4,-0.4 2,-0.1 1,-0.1 5,-0.0 -0.540 54.5-130.4 -89.1 148.6 34.1 -15.1 125.2 56 56 A P > - 0 0 75 0, 0.0 3,-1.6 0, 0.0 -2,-0.1 -0.303 42.7 -95.1 -79.7 173.8 34.0 -18.9 126.0 57 57 A A T 3 S+ 0 0 98 1,-0.3 -2,-0.0 -2,-0.1 -21,-0.0 0.696 123.6 64.3 -67.4 -16.3 30.6 -20.4 126.7 58 58 A T T 3 S+ 0 0 82 -22,-0.1 -22,-2.0 -23,-0.1 -21,-0.5 0.531 99.7 58.7 -84.7 -5.4 31.2 -19.9 130.4 59 59 A I E < -G 35 0B 42 -3,-1.6 2,-0.5 -24,-0.3 -24,-0.2 -0.971 61.4-164.6-128.2 141.4 31.4 -16.1 130.2 60 60 A K E -G 34 0B 116 -26,-2.4 -26,-2.1 -2,-0.4 2,-0.7 -0.974 8.1-155.7-127.9 116.3 28.8 -13.7 129.0 61 61 A A E -G 33 0B 28 -2,-0.5 2,-0.4 -28,-0.2 -28,-0.3 -0.830 23.7-164.8 -91.4 114.9 29.8 -10.1 128.1 62 62 A I E -G 32 0B 18 -30,-3.8 -30,-2.7 -2,-0.7 3,-0.1 -0.857 28.8-163.9-113.8 139.5 26.7 -7.9 128.5 63 63 A R - 0 0 31 -2,-0.4 -32,-0.2 -32,-0.2 13,-0.1 -0.867 16.2-174.0-113.1 88.5 25.8 -4.4 127.4 64 64 A P + 0 0 0 0, 0.0 7,-3.2 0, 0.0 8,-1.7 0.665 62.5 72.4 -59.4 -21.2 22.7 -3.8 129.6 65 65 A M E +H 70 0C 2 -35,-0.4 2,-0.3 -53,-0.2 5,-0.2 -0.847 57.7 163.7-103.5 134.0 21.8 -0.5 128.0 66 66 A R E > +H 69 0C 84 3,-2.4 3,-1.9 -2,-0.4 91,-0.1 -0.994 63.6 8.9-147.9 141.1 20.4 -0.3 124.5 67 67 A D T 3 S- 0 0 42 -2,-0.3 3,-0.1 1,-0.3 -1,-0.1 0.838 129.1 -62.5 58.6 32.6 18.6 2.4 122.6 68 68 A G T 3 S+ 0 0 7 1,-0.2 -1,-0.3 34,-0.1 2,-0.2 0.480 121.2 80.9 74.1 2.9 19.4 4.8 125.4 69 69 A V E < S-H 66 0C 8 -3,-1.9 -3,-2.4 33,-0.1 2,-0.5 -0.749 92.5 -69.9-131.6 179.0 17.4 2.9 128.0 70 70 A I E +H 65 0C 28 -2,-0.2 -5,-0.2 -5,-0.2 3,-0.2 -0.600 41.6 170.2 -76.3 119.0 17.7 -0.2 130.2 71 71 A A S S+ 0 0 68 -7,-3.2 2,-0.4 -2,-0.5 -6,-0.2 0.810 78.3 26.9 -94.1 -38.1 17.6 -3.4 128.2 72 72 A D S > S- 0 0 54 -8,-1.7 4,-2.8 1,-0.2 -1,-0.3 -0.869 70.8-168.1-130.4 97.7 18.5 -5.8 131.1 73 73 A Y H > S+ 0 0 68 -2,-0.4 4,-2.9 1,-0.2 5,-0.2 0.897 82.9 48.0 -52.0 -58.0 17.5 -4.5 134.5 74 74 A T H > S+ 0 0 95 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.885 119.3 42.0 -55.4 -38.9 19.2 -6.8 136.9 75 75 A V H > S+ 0 0 17 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.856 112.1 