==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER METAL TRANSPORT 05-DEC-08 2W57 . COMPND 2 MOLECULE: FERRIC UPTAKE REGULATION PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: VIBRIO CHOLERAE; . AUTHOR M.A.SHEIKH,G.L.TAYLOR . 262 2 2 2 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14383.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 189 72.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 10 3.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 43 16.4 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.8 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 . 19 7.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 19 7.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 89 34.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 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 0 0 2 0 0 4 0 0 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 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 PARALLEL BRIDGES PER LADDER . 0 2 0 2 1 1 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 2 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 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 D > 0 0 154 0, 0.0 4,-1.7 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 140.5 -32.1 -12.2 -18.3 2 4 A N H > + 0 0 38 1,-0.2 4,-1.3 2,-0.2 5,-0.1 0.698 360.0 56.9 -71.4 -23.4 -33.8 -10.5 -15.3 3 5 A N H > S+ 0 0 55 2,-0.2 4,-2.5 3,-0.1 5,-0.2 0.896 106.1 49.8 -68.3 -43.8 -35.8 -13.7 -14.5 4 6 A Q H > S+ 0 0 93 1,-0.2 4,-3.6 2,-0.2 -2,-0.2 0.925 107.2 53.2 -64.4 -46.4 -32.6 -15.7 -14.2 5 7 A A H X S+ 0 0 48 -4,-1.7 4,-0.6 2,-0.2 -1,-0.2 0.909 112.3 45.9 -53.8 -46.3 -30.9 -13.2 -11.8 6 8 A L H ><>S+ 0 0 0 -4,-1.3 5,-2.1 2,-0.2 3,-1.2 0.953 116.4 43.7 -62.0 -51.7 -34.0 -13.3 -9.5 7 9 A K H ><5S+ 0 0 109 -4,-2.5 3,-1.8 1,-0.3 -2,-0.2 0.883 109.9 56.9 -63.4 -38.4 -34.2 -17.1 -9.6 8 10 A D H 3<5S+ 0 0 127 -4,-3.6 -1,-0.3 1,-0.3 -2,-0.2 0.593 102.7 55.5 -72.1 -9.9 -30.5 -17.4 -9.1 9 11 A A T <<5S- 0 0 29 -3,-1.2 -1,-0.3 -4,-0.6 -2,-0.2 0.228 123.2-104.9 -99.8 10.7 -30.7 -15.4 -5.9 10 12 A G T < 5S+ 0 0 71 -3,-1.8 2,-0.6 1,-0.2 -3,-0.2 0.556 81.2 133.2 79.2 8.2 -33.3 -17.8 -4.5 11 13 A L < - 0 0 25 -5,-2.1 -1,-0.2 -6,-0.2 -2,-0.2 -0.838 58.3-124.2-102.3 122.9 -36.0 -15.3 -5.1 12 14 A K - 0 0 157 -2,-0.6 2,-0.4 1,-0.1 5,-0.1 -0.262 35.4-105.7 -53.4 140.5 -39.3 -16.2 -6.8 13 15 A V + 0 0 43 4,-0.1 2,-0.3 3,-0.0 -1,-0.1 -0.620 51.7 157.8 -76.5 125.1 -40.1 -14.2 -9.9 14 16 A T > - 0 0 40 -2,-0.4 4,-2.0 1,-0.1 5,-0.1 -0.946 48.3-112.7-143.5 162.8 -42.9 -11.5 -9.4 15 17 A L H > S+ 0 0 112 -2,-0.3 4,-2.5 1,-0.2 5,-0.2 0.888 113.6 50.1 -74.3 -44.7 -43.7 -8.3 -11.3 16 18 A P H > S+ 0 0 40 0, 0.0 4,-2.1 0, 0.0 5,-0.3 0.916 111.4 52.7 -52.8 -43.0 -42.9 -5.7 -8.6 17 19 A R H > S+ 0 0 25 1,-0.2 4,-2.0 2,-0.2 -2,-0.2 0.929 111.4 44.8 -58.8 -47.2 -39.5 -7.5 -8.2 18 20 A L H X S+ 0 0 33 -4,-2.0 4,-3.0 1,-0.2 -1,-0.2 0.899 114.4 48.5 -61.1 -44.7 -38.8 -7.3 -12.0 19 21 A K H X S+ 0 0 49 -4,-2.5 4,-1.3 2,-0.2 -1,-0.2 0.773 113.1 46.5 -71.1 -32.0 -39.9 -3.7 -12.2 20 22 A I H X S+ 0 0 0 -4,-2.1 4,-2.1 -5,-0.2 -1,-0.2 0.847 113.6 48.8 -79.0 -36.1 -37.8 -2.6 -9.2 21 23 A L H X S+ 0 0 5 -4,-2.0 4,-1.5 -5,-0.3 -2,-0.2 0.948 106.6 56.5 -67.4 -48.8 -34.8 -4.5 -10.5 22 24 A E H >< S+ 0 0 111 -4,-3.0 3,-0.8 1,-0.2 4,-0.5 0.925 109.4 47.0 -39.3 -53.9 -35.2 -2.9 -13.9 23 25 A V H >< S+ 0 0 2 -4,-1.3 3,-1.9 1,-0.2 -1,-0.2 0.929 105.8 57.6 -61.1 -44.6 -35.0 0.5 -12.3 24 26 A L H 3< S+ 0 0 5 -4,-2.1 56,-0.3 1,-0.3 -1,-0.2 0.749 103.3 56.2 -58.2 -24.9 -31.9 -0.5 -10.2 25 27 A Q T << S+ 0 0 90 -4,-1.5 -1,-0.3 -3,-0.8 -2,-0.2 0.552 77.7 112.2 -84.6 -11.8 -30.1 -1.3 -13.5 26 28 A Q S X S- 0 0 53 -3,-1.9 3,-2.8 -4,-0.5 -3,-0.0 -0.471 76.4-123.4 -68.7 131.0 -30.6 2.1 -15.1 27 29 A P G > S+ 0 0 115 0, 0.0 3,-0.7 0, 0.0 -1,-0.1 0.790 110.3 47.3 -43.4 -39.7 -27.2 3.9 -15.4 28 30 A E G 3 S+ 0 0 123 1,-0.2 3,-0.2 2,-0.1 -2,-0.1 0.369 103.2 62.4 -89.6 0.8 -28.4 7.0 -13.4 29 31 A C G < + 0 0 1 -3,-2.8 -1,-0.2 -6,-0.2 3,-0.1 -0.034 62.5 123.3-111.8 27.6 -30.0 4.9 -10.5 30 32 A Q S < S+ 0 0 95 -3,-0.7 2,-0.4 1,-0.2 50,-0.3 