==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=14-JUN-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 10-DEC-07 2JYB . COMPND 2 MOLECULE: DIHYDROFOLATE REDUCTASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HALOFERAX VOLCANII; . AUTHOR A.A.F.B.BOROUJERDI,J.K.YOUNG . 162 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9683.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 105 64.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 24 14.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 12 7.4 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 . 1 0.6 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 16.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 12 7.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 23 14.2 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+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 1 0 0 1 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 3 1 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 . 0 0 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 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 0 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 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 0 113 0, 0.0 95,-0.2 0, 0.0 94,-0.1 0.000 360.0 360.0 360.0 24.1 -9.5 -2.6 -11.9 2 2 A E E -a 96 0A 95 93,-1.8 95,-1.5 92,-0.1 2,-0.4 -0.246 360.0-123.6 -77.8 170.4 -8.0 -5.3 -9.4 3 3 A L E +a 97 0A 17 93,-0.2 112,-1.5 109,-0.1 111,-0.4 -0.965 27.4 179.0-130.2 124.7 -6.8 -4.3 -5.8 4 4 A V E -ab 98 115A 2 93,-2.0 95,-1.4 -2,-0.4 2,-0.4 -0.971 24.2-130.8-136.5 132.0 -3.2 -4.9 -4.3 5 5 A S E -ab 99 116A 0 110,-1.5 112,-3.0 -2,-0.4 2,-0.6 -0.681 20.1-164.6 -92.6 125.9 -1.5 -4.1 -0.9 6 6 A V + 0 0 2 93,-2.9 112,-0.2 -2,-0.4 2,-0.2 -0.830 22.6 150.7-123.1 95.8 2.0 -2.4 -1.1 7 7 A A - 0 0 1 -2,-0.6 112,-2.8 110,-0.2 2,-0.3 -0.662 34.5-143.6-119.1 170.0 4.2 -2.3 2.2 8 8 A A E -c 119 0A 0 6,-0.2 8,-0.5 110,-0.2 112,-0.2 -0.901 17.0-154.4-138.0 113.0 7.9 -2.3 3.4 9 9 A L E -c 120 0A 26 110,-0.6 112,-2.0 -2,-0.3 6,-0.1 -0.535 