==== 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 15-MAR-06 2GD0 . COMPND 2 MOLECULE: PROBABLE ALPHA-METHYLACYL-COA RACEMASE MCR; . SOURCE 2 ORGANISM_SCIENTIFIC: MYCOBACTERIUM TUBERCULOSIS; . AUTHOR P.BHAUMIK,R.K.WIERENGA . 1416 8 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 50212.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 990 69.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 108 7.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 72 5.1 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 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 0.3 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 . 116 8.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 208 14.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 369 26.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 48 3.4 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 7 3 8 12 0 1 9 3 3 0 0 0 0 4 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 4 8 4 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 PARALLEL BRIDGES PER LADDER . 0 4 4 4 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 ANTIPARALLEL BRIDGES PER LADDER . 4 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 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 2 A A 0 0 78 0, 0.0 28,-0.1 0, 0.0 27,-0.1 0.000 360.0 360.0 360.0 -22.2 30.4 -25.2 -25.3 2 3 A G > - 0 0 3 24,-0.2 3,-1.5 25,-0.1 331,-0.2 -0.066 360.0 -87.2 -75.4-177.5 31.3 -28.6 -23.7 3 4 A P T 3 S+ 0 0 3 0, 0.0 26,-0.2 0, 0.0 -1,-0.1 0.650 123.0 59.1 -67.8 -16.2 29.3 -31.8 -23.7 4 5 A L T > S+ 0 0 0 24,-2.9 3,-2.6 21,-0.2 27,-0.3 0.378 70.9 136.8 -99.3 2.5 27.3 -30.9 -20.6 5 6 A S T < + 0 0 74 -3,-1.5 25,-0.2 23,-0.5 3,-0.1 -0.241 69.9 30.6 -42.5 124.7 25.9 -27.7 -22.1 6 7 A G T 3 S+ 0 0 58 23,-0.6 2,-0.4 1,-0.3 -1,-0.3 0.193 87.8 125.1 102.6 -16.2 22.2 -27.6 -21.1 7 8 A L < - 0 0 0 -3,-2.6 24,-3.5 22,-0.1 2,-0.5 -0.659 50.8-146.1 -82.7 131.0 22.6 -29.4 -17.8 8 9 A R E -a 31 0A 70 -2,-0.4 65,-2.6 22,-0.2 66,-2.0 -0.848 18.8-178.2-103.5 122.0 21.3 -27.6 -14.8 9 10 A V E -ab 32 74A 0 22,-2.8 24,-3.5 -2,-0.5 2,-0.6 -0.972 17.1-159.4-126.3 125.2 23.0 -28.0 -11.4 10 11 A V E -ab 33 