==== 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 14-DEC-08 3FJ4 . COMPND 2 MOLECULE: MUCONATE CYCLOISOMERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOMONAS FLUORESCENS; . AUTHOR A.A.FEDOROV,E.V.FEDOROV,A.SAKAI,J.A.GERLT,S.C.ALMO,S.K.BURLE . 742 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 25610.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 535 72.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 66 8.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 80 10.8 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 . 2 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 0.5 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 . 55 7.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 60 8.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 234 31.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 20 2.7 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 6 2 0 2 0 0 6 4 2 3 1 2 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 8 5 3 2 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 PARALLEL BRIDGES PER LADDER . 8 0 4 0 0 0 2 0 0 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 2 2 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 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 H > 0 0 137 0, 0.0 3,-1.9 0, 0.0 40,-0.2 0.000 360.0 360.0 360.0 151.9 -15.1 14.8 14.0 2 5 A A T 3 + 0 0 72 1,-0.3 80,-0.0 39,-0.1 38,-0.0 0.751 360.0 46.3 -60.0 -25.1 -15.1 12.2 16.8 3 6 A S T 3 S+ 0 0 8 38,-0.2 80,-2.2 37,-0.1 -1,-0.3 0.058 81.7 152.2-106.3 23.6 -15.5 15.0 19.3 4 7 A A B < -A 82 0A 16 -3,-1.9 37,-2.8 78,-0.2 2,-0.4 -0.213 52.5-112.3 -55.4 141.9 -18.3 16.9 17.5 5 8 A I E +B 40 0B 2 76,-2.5 75,-2.5 73,-0.4 35,-0.2 -0.662 37.3 177.1 -77.2 126.9 -20.6 18.9 19.7 6 9 A E E + 0 0 123 33,-2.8 2,-0.3 -2,-0.4 34,-0.2 0.769 59.0 3.5-102.7 -32.8 -24.0 17.2 19.6 7 10 A S E -B 39 0B 47 32,-1.5 32,-2.1 71,-0.1 2,-0.4 -0.998 46.9-161.8-156.2 152.8 -26.0 19.3 22.1 8 11 A I E -B 38 0B 17 -2,-0.3 2,-0.4 30,-0.2 30,-0.2 -0.971 15.4-173.4-136.9 116.2 -25.9 22.3 24.3 9 12 A E E -B 37 0B 76 28,-2.5 28,-2.8 -2,-0.4 2,-0.5 -0.925 7.9-159.2-114.1 137.0 -28.4 22.8 27.1 10 13 A T E -B 36 0B 3 -2,-0.4 2,-0.4 26,-0.2 26,-0.2 -0.968 10.0-173.0-115.6 129.7 -28.8 25.9 29.2 11 14 A I E -B 35 0B 4 24,-2.5 24,-3.5 -2,-0.5 2,-0.5 -0.985 16.5-143.9-127.4 124.1 -30.5 25.6 32.6 12 15 A I E -B 34 0B 17 -2,-0.4 359,-2.1 22,-0.2 2,-0.4 -0.750 22.5-168.8 -87.0 126.0 -31.4 28.5 