==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=15-JUL-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TOXIN 19-APR-12 4AQN . COMPND 2 MOLECULE: PESTICIN; . SOURCE 2 ORGANISM_SCIENTIFIC: YERSINIA PESTIS; . AUTHOR K.ZETH,R.ALBRECHT . 678 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 32205.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 457 67.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 14 2.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 96 14.2 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 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.1 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 . 41 6.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 76 11.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 211 31.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 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 4 1 4 1 4 2 2 0 2 0 2 0 2 0 0 0 0 0 0 0 0 2 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 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 0 0 PARALLEL BRIDGES PER LADDER . 4 4 2 4 4 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 ANTIPARALLEL BRIDGES PER LADDER . 0 2 0 0 0 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 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 13 A V 0 0 146 0, 0.0 2,-0.1 0, 0.0 119,-0.1 0.000 360.0 360.0 360.0 150.7 28.7 5.6 13.8 2 14 A P > - 0 0 29 0, 0.0 3,-0.8 0, 0.0 2,-0.1 0.403 360.0-144.1 -71.1 132.3 26.0 6.2 14.7 3 15 A A T 3 S+ 0 0 27 116,-0.6 116,-0.2 1,-0.2 4,-0.1 -0.422 73.0 5.1 -73.5 141.5 25.3 2.7 13.6 4 16 A F T > S+ 0 0 98 -2,-0.1 3,-2.1 1,-0.1 -1,-0.2 0.844 76.8 171.2 59.8 40.8 21.9 1.7 12.0 5 17 A L T < S+ 0 0 35 -3,-0.8 -1,-0.1 1,-0.3 -2,-0.1 0.692 75.0 34.4 -62.1 -22.8 20.9 5.4 12.0 6 18 A F T 3 S+ 0 0 85 87,-0.1 -1,-0.3 35,-0.0 36,-0.1 0.129 95.6 114.0-119.5 17.8 17.8 4.9 9.9 7 19 A S < + 0 0 27 -3,-2.1 106,-0.1 -4,-0.1 105,-0.1 -0.144 66.5 6.9 -73.4 177.3 16.9 1.5 11.3 8 20 A G S S- 0 0 28 104,-0.6 2,-0.3 103,-0.1 105,-0.1 0.059 90.6 -72.5 50.6-150.1 13.8 0.7 13.3 9 21 A S - 0 0 41 98,-0.1 2,-0.4 86,-0.0 -2,-0.1 -0.861 30.3-126.7-140.5 170.4 11.0 3.1 13.9 10 22 A T - 0 0 9 -2,-0.3 2,-0.7 2,-0.1 86,-0.2 -0.984 11.0-141.8-129.6 125.8 10.2 6.3 15.9 11 23 A L E +a 96 0A 44 84,-2.5 86,-3.1 -2,-0.4 2,-0.3 -0.757 43.1 143.9 -83.9 115.3 7.3 6.9 18.3 12 24 A S E -a 97 0A 4 -2,-0.7 86,-0.1 84,-0.2 -2,-0.1 -0.921 43.1-163.4-154.4 