75A 0 64,-2.9 66,-3.0 -2,-0.4 2,-0.6 -0.910 15.0-166.4 -99.1 121.0 22.2 -26.5 -8.0 11 12 A E E -ab 34 76A 1 22,-3.0 24,-2.5 -2,-0.6 2,-0.8 -0.929 13.6-148.4-109.3 117.1 25.3 -26.5 -5.7 12 13 A L E -a 35 0A 3 64,-3.0 66,-0.4 -2,-0.6 24,-0.2 -0.792 42.3-103.2 -85.3 113.2 24.8 -25.9 -2.0 13 14 A A + 0 0 12 22,-2.4 2,-0.2 -2,-0.8 -1,-0.1 -0.018 63.8 139.6 -45.3 120.5 28.0 -24.1 -1.0 14 15 A G - 0 0 23 2,-0.1 2,-0.4 63,-0.1 -1,-0.1 -0.559 45.3 -88.0-138.9-151.7 30.5 -26.4 0.8 15 16 A I S > S- 0 0 143 63,-0.2 3,-0.6 -2,-0.2 5,-0.0 -0.989 73.7 -16.0-137.7 136.1 34.2 -27.2 1.0 16 17 A G T 3> S+ 0 0 11 -2,-0.4 4,-1.4 1,-0.2 5,-0.2 -0.619 122.8 24.1 83.3-114.6 36.5 -29.5 -0.9 17 18 A P H 3> S+ 0 0 9 0, 0.0 4,-2.6 0, 0.0 -1,-0.2 0.874 119.5 54.5 -64.3 -39.3 35.0 -32.3 -2.9 18 19 A G H <> S+ 0 0 7 -3,-0.6 4,-2.1 1,-0.2 5,-0.2 0.925 110.9 43.1 -60.6 -52.1 31.6 -30.7 -3.5 19 20 A P H > S+ 0 0 8 0, 0.0 4,-1.7 0, 0.0 -1,-0.2 0.755 113.5 54.6 -61.9 -26.7 32.8 -27.4 -5.1 20 21 A H H X S+ 0 0 0 -4,-1.4 4,-1.9 2,-0.2 -2,-0.2 0.912 108.7 47.6 -74.2 -44.4 35.4 -29.4 -7.1 21 22 A A H X S+ 0 0 0 -4,-2.6 4,-2.1 1,-0.2 5,-0.2 0.929 112.7 48.7 -55.8 -49.1 32.6 -31.6 -8.6 22 23 A A H X S+ 0 0 0 -4,-2.1 4,-2.5 1,-0.2 -1,-0.2 0.889 108.6 55.3 -62.9 -38.2 30.5 -28.6 -9.4 23 24 A M H X S+ 0 0 0 -4,-1.7 4,-3.1 2,-0.2 -1,-0.2 0.907 107.4 48.3 -58.0 -44.1 33.5 -26.9 -11.0 24 25 A I H X S+ 0 0 1 -4,-1.9 4,-2.0 2,-0.2 -2,-0.2 0.933 109.8 51.8 -71.8 -39.7 34.1 -29.8 -13.4 25 26 A L H <>S+ 0 0 1 -4,-2.1 5,-2.4 1,-0.2 3,-0.3 0.944 114.1 43.7 -56.3 -47.8 30.5 -29.9 -14.4 26 27 A G H ><5S+ 0 0 2 -4,-2.5 3,-2.0 1,-0.2 -2,-0.2 0.898 108.5 59.3 -63.8 -43.2 30.6 -26.2 -15.2 27 28 A D H 3<5S+ 0 0 4 -4,-3.1 308,-0.4 1,-0.3 -1,-0.2 0.860 105.1 49.8 -45.8 -45.4 34.0 -26.7 -16.9 28 29 A L T 3<5S- 0 0 0 -4,-2.0 -24,-2.9 -3,-0.3 -23,-0.5 0.175 134.5 -86.1 -87.7 11.3 32.3 -29.1 -19.4 29 30 A G T < 5S+ 0 0 18 -3,-2.0 -23,-0.6 1,-0.3 -3,-0.2 0.411 76.1 147.6 104.9 -1.8 29.5 -26.6 -20.1 30 31 A A < - 0 0 4 -5,-2.4 2,-0.8 -25,-0.2 -1,-0.3 -0.254 52.8-119.8 -62.3 154.3 26.9 -27.2 -17.4 31 32 A D E -a 8 0A 47 -24,-3.5 -22,-2.8 -27,-0.3 2,-0.5 -0.874 41.0-173.3 -94.5 98.7 24.7 -24.3 -16.0 