==== 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 ISOMERASE 04-FEB-10 3LOR . COMPND 2 MOLECULE: THIOL-DISULFIDE ISOMERASE AND THIOREDOXINS; . SOURCE 2 ORGANISM_SCIENTIFIC: CORYNEBACTERIUM GLUTAMICUM; . AUTHOR A.J.STEIN,J.OSIPIUK,A.WEGER,G.COBB,A.JOACHIMIAK,MIDWEST CENT . 610 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 26435.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 396 64.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 48 7.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 80 13.1 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 . 4 0.7 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 . 50 8.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 38 6.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 152 24.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 16 2.6 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 4 8 0 0 0 0 3 5 1 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 4 0 0 0 4 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 . 4 0 4 0 8 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 4 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 L > 0 0 102 0, 0.0 3,-0.6 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -23.8 -34.8 5.3 -27.4 2 5 A D T 3 + 0 0 100 1,-0.2 0, 0.0 3,-0.0 0, 0.0 0.862 360.0 50.4 -63.7 -35.1 -34.9 1.6 -28.1 3 6 A N T 3 S+ 0 0 158 2,-0.1 -1,-0.2 0, 0.0 0, 0.0 0.620 85.6 110.8 -73.8 -17.8 -31.9 2.4 -30.3 4 7 A A < - 0 0 29 -3,-0.6 2,-0.1 1,-0.1 127,-0.1 -0.410 65.7-128.1 -69.7 134.3 -29.9 4.3 -27.6 5 8 A P - 0 0 74 0, 0.0 125,-2.2 0, 0.0 2,-0.1 -0.497 23.6-109.4 -74.8 149.6 -26.8 2.6 -26.2 6 9 A L B -A 129 0A 89 123,-0.2 2,-0.4 -2,-0.1 123,-0.2 -0.442 37.0 -99.8 -73.0 149.9 -26.2 2.2 -22.5 7 10 A L + 0 0 3 121,-2.7 2,-0.3 -2,-0.1 -1,-0.1 -0.608 46.8 171.8 -73.1 123.6 -23.6 4.2 -20.8 8 11 A E - 0 0 81 -2,-0.4 2,-0.2 101,-0.1 -1,-0.0 -0.821 15.3-160.6-135.2 96.6 -20.5 2.1 -20.4 9 12 A L - 0 0 35 -2,-0.3 2,-0.7 1,-0.0 89,-0.0 -0.548 9.5-147.7 -71.5 136.3 -17.4 3.8 -19.1 10 13 A D - 0 0 47 -2,-0.2 89,-2.2 89,-0.1 