0.753 82.8 26.9 -62.0 -28.5 -26.7 3.4 -9.5 31 33 A H S S+ 0 0 27 -3,-0.2 2,-0.3 48,-0.1 48,-0.2 -0.982 86.6 159.0-133.3 122.2 -27.1 4.7 -5.9 32 34 A I E -A 78 0A 3 46,-2.6 46,-3.7 -2,-0.4 2,-0.2 -0.997 34.7-133.9-155.1 138.4 -30.7 5.2 -4.8 33 35 A S E > -A 77 0A 3 -2,-0.3 4,-2.6 44,-0.3 5,-0.2 -0.516 36.6-110.1 -83.3 159.9 -33.0 5.5 -1.8 34 36 A A H > S+ 0 0 0 42,-0.6 4,-1.9 1,-0.2 -1,-0.1 0.816 120.1 51.8 -53.2 -33.8 -36.3 3.6 -1.5 35 37 A E H > S+ 0 0 68 2,-0.2 4,-2.9 1,-0.2 -1,-0.2 0.928 109.9 45.9 -72.8 -45.6 -38.1 7.0 -1.9 36 38 A E H > S+ 0 0 54 1,-0.2 4,-2.1 2,-0.2 -2,-0.2 0.925 113.5 50.8 -64.9 -43.0 -36.3 8.0 -5.0 37 39 A L H X S+ 0 0 0 -4,-2.6 4,-2.1 2,-0.2 -1,-0.2 0.882 110.3 49.4 -60.4 -43.1 -36.9 4.5 -6.4 38 40 A Y H X S+ 0 0 80 -4,-1.9 4,-1.8 -5,-0.2 -2,-0.2 0.945 110.5 50.7 -58.3 -50.7 -40.6 4.8 -5.6 39 41 A K H X S+ 0 0 123 -4,-2.9 4,-2.0 2,-0.2 -2,-0.2 0.831 108.0 52.4 -58.2 -37.6 -40.7 8.3 -7.3 40 42 A K H X S+ 0 0 68 -4,-2.1 4,-1.6 2,-0.2 -1,-0.2 0.948 108.2 51.4 -61.6 -49.9 -39.1 6.9 -10.4 41 43 A L H <>S+ 0 0 3 -4,-2.1 5,-2.3 1,-0.2 -2,-0.2 0.838 107.4 53.0 -55.9 -38.3 -41.7 4.2 -10.6 42 44 A I H ><5S+ 0 0 72 -4,-1.8 3,-1.9 1,-0.2 -1,-0.2 0.942 109.4 48.2 -62.1 -48.2 -44.4 6.8 -10.3 43 45 A D H 3<5S+ 0 0 141 -4,-2.0 -2,-0.2 1,-0.3 -1,-0.2 0.724 106.0 59.7 -62.4 -25.9 -42.9 8.7 -13.2 44 46 A L T 3<5S- 0 0 90 -4,-1.6 -1,-0.3 -5,-0.1 -2,-0.2 0.368 122.0-107.6 -84.9 5.4 -42.8 5.4 -15.1 45 47 A G T < 5S+ 0 0 58 -3,-1.9 -3,-0.2 1,-0.3 -2,-0.1 0.490 74.0 138.2 83.3 3.7 -46.6 5.0 -14.7 46 48 A E < - 0 0 51 -5,-2.3 -1,-0.3 -6,-0.2 -2,-0.0 -0.346 48.7-150.4 -78.6 162.3 -46.4 2.2 -12.1 47 49 A E + 0 0 172 -2,-0.1 2,-0.3 2,-0.1 -1,-0.1 0.219 46.7 136.8-113.7 9.1 -48.6 1.9 -8.9 48 50 A I - 0 0 21 -7,-0.1 -2,-0.1 -10,-0.1 -6,-0.1 -0.440 50.2-135.9 -62.3 118.3 -46.1 0.1 -6.7 49 51 A G > - 0 0 32 -2,-0.3 4,-1.7 1,-0.1 3,-0.1 -0.190 19.8-107.6 -71.2 168.9 -46.4 1.8 -3.3 50 52 A L H > S+ 0 0 58 1,-0.2 4,-2.7 2,-0.2 5,-0.1 0.790 116.9 61.4 -72.5 -28.8 -43.4 2.7 -1.2 51 53 A A H > S+ 0 0 79 2,-0.2 4,-2.9 