32 33 A V E -a 9 0A 2 -2,-0.8 18,-1.5 16,-0.3 2,-0.5 -0.867 14.0-167.6-108.5 126.6 25.8 -24.4 -12.4 33 34 A V E -ac 10 50A 0 -24,-3.5 -22,-3.0 -2,-0.5 2,-0.6 -0.957 8.0-158.6-118.2 116.1 24.1 -22.2 -9.7 34 35 A R E -ac 11 51A 22 16,-3.0 18,-2.7 -2,-0.5 2,-0.6 -0.878 2.0-156.5-100.7 120.4 25.8 -22.0 -6.4 35 36 A I E +ac 12 52A 3 -24,-2.5 -22,-2.4 -2,-0.6 18,-0.2 -0.854 20.5 174.3 -97.7 121.9 23.7 -21.0 -3.3 36 37 A D E - c 0 53A 48 16,-2.2 18,-2.4 -2,-0.6 -22,-0.0 -0.559 37.6 -83.1-114.0 174.9 25.7 -19.5 -0.5 37 38 A R 0 0 198 16,-0.2 18,-0.2 -2,-0.2 -1,-0.1 -0.566 360.0 360.0 -68.4 144.3 25.0 -17.9 2.9 38 39 A P 0 0 116 0, 0.0 -1,-0.1 0, 0.0 14,-0.0 -0.259 360.0 360.0 -56.5 360.0 24.2 -14.1 2.8 39 ! 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 40 45 A I 0 0 155 0, 0.0 302,-0.2 0, 0.0 301,-0.0 0.000 360.0 360.0 360.0 112.6 33.6 -11.3 -6.3 41 46 A S - 0 0 53 300,-0.5 301,-0.0 1,-0.1 0, 0.0 -0.304 360.0-154.8 -67.4 141.3 35.5 -14.4 -5.1 42 47 A R + 0 0 184 297,-0.1 2,-0.8 514,-0.0 -1,-0.1 0.107 66.5 109.6 -93.9 18.5 39.3 -14.7 -5.6 43 48 A D > - 0 0 63 1,-0.2 3,-2.4 3,-0.1 -2,-0.1 -0.833 56.0-161.3 -97.7 104.2 38.9 -18.5 -5.5 44 49 A A G > S+ 0 0 16 -2,-0.8 3,-1.5 1,-0.3 -1,-0.2 0.806 86.8 71.5 -60.4 -23.3 39.6 -19.9 -9.0 45 50 A M G 3 S+ 0 0 8 1,-0.3 -1,-0.3 504,-0.1 504,-0.1 0.813 86.6 66.5 -61.5 -25.9 37.8 -23.1 -8.1 46 51 A L G < S+ 0 0 14 -3,-2.4 3,-0.4 3,-0.0 -1,-0.3 0.121 76.7 130.4 -84.5 28.4 34.6 -21.1 -8.2 47 52 A R < + 0 0 1 -3,-1.5 -21,-0.1 1,-0.2 -20,-0.1 -0.325 59.0 29.5 -69.6 159.8 35.0 -20.6 -11.9 48 53 A N S S+ 0 0 5 290,-2.4 -16,-0.3 1,-0.2 2,-0.3 0.888 97.5 112.6 57.8 48.9 32.1 -21.4 -14.2 49 54 A R - 0 0 26 -3,-0.4 2,-0.4 290,-0.2 -16,-0.2 -0.872 62.6-135.2-132.5 167.9 29.3 -20.5 -11.8 50 55 A R E -c 33 0A 58 -18,-1.5 -16,-3.0 -2,-0.3 2,-0.5 -0.992 30.2-149.0-113.3 129.6 26.5 -18.2 -11.0 51 56 A I E +c 34 0A 24 -2,-0.4 293,-3.0 291,-0.4 2,-0.3 -0.884 23.5 167.0-100.3 125.3 26.6 -17.3 -7.3 52 57 A V E -c 35 0A 0 -18,-2.7 -16,-2.2 -2,-0.5 2,-0.3 -0.856 22.1-137.5-125.8 165.2 23.3 -16.5 -5.6 53 58 A T E +c 36 0A 55 291,-0.4 2,-0.3 -2,-0.3 293,-0.2 -0.927 24.9 159.5-129.5 148.8 22.6 -16.2 -1.9 54 59 A A - 0 