53.4 -76.7 -36.4 22.5 -6.4 135.0 76 76 A A H X S+ 0 0 1 -4,-2.8 4,-3.1 2,-0.2 -2,-0.2 0.904 108.3 52.7 -63.4 -41.0 22.0 -2.6 134.5 77 77 A L H X S+ 0 0 14 -4,-2.9 4,-3.1 2,-0.2 5,-0.2 0.932 109.0 47.0 -59.8 -50.4 21.6 -2.3 138.3 78 78 A V H X S+ 0 0 43 -4,-1.6 4,-2.1 -5,-0.2 -1,-0.2 0.906 115.3 47.0 -60.0 -42.5 24.8 -4.1 139.1 79 79 A M H X S+ 0 0 0 -4,-2.1 4,-2.6 2,-0.2 -2,-0.2 0.945 113.3 48.1 -64.5 -48.3 26.7 -2.0 136.5 80 80 A L H X S+ 0 0 2 -4,-3.1 4,-2.6 1,-0.2 5,-0.2 0.922 111.9 49.4 -58.2 -46.9 25.2 1.2 137.8 81 81 A R H X S+ 0 0 87 -4,-3.1 4,-2.7 1,-0.2 5,-0.2 0.899 110.2 51.7 -60.1 -41.9 25.9 0.4 141.4 82 82 A Y H X S+ 0 0 97 -4,-2.1 4,-2.5 -5,-0.2 -2,-0.2 0.947 112.2 45.2 -60.3 -50.2 29.5 -0.5 140.5 83 83 A F H X S+ 0 0 0 -4,-2.6 4,-2.0 2,-0.2 -2,-0.2 0.883 114.1 48.3 -63.4 -40.1 30.0 2.8 138.7 84 84 A I H X S+ 0 0 0 -4,-2.6 4,-2.2 2,-0.2 5,-0.2 0.949 112.4 48.4 -66.0 -47.3 28.4 4.9 141.4 85 85 A N H X>S+ 0 0 54 -4,-2.7 5,-2.0 1,-0.2 4,-0.8 0.916 112.5 49.4 -57.5 -43.2 30.4 3.2 144.1 86 86 A K H <5S+ 0 0 93 -4,-2.5 3,-0.3 -5,-0.2 -1,-0.2 0.861 109.4 52.4 -64.5 -35.6 33.6 3.7 142.0 87 87 A A H <5S+ 0 0 5 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.850 109.1 49.2 -68.5 -34.9 32.6 7.4 141.6 88 88 A K H <5S- 0 0 13 -4,-2.2 -1,-0.2 -5,-0.1 -2,-0.2 0.614 108.4-126.8 -78.7 -14.3 32.2 7.8 145.4 89 89 A G T <5S- 0 0 72 -4,-0.8 -3,-0.2 -3,-0.3 -2,-0.1 0.915 79.3 -18.5 67.4 42.7 35.6 6.2 146.0 90 90 A G S - 0 0 4 0, 0.0 3,-1.5 0, 0.0 71,-0.1 -0.507 31.5-125.1 -75.2 149.7 16.7 10.0 125.7 104 104 A I T 3 S+ 0 0 20 1,-0.3 70,-0.1 -2,-0.1 26,-0.0 0.872 109.6 60.5 -62.5 -35.2 13.8 12.4 125.3 105 105 A G T 3 S+ 0 0 36 68,-0.1 -1,-0.3 70,-0.0 2,-0.2 0.211 77.5 130.3 -79.2 17.9 11.8 9.6 123.6 106 106 A I < - 0 0 12 -3,-1.5 2,-0.1 1,-0.1 -38,-0.0 -0.487 55.0-128.2 -73.5 140.6 11.9 7.6 126.8 107 107 A T > - 0 0 68 -2,-0.2 4,-2.4 1,-0.1 5,-0.2 -0.421 21.6-108.6 -85.7 164.6 8.6 6.2 128.0 108 108 A D H > S+ 0 0 127 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.849 121.3 52.1 -60.3 -35.2 7.2 6.5 131.6 109 109 A V H > S+ 0 0 118 