==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-SEP-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER METAL TRANSPORT 19-OCT-10 2L4X . COMPND 2 MOLECULE: IRON-SULFUR CLUSTER ASSEMBLY SCAFFOLD PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR J.H.KIM,M.TONELLI,J.L.MARKLEY . 128 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9918.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 65 50.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 12 9.4 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 . 1 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 . 9 7.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 14 10.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 26 20.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 0.8 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 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 0 0 PARALLEL BRIDGES PER LADDER . 2 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 0 0 ANTIPARALLEL BRIDGES PER LADDER . 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 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 0 238 0, 0.0 3,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -60.8 2.1 -0.0 -1.2 2 2 A A + 0 0 106 2,-0.1 2,-0.3 1,-0.0 0, 0.0 0.690 360.0 67.4-112.3 -34.2 5.5 1.1 0.1 3 3 A Y - 0 0 189 1,-0.0 2,-0.2 2,-0.0 -1,-0.0 -0.646 69.1-149.4 -92.2 148.3 4.9 1.4 3.8 4 4 A S - 0 0 104 -2,-0.3 2,-0.7 -3,-0.0 -2,-0.1 -0.477 22.2-102.5-107.2 179.7 4.1 -1.6 6.0 5 5 A E - 0 0 181 -2,-0.2 3,-0.1 3,-0.0 -2,-0.0 -0.877 36.7-159.9-110.5 102.6 2.0 -2.1 9.2 6 6 A K - 0 0 194 -2,-0.7 2,-0.7 1,-0.1 0, 0.0 0.063 37.5 -75.4 -66.3-176.3 4.2 -2.3 12.3 7 7 A V - 0 0 135 1,-0.0 2,-0.1 2,-0.0 -1,-0.1 -0.776 47.0-140.3 -90.6 114.4 3.1 -3.9 15.6 8 8 A I - 0 0 144 -2,-0.7 2,-0.4 -3,-0.1 -3,-0.0 -0.456 12.8-145.7 -73.5 143.1 0.7 -1.6 17.5 9 9 A D + 0 0 100 -2,-0.1 2,-0.3 3,-0.0 3,-0.1 -0.906 31.8 139.9-114.0 139.2 1.0 -1.3 21.3 10 10 A H + 0 0 129 -2,-0.4 -2,-0.0 1,-0.1 0, 0.0 -0.910 57.1 18.7-173.4 145.2 -1.8 -0.9 23.8 11 11 A Y S S+ 0 0 226 -2,-0.3 2,-0.5 1,-0.2 -1,-0.1 0.965 75.6 149.1 52.9 60.5 -2.9 -2.1 27.2 12 12 A E - 0 