126.4 6.2 10.5 17.9 13 25 A S S S+ 0 0 112 84,-0.6 2,-0.7 -2,-0.3 -1,-0.1 0.777 84.9 79.3 -76.0 -28.1 2.8 12.2 18.0 14 26 A Y + 0 0 62 83,-0.3 83,-0.1 -3,-0.1 -1,-0.0 -0.738 54.0 165.0 -79.5 113.3 4.5 15.1 16.2 15 27 A R - 0 0 170 -2,-0.7 -1,-0.0 0, 0.0 -3,-0.0 -0.792 28.3-153.9-133.2 93.0 4.8 14.2 12.5 16 28 A P 0 0 49 0, 0.0 11,-0.0 0, 0.0 -2,-0.0 0.214 360.0 360.0 -74.7 173.2 5.5 17.5 10.8 17 29 A N 0 0 158 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.230 360.0 360.0-164.8 360.0 5.1 19.2 7.4 18 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 19 35 A I 0 0 198 0, 0.0 2,-1.2 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -5.4 7.9 15.1 -3.8 20 36 A T - 0 0 145 2,-0.0 2,-0.4 0, 0.0 0, 0.0 -0.802 360.0-167.4 -69.6 103.7 8.4 12.7 -1.0 21 37 A I - 0 0 85 -2,-1.2 2,-0.0 2,-0.1 0, 0.0 -0.873 33.4-166.0-111.0 136.6 11.8 14.3 -0.4 22 38 A A + 0 0 49 -2,-0.4 20,-0.1 18,-0.1 -1,-0.1 -0.487 48.9 124.3-115.0 53.2 14.6 13.1 1.7 23 39 A L S S- 0 0 100 18,-0.1 2,-0.1 17,-0.1 18,-0.1 -0.763 77.9 -85.0 -94.2 157.8 16.5 16.3 1.8 24 40 A P - 0 0 67 0, 0.0 2,-0.4 0, 0.0 16,-0.2 -0.443 47.4-168.5 -68.6 135.5 17.3 17.5 5.3 25 41 A H E -B 39 0A 80 14,-2.0 14,-3.7 -2,-0.1 2,-0.4 -0.992 4.7-155.3-123.3 136.1 14.4 19.5 6.9 26 42 A Y E +B 38 0A 95 -2,-0.4 2,-0.3 12,-0.2 12,-0.2 -0.863 18.0 166.1-109.9 142.4 14.8 21.4 10.1 27 43 A V E -B 37 0A 44 10,-2.0 10,-3.1 -2,-0.4 2,-0.6 -0.982 34.2-124.7-147.8 154.3 12.0 22.3 12.5 28 44 A D E -B 36 0A 101 -2,-0.3 8,-0.2 8,-0.2 5,-0.1 -0.943 31.8-124.4 -98.5 120.2 11.6 23.6 16.1 29 45 A L > - 0 0 4 6,-2.0 3,-1.5 -2,-0.6 6,-0.2 -0.571 30.1-127.2 -63.0 111.8 9.4 21.3 18.1 30 46 A P T 3 S+ 0 0 99 0, 0.0 2,-1.4 0, 0.0 5,-0.1 0.790 95.0 52.7 -30.6 -87.3 6.7 23.8 19.4 31 47 A G T 3 S+ 0 0 81 -3,-0.0 2,-0.3 2,-0.0 -2,-0.1 0.386 113.8 32.9 -42.5 1.6 6.4 23.5 23.2 32 48 A R X - 0 0 36 -3,-1.5 3,-0.5 -2,-1.4 2,-0.3 -0.995 63.3-123.6-161.2 159.2 10.1 24.1 23.7 33 49 A S T 3 S+ 0 0 100 -2,-0.3 -5,-0.0 1,-0.3 24,-0.0 -0.938 87.2 34.2-150.7 145.4 13.6 25.5 22.9 34 50 A N T 3 S+ 0 0 40 -2,-0.3 2,-0.3 24,-0.0 -1,-0.3 -0.127 85.3 116.4 -95.0 97.1 16.2 24.7 22.3 35 51 A F < + 0 0 0 -3,-0.5 -6,-2.0 -6,-0.2 2,-0.3 -0.599 32.0 166.8-118.4 72.2 14.8 21.7 20.5 36 52 A K E -B 28 0A 52 -2,-0.3 11,-0.4 -8,-0.2 2,-0.4 -0.665 17.8-160.8 -76.6 137.1 15.8 22.0 16.9 37 53 A L E -B 27 0A 0 -10,-3.1 -10,-2.0 -2,-0.3 2,-0.6 -0.965 9.9-151.9-119.5 138.3 15.2 18.7 