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.918 111.0 46.1 -67.4 -43.6 7.9 2.8 132.2 110 110 A E H > S+ 0 0 42 1,-0.2 4,-1.4 2,-0.2 -2,-0.2 0.844 111.8 53.8 -66.9 -32.6 11.5 3.2 131.0 111 111 A R H X S+ 0 0 34 -4,-2.4 4,-2.0 2,-0.2 -2,-0.2 0.929 108.8 47.1 -66.7 -46.1 11.8 6.3 133.2 112 112 A R H X S+ 0 0 105 -4,-2.3 4,-2.8 1,-0.2 5,-0.2 0.878 106.8 58.1 -64.0 -38.4 10.6 4.5 136.3 113 113 A A H X S+ 0 0 28 -4,-2.0 4,-2.0 1,-0.2 -1,-0.2 0.886 109.8 44.4 -59.5 -39.4 13.0 1.6 135.7 114 114 A I H X S+ 0 0 2 -4,-1.4 4,-2.3 2,-0.2 -1,-0.2 0.874 111.8 51.5 -74.2 -38.1 15.9 4.0 135.7 115 115 A L H X S+ 0 0 0 -4,-2.0 4,-2.1 2,-0.2 -2,-0.2 0.931 113.0 46.3 -63.4 -44.4 14.7 5.9 138.8 116 116 A D H X S+ 0 0 59 -4,-2.8 4,-2.9 1,-0.2 5,-0.3 0.913 110.5 52.4 -64.2 -42.5 14.3 2.6 140.6 117 117 A A H X S+ 0 0 1 -4,-2.0 4,-2.0 -5,-0.2 -1,-0.2 0.900 108.3 52.8 -60.1 -40.3 17.7 1.3 139.5 118 118 A G H <>S+ 0 0 0 -4,-2.3 5,-2.0 2,-0.2 -1,-0.2 0.928 111.4 44.3 -61.4 -46.3 19.2 4.6 140.8 119 119 A L H ><5S+ 0 0 60 -4,-2.1 3,-1.5 1,-0.2 -2,-0.2 0.930 115.4 47.2 -65.5 -45.8 17.7 4.1 144.2 120 120 A E H 3<5S+ 0 0 107 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.808 105.4 62.4 -65.1 -28.5 18.6 0.4 144.4 121 121 A A T 3<5S- 0 0 2 -4,-2.0 -1,-0.3 -5,-0.3 -2,-0.2 0.488 129.5 -89.7 -76.3 -3.3 22.1 1.3 143.3 122 122 A G T < 5S+ 0 0 12 -3,-1.5 -3,-0.2 1,-0.3 2,-0.2 0.484 77.1 140.8 112.9 1.3 22.6 3.4 146.4 123 123 A A < - 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0 0 53 0, 0.0 4,-2.1 0, 0.0 3,-0.8 -0.234 34.7-119.9 -51.5 136.2 8.9 28.1 116.3 270 270 A P H 3> S+ 0 0 107 0, 0.0 4,-2.1 0, 0.0 5,-0.1 0.817 110.4 53.7 -48.4 -42.2 10.1 30.8 113.8 271 271 A E H 3> S+ 0 0 147 1,-0.2 4,-1.5 2,-0.2 -123,-0.2 0.882 111.5 46.7 -64.0 -37.1 11.7 33.1 116.4 272 272 A L H <> S+ 0 0 19 -3,-0.8 4,-2.5 2,-0.2 -1,-0.2 0.869 109.8 53.2 -70.6 -37.4 13.7 30.2 117.7 273 273 A V H X S+ 0 0 37 -4,-2.1 4,-2.2 1,-0.2 -2,-0.2 0.872 106.3 54.6 -63.8 -35.4 14.6 29.2 114.1 274 274 A S H X S+ 0 0 56 -4,-2.1 4,-1.2 -5,-0.2 -1,-0.2 0.894 109.2 47.1 -64.7 -39.5 15.8 32.8 113.7 275 275 A D H X S+ 0 0 