0 12 -18,-2.4 2,-0.9 -2,-0.3 -2,-0.0 -0.923 40.1-124.4-163.6 143.3 19.9 -17.4 0.5 55 60 A D > - 0 0 81 -2,-0.3 3,-1.5 -18,-0.2 6,-0.5 -0.815 24.9-168.2 -86.6 104.5 19.3 -18.1 4.2 56 61 A L T 3 S+ 0 0 22 -2,-0.9 -1,-0.1 1,-0.3 -19,-0.0 0.541 83.2 62.5 -77.6 -5.6 18.1 -21.7 4.0 57 62 A K T 3 S+ 0 0 178 4,-0.0 2,-0.3 5,-0.0 -1,-0.3 0.529 92.3 82.1 -90.3 -9.9 17.0 -21.5 7.6 58 63 A S S <> S- 0 0 39 -3,-1.5 4,-2.4 1,-0.1 5,-0.2 -0.706 86.6-124.7 -92.6 149.8 14.4 -18.8 6.7 59 64 A D H > S+ 0 0 146 -2,-0.3 4,-1.6 1,-0.2 -1,-0.1 0.819 112.1 49.6 -61.0 -34.3 11.0 -19.7 5.1 60 65 A Q H > S+ 0 0 140 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.887 110.3 48.4 -71.9 -43.1 11.8 -17.4 2.1 61 66 A G H > S+ 0 0 3 -6,-0.5 4,-3.0 2,-0.2 -5,-0.2 0.912 112.2 49.1 -64.8 -44.7 15.3 -18.9 1.4 62 67 A L H X S+ 0 0 39 -4,-2.4 4,-2.9 -7,-0.4 5,-0.2 0.929 111.8 49.7 -57.0 -46.8 13.9 -22.4 1.6 63 68 A E H X S+ 0 0 119 -4,-1.6 4,-1.3 -5,-0.2 -2,-0.2 0.867 113.1 45.9 -63.4 -39.2 11.1 -21.5 -0.7 64 69 A L H X S+ 0 0 22 -4,-2.2 4,-1.8 2,-0.2 -1,-0.2 0.919 112.6 50.6 -71.6 -43.5 13.5 -19.9 -3.2 65 70 A A H X S+ 0 0 0 -4,-3.0 4,-2.6 1,-0.2 3,-0.2 0.939 110.1 49.8 -55.8 -52.2 15.9 -22.8 -3.0 66 71 A L H X S+ 0 0 33 -4,-2.9 4,-2.5 1,-0.2 -1,-0.2 0.813 108.2 53.4 -57.1 -34.7 13.2 -25.4 -3.7 67 72 A K H X S+ 0 0 88 -4,-1.3 4,-0.5 -5,-0.2 -1,-0.2 0.872 111.0 46.6 -69.3 -38.2 12.0 -23.4 -6.7 68 73 A L H >< S+ 0 0 0 -4,-1.8 3,-1.0 -3,-0.2 -2,-0.2 0.922 113.7 48.4 -62.8 -48.4 15.5 -23.5 -8.1 69 74 A I H >< S+ 0 0 0 -4,-2.6 3,-1.9 1,-0.3 -2,-0.2 0.863 100.6 64.5 -65.9 -39.4 15.8 -27.2 -7.4 70 75 A A H 3< S+ 0 0 37 -4,-2.5 -1,-0.3 1,-0.3 -2,-0.2 0.765 109.4 41.6 -53.0 -27.1 12.4 -27.9 -9.0 71 76 A K T << S+ 0 0 96 -3,-1.0 -1,-0.3 -4,-0.5 -2,-0.2 0.331 101.0 92.1-105.2 6.5 13.9 -26.8 -12.2 72 77 A A < - 0 0 3 -3,-1.9 -63,-0.2 -4,-0.1 28,-0.1 -0.585 59.2-150.0-101.9 162.9 17.4 -28.4 -11.9 73 78 A D S S+ 0 0 26 -65,-2.6 29,-3.1 1,-0.3 2,-0.4 0.797 84.2 26.8 -92.6 -36.6 18.8 -31.8 -13.1 74 79 A V E -bd 9 102A 0 -66,-2.0 -64,-2.9 27,-0.2 2,-0.4 -0.976 58.9-162.1-132.7 139.2 21.4 -32.2 -10.3 75 80 A L E -bd 10 103A 0 27,-2.7 29,-3.3 -2,-0.4 2,-0.5 -0.994 10.9-160.8-117.7 