15.0 38 54 A M E -BC 26 45A 37 7,-3.1 7,-3.0 -2,-0.4 2,-0.8 -0.956 9.5-157.2-106.5 122.6 16.7 17.6 11.8 39 55 A Y E +BC 25 44A 25 -14,-3.7 -14,-2.0 -2,-0.6 2,-0.4 -0.874 15.8 174.8 -97.0 110.4 14.6 15.3 9.7 40 56 A I E > S- C 0 43A 40 3,-2.0 3,-1.8 -2,-0.8 2,-0.2 -0.980 71.0 -16.2-118.7 141.1 16.7 13.3 7.3 41 57 A M T 3 S- 0 0 95 -2,-0.4 -18,-0.1 1,-0.2 -20,-0.1 -0.552 130.9 -44.7 51.5-133.9 14.9 10.6 5.3 42 58 A G T 3 S+ 0 0 61 -2,-0.2 -1,-0.2 -36,-0.1 -20,-0.0 0.400 116.8 106.7 -94.4 5.5 11.8 10.4 7.5 43 59 A F E < -C 40 0A 46 -3,-1.8 -3,-2.0 1,-0.0 2,-0.3 -0.674 66.7-127.1-103.8 137.5 13.7 10.4 10.8 44 60 A P E -C 39 0A 5 0, 0.0 50,-2.4 0, 0.0 2,-0.5 -0.543 25.0-165.7 -75.5 132.5 14.1 13.1 13.5 45 61 A I E -CD 38 93A 8 -7,-3.0 -7,-3.1 -2,-0.3 2,-0.6 -0.981 8.4-154.3-121.0 128.2 17.7 13.7 14.4 46 62 A D E - D 0 92A 0 46,-3.1 46,-2.8 -2,-0.5 2,-0.4 -0.885 20.4-179.2-100.2 117.6 18.7 15.7 17.5 47 63 A T E - D 0 91A 11 -2,-0.6 10,-2.4 -11,-0.4 2,-0.3 -0.924 8.0-171.3-119.1 146.6 22.1 17.4 17.2 48 64 A E E +eD 57 90A 0 42,-2.1 42,-2.5 -2,-0.4 2,-0.3 -0.965 7.8 168.4-129.7 149.5 24.1 19.5 19.7 49 65 A M E - D 0 89A 42 8,-1.7 10,-0.3 -2,-0.3 40,-0.2 -0.957 35.9-138.9-156.1 148.1 27.3 21.6 19.4 50 66 A E S S+ 0 0 138 38,-1.1 -1,-0.1 -2,-0.3 3,-0.1 0.974 89.1 81.8 -62.6 -57.5 29.2 24.1 21.5 51 67 A K S S- 0 0 153 37,-0.2 -2,-0.0 1,-0.1 0, 0.0 -0.265 96.5-110.2 -48.5 125.9 29.9 26.2 18.4 52 68 A D + 0 0 133 1,-0.0 2,-0.3 6,-0.0 -1,-0.1 -0.254 49.3 169.2 -59.8 152.3 26.8 28.3 17.6 53 69 A S - 0 0 52 3,-0.3 -1,-0.0 -4,-0.1 -4,-0.0 -0.910 45.8-115.6-156.5 178.4 24.9 27.3 14.5 54 70 A E S S+ 0 0 141 -2,-0.3 -1,-0.1 1,-0.0 -2,-0.0 0.803 110.1 21.1 -92.8 -36.2 21.8 27.7 12.4 55 71 A Y S S+ 0 0 100 2,-0.1 2,-0.3 -19,-0.1 -8,-0.2 0.329 103.8 85.6-122.5 4.8 20.4 24.2 12.7 56 72 A S - 0 0 16 -10,-0.1 -3,-0.3 -7,-0.0 -8,-0.2 -0.834 68.6-124.6-108.1 150.8 22.0 22.6 15.8 57 73 A N B -e 48 0A 1 -10,-2.4 -8,-1.7 -2,-0.3 2,-0.1 -0.399 34.0-103.8 -76.0 163.2 20.9 22.7 19.5 58 74 A K - 0 0 105 -10,-0.2 2,-0.3 1,-0.1 -8,-0.2 -0.396 54.5 -73.9 -76.9 166.0 23.2 23.9 22.1 59 75 A I - 0 0 59 -10,-0.3 2,-0.3 -11,-0.1 -1,-0.1 -0.475 53.5-132.3 -62.7 124.8 24.8 21.4 24.5 60 76 A R - 0 0 10 -2,-0.3 70,-0.1 1,-0.1 2,-0.1 -0.576 19.0-111.0 -81.5 141.4 22.2 20.1 26.9 61 77 A Q - 0 0 151 -2,-0.3 70,-2.0 68,-0.2 2,-0.4 -0.404 32.9-113.1 -63.1 140.9 23.0 19.9 30.7 62 78 A E B -f 131 0A 110 68,-0.2 70,-0.2 -2,-0.1 -1,-0.1 -0.648 32.8-117.3 -76.3 129.9 23.3 16.4 32.2 63 79 A S - 0 0 18 68,-2.9 70,-0.2 -2,-0.4 -1,-0.1 -0.305 7.2-137.8 -59.7 146.9 20.5 15.6 34.7 64 80 A K + 0 0 203 2,-0.1 -1,-0.1 68,-0.1 2,-0.1 0.538 67.8 121.2 -81.5 -12.0 21.5 14.9 38.3 65 81 A I S S- 0 0 59 1,-0.1 2,-0.2 66,-0.1 274,-0.1 -0.352 73.8-110.0 -58.0 128.2 19.0 12.0 38.3 66 82 A S > - 0 0 26 1,-0.2 4,-1.7 -2,-0.1 -1,-0.1 -0.375 19.7-156.8 -62.0 124.9 20.7 8.7 39.1 67 83 A K T 4 S+ 0 0 58 -2,-0.2 -1,-0.2 1,-0.2 76,-0.1 0.700 92.2 45.0 -74.5 -20.5 20.8 6.4 36.1 68 84 A T T 4 S+ 0 0 76 74,-0.0 -1,-0.2 75,-0.0 -2,-0.1 0.793 135.1 7.9 -94.0 -30.9 21.1 3.3 38.3 69 85 A E T 4 S+ 0 0 71 268,-0.1 204,-0.2 2,-0.0 -2,-0.2 0.469 103.5 101.0-128.9 -12.2 18.5 4.0 40.9 70 86 A G < - 0 0 3 -4,-1.7 2,-0.3 202,-0.1 76,-0.1 -0.052 47.8-157.2 -75.6 176.9 16.5 7.1 39.8 71 87 A T - 0 0 17 199,-0.1 2,-0.4 75,-0.1 73,-0.1 -0.946 15.3-128.2-142.2 160.5 13.2 7.5 38.1 72 88 A V - 0 0 3 -2,-0.3 198,-0.1 71,-0.3 6,-0.0 -0.895 50.3 -84.0-103.7 148.3 11.5 10.2 36.0 73 89 A S > - 0 0 8 -2,-0.4 3,-1.8 1,-0.2 197,-0.1 -0.225 30.7-136.0 -47.6 131.9 8.0 11.4 37.1 74 90 A Y T 3 S+ 0 0 50 1,-0.3 27,-0.2 195,-0.2 -1,-0.2 0.590 104.2 63.4 -68.2 -9.0 5.3 9.0 35.8 75 91 A E T 3 S+ 0 0 88 194,-0.1 2,-0.3 25,-0.1 -1,-0.3 0.384 91.7 87.2 -93.8 1.8 3.4 12.1 34.9 76 92 A Q S < S- 0 0 68 -3,-1.8 25,-0.5 193,-0.1 2,-0.3 -0.777 70.6-134.0-107.0 146.7 6.0 13.3 32.4 77 93 A K - 0 0 99 -2,-0.3 50,-0.4 23,-0.2 2,-0.3 -0.698 29.2-158.7 -86.4 151.1 6.6 12.5 28.8 78 94 A I E -G 99 0A 1 21,-2.9 21,-2.3 -2,-0.3 2,-0.5 -0.844 15.0-133.6-129.2 161.3 10.2 11.7 27.8 79 95 A T E - H 0 125A 1 46,-1.8 46,-3.2 -2,-0.3 2,-0.5 -0.983 18.7-158.8-117.5 129.8 12.3 11.8 24.8 80 96 A V E +GH 96 124A 0 16,-2.8 15,-2.9 -2,-0.5 16,-2.1 -0.937 15.8 175.4-111.9 128.8 14.5 8.7 24.1 81 97 A E E -GH 94 123A 0 42,-2.6 42,-2.5 -2,-0.5 2,-0.4 -0.946 15.7-161.6-134.4 151.0 17.5 9.0 21.8 82 98 A T E +GH 93 122A 1 11,-2.4 11,-2.6 -2,-0.3 2,-0.3 -0.996 40.5 83.7-135.5 138.1 20.3 6.8 20.7 83 99 A G E -GH 92 121A 0 38,-2.6 38,-3.1 -2,-0.4 2,-0.3 -0.907 60.5 -68.4 171.6-143.0 23.6 7.9 19.1 84 100 A Q E -G 91 0A 50 7,-1.9 7,-2.3 -2,-0.3 2,-0.3 -0.956 27.3-168.1-150.2 158.2 27.1 9.1 19.6 85 101 A E E +G 90 0A 47 -2,-0.3 2,-0.3 5,-0.2 5,-0.2 -0.974 10.8 160.1-157.8 138.0 29.0 12.1 20.8 86 102 A K E > -G 89 0A 161 3,-2.4 3,-1.3 -2,-0.3 -2,-0.0 -0.945 62.8 -4.9-157.8 141.3 32.6 13.5 