34.8 13 16 A V E -BC 33 370B 0 20,-3.2 20,-2.9 -2,-0.5 2,-0.6 -0.959 13.4-153.7-121.6 133.4 -31.0 27.6 38.5 14 17 A D E -B 32 0B 47 355,-1.9 18,-0.2 -2,-0.4 -2,-0.0 -0.920 20.4-177.1-107.2 118.4 -32.1 29.6 41.5 15 18 A L E -B 31 0B 2 16,-3.4 16,-2.7 -2,-0.6 2,-0.2 -0.875 23.8-116.8-119.0 148.8 -30.1 29.0 44.7 16 19 A P E -B 30 0B 45 0, 0.0 318,-2.1 0, 0.0 319,-0.7 -0.498 27.2-147.1 -80.8 149.2 -30.5 30.3 48.3 17 20 A T E -E 333 0C 25 12,-0.5 316,-0.2 316,-0.3 315,-0.1 -0.727 22.0-117.0-114.7 165.7 -27.8 32.4 50.0 18 21 A I E S- 0 0 77 314,-2.3 315,-0.1 -2,-0.2 314,-0.1 0.709 88.7 -19.7 -73.3 -22.2 -26.5 32.8 53.6 19 22 A R E S- 0 0 30 313,-0.3 -1,-0.2 9,-0.0 9,-0.1 -0.965 84.6 -65.0-176.5 161.8 -27.6 36.4 53.9 20 23 A P E - 0 0 53 0, 0.0 2,-0.6 0, 0.0 9,-0.2 -0.358 44.1-151.7 -59.7 135.4 -28.5 39.6 52.1 21 24 A H E -B 28 0B 3 7,-1.9 7,-3.2 9,-0.1 2,-0.8 -0.932 10.3-152.3-113.6 106.6 -25.5 40.9 50.1 22 25 A K E -B 27 0B 96 120,-2.6 5,-0.3 -2,-0.6 2,-0.2 -0.720 15.6-179.7 -92.0 111.4 -25.7 44.6 49.7 23 26 A L - 0 0 7 3,-3.4 3,-0.3 -2,-0.8 147,-0.1 -0.594 44.2-105.2 -97.0 161.8 -24.1 46.2 46.7 24 27 A A S S+ 0 0 24 145,-0.3 3,-0.1 1,-0.2 -1,-0.1 0.820 121.9 26.9 -57.7 -31.1 -24.1 50.0 46.0 25 28 A M S S+ 0 0 62 1,-0.2 2,-0.3 443,-0.0 -1,-0.2 0.454 130.1 19.7-111.9 -2.6 -26.7 49.4 43.3 26 29 A H - 0 0 63 -3,-0.3 -3,-3.4 2,-0.0 2,-0.6 -0.961 57.5-136.8-167.8 145.9 -28.5 46.2 44.4 27 30 A T E -B 22 0B 50 -2,-0.3 2,-0.3 -5,-0.3 -5,-0.3 -0.938 26.0-142.1-110.2 117.7 -29.2 44.0 47.4 28 31 A M E +B 21 0B 4 -7,-3.2 -7,-1.9 -2,-0.6 3,-0.1 -0.612 24.7 173.0 -80.4 134.0 -28.9 40.3 46.7 29 32 A Q E S- 0 0 121 1,-0.3 -12,-0.5 -2,-0.3 2,-0.3 0.441 74.1 -15.3-114.3 -9.2 -31.4 38.0 48.5 30 33 A N E S-B 16 0B 70 -14,-0.2 2,-0.4 -9,-0.1 -1,-0.3 -0.933 73.2-104.9-173.8-178.6 -30.4 34.8 46.6 31 34 A Q E -B 15 0B 9 -16,-2.7 -16,-3.4 -2,-0.3 2,-0.4 -0.984 16.4-157.6-133.7 144.0 -28.4 33.8 43.5 32 35 A T E -B 14 0B 18 -2,-0.4 20,-0.6 20,-0.3 2,-0.3 -0.967 13.0-172.0-120.5 130.1 -29.3 32.6 40.0 33 36 A L E -BD 13 51B 1 -20,-2.9 -20,-3.2 -2,-0.4 2,-0.6 -0.798 19.7-139.7-117.7 160.6 -26.9 30.6 37.8 34 37 A V E -BD 12 50B 0 16,-1.0 16,-2.2 -2,-0.3 2,-0.3 -0.971 22.2-153.9-120.5 111.9 -27.1 29.5 34.2 35 38 A L E -BD 11 49B 1 -24,-3.5 -24,-2.5 -2,-0.6 2,-0.5 -0.695 1.7-154.6 -87.6 138.9 -25.7 26.0 33.8 36 39 A I E -BD 10 48B 0 12,-2.8 12,-2.0 -2,-0.3 2,-0.6 -0.966 7.2-170.4-115.4 123.3 -24.3 24.9 30.5 37 40 A R E -BD 9 47B 12 -28,-2.8 -28,-2.5 -2,-0.5 2,-0.6 -0.947 7.3-176.2-115.2 109.4 -24.3 21.2 29.6 38 41 A L E -BD 8 46B 0 8,-2.9 8,-3.3 -2,-0.6 2,-0.4 -0.926 4.5-166.2-112.5 115.2 -22.3 20.5 26.5 39 42 A R E -BD 7 45B 111 -32,-2.1 -33,-2.8 -2,-0.6 -32,-1.5 -0.847 3.8-156.4-106.1 135.4 -22.2 17.0 25.2 40 43 A C E > -B 5 0B 3 4,-2.8 3,-1.6 -2,-0.4 -35,-0.2 -0.671 30.4-110.2-108.0 161.8 -19.8 15.6 22.6 41 44 A A T 3 S+ 0 0 40 -37,-2.8 -38,-0.2 1,-0.3 -36,-0.1 0.686 113.8 64.3 -61.6 -21.5 -19.9 12.7 20.1 42 45 A D T 3 S- 0 0 61 -38,-0.2 -1,-0.3 2,-0.1 3,-0.1 0.219 122.6-101.6 -89.4 17.2 -17.3 10.8 22.1 43 46 A G S < S+ 0 0 73 -3,-1.6 2,-0.4 1,-0.2 -2,-0.2 0.560 79.8 133.7 78.4 9.5 -19.6 10.6 25.1 44 47 A I - 0 0 33 -4,-0.1 -4,-2.8 2,-0.0 2,-0.4 -0.777 39.0-159.0 -98.0 136.0 -18.0 13.4 27.1 45 48 A E E -D 39 0B 39 -2,-0.4 2,-0.4 -6,-0.2 -6,-0.2 -0.933 4.1-159.3-112.7 135.0 -20.1 16.1 28.8 46 49 A G E -D 38 0B 0 -8,-3.3 -8,-2.9 -2,-0.4 2,-0.4 -0.908 6.5-149.4-113.3 142.2 -18.6 19.5 29.7 47 50 A L E +D 37 0B 3 -2,-0.4 2,-0.3 62,-0.2 66,-0.2 -0.919 19.7 168.7-115.1 137.6 -20.1 21.8 32.3 48 51 A G E -D 36 0B 0 -12,-2.0 -12,-2.8 -2,-0.4 2,-0.4 -0.911 18.6-144.0-139.2 166.1 -19.9 25.5 32.4 49 52 A E E -D 35 0B 2 -2,-0.3 2,-0.5 -14,-0.2 -14,-0.2 -0.997 9.9-173.1-140.7 133.9 -21.5 28.4 34.3 50 53 A S E +D 34 0B 2 -16,-2.2 -16,-1.0 -2,-0.4 2,-0.4 -0.979 25.5 163.2-123.4 112.0 -22.6 31.9 33.3 51 54 A T E +D 33 0B 0 -2,-0.5 2,-0.2 -18,-0.2 -18,-0.1 -0.979 10.6 171.6-134.7 145.5 -23.7 33.9 36.4 52 55 A T - 0 0 2 -20,-0.6 2,-0.4 -2,-0.4 -20,-0.3 -0.524 32.1 -95.1-130.7-160.0 -24.3 37.6 37.1 53 56 A I S >S- 0 0 7 -2,-0.2 5,-0.9 2,-0.2 6,-0.4 -0.991 84.4 -9.8-133.8 132.0 -25.7 39.8 39.8 54 57 A G T > 5S- 0 0 22 -2,-0.4 3,-2.0 3,-0.2 2,-1.1 0.793 99.7 -87.7 58.0 39.0 -29.2 41.2 40.3 55 58 A G T 3 5S- 0 0 16 1,-0.3 4,-0.3 2,-0.1 -2,-0.2 -0.529 105.0 -15.0 71.0 -99.3 -30.7 40.5 36.9 56 59 A L T 3 5S+ 0 0 3 -2,-1.1 414,-2.8 412,-0.3 -1,-0.3 0.224 113.7 96.7-120.2 8.9 -29.7 43.5 34.8 57 60 A A T < 5S+ 0 0 9 -3,-2.0 -3,-0.2 412,-0.2 -2,-0.1 0.730 96.2 29.6 -72.5 -21.6 -28.7 45.8 37.7 58 61 A Y S - 0 0 0 -2,-0.5 4,-2.5 1,-0.1 5,-0.2 -0.700 39.2-108.7-107.1 163.1 -29.4 38.5 32.6 63 66 A P H > S+ 0 0 7 0, 0.0 4,-1.9 0, 0.0 5,-0.1 0.924 123.4 52.0 -55.8 -38.0 -29.6 34.8 33.4 64 67 A D H > S+ 0 0 18 1,-0.2 4,-2.0 2,-0.2 5,-0.1 0.933 111.3 42.1 -62.5 -51.1 -32.7 34.9 31.2 65 68 A S H > S+ 0 0 3 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.794 