50 -4,-1.5 4,-3.1 2,-0.2 5,-0.3 0.897 109.8 53.4 -67.5 -41.5 18.1 32.4 116.7 276 276 A I H X S+ 0 0 0 -4,-2.5 4,-3.9 1,-0.2 -2,-0.2 0.894 104.1 55.5 -62.0 -40.5 19.4 29.0 115.4 277 277 A I H < S+ 0 0 91 -4,-2.2 27,-0.4 1,-0.2 -1,-0.2 0.881 116.5 37.6 -59.7 -37.8 20.3 30.6 112.1 278 278 A E H < S+ 0 0 159 -4,-1.2 -2,-0.2 -5,-0.2 -1,-0.2 0.851 125.2 38.1 -82.0 -36.2 22.4 33.1 114.0 279 279 A R H < S- 0 0 93 -4,-3.1 -3,-0.2 1,-0.1 -2,-0.2 0.844 100.5-142.1 -84.1 -37.7 23.7 30.7 116.7 280 280 A G < - 0 0 7 -4,-3.9 -130,-0.5 -5,-0.3 2,-0.4 -0.235 28.2 -63.1 94.9 170.5 24.2 27.6 114.6 281 281 A I E -jl 150 305D 1 23,-3.3 25,-3.6 -132,-0.1 2,-0.6 -0.788 42.5-136.2 -97.7 137.9 23.6 24.0 115.4 282 282 A F E -jl 151 306D 27 -132,-2.8 -130,-3.3 -2,-0.4 2,-0.6 -0.847 17.6-162.6 -96.7 117.1 25.6 22.3 118.2 283 283 A L E +jl 152 307D 0 23,-3.4 25,-3.0 -2,-0.6 2,-0.3 -0.880 25.5 145.5-104.2 121.9 26.8 18.8 117.3 284 284 A T E +j 153 0D 0 -132,-2.8 -130,-2.2 -2,-0.6 3,-0.1 -0.850 11.8 81.8-145.4 177.4 27.9 16.6 120.1 285 285 A G S > S- 0 0 4 26,-0.6 3,-1.4 -2,-0.3 4,-0.2 0.013 78.2 -85.1 100.9 152.0 28.0 13.0 121.4 286 286 A G G > S+ 0 0 39 1,-0.3 3,-1.0 25,-0.2 -131,-0.2 0.840 126.0 54.6 -61.0 -33.9 30.4 10.1 120.8 287 287 A G G > S+ 0 0 6 -133,-2.2 3,-0.5 1,-0.2 -1,-0.3 0.554 94.1 70.3 -78.7 -5.6 28.5 9.1 117.7 288 288 A S G < + 0 0 0 -3,-1.4 -1,-0.2 -134,-0.7 5,-0.2 0.488 69.7 93.9 -88.5 -2.3 28.8 12.5 116.1 289 289 A L G < + 0 0 89 -3,-1.0 -1,-0.2 -4,-0.2 -2,-0.1 0.468 49.4 129.7 -73.0 1.0 32.5 12.2 115.5 290 290 A L S X S- 0 0 9 -3,-0.5 3,-1.8 1,-0.1 4,-0.3 -0.312 72.8 -97.2 -55.9 133.9 32.1 10.8 111.9 291 291 A R B 3 S+o 212 0F 84 -80,-1.8 -78,-2.5 1,-0.3 -77,-0.7 -0.295 104.0 5.6 -58.4 128.9 34.3 12.9 109.6 292 292 A G T 3> S+ 0 0 14 -80,-0.2 4,-2.7 -79,-0.2 -1,-0.3 0.631 86.5 127.3 74.2 13.8 32.5 15.7 107.8 293 293 A L H <> S+ 0 0 2 -3,-1.8 4,-2.4 2,-0.2 5,-0.2 0.878 77.9 47.1 -68.3 -38.9 29.2 15.1 109.7 294 294 A D H > S+ 0 0 39 -4,-0.3 4,-2.2 2,-0.2 5,-0.2 0.926 112.6 50.6 -66.2 -43.0 29.2 18.8 110.7 295 295 A T H > S+ 0 0 59 1,-0.2 4,-2.1 2,-0.2 -2,-0.2 