127.6 21.7 -31.1 -6.7 76 81 A I E +bd 11 104A 2 -66,-3.0 -64,-3.0 -2,-0.4 2,-0.4 -0.931 16.5 167.6-105.8 124.4 25.1 -31.2 -5.0 77 82 A E E + d 0 105A 0 27,-2.5 29,-2.9 -2,-0.5 -64,-0.1 -0.999 16.9 179.4-133.6 143.4 25.3 -31.1 -1.2 78 83 A G + 0 0 36 -66,-0.4 -63,-0.2 -2,-0.4 2,-0.1 0.004 41.6 115.3-130.8 30.0 28.3 -31.8 1.1 79 84 A Y S S- 0 0 67 1,-0.2 3,-0.1 -65,-0.1 5,-0.1 -0.402 78.2 -71.2 -88.8 170.6 27.1 -31.3 4.6 80 85 A R > - 0 0 104 1,-0.1 3,-1.7 -2,-0.1 4,-0.4 -0.261 67.8 -85.9 -50.9 146.9 26.8 -34.0 7.4 81 86 A P T 3 S+ 0 0 7 0, 0.0 -1,-0.1 0, 0.0 -3,-0.0 -0.339 117.6 29.6 -57.7 144.6 24.0 -36.4 6.7 82 87 A G T 3> S+ 0 0 21 -3,-0.1 4,-2.8 1,-0.0 5,-0.2 -0.020 91.9 99.6 94.9 -27.0 20.6 -35.1 8.2 83 88 A V H <> S+ 0 0 27 -3,-1.7 4,-1.1 1,-0.2 6,-0.2 0.935 86.1 42.3 -60.2 -49.3 21.6 -31.4 7.7 84 89 A T H >>S+ 0 0 0 -4,-0.4 5,-2.7 1,-0.2 6,-0.7 0.898 112.5 56.2 -65.0 -36.6 19.6 -31.0 4.4 85 90 A E H >45S+ 0 0 83 4,-0.3 3,-2.0 1,-0.2 5,-0.3 0.962 104.8 51.3 -55.9 -51.3 16.8 -33.0 6.0 86 91 A R H 3<5S+ 0 0 161 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.722 109.3 52.1 -62.0 -22.8 16.6 -30.5 8.9 87 92 A L H 3<5S- 0 0 27 -4,-1.1 -1,-0.3 -3,-0.5 -2,-0.2 0.564 117.1-111.1 -84.7 -13.3 16.4 -27.6 6.5 88 93 A G T <<5S+ 0 0 20 -3,-2.0 -3,-0.2 -4,-0.7 -2,-0.1 0.739 96.7 101.4 81.6 25.8 13.5 -29.1 4.4 89 94 A L < + 0 0 0 -5,-2.7 -4,-0.3 -6,-0.2 -5,-0.1 0.168 47.4 128.6-124.5 13.9 15.8 -29.7 1.4 90 95 A G S >> S- 0 0 4 -6,-0.7 4,-2.3 -5,-0.3 3,-0.9 -0.157 78.2 -93.2 -63.5 166.3 16.4 -33.5 2.0 91 96 A P H 3> S+ 0 0 28 0, 0.0 4,-1.9 0, 0.0 5,-0.1 0.822 124.5 53.6 -54.2 -37.4 15.8 -36.0 -0.9 92 97 A E H 3> S+ 0 0 163 2,-0.2 4,-0.9 1,-0.2 -7,-0.0 0.798 111.1 45.0 -71.8 -31.1 12.2 -36.7 0.1 93 98 A E H <> S+ 0 0 74 -3,-0.9 4,-0.5 2,-0.2 -1,-0.2 0.850 113.7 49.9 -75.3 -38.9 11.2 -33.0 0.1 94 99 A C H >X S+ 0 0 1 -4,-2.3 4,-1.6 1,-0.2 3,-0.8 0.826 103.6 61.0 -67.3 -32.6 13.0 -32.5 -3.2 95 100 A A H 3< S+ 0 0 50 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.2 0.888 96.2 60.3 -58.7 -42.4 11.2 -35.5 -4.6 96 101 A K H 3< S+ 0 0 157 -4,-0.9 -1,-0.2 1,-0.2 -2,-0.2 0.692 117.0 30.2 -62.6 -23.9 7.8 -33.8 -4.1 97 102 A V H << S+ 0 0 