==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=4-JAN-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LYASE, ISOMERASE 08-JAN-12 3VEH . COMPND 2 MOLECULE: ISOCHORISMATE SYNTHASE/ISOCHORISMATE-PYRUVATE LYA . SOURCE 2 ORGANISM_SCIENTIFIC: MYCOBACTERIUM TUBERCULOSIS; . AUTHOR E.M.BULLOCH,G.CHI,A.MANOS-TURVEY,J.M.JOHNSTON,E.N.BAKER,R.J. . 1759 6 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 67608.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1303 74.1 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 . 553 31.4 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 8 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 28 1.6 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 . 121 6.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 170 9.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 436 24.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 14 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 0 0 0 0 4 4 1 4 5 12 1 2 3 0 1 3 0 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 . 7 6 3 28 16 14 4 4 4 0 0 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 1 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 3 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 15 A S 0 0 115 0, 0.0 2,-0.2 0, 0.0 136,-0.2 0.000 360.0 360.0 360.0 127.5 -7.8 34.5 12.6 2 16 A S E -A 136 0A 71 134,-1.3 134,-2.6 2,-0.0 2,-0.4 -0.678 360.0-141.0-117.5-178.1 -11.5 34.4 11.6 3 17 A S E -A 135 0A 58 132,-0.2 132,-0.2 -2,-0.2 130,-0.0 -0.993 10.9-162.2-151.5 149.4 -14.4 32.4 12.8 4 18 A I E -A 134 0A 45 130,-2.5 130,-2.8 -2,-0.4 2,-0.1 -0.968 33.0-109.9-135.4 137.4 -17.6 30.6 11.8 5 19 A P E -A 133 0A 108 0, 0.0 128,-0.3 0, 0.0 127,-0.1 -0.468 38.1-105.4 -75.9 145.1 -20.5 29.6 13.9 6 20 A M - 0 0 25 126,-1.8 125,-0.0 -2,-0.1 123,-0.0 -0.462 37.0-112.9 -68.7 125.6 -21.0 25.9 14.7 7 21 A P > - 0 0 48 0, 0.0 3,-0.7 0, 0.0 -1,-0.1 -0.185 33.7-108.5 -56.3 159.0 -23.9 24.3 12.7 8 22 A A T 3 S+ 0 0 107 1,-0.2 -2,-0.1 3,-0.0 0, 0.0 0.897 102.8 26.5 -66.7 -62.5 -26.8 23.2 14.9 9 23 A G T 3 S+ 0 0 86 2,-0.1 