0 124 1,-0.4 -1,-0.2 -3,-0.1 -3,-0.0 -0.905 58.5 -39.1-129.9 104.4 0.5 -3.3 28.2 13 13 A N S S- 0 0 154 -2,-0.5 -1,-0.4 2,-0.0 -2,-0.1 0.304 83.0 -68.5 63.1 160.6 1.4 -3.2 31.9 14 14 A P - 0 0 100 0, 0.0 2,-0.3 0, 0.0 3,-0.1 0.084 48.3-139.4 -69.8-173.1 0.5 -0.4 34.3 15 15 A R + 0 0 225 1,-0.1 -2,-0.0 2,-0.0 0, 0.0 -0.890 68.8 48.8-144.7 173.6 1.9 3.2 34.3 16 16 A N + 0 0 101 -2,-0.3 -1,-0.1 1,-0.1 41,-0.0 0.880 64.4 137.9 59.6 39.6 3.0 6.0 36.5 17 17 A V - 0 0 92 2,-0.2 3,-0.1 -3,-0.1 -1,-0.1 0.777 69.2-117.2 -84.3 -29.4 5.3 3.5 38.4 18 18 A G S S+ 0 0 3 1,-0.3 2,-0.3 38,-0.1 26,-0.1 0.644 82.1 88.2 100.0 19.2 8.2 5.9 38.6 19 19 A S S S- 0 0 33 39,-0.1 2,-1.1 37,-0.1 3,-0.3 -0.993 75.3-122.5-150.8 140.9 10.7 3.9 36.6 20 20 A F S S- 0 0 89 -2,-0.3 4,-0.3 1,-0.3 37,-0.1 -0.706 88.2 -34.3 -86.9 96.9 11.5 3.6 32.9 21 21 A D S S- 0 0 123 -2,-1.1 -1,-0.3 2,-0.1 3,-0.2 0.959 117.2 -42.3 53.7 90.2 11.0 -0.1 32.0 22 22 A N S S- 0 0 129 -3,-0.3 2,-0.7 1,-0.2 -2,-0.1 0.064 94.0 -58.0 52.1-169.8 12.0 -2.0 35.2 23 23 A N - 0 0 127 -4,-0.1 -1,-0.2 4,-0.0 -2,-0.1 -0.851 58.4-162.2-111.4 97.2 15.1 -1.0 37.1 24 24 A D - 0 0 83 -2,-0.7 3,-0.4 -4,-0.3 -2,-0.0 0.089 31.8-107.9 -63.7-176.7 18.2 -1.1 34.9 25 25 A E S S+ 0 0 160 1,-0.2 -1,-0.1 22,-0.1 99,-0.0 0.584 118.0 52.0 -91.6 -13.1 21.8 -1.2 36.3 26 26 A N S S+ 0 0 25 21,-0.1 21,-2.8 2,-0.1 2,-0.3 0.075 84.5 119.3-109.0 21.3 22.4 2.4 35.2 27 27 A V B -A 46 0A 18 -3,-0.4 2,-0.3 19,-0.2 19,-0.3 -0.682 60.0-129.1 -90.7 141.3 19.3 3.8 36.8 28 28 A G - 0 0 1 17,-2.8 2,-0.5 -2,-0.3 17,-0.5 -0.701 13.3-147.0 -92.5 140.8 19.6 6.5 39.5 29 29 A S + 0 0 44 -2,-0.3 2,-0.3 87,-0.3 15,-0.1 -0.920 25.1 164.6-110.2 123.4 17.9 6.1 42.9 30 30 A G - 0 0 7 -2,-0.5 13,-1.0 13,-0.2 2,-0.3 -0.997 16.0-179.9-140.2 143.6 16.6 9.3 44.7 31 31 A M + 0 0 116 -2,-0.3 2,-0.5 11,-0.2 11,-0.2 -0.827 9.7 170.1-146.1 102.6 14.3 10.0 47.5 32 32 A V - 0 0 19 9,-0.3 9,-0.6 -2,-0.3 8,-0.3 -0.954 15.7-155.1-117.8 129.2 13.6 13.5 48.7 33 33 A G - 0 0 24 -2,-0.5 -2,-0.0 6,-0.2 4,-0.0 -0.673 26.3 -97.1-101.5 156.7 10.8 14.4 51.2 34 34 A A - 0 0 41 -2,-0.2 2,-3.0 1,-0.1 4,-0.4 -0.183 49.7 -88.0 -65.5 160.7 