70 -3,-0.8 -1,-0.2 -4,-0.5 -2,-0.2 0.589 137.5 14.2-108.9 -16.7 8.8 -30.9 -6.4 98 103 A N >< + 0 0 21 -4,-1.6 3,-0.9 -5,-0.1 -1,-0.2 -0.614 49.6 173.9-164.3 92.4 11.2 -32.7 -8.8 99 104 A D T 3 S+ 0 0 86 1,-0.2 77,-2.7 -2,-0.2 -4,-0.1 0.352 81.0 69.9 -89.9 9.5 11.5 -36.5 -9.1 100 105 A R T 3 S+ 0 0 110 75,-0.3 2,-0.3 -28,-0.1 -1,-0.2 0.400 77.9 119.8 -91.4 0.6 13.8 -36.1 -12.1 101 106 A L < - 0 0 10 -3,-0.9 2,-0.8 75,-0.2 76,-0.8 -0.460 59.7-145.5 -78.4 130.8 16.5 -34.8 -9.8 102 107 A I E -de 74 177A 0 -29,-3.1 -27,-2.7 -2,-0.3 2,-0.9 -0.861 19.6-157.8 -88.9 109.5 19.8 -36.4 -9.3 103 108 A Y E -de 75 178A 6 74,-2.1 76,-2.6 -2,-0.8 2,-0.7 -0.798 8.0-164.5 -95.5 103.2 20.5 -35.7 -5.6 104 109 A A E -de 76 179A 0 -29,-3.3 -27,-2.5 -2,-0.9 2,-0.7 -0.791 5.0-168.0-103.0 110.2 24.2 -36.0 -5.1 105 110 A R E -de 77 180A 9 74,-3.0 76,-2.5 -2,-0.7 2,-0.7 -0.862 3.4-163.2-103.5 111.2 25.4 -36.3 -1.5 106 111 A M E + e 0 181A 3 -29,-2.9 2,-0.3 -2,-0.7 76,-0.2 -0.821 25.6 146.3 -97.3 105.4 29.1 -35.8 -1.0 107 112 A T E - e 0 182A 13 74,-2.4 76,-2.5 -2,-0.7 77,-0.1 -0.858 48.7-133.3-129.3 169.0 30.5 -37.1 2.4 108 113 A G S S+ 0 0 4 74,-0.3 76,-2.8 -2,-0.3 77,-0.3 0.911 107.3 24.9 -79.7 -52.5 33.7 -38.6 3.8 109 114 A W S S- 0 0 6 1,-0.2 3,-0.2 9,-0.2 6,-0.2 0.606 110.0-117.7 -96.0 -11.9 32.1 -41.4 5.8 110 115 A G - 0 0 0 71,-0.2 -1,-0.2 1,-0.1 -2,-0.1 -0.336 37.3 -62.3 96.7 179.8 28.8 -41.9 4.0 111 116 A Q S S+ 0 0 35 -2,-0.1 2,-0.2 -4,-0.1 -1,-0.1 0.731 113.3 17.2 -77.5 -24.9 25.1 -41.5 4.8 112 117 A T S S+ 0 0 96 -3,-0.2 3,-0.2 555,-0.0 555,-0.0 -0.789 78.5 83.7-139.2-180.0 24.9 -44.2 7.5 113 118 A G S > S- 0 0 21 -2,-0.2 3,-1.9 1,-0.1 4,-0.3 -0.173 86.3 -63.6 103.5 161.5 27.3 -46.2 9.8 114 119 A P T 3 S+ 0 0 51 0, 0.0 3,-0.3 0, 0.0 -1,-0.1 0.766 133.7 39.6 -50.3 -34.4 29.0 -45.6 13.2 115 120 A R T > S+ 0 0 32 1,-0.2 3,-2.3 -6,-0.2 -6,-0.2 0.414 81.6 106.0 -98.7 2.2 31.1 -42.7 11.9 116 121 A S T < S+ 0 0 20 -3,-1.9 -1,-0.2 1,-0.3 -7,-0.2 0.721 85.3 43.1 -60.7 -23.9 28.5 -41.0 9.7 117 122 A Q T 3 S+ 0 0 95 -3,-0.3 2,-0.4 -4,-0.3 -1,-0.3 0.319 92.6 109.5 -99.4 7.3 28.0 -38.1 12.1 118 123 A Q < - 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