109.8 59.4 -71.0 -26.6 -31.2 36.7 28.2 66 69 A I H X S+ 0 0 0 -4,-2.5 4,-2.3 2,-0.2 5,-0.3 0.931 107.7 45.6 -65.2 -44.8 -28.0 34.5 28.5 67 70 A K H X S+ 0 0 63 -4,-1.9 4,-2.6 -5,-0.2 5,-0.3 0.926 113.4 50.9 -63.0 -43.7 -30.2 31.4 28.0 68 71 A T H X S+ 0 0 31 -4,-2.0 4,-2.5 1,-0.2 5,-0.2 0.939 113.9 42.1 -59.4 -51.3 -32.0 33.1 25.1 69 72 A N H X>S+ 0 0 3 -4,-2.8 4,-2.0 2,-0.2 5,-1.5 0.841 115.9 48.4 -69.1 -34.7 -28.9 34.1 23.2 70 73 A I H <>S+ 0 0 0 -4,-2.3 5,-3.2 -5,-0.2 4,-0.3 0.966 116.6 42.5 -68.9 -49.9 -27.1 30.8 23.8 71 74 A D H <5S+ 0 0 61 -4,-2.6 -2,-0.2 -5,-0.3 -3,-0.2 0.897 123.5 37.5 -61.3 -42.2 -30.1 28.7 22.8 72 75 A R H <5S+ 0 0 108 -4,-2.5 -1,-0.2 -5,-0.3 -2,-0.2 0.769 136.4 8.4 -84.0 -28.5 -30.9 30.9 19.8 73 76 A F T X5S+ 0 0 34 -4,-2.0 4,-0.9 -5,-0.2 -3,-0.2 0.738 125.1 46.0-124.0 -39.5 -27.5 31.9 18.5 74 77 A V H >> -A 4 0A 39 -78,-0.2 3,-1.1 1,-0.2 -78,-0.2 -0.543 30.2-161.2 -69.3 115.8 -15.2 19.8 16.8 83 86 A A T 3 S+ 0 0 0 -80,-2.2 -1,-0.2 -2,-0.5 32,-0.1 0.687 84.0 69.0 -72.2 -18.6 -15.2 20.3 20.6 84 87 A S T 3 S+ 0 0 36 1,-0.2 2,-0.7 2,-0.1 -1,-0.2 0.554 88.5 67.1 -78.3 -8.4 -11.5 19.4 20.9 85 88 A N <> + 0 0 79 -3,-1.1 4,-1.8 1,-0.2 -1,-0.2 -0.762 60.3 168.2-113.7 83.5 -10.5 22.6 19.1 86 89 A I H > S+ 0 0 16 -2,-0.7 4,-2.7 2,-0.2 5,-0.3 0.888 72.2 54.7 -63.9 -43.3 -11.5 25.3 21.6 87 90 A N H > S+ 0 0 80 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.946 110.5 46.5 -58.3 -47.8 -9.7 28.2 20.0 88 91 A A H > S+ 0 0 47 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.880 113.2 50.1 -62.3 -38.0 -11.4 27.6 16.6 89 92 A A H X S+ 0 0 4 -4,-1.8 4,-1.7 2,-0.2 -1,-0.2 0.919 112.2 45.3 -67.3 -44.6 -14.8 27.2 18.3 90 93 A M H X S+ 0 0 15 -4,-2.7 4,-2.6 2,-0.2 -2,-0.2 0.866 113.0 50.1 -69.7 -34.4 -14.5 30.4 20.3 91 94 A L H X S+ 0 0 97 -4,-2.3 4,-1.9 -5,-0.3 -1,-0.2 0.855 106.7 56.5 -70.7 -32.8 -13.2 32.4 17.3 92 95 A R H X S+ 0 0 82 -4,-1.7 4,-0.6 -5,-0.2 -2,-0.2 0.903 110.5 45.0 -63.3 -39.6 -16.1 31.0 15.3 93 96 A L H >X S+ 0 0 0 -4,-1.7 4,-2.3 1,-0.2 3,-1.2 0.937 109.6 55.6 -67.4 -46.3 -18.4 32.5 18.0 94 97 A E H 3< S+ 0 0 77 -4,-2.6 -2,-0.2 1,-0.3 -1,-0.2 0.796 103.1 54.3 -58.3 -33.0 -16.5 35.8 18.1 95 98 A Q H 3< S+ 0 0 139 -4,-1.9 -1,-0.3 1,-0.2 -2,-0.2 0.705 121.7 28.5 -78.5 -15.7 -16.9 36.4 14.4 96 99 A S H << S+ 0 0 48 -3,-1.2 2,-0.5 -4,-0.6 332,-0.3 0.521 115.6 60.5-118.1 -11.1 -20.7 36.1 14.5 97 100 A I < - 0 0 3 -4,-2.3 2,-0.3 332,-0.1 332,-0.2 -0.956 64.0-156.1-127.9 