2,-0.5 1,-0.0 -1,-0.2 0.326 96.5 117.5 -87.2 16.3 -27.2 19.4 15.2 10 24 A V < - 0 0 39 -3,-0.7 -1,-0.0 121,-0.1 -4,-0.0 -0.755 57.7-142.4-103.8 115.7 -23.4 18.8 14.7 11 25 A N >> - 0 0 71 -2,-0.5 4,-2.2 1,-0.1 3,-0.9 -0.491 19.0-133.1 -68.6 130.4 -21.0 17.3 17.2 12 26 A P H 3> S+ 0 0 3 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.763 104.4 57.9 -60.3 -22.5 -17.6 19.0 17.0 13 27 A A H 3> S+ 0 0 2 2,-0.2 4,-1.7 1,-0.2 5,-0.1 0.835 108.1 45.7 -71.1 -35.4 -15.8 15.5 17.0 14 28 A D H <> S+ 0 0 21 -3,-0.9 4,-2.0 2,-0.2 -1,-0.2 0.908 116.4 46.1 -78.0 -38.5 -17.6 14.5 13.9 15 29 A L H X S+ 0 0 5 -4,-2.2 4,-2.8 2,-0.2 -2,-0.2 0.934 111.4 49.2 -66.1 -49.7 -17.0 17.8 12.2 16 30 A A H X S+ 0 0 0 -4,-2.5 4,-2.1 1,-0.2 -1,-0.2 0.892 114.1 46.5 -59.3 -43.4 -13.3 18.0 13.1 17 31 A A H X S+ 0 0 0 -4,-1.7 4,-3.0 2,-0.2 -1,-0.2 0.857 110.8 52.4 -65.6 -41.3 -12.7 14.5 11.8 18 32 A E H X S+ 0 0 3 -4,-2.0 4,-2.9 2,-0.2 5,-0.5 0.907 110.0 50.3 -61.1 -44.6 -14.7 15.1 8.6 19 33 A L H X>S+ 0 0 1 -4,-2.8 4,-1.7 2,-0.2 5,-1.1 0.912 108.8 49.7 -55.0 -50.7 -12.6 18.2 8.0 20 34 A A H X5S+ 0 0 0 -4,-2.1 4,-0.7 3,-0.2 5,-0.5 0.956 116.9 44.5 -53.0 -50.7 -9.4 16.2 8.5 21 35 A A H X5S+ 0 0 16 -4,-3.0 4,-1.7 3,-0.2 -2,-0.2 0.970 123.5 28.1 -56.4 -59.2 -10.8 13.6 6.0 22 36 A V H X5S+ 0 0 56 -4,-2.9 4,-2.0 2,-0.2 -3,-0.2 0.921 124.5 42.2 -84.2 -44.7 -12.1 15.8 3.2 23 37 A V H X5S+ 0 0 1 -4,-1.7 4,-1.4 -5,-0.5 5,-0.3 0.996 116.8 43.5 -71.0 -57.2 -10.1 18.8 3.4 24 38 A T H XXS+ 0 0 5 -5,-1.1 5,-1.8 -4,-0.7 4,-0.6 0.835 113.6 55.1 -63.4 -29.1 -6.7 17.3 3.9 25 39 A E H ><5S+ 0 0 103 -4,-1.7 3,-2.4 -5,-0.5 -2,-0.2 0.996 102.9 53.7 -56.1 -70.8 -7.5 14.6 1.2 26 40 A S H 3<5S+ 0 0 31 -4,-2.0 655,-0.5 1,-0.3 -2,-0.2 0.703 120.4 34.1 -28.9 -39.5 -8.3 17.2 -1.5 27 41 A V H 3<5S- 0 0 5 -4,-1.4 -1,-0.3 -5,-0.1 -2,-0.2 0.421 104.4-132.8-105.7 1.0 -4.9 18.9 -0.8 28 42 A D T <<5 + 0 0 29 -3,-2.4 2,-0.3 -4,-0.6 -3,-0.2 0.886 52.3 147.6 56.2 47.3 -3.1 15.7 -0.1 29 43 A E < - 0 0 22 -5,-1.8 -1,-0.2 -6,-0.1 -2,-0.1 -0.770 50.4-109.7-117.6 156.4 -1.4 16.9 3.1 30 44 A D + 