11.5-163.2 -81.7 152.5 9.0 -4.2 6.6 10 10 A A - 0 0 1 -2,-0.2 2,-2.1 110,-0.1 115,-0.4 -0.448 62.1 -89.0-122.5 50.9 12.1 -3.2 8.8 11 11 A E S S+ 0 0 174 110,-0.3 2,-2.0 1,-0.1 115,-0.1 -0.356 117.2 85.3 62.1 -57.2 12.3 -6.6 10.7 12 12 A N S S- 0 0 70 -2,-2.1 -1,-0.1 113,-0.4 114,-0.0 -0.219 108.2 -97.9 -90.3 54.4 10.0 -5.2 13.4 13 13 A R S S+ 0 0 134 -2,-2.0 118,-1.3 1,-0.1 2,-0.5 0.564 72.3 148.7 48.5 21.1 6.3 -5.9 12.0 14 14 A V - 0 0 0 116,-0.2 2,-0.5 112,-0.1 -6,-0.2 -0.693 31.6-177.2 -95.8 123.1 5.8 -2.2 10.6 15 15 A I S S- 0 0 0 -2,-0.5 87,-0.5 1,-0.3 91,-0.2 -0.587 79.3 -32.6-109.6 69.3 3.6 -1.3 7.4 16 16 A G S S- 0 0 11 -2,-0.5 2,-1.3 -8,-0.5 87,-0.6 0.716 72.2-105.7 78.5 114.1 4.3 2.5 7.2 17 17 A R S S- 0 0 53 3,-1.0 2,-2.3 1,-0.1 3,-0.1 -0.487 77.5 -63.8 -77.9 85.9 4.9 4.5 10.5 18 18 A D S S- 0 0 71 -2,-1.3 30,-0.4 1,-0.2 29,-0.3 -0.424 120.2 -24.1 46.9 -62.4 1.5 6.3 10.6 19 19 A G S S+ 0 0 9 -2,-2.3 2,-0.3 28,-0.2 32,-0.2 0.048 111.5 85.3-165.6 63.1 2.6 8.1 7.4 20 20 A E - 0 0 90 -3,-0.1 -3,-1.0 31,-0.1 28,-0.1 -0.991 39.4-166.9-147.7 148.9 6.3 8.4 6.6 21 21 A L + 0 0 58 -2,-0.3 2,-0.3 -5,-0.1 0, 0.0 -0.704 21.3 166.3-121.7 80.8 9.1 6.3 5.0 22 22 A P + 0 0 62 0, 0.0 -1,-0.0 0, 0.0 0, 0.0 0.011 33.0 117.6 -89.9 36.9 12.4 8.2 6.0 23 23 A W + 0 0 29 -2,-0.3 3,-0.5 3,-0.1 102,-0.0 -0.713 37.0 175.0-111.8 86.4 15.0 5.4 5.0 24 24 A P + 0 0 104 0, 0.0 2,-0.0 0, 0.0 0, 0.0 0.019 55.1 63.3 -80.9-170.8 17.6 6.3 2.2 25 25 A S S S+ 0 0 121 1,-0.0 -2,-0.0 2,-0.0 0, 0.0 -0.013 93.1 81.5 69.9 -22.5 20.7 4.3 0.8 26 26 A I > + 0 0 21 -3,-0.5 4,-0.7 1,-0.1 3,-0.1 -0.699 41.7 151.9-105.3 81.6 18.0 1.6 -0.4 27 27 A P T 4 + 0 0 93 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.494 64.1 77.1 -80.6 -0.1 16.5 2.8 -3.8 28 28 A A T >> S+ 0 0 29 2,-0.2 3,-1.6 3,-0.1 4,-1.2 0.932 91.8 50.4 -75.0 -45.7 15.8 -0.9 -4.8 29 29 A D H >> S+ 0 0 0 1,-0.2 4,-2.5 2,-0.2 3,-1.2 0.985 111.5 50.4 -40.2 -60.8 12.7 -1.2 -2.5 30 30 A K H 3< S+ 0 0 68 -4,-0.7 -1,-0.2 1,-0.2 -2,-0.2 0.316 102.5 62.5 -72.9 15.9 11.6 2.1 -4.3 31 31 A K H <4 