2,-0.5 -0.940 28.4-171.5-102.5 111.3 -14.2 2.0 -19.8 11 14 A V E -B 98 0B 35 -2,-0.7 87,-0.2 87,-0.2 3,-0.1 -0.893 33.8-170.7-116.1 122.9 -12.1 3.0 -16.8 12 15 A Q E S- 0 0 86 85,-2.2 2,-0.3 -2,-0.5 -1,-0.2 0.937 79.7 -22.7 -66.6 -47.1 -8.5 2.4 -16.0 13 16 A E E -B 97 0B 72 84,-0.8 84,-2.3 66,-0.0 2,-0.7 -0.985 52.5-120.7-159.6 157.1 -8.9 3.6 -12.4 14 17 A W E -B 96 0B 59 -2,-0.3 3,-0.3 82,-0.2 82,-0.2 -0.891 28.2-166.3-101.0 112.1 -11.0 5.7 -10.1 15 18 A V S S+ 0 0 20 80,-1.5 -1,-0.1 -2,-0.7 81,-0.1 0.772 74.8 14.1 -69.1 -36.1 -8.8 8.3 -8.6 16 19 A N S S+ 0 0 55 79,-0.6 2,-0.3 1,-0.1 -1,-0.2 0.069 120.4 34.1-131.3 13.9 -10.7 9.8 -5.7 17 20 A H S S- 0 0 85 -3,-0.3 2,-0.1 78,-0.2 -1,-0.1 -0.984 86.3 -82.9-164.8 159.0 -13.5 7.5 -4.9 18 21 A E - 0 0 149 -2,-0.3 -2,-0.1 1,-0.1 -3,-0.1 -0.474 64.9 -94.2 -65.7 148.2 -14.7 4.0 -4.9 19 22 A G - 0 0 30 -2,-0.1 2,-0.4 -5,-0.1 -1,-0.1 -0.270 34.9-135.3 -69.8 152.7 -15.9 3.0 -8.3 20 23 A L - 0 0 32 -3,-0.1 2,-0.2 4,-0.0 -1,-0.1 -0.893 11.1-152.0-111.6 137.1 -19.4 3.2 -9.4 21 24 A S > - 0 0 51 -2,-0.4 4,-1.8 1,-0.1 3,-0.2 -0.589 32.0-111.3 -96.1 166.3 -21.4 0.6 -11.3 22 25 A N H > S+ 0 0 65 1,-0.2 4,-1.2 2,-0.2 -1,-0.1 0.812 121.5 58.2 -62.1 -31.9 -24.3 1.1 -13.6 23 26 A E H 4 S+ 0 0 79 2,-0.2 -1,-0.2 1,-0.2 3,-0.1 0.859 103.5 49.5 -65.1 -39.6 -26.3 -0.5 -10.9 24 27 A D H 4 S+ 0 0 80 -3,-0.2 -2,-0.2 1,-0.2 -1,-0.2 0.844 115.3 47.0 -63.3 -39.8 -25.3 2.1 -8.4 25 28 A L H >< S+ 0 0 11 -4,-1.8 3,-1.6 2,-0.1 -2,-0.2 0.682 84.5 113.9 -72.6 -24.3 -26.2 4.7 -11.0 26 29 A R T 3< S+ 0 0 146 -4,-1.2 101,-0.2 1,-0.3 100,-0.1 -0.247 75.8 29.4 -62.3 140.0 -29.6 3.3 -12.0 27 30 A G T 3 S+ 0 0 36 99,-2.8 2,-0.3 1,-0.3 -1,-0.3 0.424 108.6 91.1 87.1 2.5 -32.5 5.4 -11.1 28 31 A K S < S- 0 0 49 -3,-1.6 2,-0.3 98,-0.3 100,-0.3 -0.938 80.1-115.3-125.8 147.8 -30.4 8.5 -11.4 29 32 A V E -c 62 0B 0 32,-2.1 34,-2.4 -2,-0.3 2,-0.5 -0.646 36.9-144.0 -72.2 136.7 -29.6 10.9 -14.2 30 33 A V E -cD 63 124B 3 94,-2.5 94,-2.2 -2,-0.3 2,-0.6 -0.917 15.4-168.7-114.5 128.9 -26.0 10.7 -15.0 31 34 A V E -cD 64 123B 