0 0 35 -2,-0.3 15,-2.8 14,-0.1 2,-0.3 -0.323 44.3 167.7 -68.6 159.7 -0.2 15.4 6.5 31 45 A Y E -BC 44 226A 2 195,-2.3 195,-2.7 13,-0.2 2,-0.4 -0.992 29.1-146.7-167.0 162.2 -2.1 16.6 9.6 32 46 A L E -BC 43 225A 0 11,-2.1 11,-3.1 -2,-0.3 2,-0.5 -0.971 9.8-160.4-142.2 128.0 -2.7 15.9 13.3 33 47 A L E -BC 42 224A 0 191,-3.4 191,-1.5 -2,-0.4 2,-0.4 -0.925 12.5-173.2-106.5 129.8 -6.0 16.4 15.0 34 48 A Y E -BC 41 223A 0 7,-2.9 7,-2.9 -2,-0.5 2,-0.6 -0.974 14.7-151.3-128.9 124.0 -5.8 16.8 18.9 35 49 A E E +BC 40 222A 14 187,-2.6 187,-1.2 -2,-0.4 2,-0.3 -0.910 25.3 166.3 -97.5 122.2 -8.8 17.0 21.2 36 50 A C E > -BC 39 221A 17 3,-2.6 3,-1.0 -2,-0.6 185,-0.1 -0.933 65.8 -27.2-142.3 103.8 -7.9 19.0 24.4 37 51 A D T 3 S- 0 0 131 183,-0.6 3,-0.1 -2,-0.3 184,-0.1 0.923 125.9 -40.5 57.1 59.1 -10.7 20.2 26.8 38 52 A G T 3 S+ 0 0 40 1,-0.2 2,-0.5 92,-0.1 93,-0.4 0.445 117.7 108.4 69.8 -1.6 -13.7 20.5 24.4 39 53 A Q E < -B 36 0A 55 -3,-1.0 -3,-2.6 91,-0.1 2,-0.8 -0.945 54.6-158.6-105.0 126.5 -11.5 22.0 21.6 40 54 A W E -BD 35 129A 15 89,-3.1 89,-2.2 -2,-0.5 2,-0.7 -0.899 14.7-162.3-100.8 105.2 -10.7 19.8 18.5 41 55 A V E -BD 34 128A 6 -7,-2.9 -7,-2.9 -2,-0.8 2,-0.7 -0.796 5.8-162.5 -96.9 111.9 -7.6 21.3 17.1 42 56 A L E -BD 33 127A 1 85,-3.3 85,-2.0 -2,-0.7 2,-0.9 -0.848 1.0-164.5 -91.6 107.0 -6.7 20.3 13.5 43 57 A A E -BD 32 126A 0 -11,-3.1 -11,-2.1 -2,-0.7 2,-0.5 -0.870 18.5-164.5 -92.8 109.7 -3.1 21.1 12.7 44 58 A A E -BD 31 125A 1 81,-2.7 81,-1.9 -2,-0.9 80,-1.6 -0.817 42.3 -3.9-110.5 124.4 -3.2 20.9 8.8 45 59 A G E S- 0 0 0 -15,-2.8 79,-1.0 -2,-0.5 2,-0.7 0.297 78.1 -92.7 78.3 152.8 -0.1 20.6 6.6 46 60 A V E + D 0 123A 32 77,-0.2 3,-0.1 1,-0.2 -1,-0.1 -0.897 34.8 173.4-108.5 103.2 3.6 20.6 7.6 47 61 A Q E S- 0 0 42 75,-2.8 15,-0.4 -2,-0.7 2,-0.3 0.884 80.9 -12.7 -66.9 -45.2 5.3 24.0 7.5 48 62 A A E - D 0 122A 1 74,-1.2 74,-2.3 13,-0.2 2,-0.4 -0.984 67.3-146.5-158.0 154.8 8.4 22.4 9.0 49 63 A M E -ED 60 121A 14 11,-2.3 11,-2.4 -2,-0.3 2,-0.6 -0.978 2.3-154.9-133.2 126.9 9.2 19.1 10.7 50 64 A V E -ED 59 120A 0 70,-3.6 70,-2.2 -2,-0.4 2,-0.6 -0.916 13.5-169.8 -99.1 122.9 11.6 18.2 13.6 51 65 A E E -ED 58 119A 45 7,-3.7 7,-3.0 -2,-0.6 2,-0.6 -0.952 1.1-171.3-112.0 114.5 12.7 14.5 13.4 52 66 A L E +ED 57 118A 0 66,-2.5 65,-3.0 -2,-0.6 66,-1.8 -0.935 11.0 173.3-105.9 117.4 14.6 13.3 16.6 53 67 A D E > -ED 56 116A 5 3,-3.5 3,-0.8 -2,-0.6 -2,-0.0 -0.733 48.7-101.0-114.5 170.6 16.1 9.9 16.3 54 68 A S T 3 S+ 0 0 26 61,-2.1 16,-0.1 -2,-0.3 3,-0.1 0.773 122.8 26.9 -57.5 -31.4 18.4 8.0 18.6 55 69 A D T 3 S+ 0 0 49 1,-0.2 2,-0.3 60,-0.1 -1,-0.2 0.276 126.2 20.9-116.3 5.6 21.5 8.9 16.4 56 70 A E E < -E 53 0A 29 -3,-0.8 -3,-3.5 13,-0.1 2,-0.4 -0.974 53.9-139.7-173.0 152.0 20.4 12.2 14.7 57 71 A L E -EF 52 68A 9 11,-2.1 11,-2.0 -2,-0.3 2,-0.4 -0.992 25.0-173.4-122.8 128.3 18.2 15.3 14.7 58 72 A R E -EF 51 67A 29 -7,-3.0 -7,-3.7 -2,-0.4 2,-0.4 -0.961 14.0-163.6-125.7 145.3 16.7 16.6 11.4 59 73 A V E -EF 50 66A 35 7,-2.6 7,-2.9 -2,-0.4 2,-0.5 -0.994 12.7-166.7-121.4 129.4 14.7 19.7 10.6 60 74 A I E +EF 49 65A 43 -11,-2.4 -11,-2.3 -2,-0.4 2,-0.4 -0.974 15.8 160.0-126.4 117.3 12.9 19.7 7.2 61 75 A R E > - F 0 64A 70 3,-2.3 3,-2.0 -2,-0.5 -13,-0.2 -0.980 67.7 -15.8-140.3 123.1 11.4 22.8 5.8 62 76 A D T 3 S- 0 0 64 -15,-0.4 412,-0.1 -2,-0.4 3,-0.1 0.867 128.5 -46.4 58.8 46.9 10.4 23.5 2.1 63 77 A G T 3 S+ 0 0 33 1,-0.2 2,-0.4 410,-0.1 -1,-0.3 0.156 115.1 114.1 82.1 -17.5 12.4 20.5 0.7 64 78 A V E < -F 61 0A 86 -3,-2.0 -3,-2.3 544,-0.1 2,-0.5 -0.770 48.6-160.1 -96.8 132.8 15.6 21.3 2.7 65 79 A T E -F 60 0A 56 -2,-0.4 2,-0.5 -5,-0.2 -5,-0.2 -0.937 1.8-164.2-112.7 116.7 16.9 18.9 5.4 66 80 A R E -F 59 0A 138 -7,-2.9 -7,-2.6 -2,-0.5 2,-0.4 -0.912 13.2-162.3 -98.1 127.8 19.2 20.2 8.1 67 81 A R E +F 58 0A 154 -2,-0.5 2,-0.3 -9,-0.2 -9,-0.2 -0.913 11.4 176.0-113.8 143.6 20.9 17.3 9.9 68 82 A Q E -F 57 0A 45 -11,-2.0 -11,-2.1 -2,-0.4 2,-0.2 -0.967 27.6-126.3-143.9 145.4 22.7 17.6 13.2 69 83 A Q - 0 0 155 -2,-0.3 2,-0.3 -13,-0.2 -13,-0.1 -0.588 30.9-167.6 -84.7 161.0 24.4 15.3 15.7 70 84 A W + 0 0 44 -2,-0.2 2,-0.3 -15,-0.1 -2,-0.0 -0.984 13.2 175.9-150.8 150.0 23.2 15.5 19.4 71 85 A S + 0 0 