0.916 111.6 47.5 -60.0 -45.9 29.9 19.7 107.0 296 296 A L H X S+ 0 0 19 -4,-2.7 4,-2.6 1,-0.2 -1,-0.2 0.936 112.6 47.3 -63.1 -48.1 27.1 17.5 105.8 297 297 A L H X S+ 0 0 0 -4,-2.4 4,-1.9 1,-0.2 6,-0.4 0.839 110.9 52.6 -63.1 -34.0 24.5 18.8 108.3 298 298 A Q H X S+ 0 0 84 -4,-2.2 4,-2.4 2,-0.2 5,-0.3 0.919 112.1 45.5 -67.9 -41.7 25.5 22.4 107.5 299 299 A K H < S+ 0 0 159 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.899 115.1 47.0 -67.4 -41.8 25.0 21.7 103.8 300 300 A E H < S+ 0 0 112 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.784 124.0 31.7 -71.3 -29.5 21.7 19.9 104.3 301 301 A T H < S- 0 0 34 -4,-1.9 -2,-0.2 2,-0.2 -1,-0.2 0.659 94.9-130.3-102.9 -20.1 20.3 22.6 106.7 302 302 A G S < S+ 0 0 70 -4,-2.4 2,-0.4 1,-0.3 -3,-0.2 0.520 73.9 114.2 80.1 4.6 21.9 25.7 105.3 303 303 A I S S- 0 0 14 -6,-0.4 -1,-0.3 -5,-0.3 -2,-0.2 -0.886 76.2-102.3-115.3 141.1 22.9 26.5 108.9 304 304 A S - 0 0 69 -2,-0.4 -23,-3.3 -27,-0.4 2,-0.5 -0.288 33.9-152.2 -56.9 135.2 26.4 26.6 110.5 305 305 A V E -l 281 0D 12 -25,-0.2 2,-0.4 -11,-0.1 -23,-0.2 -0.965 8.6-166.2-117.8 124.4 27.2 23.5 112.5 306 306 A I E -l 282 0D 91 -25,-3.6 -23,-3.4 -2,-0.5 2,-0.3 -0.929 15.1-134.3-111.4 131.5 29.5 23.8 115.5 307 307 A R E -l 283 0D 67 -2,-0.4 -23,-0.2 -25,-0.2 -25,-0.0 -0.606 28.1-104.0 -85.2 145.0 31.1 20.7 117.1 308 308 A S - 0 0 12 -25,-3.0 -1,-0.1 -2,-0.3 4,-0.1 -0.287 18.3-135.5 -62.3 149.6 31.2 20.3 120.9 309 309 A E S S+ 0 0 188 1,-0.3 -1,-0.1 -170,-0.1 -170,-0.0 0.835 104.8 22.4 -75.5 -34.2 34.6 20.9 122.5 310 310 A E S > S+ 0 0 64 1,-0.1 4,-1.4 2,-0.0 3,-0.3 -0.656 73.8 168.9-134.0 74.6 34.1 17.8 124.7 311 311 A P T 4 S+ 0 0 26 0, 0.0 -26,-0.6 0, 0.0 4,-0.3 0.718 75.6 49.6 -60.6 -25.4 31.6 15.6 122.8 312 312 A L T 4 S+ 0 0 83 -27,-0.2 4,-0.3 1,-0.1 -26,-0.2 0.825 117.4 34.8 -86.8 -32.6 32.1 12.6 125.0 313 313 A T T > S+ 0 0 22 -3,-0.3 4,-2.5 1,-0.1 5,-0.2 0.521 87.9 95.9-101.3 -6.9 31.8 14.1 128.5 314 314 A A H X S+ 0 0 0 -4,-1.4 4,-2.7 1,-0.2 -176,-0.3 0.883 84.4 48.8 -51.1 -50.4 29.1 16.8 127.9 315 315 A V H > S+ 0 0 7 -4,-0.3 4,-2.4 1,-0.2 -1,-0.2 0.926 