0 32,-2.8 34,-2.5 -2,-0.5 2,-0.6 -0.957 6.1-169.0-112.2 118.7 -23.8 13.6 -16.0 32 35 A V E -cD 65 122B 0 90,-3.1 90,-2.0 -2,-0.6 2,-0.7 -0.929 6.1-159.5-111.4 120.3 -20.4 12.7 -17.2 33 36 A E E -cD 66 121B 3 32,-2.9 34,-2.7 -2,-0.6 2,-0.6 -0.852 6.9-159.0 -98.4 109.7 -17.9 15.5 -17.7 34 37 A V E +cD 67 120B 0 86,-2.7 86,-1.8 -2,-0.7 2,-0.3 -0.777 29.6 156.4 -92.7 117.2 -15.2 14.5 -20.1 35 38 A F E -c 68 0B 2 32,-2.5 34,-1.5 -2,-0.6 2,-0.4 -0.904 44.3-138.9-141.2 163.2 -12.1 16.6 -19.6 36 39 A Q > - 0 0 1 -2,-0.3 3,-1.3 32,-0.2 7,-0.2 -0.979 27.4-133.5-117.9 139.9 -8.4 17.2 -19.8 37 40 A X T 3 S+ 0 0 6 -2,-0.4 -1,-0.1 1,-0.3 33,-0.0 0.721 104.7 44.2 -64.0 -23.5 -6.8 18.9 -16.8 38 41 A L T 3 S+ 0 0 3 4,-0.0 -1,-0.3 39,-0.0 3,-0.1 0.142 84.9 109.0-109.7 18.5 -4.9 21.3 -19.1 39 42 A C <> - 0 0 10 -3,-1.3 4,-2.8 1,-0.1 5,-0.2 -0.840 61.3-145.1 -99.0 129.4 -7.7 22.3 -21.5 40 43 A P H > S+ 0 0 31 0, 0.0 4,-2.9 0, 0.0 5,-0.4 0.858 98.7 54.6 -62.2 -40.1 -8.9 25.9 -21.1 41 44 A G H >>S+ 0 0 30 1,-0.2 5,-2.1 2,-0.2 4,-1.6 0.875 113.7 43.0 -62.5 -41.8 -12.5 25.0 -21.9 42 45 A C H 4>S+ 0 0 0 3,-0.2 5,-2.7 4,-0.2 -1,-0.2 0.954 118.0 42.3 -66.2 -51.9 -12.5 22.4 -19.3 43 46 A V H <5S+ 0 0 3 -4,-2.8 -2,-0.2 1,-0.2 -1,-0.1 0.895 123.1 38.1 -65.4 -46.3 -10.7 24.4 -16.6 44 47 A N H <5S- 0 0 72 -4,-2.9 -1,-0.2 -5,-0.2 -3,-0.2 0.819 137.1 -1.5 -68.3 -41.9 -12.6 27.6 -17.2 45 48 A H T X5S+ 0 0 47 -4,-1.6 4,-2.0 -5,-0.4 -3,-0.2 0.759 121.2 48.2-122.7 -60.2 -16.0 26.3 -17.9 46 49 A G H > S+ 0 0 44 0, 0.0 4,-2.0 0, 0.0 -1,-0.2 0.857 109.8 54.3 -62.3 -35.9 -16.7 24.3 -12.7 49 52 A Q H X S+ 0 0 9 -4,-2.0 4,-1.9 2,-0.2 -2,-0.2 0.887 107.4 50.6 -60.9 -42.1 -20.1 23.7 -14.3 50 53 A A H X S+ 0 0 0 -4,-1.9 4,-2.2 2,-0.2 -1,-0.2 0.895 109.1 51.3 -61.7 -41.6 -19.8 20.1 -13.2 51 54 A Q H X S+ 0 0 29 -4,-2.0 4,-2.4 1,-0.2 5,-0.2 0.892 107.9 53.3 -63.1 -39.6 -19.0 21.2 -9.6 52 55 A K H X S+ 0 0 59 -4,-2.0 4,-2.5 2,-0.2 -1,-0.2 0.906 108.8 48.3 -62.7 -41.9 -21.9 23.5 -9.6 53 56 A I H X S+ 0 0 1 -4,-1.9 4,-2.5 1,-0.2 -2,-0.2 0.949 111.2 51.0 -62.3 -45.5 -24.2 20.6 -10.5 54 57 A H H < S+ 0 0 40 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.877 114.6 42.5 -60.7 -43.4 -22.7 18.5 -7.9 55 58 A R H < S+ 0 0 140 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.867 119.9 43.4 -68.6 -43.5 -23.2 21.2 -5.2 56 59 A X H < S+ 0 0 96 -4,-2.5 2,-0.5 -5,-0.2 -2,-0.2 0.735 109.6 51.8 -71.1 -34.5 -26.7 22.1 -6.4 57 60 A I S < S- 0 0 21 -4,-2.5 -1,-0.1 -5,-0.2 2,-0.1 -0.951 81.9-120.0-118.2 134.1 -28.3 18.8 -7.0 58 61 A D >> - 0 0 107 -2,-0.5 4,-2.3 1,-0.1 3,-2.0 -0.324 18.5-123.6 -67.7 148.9 -28.4 15.9 -4.7 59 62 A E T 34 S+ 0 0 77 1,-0.3 -1,-0.1 2,-0.2 -5,-0.0 0.547 107.3 73.4 -72.1 -8.9 -26.9 12.5 -5.6 60 63 A S T 34 S+ 0 0 72 1,-0.1 -1,-0.3 2,-0.0 3,-0.1 0.626 115.8 21.3 -69.8 -18.3 -30.3 10.9 -5.0 61 64 A Q T <4 S+ 0 0 79 -3,-2.0 -32,-2.1 1,-0.3 2,-0.4 0.715 131.0 26.6-114.7 -51.8 -31.3 12.6 -8.3 62 65 A V E < -c 29 0B 3 -4,-2.3 2,-0.5 -34,-0.2 -1,-0.3 -0.979 58.5-159.7-123.7 129.7 -28.2 13.4 -10.3 63 66 A Q E -c 30 0B 16 -34,-2.4 -32,-2.8 -2,-0.4 2,-0.5 -0.920 9.9-156.3-103.6 125.2 -24.8 11.8 -10.3 64 67 A V E -c 31 0B 2 -2,-0.5 2,-0.4 -34,-0.2 -32,-0.2 -0.857 12.4-174.9 -97.9 131.3 -21.8 13.7 -11.6 65 68 A I E -c 32 0B 0 -34,-2.5 -32,-2.9 -2,-0.5 2,-0.4 -0.996 15.1-145.5-127.1 134.3 -18.8 11.8 -12.8 66 69 A G E -ce 33 95B 0 28,-3.4 30,-3.4 -2,-0.4 2,-0.5 -0.809 12.7-169.3 -95.3 131.7 -15.6 13.2 -14.0 67 70 A L E -ce 34 96B 0 -34,-2.7 -32,-2.5 -2,-0.4 2,-0.9 -0.951 10.1-154.7-125.3 116.4 -13.8 11.4 -16.8 68 71 A H E +ce 35 97B 3 28,-3.1 30,-2.2 -2,-0.5 2,-0.7 -0.786 17.2 177.5 -90.3 105.2 -10.3 12.3 -17.5 69 72 A S - 0 0 0 -34,-1.5 2,-0.5 -2,-0.9 30,-0.1 -0.879 7.9-168.9-110.1 98.7 -9.7 11.4 -21.2 70 73 A V + 0 0 17 -2,-0.7 3,-0.1 28,-0.2 -34,-0.1 -0.763 19.8 161.4 -93.1 121.2 -6.2 12.5 -22.1 71 74 A F + 0 0 36 -2,-0.5 2,-0.3 1,-0.2 -1,-0.1 0.361 64.5 36.8-118.8 0.3 -5.5 12.3 -25.8 72 75 A E S S+ 0 0 54 1,-0.1 -1,-0.2 5,-0.0 5,-0.1 -0.985 112.5 16.2-145.1 153.4 -2.5 14.6 -26.0 73 76 A H >> + 0 0 64 -2,-0.3 3,-1.2 1,-0.1 4,-0.8 0.840 65.7 170.5 56.0 43.8 0.6 15.2 -23.9 