1,-0.2 -1,-0.2 0.913 105.8 47.6 -61.5 -41.9 -44.0 -0.1 1.4 52 54 A T H > S+ 0 0 40 2,-0.2 4,-3.6 1,-0.2 5,-0.3 0.942 108.5 54.7 -62.8 -47.2 -43.5 -2.7 -1.5 53 55 A V H X S+ 0 0 0 -4,-1.7 4,-2.8 1,-0.2 -2,-0.2 0.940 112.7 43.5 -51.9 -50.4 -40.4 -0.9 -2.6 54 56 A Y H X S+ 0 0 69 -4,-2.7 4,-2.5 2,-0.2 -1,-0.2 0.934 112.9 50.2 -58.8 -49.6 -39.0 -1.3 0.9 55 57 A R H X S+ 0 0 117 -4,-2.9 4,-1.8 1,-0.2 -2,-0.2 0.945 115.1 45.0 -57.7 -46.1 -40.2 -4.9 1.2 56 58 A V H X S+ 0 0 0 -4,-3.6 4,-2.7 2,-0.2 -2,-0.2 0.914 111.0 51.7 -64.5 -46.5 -38.5 -5.7 -2.1 57 59 A L H X S+ 0 0 0 -4,-2.8 4,-2.2 -5,-0.3 -1,-0.2 0.880 109.8 51.0 -60.3 -38.5 -35.3 -3.9 -1.4 58 60 A N H X S+ 0 0 64 -4,-2.5 4,-2.4 2,-0.2 -1,-0.2 0.891 110.3 48.4 -58.7 -44.9 -35.0 -5.7 1.9 59 61 A Q H X S+ 0 0 48 -4,-1.8 4,-2.1 1,-0.2 -2,-0.2 0.885 112.6 49.2 -64.8 -39.5 -35.5 -9.1 0.1 60 62 A F H <>S+ 0 0 0 -4,-2.7 5,-2.0 2,-0.2 6,-1.4 0.868 108.4 54.9 -65.7 -38.2 -32.8 -8.0 -2.4 61 63 A D H ><5S+ 0 0 48 -4,-2.2 3,-1.1 4,-0.2 -2,-0.2 0.965 112.4 41.0 -58.4 -54.0 -30.5 -7.0 0.5 62 64 A D H 3<5S+ 0 0 133 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.832 112.9 54.5 -65.2 -35.1 -30.7 -10.5 2.1 63 65 A A T 3<5S- 0 0 33 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.495 114.4-116.4 -76.4 -4.7 -30.5 -12.3 -1.3 64 66 A G T < 5S+ 0 0 45 -3,-1.1 17,-0.2 -4,-0.5 -3,-0.2 0.583 85.1 117.4 79.0 10.4 -27.3 -10.4 -2.1 65 67 A I S - 0 0 13 4,-3.6 3,-0.6 -2,-0.8 2,-0.2 -0.053 42.5 -44.3 -81.6-174.1 -26.1 7.8 5.0 72 74 A E G > S- 0 0 86 1,-0.2 3,-0.6 2,-0.1 -1,-0.2 -0.316 114.3 -27.3 -59.7 118.4 -25.9 10.8 7.3 73 75 A G G 3 S- 0 0 64 127,-0.3 2,-0.4 1,-0.2 -1,-0.2 0.868 131.7 -8.2 35.7 78.7 -28.8 10.7 9.7 74 76 A G G < S+ 0 0 63 -3,-0.6 -1,-0.2 1,-0.2 -2,-0.1 -0.557 92.0 107.8 127.7 -66.1 -31.7 8.9 8.0 75 77 A K < - 0 0 83 -3,-0.6 -4,-3.6 -2,-0.4 2,-0.5 -0.258 40.8-166.5 -61.1 123.1 -31.2 8.1 4.3 76 78 A S E - B 0 70A 11 -6,-0.3 -42,-0.6 -2,-0.1 2,-0.4 -0.950 11.7-169.4 -97.8 128.8 -30.7 4.5 3.2 77 79 A V E -AB 33 69A 4 -8,-2.5 -8,-3.0 -2,-0.5 2,-0.3 -0.925 4.0-153.9-117.5 