97 -2,-0.3 2,-0.3 2,-0.1 6,-0.1 -0.871 49.5 43.2-144.4 169.5 24.4 14.2 22.7 72 86 A G S S- 0 0 58 -2,-0.3 -2,-0.0 985,-0.2 3,-0.0 -0.650 106.0 -2.4 88.2-150.2 23.1 14.6 26.3 73 87 A R >> - 0 0 113 -2,-0.3 4,-1.8 1,-0.1 3,-0.6 -0.639 58.5-136.0 -84.7 137.0 19.4 14.4 27.1 74 88 A P H 3> S+ 0 0 1 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.836 105.2 58.9 -60.0 -31.6 16.9 13.8 24.3 75 89 A G H 3> S+ 0 0 0 1,-0.2 4,-3.0 2,-0.2 5,-0.2 0.869 102.4 53.6 -68.0 -35.3 14.6 16.4 25.8 76 90 A A H <> S+ 0 0 45 -3,-0.6 4,-2.3 2,-0.2 5,-0.2 0.929 113.2 43.0 -56.9 -49.1 17.3 19.1 25.5 77 91 A A H X S+ 0 0 12 -4,-1.8 4,-2.0 2,-0.2 -2,-0.2 0.965 118.0 43.5 -64.4 -50.2 17.8 18.3 21.8 78 92 A L H X S+ 0 0 1 -4,-2.5 4,-2.7 2,-0.2 5,-0.2 0.935 113.3 54.7 -55.2 -50.6 14.1 18.1 21.1 79 93 A G H X S+ 0 0 8 -4,-3.0 4,-2.8 -5,-0.2 5,-0.2 0.924 105.9 49.8 -53.4 -50.5 13.4 21.3 23.2 80 94 A E H X S+ 0 0 99 -4,-2.3 4,-1.9 1,-0.2 -1,-0.2 0.941 114.1 45.7 -54.2 -48.1 15.9 23.5 21.3 81 95 A A H X S+ 0 0 6 -4,-2.0 4,-1.9 -5,-0.2 -2,-0.2 0.914 114.5 45.8 -67.9 -40.9 14.4 22.4 18.0 82 96 A V H X S+ 0 0 0 -4,-2.7 4,-1.8 2,-0.2 -1,-0.2 0.897 106.5 59.4 -69.1 -39.5 10.8 22.9 19.0 83 97 A D H < S+ 0 0 78 -4,-2.8 4,-0.3 -5,-0.2 -2,-0.2 0.913 107.9 48.1 -50.3 -48.0 11.5 26.3 20.7 84 98 A R H >X S+ 0 0 113 -4,-1.9 3,-1.5 1,-0.2 4,-0.6 0.917 106.5 54.0 -58.7 -44.9 12.7 27.5 17.2 85 99 A L H >X S+ 0 0 3 -4,-1.9 4,-1.3 1,-0.2 3,-1.1 0.876 105.6 57.4 -53.6 -36.2 9.7 26.1 15.4 86 100 A L H 3< S+ 0 0 14 -4,-1.8 -1,-0.2 1,-0.3 -2,-0.2 0.422 88.8 70.6 -84.7 -4.5 7.6 28.2 18.0 87 101 A L H <4 S+ 0 0 143 -3,-1.5 -1,-0.3 -4,-0.3 -2,-0.2 0.758 108.0 39.7 -67.0 -28.7 9.3 31.5 17.0 88 102 A E H << S+ 0 0 126 -3,-1.1 2,-0.3 -4,-0.6 -2,-0.2 0.877 124.7 20.2 -92.0 -41.5 7.3 31.1 13.8 89 103 A T S < S- 0 0 22 -4,-1.3 -1,-0.1 1,-0.0 35,-0.0 -0.864 70.9-119.9-133.6 159.8 4.0 29.8 14.8 90 104 A D S S+ 0 0 98 -2,-0.3 290,-2.1 1,-0.1 2,-0.3 0.658 91.8 25.9 -78.2 -20.6 1.9 29.7 18.0 91 105 A Q E -G 379 0A 22 288,-0.2 2,-0.3 -6,-0.1 288,-0.2 -0.994 57.5-164.8-144.3 151.4 1.6 25.9 