74 77 A H G >4 + 0 0 77 1,-0.3 3,-0.6 2,-0.2 -1,-0.1 0.785 66.5 62.3 -58.5 -37.7 0.1 12.1 -21.8 75 78 A D G 34 S+ 0 0 122 1,-0.3 3,-0.3 2,-0.1 -1,-0.3 0.777 109.8 42.6 -63.6 -28.5 3.4 12.3 -20.0 76 79 A V G <4 S+ 0 0 16 -3,-1.2 -1,-0.3 1,-0.2 -2,-0.2 0.623 110.9 54.6 -86.4 -21.0 2.3 15.5 -18.5 77 80 A X S << S+ 0 0 4 -4,-0.8 -1,-0.2 -3,-0.6 -2,-0.1 -0.306 76.5 153.2-115.4 50.2 -1.3 14.6 -17.7 78 81 A T > - 0 0 53 -3,-0.3 4,-2.0 1,-0.1 5,-0.1 -0.182 61.7-101.7 -72.6 169.4 -0.8 11.5 -15.6 79 82 A P H > S+ 0 0 37 0, 0.0 4,-1.5 0, 0.0 -1,-0.1 0.816 124.0 54.9 -60.9 -34.1 -3.0 10.2 -12.9 80 83 A E H > S+ 0 0 57 2,-0.2 4,-1.2 1,-0.2 5,-0.1 0.904 108.4 47.4 -64.3 -43.6 -0.7 11.6 -10.3 81 84 A A H > S+ 0 0 2 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.854 109.2 55.8 -62.8 -37.4 -1.0 15.0 -11.9 82 85 A L H X S+ 0 0 0 -4,-2.0 4,-2.5 2,-0.2 -1,-0.2 0.859 101.0 57.0 -62.4 -38.5 -4.7 14.6 -12.0 83 86 A K H X S+ 0 0 100 -4,-1.5 4,-1.4 1,-0.2 -1,-0.2 0.871 108.6 47.1 -62.9 -38.0 -4.8 13.9 -8.3 84 87 A V H X S+ 0 0 18 -4,-1.2 4,-2.3 2,-0.2 -1,-0.2 0.862 109.6 53.1 -66.6 -40.7 -3.1 17.3 -7.7 85 88 A F H X S+ 0 0 2 -4,-1.9 4,-2.2 1,-0.2 6,-0.2 0.932 107.5 52.3 -60.9 -43.8 -5.5 19.0 -10.1 86 89 A I H <>S+ 0 0 16 -4,-2.5 5,-1.9 1,-0.2 4,-0.4 0.890 112.0 45.0 -61.3 -43.0 -8.4 17.6 -8.2 87 90 A D H ><5S+ 0 0 109 -4,-1.4 3,-0.8 3,-0.2 -2,-0.2 0.935 113.3 49.2 -65.4 -48.2 -7.1 18.9 -4.9 88 91 A E H 3<5S+ 0 0 38 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.857 117.8 39.9 -60.8 -39.9 -6.2 22.3 -6.1 89 92 A F T 3<5S- 0 0 23 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.425 106.8-124.3 -92.9 1.2 -9.5 22.8 -7.8 90 93 A G T < 5 + 0 0 32 -3,-0.8 2,-0.4 -4,-0.4 -3,-0.2 0.806 41.0 175.7 60.4 36.4 -11.6 21.3 -5.0 91 94 A I < + 0 0 8 -5,-1.9 -1,-0.2 -6,-0.2 4,-0.1 -0.546 9.2 174.3 -76.3 122.0 -13.3 18.7 -7.1 92 95 A K + 0 0 151 -2,-0.4 -1,-0.2 2,-0.1 3,-0.1 0.521 46.3 92.9-107.9 -6.9 -15.4 16.5 -4.9 93 96 A F S S- 0 0 3 1,-0.1 -28,-0.1 -76,-0.0 2,-0.1 -0.471 90.9 -81.4 -80.5 159.6 -17.3 14.4 -7.4 94 97 A P - 0 0 1 0, 0.0 -28,-3.4 0, 0.0 2,-0.5 -0.357 46.1-159.4 -67.9 135.2 -15.9 11.0 -8.5 95 98 A V E - e 0 66B 0 -30,-0.2 -80,-1.5 -2,-0.1 -79,-0.6 -0.964 6.8-170.0-120.0 129.1 -13.3 11.1 -11.1 96 99 A A E -Be 14 67B 0 -30,-3.4 -28,-3.1 -2,-0.5 2,-0.5 -0.873 20.3-130.3-116.7 152.6 -12.3 8.3 -13.4 97 100 A V E -Be 13 68B 12 -84,-2.3 -85,-2.2 -2,-0.3 -84,-0.8 -0.892 29.9-120.6-101.1 122.4 -9.4 7.9 -15.8 98 101 A D E -B 11 0B 6 -30,-2.2 -87,-0.2 -2,-0.5 -28,-0.2 -0.374 37.1-102.0 -62.3 132.5 -10.5 6.8 -19.3 99 102 A X - 0 0 77 -89,-2.2 9,-3.1 8,-0.1 10,-0.2 -0.397 36.2-129.7 -65.6 126.4 -8.8 3.5 -20.2 100 103 A P - 0 0 67 0, 0.0 2,-0.5 0, 0.0 5,-0.1 -0.434 11.0-136.0 -73.1 149.4 -5.9 4.0 -22.5 101 104 A R > - 0 0 81 3,-0.5 3,-2.0 5,-0.2 2,-0.1 -0.945 31.2-106.0-107.7 128.7 -5.5 1.9 -25.6 102 105 A E T 3 S+ 0 0 106 -2,-0.5 3,-0.1 1,-0.3 0, 0.0 -0.266 99.4 5.6 -62.8 127.7 -2.1 0.6 -26.4 103 106 A G T 3 S+ 0 0 79 1,-0.2 2,-0.4 -2,-0.1 -1,-0.3 0.311 112.3 95.1 87.6 -7.0 -0.3 2.3 -29.1 104 107 A Q < - 0 0 117 -3,-2.0 -3,-0.5 1,-0.1 -1,-0.2 -0.922 64.4-145.7-124.0 140.8 -2.9 5.0 -29.5 105 108 A R S S+ 0 0 154 -2,-0.4 -1,-0.1 -5,-0.1 -2,-0.0 0.821 81.8 78.8 -64.8 -36.0 -3.4 8.5 -28.2 106 109 A I S S- 0 0 46 -6,-0.1 -5,-0.2 1,-0.1 -35,-0.1 -0.682 79.6-132.6 -83.9 125.7 -7.2 8.4 -28.0 107 110 A P > - 0 0 4 0, 0.0 4,-2.2 0, 0.0 5,-0.2 -0.228 22.3-101.3 -75.8 165.7 -8.5 6.5 -25.0 108 111 A S H > S+ 0 0 28 -9,-3.1 4,-2.5 2,-0.2 5,-0.1 0.859 113.4 42.5 -63.5 -50.5 -11.2 3.9 -25.0 109 112 A T H > S+ 0 0 0 -99,-0.4 4,-2.0 1,-0.2 -1,-0.2 0.913 115.9 52.5 -63.4 -41.7 -14.4 5.6 -23.8 110 113 A X H 4>S+ 0 0 8 1,-0.2 5,-1.9 2,-0.2 4,-0.2 0.892 113.0 43.6 -62.2 -42.6 -13.5 8.6 -25.9 111 114 A K H ><5S+ 0 0 117 -4,-2.2 3,-1.0 3,-0.2 -2,-0.2 0.922 110.4 56.2 -63.3 -46.9 -13.1 6.4 -29.0 112 115 A K H 3<5S+ 0 0 81 -4,-2.5 -2,-0.2 1,-0.3 -1,-0.2 0.877 117.5 32.4 -59.4 -42.0 -16.1 4.3 -28.3 113 116 A Y T 3<5S- 0 0 40 -4,-2.0 -1,-0.3 -5,-0.1 -2,-0.2 0.376 106.7-127.2 -98.4 4.4 -18.5 7.3 -28.2 114 117 A R T < 5 - 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