9.0 17.7 51.6 35 35 A P S S+ 0 0 78 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.333 104.7 40.4 -69.8 65.1 10.1 20.2 54.3 36 36 A A S S- 0 0 75 -2,-3.0 2,-1.6 0, 0.0 -3,-0.0 -0.966 111.4 -50.5 179.4-168.9 7.9 18.7 57.0 37 37 A C S S+ 0 0 145 -2,-0.3 0, 0.0 1,-0.1 0, 0.0 -0.424 112.4 64.9 -86.7 61.6 6.6 15.4 58.5 38 38 A G + 0 0 51 -2,-1.6 -1,-0.1 -4,-0.4 -5,-0.0 0.319 54.2 175.5-139.0 -85.3 5.5 14.0 55.2 39 39 A D + 0 0 80 1,-0.1 -6,-0.2 -7,-0.0 -2,-0.0 0.834 17.2 147.8 65.0 111.3 7.8 13.0 52.4 40 40 A V + 0 0 83 -8,-0.3 2,-0.3 19,-0.1 -7,-0.1 0.115 33.1 114.3-161.1 25.2 6.2 11.4 49.4 41 41 A M - 0 0 35 -9,-0.6 -9,-0.3 19,-0.2 2,-0.3 -0.764 37.1-175.5-106.0 151.8 8.2 12.5 46.3 42 42 A K E + B 0 59A 84 17,-2.5 17,-2.7 -2,-0.3 2,-0.3 -0.998 9.0 179.5-147.0 145.4 10.4 10.3 44.0 43 43 A L E + B 0 58A 13 -13,-1.0 2,-0.4 -2,-0.3 15,-0.3 -0.878 6.0 174.7-151.7 114.3 12.7 10.9 41.1 44 44 A Q E - B 0 57A 28 13,-2.1 13,-2.0 -2,-0.3 2,-0.2 -0.960 7.3-168.7-123.9 139.5 14.7 8.3 39.2 45 45 A I E - B 0 56A 5 -17,-0.5 -17,-2.8 -2,-0.4 2,-0.5 -0.727 16.8-131.4-120.0 170.5 16.8 8.7 36.0 46 46 A K E -AB 27 55A 23 9,-2.0 8,-3.2 -19,-0.3 9,-1.5 -0.953 17.7-161.4-129.2 113.5 18.5 6.5 33.5 47 47 A V E - B 0 53A 0 -21,-2.8 6,-0.2 -2,-0.5 -21,-0.1 -0.706 10.3-143.6 -94.4 143.8 22.1 6.9 32.5 48 48 A N > - 0 0 40 4,-2.6 3,-1.6 -2,-0.3 -1,-0.1 -0.202 37.8 -87.1 -92.4-173.3 23.6 5.4 29.4 49 49 A D T 3 S+ 0 0 167 1,-0.3 -1,-0.0 2,-0.1 -2,-0.0 0.723 127.6 60.8 -68.1 -21.0 27.1 4.0 28.7 50 50 A E T 3 S- 0 0 168 2,-0.2 -1,-0.3 1,-0.0 3,-0.1 0.403 119.1-111.7 -85.9 2.2 28.2 7.5 27.8 51 51 A G S < S+ 0 0 9 -3,-1.6 31,-0.6 1,-0.3 2,-0.3 0.829 77.2 126.4 71.5 32.2 27.3 8.6 31.4 52 52 A I B -C 81 0B 53 29,-0.2 -4,-2.6 30,-0.1 2,-0.6 -0.902 69.6-100.2-123.5 152.1 24.5 10.8 30.2 53 53 A I E +B 47 0A 3 27,-1.9 26,-1.4 -2,-0.3 -6,-0.2 -0.576 43.5 163.4 -72.8 114.9 20.8 10.9 31.1 54 54 A E E + 0 0 77 -8,-3.2 2,-0.3 -2,-0.6 -1,-0.2 0.763 65.1 22.1-100.1 -35.2 18.8 9.1 28.5 55 55 A D E -B 46 0A 24 -9,-1.5 -9,-2.0 23,-0.1 2,-0.3 -0.853 63.7-160.0-130.4 166.0 15.5 8.6 30.4 56 56 A A E +B 45 0A 7 -2,-0.3 2,-0.3 -11,-0.2 -11,-0.2 -0.997 10.4 171.5-148.3 148.4 13.7 10.2 33.3 57 57 A R E +B 44 0A 60 -13,-2.0 -13,-2.1 -2,-0.3 2,-0.3 -0.991 1.6 175.0-155.2 154.9 11.0 9.3 35.8 58 58 A F E -B 43 0A 15 -2,-0.3 2,-0.3 -15,-0.3 -15,-0.3 -0.922 10.9-153.2-152.3 175.0 9.4 10.6 38.9 59 59 A K E +B 42 0A 93 -17,-2.7 -17,-2.5 -2,-0.3 2,-0.3 -0.989 12.1 172.8-157.0 148.7 6.5 10.0 41.4 60 60 A T - 0 0 33 -2,-0.3 -19,-0.2 -19,-0.2 -2,-0.0 -0.905 47.3 -91.0-148.5 175.0 4.3 12.0 43.8 61 61 A Y - 0 0 190 -2,-0.3 2,-0.1 1,-0.1 -1,-0.1 0.962 61.6-166.9 -55.3 -57.2 1.3 11.6 46.1 62 62 A G - 0 0 39 -3,-0.1 -1,-0.1 2,-0.0 -3,-0.0 -0.377 24.7-163.7 95.9-177.3 -1.2 12.6 43.5 63 63 A C - 0 0 138 -2,-0.1 2,-0.2 0, 0.0 -1,-0.0 0.051 43.3 -82.9-169.1 -64.6 -4.9 13.6 43.7 64 64 A G S S+ 0 0 54 0, 0.0 -2,-0.0 0, 0.0 0, 0.0 -0.614 95.0 40.1 148.3 151.8 -6.8 13.5 40.4 65 65 A S S S+ 0 0 125 -2,-0.2 0, 0.0 1,-0.1 0, 0.0 0.874 79.0 119.4 53.1 40.0 -7.6 15.4 37.2 66 66 A A - 0 0 52 3,-0.1 -1,-0.1 0, 0.0 -4,-0.0 0.853 50.0-163.9 -98.3 -50.3 -4.0 16.5 37.1 67 67 A I S S- 0 0 141 2,-0.1 0, 0.0 0, 0.0 0, 0.0 0.944 72.9 -4.5 60.1 95.6 -2.8 15.1 33.8 68 68 A A S S- 0 0 81 1,-0.2 2,-0.4 2,-0.1 3,-0.3 0.987 86.1-176.5 55.2 76.9 1.0 15.1 33.7 69 69 A S - 0 0 54 1,-0.2 -1,-0.2 2,-0.1 -2,-0.1 -0.893 63.8 -3.8-109.7 134.7 1.8 16.9 37.0 70 70 A S S S+ 0 0 69 -2,-0.4 3,-0.4 1,-0.1 4,-0.2 0.763 94.0 124.6 59.1 24.8 5.3 17.8 38.2 71 71 A S + 0 0 30 -3,-0.3 4,-0.2 1,-0.2 -1,-0.1 0.027 38.6 95.6-101.7 25.3 6.5 16.0 35.1 72 72 A L S > S+ 0 0 52 2,-0.2 4,-0.9 1,-0.1 3,-0.3 0.738 80.6 53.7 -85.0 -25.5 8.4 19.0 33.8 73 73 A V H > S+ 0 0 14 -3,-0.4 4,-2.2 1,-0.2 5,-0.4 0.852 96.4 64.8 -76.5 -36.4 11.7 17.8 35.3 74 74 A T H 4 S+ 0 0 13 1,-0.2 4,-0.4 -4,-0.2 -1,-0.2 0.727 108.4 43.3 -58.9 -21.1 11.5 14.4 33.6 75 75 A E H 4 S+ 0 0 149 -3,-0.3 -1,-0.2 -4,-0.2 -2,-0.2 0.732 109.7 56.0 -94.9 -28.4 11.9 16.4 30.4 76 76 A W H < S+ 0 0 134 -4,-0.9 -2,-0.2 1,-0.2 -3,-0.1 0.971 112.3 39.2 -67.9 -56.1 14.6 18.7 31.6 77 77 A V S >< S+ 0 0 2 -4,-2.2 3,-2.8 2,-0.1 -24,-0.2 0.851 95.4 101.8 -62.9 -35.2 17.1 16.0 32.6 78 78 A K T 3 S+ 0 0 106 -5,-0.4 -24,-0.2 -4,-0.4 3,-0.1 -0.278 94.7 10.4 -53.9 126.8 