149.2 -29.4 4.2 -0.3 78 80 A F E +AB 32 68A 0 -46,-3.7 -46,-2.6 -2,-0.4 2,-0.3 -0.794 14.4 173.0-119.8 158.6 -29.2 1.0 -2.3 79 81 A E E - B 0 67A 10 -12,-1.0 -12,-2.3 -2,-0.3 2,-0.2 -0.950 41.6 -90.2-155.5 159.5 -27.0 -0.2 -5.2 80 82 A L E - B 0 66A 60 -50,-0.3 -14,-0.3 -56,-0.3 -15,-0.1 -0.534 55.0-100.6 -73.0 144.3 -26.5 -3.5 -7.0 81 83 A S + 0 0 48 -16,-1.9 2,-0.3 -17,-0.2 -1,-0.1 -0.221 43.9 170.5 -63.9 152.2 -23.7 -5.6 -5.5 82 84 A T - 0 0 91 1,-0.1 -16,-0.0 2,-0.0 0, 0.0 -0.946 40.8-133.3-152.7 152.9 -20.2 -5.9 -7.0 83 85 A Q S S+ 0 0 194 -2,-0.3 2,-0.7 2,-0.1 -1,-0.1 0.788 84.3 100.9 -69.2 -30.2 -16.9 -7.4 -5.8 84 86 A H S S- 0 0 148 1,-0.1 2,-0.1 -3,-0.1 -2,-0.0 -0.452 74.7-138.5 -63.6 103.9 -15.3 -4.1 -6.8 85 87 A H + 0 0 84 -2,-0.7 2,-0.3 16,-0.0 -2,-0.1 -0.383 31.3 163.0 -65.1 133.5 -14.8 -2.2 -3.6 86 88 A H - 0 0 30 -2,-0.1 2,-0.2 13,-0.0 15,-0.2 -0.965 25.5-143.8-142.9 166.9 -15.5 1.6 -3.4 87 89 A D E -C 100 0B 3 13,-2.9 13,-1.7 -2,-0.3 2,-0.4 -0.679 27.9-112.3-118.5 178.9 -16.2 4.3 -0.9 88 90 A H E -Cd 99 126B 4 37,-2.0 39,-2.9 -2,-0.2 2,-0.5 -0.945 18.7-169.7-132.4 134.9 -18.6 7.3 -1.2 89 91 A L E -Cd 98 127B 0 9,-2.9 9,-2.7 -2,-0.4 2,-0.5 -0.979 25.4-161.3-113.7 127.2 -18.4 11.0 -1.5 90 92 A V E -Cd 97 128B 11 37,-3.8 39,-2.6 -2,-0.5 2,-0.5 -0.947 14.6-140.9-122.5 127.8 -21.9 12.5 -1.1 91 93 A a E > - d 0 129B 7 5,-2.7 4,-0.6 -2,-0.5 5,-0.3 -0.752 9.5-151.5 -82.4 130.7 -23.2 15.9 -2.1 92 94 A L T 4 S+ 0 0 66 37,-3.0 38,-0.2 -2,-0.5 -1,-0.1 0.350 91.3 30.0 -82.8 6.5 -25.6 17.3 0.5 93 95 A D T 4 S+ 0 0 86 36,-0.3 -1,-0.2 3,-0.1 37,-0.1 0.544 117.0 47.1-141.1 -20.0 -27.5 19.3 -2.1 94 96 A C T 4 S- 0 0 78 2,-0.2 -2,-0.1 0, 0.0 3,-0.1 0.449 93.4-123.1-110.5 -3.6 -27.5 17.6 -5.5 95 97 A G < + 0 0 53 -4,-0.6 2,-0.4 1,-0.2 -3,-0.1 0.879 63.5 148.7 56.2 40.6 -28.3 14.0 -4.5 96 98 A E - 0 0 102 -5,-0.3 -5,-2.7 2,-0.0 2,-0.5 -0.904 33.5-164.1-113.5 129.8 -25.1 13.1 -6.2 97 99 A V E -C 90 0B 27 -2,-0.4 2,-0.4 -7,-0.2 -7,-0.2 -0.941 2.7-164.2-119.8 110.7 -22.9 10.1 -5.1 98 100 A I E -C 89 0B 27 -9,-2.7 -9,-2.9 -2,-0.5 2,-0.3 -0.801 10.8-145.7 -93.4 131.6 -19.3 9.8 -6.3 99 101 A E E +C 88 0B 69 -2,-0.4 2,-0.3 -11,-0.2 -11,-0.2 -0.754 25.6 168.3 -89.7 141.3 -17.5 6.5 -5.9 100 102 A F E -C 87 0B 17 -13,-1.7 -13,-2.9 -2,-0.3 2,-0.2 -0.976 26.0-163.7-146.8 161.7 -13.8 6.5 -5.1 101 103 A S - 0 0 64 -2,-0.3 2,-0.4 -15,-0.2 -2,-0.0 -0.694 15.6-168.0-147.6 91.0 -11.0 4.0 -4.1 102 104 A D > - 0 0 21 -2,-0.2 4,-2.3 1,-0.1 5,-0.1 -0.674 14.3-153.0 -86.3 129.7 -7.9 5.7 -2.8 103 105 A D H > S+ 0 0 132 -2,-0.4 4,-2.6 2,-0.2 5,-0.2 0.849 95.0 52.0 -65.8 -39.7 -4.8 3.5 -2.3 104 106 A V H > S+ 0 0 61 2,-0.2 4,-2.8 1,-0.2 -1,-0.2 0.949 112.7 44.3 -67.7 -48.8 -3.2 5.7 0.4 105 107 A I H > S+ 0 0 0 2,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.951 112.2 53.1 -57.5 -50.8 -6.4 5.7 2.5 106 108 A E H X S+ 0 0 37 -4,-2.3 4,-1.1 1,-0.2 -2,-0.2 0.925 113.5 43.9 -51.1 -47.4 -6.8 1.9 1.9 107 109 A Q H X S+ 0 0 100 -4,-2.6 4,-1.4 1,-0.2 -1,-0.2 0.891 109.5 55.3 -64.8 -43.1 -3.2 1.4 3.2 108 110 A R H X S+ 0 0 48 -4,-2.8 4,-2.4 1,-0.2 3,-0.3 0.889 101.9 57.5 -59.6 -42.0 -3.6 3.7 6.2 109 111 A Q H X S+ 0 0 1 -4,-2.2 4,-3.0 1,-0.2 -1,-0.2 0.891 104.7 52.0 -52.9 -46.4 -6.6 1.8 7.5 110 112 A K H X S+ 0 0 130 -4,-1.1 4,-1.5 -3,-0.2 -1,-0.2 0.849 111.9 46.4 -58.5 -39.1 -4.6 -1.4 7.6 111 113 A E H X S+ 0 0 92 -4,-1.4 4,-1.6 -3,-0.3 -2,-0.2 0.844 113.4 46.2 -79.3 -36.5 -1.9 0.3 9.6 112 114 A I H X S+ 0 0 4 -4,-2.4 4,-1.7 2,-0.2 -2,-0.2 0.912 110.6 55.0 -67.7 -44.5 -4.2 2.0 12.1 113 115 A A H <>S+ 0 0 1 -4,-3.0 5,-2.0 -5,-0.2 -2,-0.2 0.907 115.0 40.2 -51.3 -41.9 -6.0 -1.3 12.4 114 116 A A H <5S+ 0 0 71 -4,-1.5 -1,-0.2 1,-0.2 -2,-0.2 0.691 101.5 69.0 -85.2 -21.4 -2.7 -2.9 13.3 115 117 A K H <5S+ 0 0 149 -4,-1.6 2,-0.3 -3,-0.1 -1,-0.2 0.877 110.3 40.0 -59.4 -41.6 -1.5 0.1 15.5 116 118 A Y T <5S- 0 0 73 -4,-1.7 2,-2.2 2,-0.1 114,-0.0 -0.660 116.6 -97.1 -93.7 161.6 -4.2 -1.1 17.9 117 119 A N T 5S+ 0 0 158 -2,-0.3 2,-0.5 2,-0.1 -3,-0.2 -0.343 79.4 134.2 -84.8 63.6 -4.4 -4.9 18.1 118 120 A V < - 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