114.1 44.3 -60.0 -47.1 26.1 14.7 129.1 316 316 A A H > S+ 0 0 0 -4,-0.3 4,-2.0 2,-0.2 -298,-0.3 0.903 113.8 51.5 -65.6 -41.1 27.8 13.6 132.4 317 317 A K H X S+ 0 0 37 -4,-2.5 4,-3.0 1,-0.2 -2,-0.2 0.950 112.5 45.6 -60.1 -49.3 29.1 17.0 133.1 318 318 A G H X S+ 0 0 0 -4,-2.7 4,-2.5 -5,-0.2 -2,-0.2 0.891 109.2 54.9 -61.5 -41.2 25.7 18.6 132.6 319 319 A A H < S+ 0 0 0 -4,-2.4 4,-0.4 -5,-0.2 -1,-0.2 0.893 114.1 41.7 -60.3 -39.9 23.9 15.9 134.7 320 320 A G H >< S+ 0 0 0 -4,-2.0 3,-1.6 -5,-0.2 4,-0.2 0.955 114.1 51.5 -71.5 -48.9 26.2 16.7 137.6 321 321 A M H >< S+ 0 0 53 -4,-3.0 3,-2.1 1,-0.3 -2,-0.2 0.807 96.5 66.9 -57.4 -36.5 26.1 20.5 137.1 322 322 A V G >< S+ 0 0 0 -4,-2.5 3,-2.0 1,-0.3 7,-0.4 0.738 85.0 74.1 -60.3 -21.8 22.3 20.7 137.1 323 323 A L G < S+ 0 0 7 -3,-1.6 -1,-0.3 -4,-0.4 -2,-0.2 0.709 99.5 45.3 -64.2 -18.7 22.4 19.6 140.7 324 324 A D G < S+ 0 0 110 -3,-2.1 2,-0.4 -4,-0.2 -1,-0.3 0.188 98.2 78.4-108.0 13.4 23.6 23.1 141.5 325 325 A K X> - 0 0 52 -3,-2.0 4,-2.7 1,-0.2 3,-1.9 -0.675 59.0-177.7-124.5 75.8 21.0 24.8 139.2 326 326 A V H 3> S+ 0 0 80 -2,-0.4 4,-3.4 1,-0.3 5,-0.2 0.797 76.4 60.8 -40.0 -49.1 17.8 24.7 141.3 327 327 A N H 34 S+ 0 0 98 1,-0.2 4,-0.4 2,-0.2 -1,-0.3 0.805 116.2 33.1 -56.1 -31.9 15.6 26.3 138.6 328 328 A I H X> S+ 0 0 4 -3,-1.9 3,-1.0 -6,-0.2 4,-0.5 0.870 116.6 54.9 -89.7 -43.9 16.3 23.4 136.2 329 329 A L H >< S+ 0 0 20 -4,-2.7 3,-1.7 -7,-0.4 -2,-0.2 0.894 99.9 63.1 -54.7 -42.7 16.6 20.7 138.9 330 330 A K T 3< S+ 0 0 155 -4,-3.4 -1,-0.3 1,-0.3 -2,-0.2 0.826 103.0 49.2 -51.3 -37.6 13.2 21.6 140.2 331 331 A K T <4 S+ 0 0 143 -3,-1.0 -1,-0.3 -4,-0.4 -2,-0.2 0.520 90.3 100.4 -84.2 -6.7 11.6 20.6 136.8 332 332 A L S << S- 0 0 23 -3,-1.7 2,-0.2 -4,-0.5 -203,-0.1 -0.482 80.4-108.5 -81.7 150.3 13.3 17.2 136.5 333 333 A Q E +E 128 0A 63 -205,-0.5 -205,-2.2 -2,-0.2 2,-0.3 -0.561 50.2 173.9 -73.7 140.7 11.5 14.0 137.4 334 334 A G E E 127 0A 33 -207,-0.2 -207,-0.2 -2,-0.2 -219,-0.1 -0.893 360.0 360.0-143.6 174.0 12.9 12.5 140.6 335 335 A A 0 0 39 -209,-2.0 -209,-2.7 -2,-0.3 -2,-0.0 -0.979 360.0 360.0-156.9 360.0 12.6 9.8 143.2