16.1 14.0 29.6 79 79 A G T 3 S+ 0 0 55 -26,-1.4 -1,-0.3 1,-0.3 2,-0.2 0.379 114.0 103.3 83.4 -5.5 18.8 14.4 26.9 80 80 A K S < S- 0 0 93 -3,-2.8 -27,-1.9 -27,-0.1 -1,-0.3 -0.513 70.1-113.8-103.5 173.8 21.0 16.1 29.4 81 81 A S B >> -C 52 0B 23 -29,-0.2 4,-3.3 -2,-0.2 3,-1.0 -0.785 23.8-114.9-109.8 153.2 24.1 14.9 31.4 82 82 A L H 3> S+ 0 0 17 -31,-0.6 4,-1.4 -2,-0.3 5,-0.1 0.884 118.7 56.0 -49.4 -43.3 24.5 14.4 35.2 83 83 A D H 34 S+ 0 0 130 1,-0.2 -1,-0.3 2,-0.2 4,-0.2 0.857 114.0 40.1 -58.9 -36.3 27.0 17.3 35.2 84 84 A E H X4 S+ 0 0 120 -3,-1.0 3,-2.5 2,-0.2 4,-0.5 0.924 110.8 54.7 -78.7 -48.3 24.4 19.5 33.6 85 85 A A H >< S+ 0 0 2 -4,-3.3 3,-0.6 1,-0.3 -2,-0.2 0.720 102.0 62.5 -58.1 -20.3 21.4 18.3 35.6 86 86 A Q T 3< S+ 0 0 106 -4,-1.4 -1,-0.3 -5,-0.3 -2,-0.2 0.645 96.4 57.8 -79.7 -15.6 23.5 19.2 38.7 87 87 A A T < S+ 0 0 65 -3,-2.5 -1,-0.2 -4,-0.2 -2,-0.2 0.528 80.0 124.7 -90.1 -8.0 23.6 22.8 37.6 88 88 A I < - 0 0 21 -3,-0.6 2,-0.4 -4,-0.5 3,-0.1 -0.106 49.9-148.1 -51.4 149.3 19.8 23.0 37.7 89 89 A K >> - 0 0 120 1,-0.1 3,-1.8 22,-0.0 4,-1.2 -0.988 16.7-137.7-128.9 132.7 18.3 25.7 39.8 90 90 A N H 3> S+ 0 0 45 -2,-0.4 4,-2.8 1,-0.3 5,-0.3 0.906 105.9 62.9 -49.9 -47.1 15.0 25.6 41.7 91 91 A T H 3> S+ 0 0 74 1,-0.2 4,-1.9 2,-0.2 -1,-0.3 0.797 100.8 56.3 -49.7 -30.3 14.2 29.2 40.6 92 92 A D H <> S+ 0 0 64 -3,-1.8 4,-2.2 2,-0.2 5,-0.3 0.986 111.8 36.6 -66.9 -61.0 14.3 27.8 37.1 93 93 A I H X S+ 0 0 7 -4,-1.2 4,-1.5 1,-0.2 -2,-0.2 0.764 120.6 51.5 -63.7 -25.0 11.6 25.2 37.5 94 94 A A H X>S+ 0 0 7 -4,-2.8 4,-0.8 -5,-0.3 5,-0.6 0.810 113.5 42.1 -81.0 -32.3 9.8 27.6 39.9 95 95 A E H <5S+ 0 0 161 -4,-1.9 -2,-0.2 -5,-0.3 -3,-0.2 0.716 119.0 45.4 -85.5 -23.6 9.9 30.4 37.4 96 96 A E H <5S+ 0 0 135 -4,-2.2 -2,-0.2 -5,-0.1 -3,-0.2 0.818 115.9 44.3 -87.2 -35.4 9.0 28.2 34.4 97 97 A L H <5S- 0 0 77 -4,-1.5 -2,-0.2 -5,-0.3 -3,-0.2 0.744 103.3-139.1 -80.0 -24.8 6.2 26.3 36.2 98 98 A E T <5 + 0 0 174 -4,-0.8 -3,-0.2 1,-0.1 -4,-0.1 0.893 37.0 156.9 63.5 103.7 4.8 29.6 37.6 99 99 A L < - 0 0 55 -5,-0.6 -1,-0.1 5,-0.0 -2,-0.0 -0.986 40.2 -93.2-154.0 159.8 3.6 29.2 41.2 100 100 A P - 0 0 69 0, 0.0 3,-0.4 0, 0.0 -2,-0.0 -0.138 38.3-108.5 -69.8 168.3 3.0 31.2 44.4 101 101 A P S > S+ 0 0 109 0, 0.0 3,-1.2 0, 0.0 4,-0.3 0.754 115.8 63.9 -69.7 -25.2 5.5 31.8 47.2 102 102 A V T 3 S+ 0 0 121 1,-0.3 3,-0.4 2,-0.1 -3,-0.0 0.859 108.0 40.1 -67.4 -36.1 3.6 29.4 49.5 103 103 A K T > S+ 0 0 127 -3,-0.4 3,-0.5 1,-0.2 -1,-0.3 -0.012 84.0 107.8-101.8 27.9 4.2 26.5 47.2 104 104 A I T X> + 0 0 63 -3,-1.2 3,-2.3 1,-0.2 4,-0.7 0.798 64.0 71.4 -73.7 -29.6 7.8 27.5 46.6 105 105 A H H >> S+ 0 0 110 -3,-0.4 4,-2.1 1,-0.3 3,-0.8 0.805 88.1 64.5 -56.0 -29.8 9.2 24.7 48.7 106 106 A C H <4 S+ 0 0 51 -3,-0.5 4,-0.5 1,-0.2 -1,-0.3 0.709 96.4 57.7 -67.2 -19.5 8.1 22.4 45.9 107 107 A S H <> S+ 0 0 6 -3,-2.3 4,-0.7 -4,-0.2 -1,-0.2 0.715 108.3 45.2 -82.5 -22.6 10.6 24.1 43.7 108 108 A I H > S+ 0 0 14 -4,-0.5 4,-1.0 2,-0.2 3,-0.7 0.973 99.7 49.1 -67.7 -56.6 13.0 19.1 42.9 111 111 A E H >X S+ 0 0 47 -4,-0.7 4,-1.8 1,-0.3 3,-1.4 0.902 107.1 57.3 -49.7 -46.6 16.7 20.0 42.8 112 112 A D H 3X S+ 0 0 68 -4,-1.6 4,-2.0 1,-0.3 -1,-0.3 0.882 103.0 53.8 -53.0 -41.5 17.3 17.6 45.7 113 113 A A H X S+ 0 0 4 -4,-1.5 4,-1.8 -3,-0.4 3,-0.9 0.979 113.5 42.2 -77.4 -65.0 23.1 11.5 40.1 119 119 A A H 3< S+ 0 0 58 -4,-3.2 4,-0.4 1,-0.3 -2,-0.2 0.742 115.0 56.8 -54.5 -22.7 25.3 10.8 43.1 120 120 A D H 3X S+ 0 0 42 -4,-2.5 4,-1.0 -5,-0.4 -1,-0.3 0.862 106.0 48.0 -77.3 -38.1 23.2 7.6 43.4 121 121 A Y H XX S+ 0 0 10 -4,-1.0 3,-1.4 -3,-0.9 4,-1.2 0.984 113.9 43.2 -66.1 -60.1 24.1 6.5 39.8 122 122 A K H 3< S+ 0 0 66 -4,-1.8 -1,-0.2 1,-0.3 -2,-0.2 0.707 109.9 62.5 -59.5 -18.9 27.8 7.0 40.0 123 123 A S H 34 S+ 0 0 68 -4,-0.4 -1,-0.3 -5,-0.4 3,-0.2 0.808 105.6 42.9 -76.6 -31.0 27.6 5.5 43.4 124 124 A K H << S+ 0 0 134 -3,-1.4 -2,-0.2 -4,-1.0 -1,-0.2 0.611 122.4 40.0 -88.6 -14.5 26.4 2.1 42.0 125 125 A R S < S+ 0 0 124 -4,-1.2 -2,-0.2 1,-0.1 -1,-0.2 0.168 84.7 98.7-117.3 14.1 28.9 2.3 39.1 126 126 A E + 0 0 139 -3,-0.2 2,-0.8 -5,-0.2 -1,-0.1 0.477 50.4 120.3 -79.5 -2.1 31.8 3.7 41.2 127 127 A A 0 0 85 1,-0.2 -3,-0.0 -3,-0.1 -4,-0.0 -0.524 360.0 360.0 -68.5 105.7 33.2 0.1 41.4 128 128 A K 0 0 220 -2,-0.8 -1,-0.2 0, 0.0 -2,-0.0 0.540 360.0 360.0-127.8 360.0 36.6 0.3 39.8