20.9 87 103 A D T 3 S- 0 0 146 -2,-0.3 -37,-0.1 1,-0.3 3,-0.1 0.841 128.3 -42.0 49.9 52.4 34.3 16.8 21.3 88 104 A G T 3 S+ 0 0 17 1,-0.2 -38,-1.1 -39,-0.1 2,-0.4 0.653 117.0 106.0 72.1 15.8 31.3 19.1 21.5 89 105 A V E < +DG 49 86A 66 -3,-1.3 -3,-2.4 -40,-0.2 2,-0.4 -0.997 43.1 178.3-123.8 130.6 29.4 17.4 18.7 90 106 A K E -DG 48 85A 27 -42,-2.5 -42,-2.1 -2,-0.4 2,-0.4 -0.995 7.1-178.7-134.4 131.5 26.4 15.2 19.5 91 107 A V E +DG 47 84A 43 -7,-2.3 -7,-1.9 -2,-0.4 2,-0.4 -0.960 9.9 173.7-134.0 115.9 24.2 13.3 17.0 92 108 A Y E -DG 46 83A 0 -46,-2.8 -46,-3.1 -2,-0.4 2,-0.3 -0.981 29.1-136.1-129.3 128.0 21.2 11.3 18.2 93 109 A R E -DG 45 82A 0 -11,-2.6 -11,-2.4 -2,-0.4 2,-0.6 -0.639 31.9-125.3 -68.7 131.6 18.5 9.5 16.3 94 110 A V E + G 0 81A 0 -50,-2.4 -13,-0.3 -2,-0.3 3,-0.2 -0.761 34.2 172.9 -83.7 120.3 15.2 10.2 18.2 95 111 A M E S+ 0 0 0 -15,-2.9 -84,-2.5 -2,-0.6 2,-0.4 0.809 74.6 17.6 -96.1 -36.4 13.6 6.9 19.1 96 112 A V E S-aG 11 80A 0 -16,-2.1 -16,-2.8 -86,-0.2 2,-0.7 -0.981 71.4-159.5-137.5 123.5 10.7 8.3 21.2 97 113 A L E S-a 12 0A 2 -86,-3.1 -84,-0.6 -2,-0.4 -83,-0.3 -0.889 73.2 -33.3-110.7 104.4 9.8 12.0 20.9 98 114 A E E S+ 0 0 60 -2,-0.7 2,-0.3 27,-0.2 -19,-0.2 0.944 95.2 153.7 49.7 54.7 7.8 13.3 24.0 99 115 A G E - G 0 78A 3 -21,-2.3 -21,-2.9 -3,-0.1 -1,-0.2 -0.740 48.4 -94.5-106.6 161.6 6.1 9.9 24.5 100 116 A T > - 0 0 46 -2,-0.3 4,-2.4 -23,-0.2 -23,-0.2 -0.251 34.8-112.0 -66.9 161.4 4.7 8.5 27.8 101 117 A I H > S+ 0 0 4 -25,-0.5 4,-2.7 -27,-0.2 5,-0.2 0.952 119.0 48.6 -58.2 -51.0 6.8 6.2 29.9 102 118 A A H > S+ 0 0 58 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.897 110.5 50.0 -58.6 -46.0 4.5 3.2 29.1 103 119 A E H > S+ 0 0 78 2,-0.2 4,-2.9 1,-0.2 -1,-0.2 0.924 111.9 50.5 -55.9 -44.2 4.5 4.0 25.3 104 120 A S H X S+ 0 0 0 -4,-2.4 4,-3.0 2,-0.2 5,-0.2 0.953 107.3 50.9 -60.7 -54.5 8.3 4.1 25.5 105 121 A I H X S+ 0 0 35 -4,-2.7 4,-0.6 1,-0.2 -1,-0.2 0.904 114.9 45.0 -48.2 -47.3 8.8 0.8 27.3 106 122 A E H >< S+ 0 0 133 -4,-2.1 3,-1.0 -5,-0.2 -1,-0.2 0.941 114.6 47.9 -63.2 -47.2 6.6 -0.8 24.7 107 123 A H H >< S+ 0 0 12 -4,-2.9 3,-1.0 1,-0.3 -2,-0.2 0.839 107.1 55.5 -67.8 -33.5 8.3 0.9 21.8 108 124 A L H 3< S+ 0 0 2 -4,-3.0 -1,-0.3 1,-0.2 -2,-0.2 0.613 96.9 65.7 -78.5 -10.0 11.8 0.1 23.0 109 125 A D T << S+ 0 0 95 -3,-1.0 2,-0.3 -4,-0.6 -1,-0.2 0.277 74.3 116.8 -94.8 12.0 11.1 -3.7 23.2 110 126 A K X - 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