117.9 -21.6 37.2 18.1 98 101 A R - 0 0 79 330,-2.7 332,-0.1 333,-0.5 333,-0.1 -0.694 63.8 -25.8 -89.4 139.3 -20.8 40.6 19.5 99 102 A G S S+ 0 0 25 -2,-0.3 5,-0.1 1,-0.1 -2,-0.1 -0.337 73.7 128.9 62.5-137.2 -20.5 41.0 23.3 100 103 A N > + 0 0 7 1,-0.1 4,-2.4 3,-0.1 5,-0.2 0.894 27.9 160.8 52.0 44.7 -22.3 38.4 25.3 101 104 A T H > + 0 0 21 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.841 67.5 56.7 -66.0 -34.7 -19.2 37.7 27.3 102 105 A F H > S+ 0 0 5 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.936 110.9 44.7 -61.6 -45.5 -21.0 36.1 30.2 103 106 A A H > S+ 0 0 1 1,-0.2 4,-2.0 2,-0.2 -2,-0.2 0.936 113.6 49.8 -62.9 -47.3 -22.6 33.6 27.8 104 107 A K H X S+ 0 0 4 -4,-2.4 4,-2.8 1,-0.2 5,-0.3 0.876 106.6 56.6 -60.4 -37.2 -19.2 33.0 26.0 105 108 A S H X S+ 0 0 1 -4,-2.7 4,-2.1 169,-0.2 -1,-0.2 0.915 107.5 47.5 -61.7 -43.4 -17.5 32.4 29.4 106 109 A G H X S+ 0 0 0 -4,-1.7 4,-2.0 2,-0.2 -1,-0.2 0.905 112.5 50.0 -64.4 -41.2 -19.9 29.6 30.3 107 110 A I H X S+ 0 0 0 -4,-2.0 4,-2.3 2,-0.2 -2,-0.2 0.940 112.4 45.1 -63.2 -49.7 -19.5 28.0 26.9 108 111 A E H X S+ 0 0 3 -4,-2.8 4,-2.6 1,-0.2 -1,-0.2 0.867 110.3 55.4 -64.6 -35.1 -15.7 28.1 27.0 109 112 A S H X S+ 0 0 0 -4,-2.1 4,-2.4 -5,-0.3 -62,-0.2 0.923 109.1 47.9 -62.2 -42.3 -15.7 26.8 30.5 110 113 A A H X S+ 0 0 0 -4,-2.0 4,-2.5 2,-0.2 -63,-0.2 0.919 111.8 49.2 -63.8 -44.7 -17.8 23.8 29.4 111 114 A L H X S+ 0 0 0 -4,-2.3 4,-2.7 1,-0.2 -1,-0.2 0.890 112.0 49.1 -62.1 -39.9 -15.5 23.1 26.4 112 115 A L H X S+ 0 0 5 -4,-2.6 4,-2.1 2,-0.2 -2,-0.2 0.908 110.0 50.9 -66.8 -41.5 -12.5 23.3 28.8 113 116 A D H X S+ 0 0 0 -4,-2.4 4,-1.9 -66,-0.2 -2,-0.2 0.942 113.7 45.5 -60.4 -46.5 -14.1 20.9 31.2 114 117 A A H X S+ 0 0 0 -4,-2.5 4,-2.7 1,-0.2 -2,-0.2 0.914 112.8 48.9 -64.0 -44.6 -14.8 18.5 28.4 115 118 A Q H X S+ 0 0 24 -4,-2.7 4,-2.0 1,-0.2 -1,-0.2 0.824 109.1 54.4 -65.9 -31.0 -11.4 18.7 26.8 116 119 A G H X>S+ 0 0 0 -4,-2.1 5,-2.5 2,-0.2 4,-1.1 0.918 110.9 44.1 -68.4 -42.6 -9.8 18.2 30.3 117 120 A K H <5S+ 0 0 80 -4,-1.9 3,-0.3 238,-0.2 -2,-0.2 0.921 111.4 56.0 -65.9 -42.7 -11.8 15.0 30.7 118 121 A R H <5S+ 0 0 50 -4,-2.7 -2,-0.2 1,-0.2 -1,-0.2 0.875 119.1 30.6 -56.7 -42.0 -10.9 14.0 27.2 119 122 A L H <5S- 0 0 94 -4,-2.0 -1,-0.2 2,-0.2 -2,-0.2 0.486 108.8-118.9 -97.3 -4.5 -7.2 14.3 27.8 120 123 A G T <5S+ 0 0 44 -4,-1.1 -3,-0.2 -3,-0.3 -4,-0.1 0.869 74.1 120.4 68.9 37.4 -7.3 13.3 31.4 121 124 A L < - 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