S+ 0 0 148 -3,-1.6 -1,-0.2 2,-0.1 -2,-0.2 0.689 114.9 30.3 -94.2 -32.6 12.3 0.4 -7.8 32 32 A Q H XX S+ 0 0 62 -3,-1.2 4,-2.2 -4,-1.2 3,-1.6 0.884 120.9 51.4 -88.1 -47.5 9.5 -2.4 -7.1 33 33 A Y H 3X S+ 0 0 25 -4,-2.5 4,-1.0 1,-0.2 -3,-0.2 0.771 119.2 40.5 -48.4 -33.0 7.3 -0.0 -4.9 34 34 A R H 34 S+ 0 0 141 -5,-0.4 -1,-0.2 2,-0.2 -2,-0.2 0.020 109.5 57.1-113.0 28.9 7.6 2.5 -7.9 35 35 A S H <4 S+ 0 0 83 -3,-1.6 3,-0.2 3,-0.0 -2,-0.2 0.521 115.7 37.7-115.9 -24.7 7.2 -0.1 -10.8 36 36 A R H < S+ 0 0 59 -4,-2.2 2,-1.6 1,-0.2 3,-0.2 0.935 123.1 46.4 -61.5 -64.3 3.8 -1.3 -9.4 37 37 A V S < S+ 0 0 3 -4,-1.0 -1,-0.2 -5,-0.3 5,-0.0 -0.555 83.8 122.4 -81.2 80.3 3.1 2.5 -8.5 38 38 A A S S- 0 0 58 -2,-1.6 -1,-0.2 -3,-0.2 -2,-0.1 0.786 86.3 -23.2-104.6 -83.1 4.2 4.0 -11.9 39 39 A D S S+ 0 0 126 -3,-0.2 19,-0.1 19,-0.2 -2,-0.1 -0.390 111.5 85.7-130.6 56.4 1.5 6.1 -13.8 40 40 A D S S- 0 0 44 17,-0.1 20,-0.6 54,-0.1 57,-0.0 -0.948 86.0 -53.7-150.5 167.2 -1.9 4.7 -12.3 41 41 A P E -d 60 0A 6 0, 0.0 57,-1.1 0, 0.0 2,-0.6 -0.142 45.9-155.7 -61.0 132.9 -4.3 5.3 -9.1 42 42 A V E -de 61 98A 0 18,-2.4 20,-1.7 55,-0.2 2,-0.6 -0.868 4.2-153.8-115.3 110.7 -2.8 5.2 -5.5 43 43 A V E +de 62 99A 2 55,-1.3 57,-2.7 -2,-0.6 58,-0.3 -0.698 37.9 140.3 -80.6 116.6 -4.9 4.3 -2.3 44 44 A L E -d 63 0A 0 18,-2.5 20,-2.9 -2,-0.6 2,-0.2 -0.912 43.8 -93.7-148.6 173.8 -3.2 5.9 0.8 45 45 A G E > -d 64 0A 2 56,-1.7 4,-1.5 -2,-0.2 20,-0.1 -0.566 34.1-104.5 -97.2 164.0 -4.0 7.8 4.2 46 46 A R T 4 S+ 0 0 106 18,-1.8 4,-0.5 -2,-0.2 -27,-0.1 0.570 113.8 57.0 -61.5 -14.8 -4.2 11.4 5.4 47 47 A T T >> S+ 0 0 37 -29,-0.3 3,-1.5 2,-0.1 4,-0.6 0.951 107.4 45.2 -72.4 -61.6 -0.7 11.4 7.3 48 48 A T H >> S+ 0 0 13 -30,-0.4 4,-3.2 1,-0.3 3,-0.6 0.753 103.0 68.2 -59.9 -24.2 1.5 10.3 4.2 49 49 A F H 3< S+ 0 0 4 -4,-1.5 -1,-0.3 2,-0.2 -2,-0.1 0.857 90.4 60.9 -50.7 -45.2 -0.5 13.0 2.0 50 50 A E H <4 S+ 0 0 115 -3,-1.5 -1,-0.2 -4,-0.5 -2,-0.2 0.710 113.4 37.6 -69.0 -11.5 1.2 15.8 4.2 51 51 A S H X< S+ 0 0 87 -3,-0.6 2,-2.3 -4,-0.6 3,-0.8 0.830 111.2 63.2 -81.7 -52.2 4.5 14.3 2.8 52 