18.4 92 106 A A E -G 378 0A 0 286,-2.1 286,-2.8 -2,-0.3 2,-0.3 -0.927 13.3-165.3-132.4 156.6 3.5 22.7 17.3 93 107 A F E +GH 377 121A 0 28,-2.1 28,-3.0 -2,-0.3 2,-0.3 -0.916 24.7 105.6-143.0 159.9 2.1 19.1 17.3 94 108 A G E -GH 376 120A 0 282,-1.7 282,-2.8 -2,-0.3 2,-0.3 -0.998 51.7 -76.2 163.2-159.5 3.5 15.6 17.1 95 109 A W E -GH 375 119A 8 24,-2.3 24,-2.4 -2,-0.3 2,-0.4 -0.961 20.2-147.6-140.9 156.1 4.2 12.4 18.9 96 110 A V E -GH 374 118A 2 278,-3.7 278,-2.4 -2,-0.3 22,-0.3 -0.980 23.5-129.5-125.9 133.1 6.9 11.1 21.2 97 111 A A > - 0 0 0 20,-2.6 3,-1.9 -2,-0.4 4,-0.3 -0.360 20.8-117.0 -83.9 156.4 8.0 7.5 21.2 98 112 A F G > S+ 0 0 0 271,-2.5 3,-2.1 273,-0.3 -1,-0.1 0.882 115.6 67.5 -47.3 -43.0 8.2 5.2 24.3 99 113 A E G > S+ 0 0 3 1,-0.3 3,-1.3 17,-0.2 4,-0.4 0.646 81.4 72.3 -57.1 -22.3 11.9 5.1 23.4 100 114 A F G < S+ 0 0 3 -3,-1.9 3,-0.3 17,-0.3 4,-0.3 0.748 95.0 57.0 -63.1 -22.4 12.3 8.8 24.3 101 115 A G G < S+ 0 0 3 -3,-2.1 4,-0.3 -4,-0.3 -1,-0.2 0.413 86.3 75.7 -89.3 -0.0 12.0 7.7 27.9 102 116 A V S X >S+ 0 0 0 -3,-1.3 5,-2.3 1,-0.2 3,-1.0 0.750 78.0 71.1 -90.9 -21.7 14.8 5.2 28.1 103 117 A H G > 5S+ 0 0 12 -4,-0.4 3,-2.1 -3,-0.3 5,-0.2 0.930 93.5 57.9 -59.2 -46.7 17.9 7.6 28.2 104 118 A R G 3 5S+ 0 0 55 -4,-0.3 -1,-0.3 1,-0.3 -2,-0.2 0.754 106.9 48.3 -54.6 -27.7 17.0 8.7 31.7 105 119 A Y G < 5S- 0 0 28 -3,-1.0 -1,-0.3 -4,-0.3 -2,-0.2 0.223 122.6-102.2-103.6 18.8 17.2 5.0 33.0 106 120 A G T < 5S+ 0 0 0 -3,-2.1 3,-0.2 1,-0.1 -3,-0.2 0.768 88.7 116.6 75.4 31.1 20.6 4.4 31.3 107 121 A L > < + 0 0 2 -5,-2.3 3,-2.0 1,-0.2 4,-0.5 0.308 26.9 113.1-115.0 10.4 19.3 2.4 28.3 108 122 A Q G > S+ 0 0 48 -6,-0.3 3,-1.2 1,-0.3 -1,-0.2 0.806 72.4 65.5 -51.1 -33.1 20.3 4.6 25.3 109 123 A Q G 3 S+ 0 0 43 950,-0.3 -1,-0.3 1,-0.3 -2,-0.1 0.748 92.5 61.5 -67.8 -22.7 22.8 1.9 24.2 110 124 A R G < S+ 0 0 77 -3,-2.0 -1,-0.3 2,-0.1 2,-0.2 0.690 80.8 99.6 -75.4 -19.9 20.0 -0.6 23.5 111 125 A L S < S- 0 0 25 -3,-1.2 3,-0.1 -4,-0.5 4,-0.0 -0.519 72.7-128.8 -71.9 138.8 18.4 1.5 20.8 112 126 A A > - 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