52 A M T 3< S+ 0 0 53 -4,-3.2 -1,-0.1 1,-0.2 -2,-0.1 -0.294 74.3 96.1 -71.7 61.4 2.9 13.6 -0.8 53 53 A R T 3 S+ 0 0 176 -2,-2.3 -1,-0.2 -3,-0.2 3,-0.1 0.565 80.7 48.1-113.4 -23.6 2.1 17.4 -1.6 54 54 A D S < S+ 0 0 175 -3,-0.8 2,-0.3 1,-0.3 -2,-0.1 0.940 125.2 12.1 -82.8 -59.3 5.3 18.1 -3.9 55 55 A D S S- 0 0 98 0, 0.0 -1,-0.3 0, 0.0 3,-0.0 -0.945 74.9-134.9-115.3 139.8 5.3 15.0 -6.3 56 56 A L - 0 0 54 -2,-0.3 -3,-0.0 -3,-0.1 5,-0.0 -0.835 15.4-133.3 -88.7 130.1 2.3 12.6 -6.7 57 57 A P S S- 0 0 20 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 0.805 79.4 -19.3 -52.4 -36.4 3.4 8.7 -6.7 58 58 A G S S- 0 0 12 -19,-0.1 -19,-0.2 -16,-0.1 -16,-0.1 -0.851 93.3 -56.2-154.7-160.6 1.1 8.0 -9.8 59 59 A S S S+ 0 0 63 -2,-0.2 2,-0.2 1,-0.2 -20,-0.1 0.355 113.2 33.0 -83.0 7.5 -1.9 9.2 -11.9 60 60 A A E -d 41 0A 2 -20,-0.6 -18,-2.4 2,-0.0 2,-1.2 -0.755 68.5-145.2-153.7 117.7 -4.8 9.5 -9.2 61 61 A Q E -d 42 0A 4 14,-0.4 16,-2.5 -2,-0.2 2,-0.5 -0.601 17.8-172.0 -84.2 93.7 -4.2 10.5 -5.5 62 62 A I E -df 43 77A 1 -20,-1.7 -18,-2.5 -2,-1.2 2,-0.5 -0.773 9.8-169.6 -89.0 118.9 -6.9 8.5 -3.5 63 63 A V E -df 44 78A 0 14,-2.4 16,-1.8 -2,-0.5 2,-0.3 -0.880 17.1-143.2-129.9 105.6 -6.7 9.8 0.2 64 64 A M E +df 45 79A 17 -20,-2.9 -18,-1.8 -2,-0.5 2,-0.3 -0.453 29.6 173.6 -67.0 120.8 -8.5 8.1 3.3 65 65 A S > - 0 0 10 14,-1.9 3,-0.7 -2,-0.3 -2,-0.0 -0.851 36.5-162.1-143.2 111.5 -9.8 10.9 5.8 66 66 A R T 3 S+ 0 0 217 -2,-0.3 14,-0.1 1,-0.3 -1,-0.1 0.192 101.1 50.6 -72.8 20.2 -12.0 10.7 9.0 67 67 A S T 3 S- 0 0 76 2,-0.0 -1,-0.3 0, 0.0 0, 0.0 -0.355 100.4-136.7-144.0 66.4 -12.6 14.5 8.6 68 68 A E < + 0 0 170 -3,-0.7 2,-0.3 1,-0.1 -2,-0.1 0.137 31.9 178.9 -13.9 84.4 -13.8 14.5 4.8 69 69 A R - 0 0 117 -4,-0.0 2,-0.8 2,-0.0 9,-0.1 -0.809 34.1-123.3-107.3 141.8 -12.0 17.5 3.1 70 70 A S - 0 0 133 -2,-0.3 2,-0.6 7,-0.1 7,-0.1 -0.718 31.6-157.2 -76.5 105.6 -12.0 18.8 -0.6 71 71 A F - 0 0 39 -2,-0.8 2,-1.0 5,-0.1 5,-0.2 -0.795 9.8-138.7 -87.8 121.2 -8.3 18.8 -1.6 72 72 A S + 0 0 126 -2,-0.6 2,-0.2 3,-0.1 3,-0.1 -0.695 55.9 116.7 -80.5 99.2 -7.4 21.2 -4.6 73 73 A V S S- 0 0 64 -2,-1.0 -20,-0.0 3,-0.2 0, 0.0 -0.693 77.5 -84.4-138.0-164.4 -4.8 19.2 -6.8 74 74 A D S S- 0 0 158 -2,-0.2 -1,-0.1 1,-0.1 -14,-0.0 0.988 111.8 -10.0 -75.3 -70.5 -5.0 17.9 -10.5 75 75 A T S S+ 0 0 65 -3,-0.1 -14,-0.4 2,-0.0 2,-0.2 -0.284 91.8 143.6-127.3 55.3 -6.9 14.4 -10.1 76 76 A A - 0 0 24 -5,-0.2 2,-0.3 -16,-0.2 -14,-0.2 -0.631 22.8-176.8 -91.4 144.8 -7.0 13.8 -6.3 77 77 A H E -f 62 0A 68 -16,-2.5 -14,-2.4 -2,-0.2 2,-0.1 -0.984 17.6-136.6-141.9 128.4 -10.1 12.2 -4.5 78 78 A R E -f 63 0A 87 -2,-0.3 2,-0.3 -16,-0.2 -14,-0.2 -0.428 18.9-149.2 -78.7 162.1 -10.8 11.5 -0.7 79 79 A A E -f 64 0A 1 -16,-1.8 -14,-1.9 1,-0.1 3,-0.1 -0.994 20.3-177.4-134.2 140.6 -12.3 8.1 0.7 80 80 A A - 0 0 69 -2,-0.3 2,-0.1 -16,-0.2 -1,-0.1 0.863 68.6 -10.2 -95.7 -53.4 -14.5 7.2 3.7 81 81 A S S > S- 0 0 44 1,-0.0 4,-0.7 28,-0.0 5,-0.1 -0.354 86.8 -72.6-122.6-159.8 -14.9 3.2 3.7 82 82 A V H > S+ 0 0 44 2,-0.1 4,-1.7 -2,-0.1 3,-0.3 0.923 130.6 48.5 -64.0 -51.2 -14.2 0.1 1.5 83 83 A E H > S+ 0 0 123 2,-0.2 4,-2.1 1,-0.2 5,-0.3 0.918 103.8 59.0 -59.6 -44.5 -17.1 1.2 -1.0 84 84 A E H 4 S+ 0 0 62 1,-0.2 4,-0.5 2,-0.2 -1,-0.2 0.816 115.0 36.3 -56.2 -36.5 -16.0 4.9 -1.3 85 85 A A H X S+ 0 0 2 -4,-0.7 4,-1.4 -3,-0.3 -1,-0.2 0.739 114.0 57.9 -85.6 -24.1 -12.5 3.8 -2.8 86 86 A V H X S+ 0 0 38 -4,-1.7 4,-2.4 2,-0.2 5,-0.2 0.967 103.3 50.3 -67.3 -52.9 -13.9 0.7 -4.8 87 87 A D H X S+ 0 0 116 -4,-2.1 4,-2.1 1,-0.2 -1,-0.1 0.843 111.0 49.2 -61.8 -33.3 -16.5 2.7 -7.1 88 88 A I H > S+ 0 0 27 -4,-0.5 4,-1.7 -5,-0.3 -1,-0.2 0.887 109.8 51.9 -66.4 -38.3 -13.7 5.3 -8.1 89 89 A A H X S+ 0 0 8 -4,-1.4 4,-0.6 2,-0.2 -2,-0.2 0.901 112.4 46.5 -60.9 -38.4 -11.3 2.3 -9.0 90 90 A A H >< S+ 0 0 55 -4,-2.4 3,-0.5 1,-0.2 -2,-0.2 0.907 115.4 46.1 -58.9 -47.3 -14.2 0.9 -11.1 91 91 A S H 3< S+ 0 0 103 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.688 106.9 58.0 -73.7 -20.4 -14.8 4.5 -12.7 92 92 A L H 3< S- 0 0 60 -4,-1.7 2,-1.9 -5,-0.1 -1,-0.2 0.580 89.0-150.1 -86.7 -9.8 -11.0 5.2 -13.4 93 93 A D << + 0 0 126 -4,-0.6 -1,-0.1 -3,-0.5 -4,-0.1 -0.222 41.8 144.7 78.6 -47.6 -10.6 1.9 -15.7 94 94 A A - 0 0 22 -2,-1.9 3,-0.2 -93,-0.1 -1,-0.1 0.503 62.6-101.9 0.4 145.8 -6.8 1.4 -14.8 95 95 A E S S- 0 0 126 1,-0.2 -93,-1.8 -94,-0.1 2,-0.3 0.964 93.9 -16.9 -53.5 -63.1 -4.9 -2.1 -14.4 96 96 A T E -a 2 0A 1 -95,-0.2 -1,-0.2 -60,-0.1 -93,-0.2 -0.948 57.1-139.7-151.1 125.0 -4.8 -2.2 -10.5 97 97 A A E -a 3 0A 3 -95,-1.5 -93,-2.0 -2,-0.3 2,-0.4 -0.552 30.2-143.1 -78.1 151.2 -5.4 0.4 -7.6 98 98 A Y E -ae 4 42A 8 -57,-1.1 -55,-1.3 -95,-0.2 2,-0.7 -0.952 10.4-139.6-136.9 124.8 -2.9 -0.1 -4.7 99 99 A V E +ae 5 43A 0 -95,-1.4 -93,-2.9 -2,-0.4 -55,-0.2 -0.677 21.9 174.9 -84.8 110.2 -3.0 0.3 -0.8 100 100 A I - 0 0 14 -57,-2.7 2,-0.2 -2,-0.7 -56,-0.2 0.932 33.8-163.6 -69.0 -55.7 0.2 2.0 0.7 101 101 A G - 0 0 3 -58,-0.3 -56,-1.7 -94,-0.1 -1,-0.2 -0.859 53.7-156.4 129.2 175.8 -0.5 2.4 4.5 102 102 A G >> - 0 0 2 -87,-0.5 4,-2.2 -86,-0.4 3,-0.6 0.303 61.6 -90.5 -83.1-148.9 -0.3 3.4 7.3 103 103 A A H 3> S+ 0 0 17 -87,-0.6 4,-2.4 1,-0.2 -86,-0.1 0.830 117.7 46.5 -65.3 -46.2 -1.9 0.9 9.8 104 104 A A H 3> S+ 0 0 74 2,-0.2 4,-1.1 1,-0.2 -1,-0.2 0.754 114.3 51.5 -67.3 -22.5 -5.7 1.9 10.2 105 105 A I H <> S+ 0 0 25 -3,-0.6 4,-1.5 2,-0.2 -2,-0.2 0.945 111.2 48.0 -67.7 -54.8 -6.0 2.1 6.3 106 106 A Y H X S+ 0 0 0 -4,-2.2 4,-2.0 -91,-0.2 -2,-0.2 0.893 107.3 58.5 -47.4 -46.7 -4.4 -1.5 6.1 107 107 A A H < S+ 0 0 31 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.935 110.6 37.1 -53.3 -58.6 -6.9 -2.8 8.9 108 108 A L H < S+ 0 0 74 -4,-1.1 -1,-0.2 1,-0.2 -2,-0.2 0.803 119.6 49.3 -66.3 -30.2 -10.3 -2.0 7.1 109 109 A F H >X S+ 0 0 1 -4,-1.5 3,-2.8 1,-0.1 4,-0.8 0.815 85.0 80.4 -84.0 -35.0 -9.0 -2.9 3.5 110 110 A Q G >< S+ 0 0 8 -4,-2.0 3,-0.8 1,-0.3 -1,-0.1 0.849 85.8 64.1 -45.8 -40.8 -7.2 -6.4 3.9 111 111 A P G 34 S+ 0 0 104 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.645 114.9 33.6 -49.6 -15.2 -10.8 -8.2 3.7 112 112 A H G <4 S+ 0 0 77 -3,-2.8 2,-1.0 -4,-0.1 -2,-0.2 0.405 89.7 99.7-121.7 -0.8 -10.9 -6.7 0.0 113 113 A L << - 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