==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=14-DEC-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LYASE 16-DEC-11 3V5F . COMPND 2 MOLECULE: MANDELATE RACEMASE/MUCONATE LACTONIZING PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: PAENIBACILLUS SP.; . AUTHOR A.A.FEDOROV,E.V.FEDOROV,F.GRONINGER-POE,J.A.GERLT,S.C.ALMO . 386 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16244.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 282 73.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 35 9.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 50 13.0 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 . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 0.8 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 . 33 8.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 40 10.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 107 27.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 9 2.3 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 1 0 1 1 0 0 3 0 0 1 1 0 1 1 0 1 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 3 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 0 PARALLEL BRIDGES PER LADDER . 2 2 2 2 0 1 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 2 1 0 1 0 0 0 1 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 S 0 0 75 0, 0.0 2,-0.4 0, 0.0 83,-0.1 0.000 360.0 360.0 360.0 16.9 -10.3 -5.5 -8.4 2 3 A L - 0 0 21 82,-0.4 2,-1.0 112,-0.1 112,-0.2 -0.643 360.0-124.7 -80.6 133.9 -11.6 -2.1 -7.2 3 4 A N + 0 0 62 110,-1.5 3,-0.1 -2,-0.4 -1,-0.1 -0.686 46.3 153.3 -79.1 102.8 -14.0 -2.2 -4.2 4 5 A I > + 0 0 35 -2,-1.0 3,-0.9 1,-0.1 -1,-0.1 0.057 37.2 104.4-120.2 23.6 -17.2 -0.4 -5.5 5 6 A T T 3 S+ 0 0 128 1,-0.2 -1,-0.1 79,-0.0 -2,-0.0 0.825 79.1 55.4 -74.0 -29.4 -19.8 -2.0 -3.3 6 7 A G T 3 S+ 0 0 38 -3,-0.1 2,-0.8 2,-0.1 -1,-0.2 0.183 77.4 113.3 -91.5 16.7 -20.1 1.1 -1.1 7 8 A I < - 0 0 7 -3,-0.9 -3,-0.0 2,-0.0 70,-0.0 -0.799 61.4-141.3 -93.7 105.5 -20.8 3.5 -3.9 8 9 A Q - 0 0 103 -2,-0.8 69,-0.4 1,-0.1 3,-0.4 -0.161 11.4-129.8 -60.9 157.8 -24.4 4.9 -3.5 9 10 A S S S+ 0 0 74 1,-0.2 -1,-0.1 67,-0.1 69,-0.1 0.589 105.3 64.6 -87.0 -12.0 -26.5 5.4 -6.7 10 11 A D S S+ 0 0 99 65,-0.1 2,-0.4 2,-0.1 -1,-0.2 0.660 77.2 108.6 -80.5 -16.3 -27.4 8.9 -5.6 11 12 A W + 0 0 20 -3,-0.4 65,-2.4 40,-0.1 66,-0.4 -0.466 50.0 175.8 -68.2 118.1 -23.7 9.9 -5.9 12 13 A K B -A 75 0A 86 -2,-0.4 40,-1.4 63,-0.3 2,-0.7 -0.886 39.8-102.2-126.7 155.8 -23.2 12.2 -9.0 13 14 A V E +B 51 0B 2 61,-2.7 60,-2.9 -2,-0.3 38,-0.2 -0.665 41.9 170.4 -72.5 112.0 -20.5 14.2 -10.7 14 15 A E E + 0 0 70 36,-3.2 372,-1.1 -2,-0.7 2,-0.3 0.844 58.9 6.1 -92.5 -39.5 -21.2 17.8 -9.7 15 16 A K E -BC 50 385B 59 35,-1.5 35,-3.2 370,-0.2 2,-0.4 -1.000 50.3-163.3-152.2 141.4 -18.1 19.6 -10.9 16 17 A I E +BC 49 384B 0 368,-2.7 368,-2.3 -2,-0.3 2,-0.3 -0.992 16.8 179.7-127.7 123.6 -14.9 19.1 -12.9 17 18 A E E -BC 48 383B 14 31,-2.4 31,-2.7 -2,-0.4 2,-0.4 -0.924 7.0-161.3-125.4 151.7 -12.1 21.5 -12.7 18 19 A F E +BC 47 382B 31 364,-2.7 364,-1.8 -2,-0.3 2,-0.3 -0.990 15.7 157.1-139.5 136.2 -8.7 21.5 -14.4 19 20 A A E -B 46 0B 2 27,-2.5 27,-2.9 -2,-0.4 2,-0.5 -0.983 35.0-124.9-153.4 147.8 -5.3 23.2 -13.9 20 21 A K E -B 45 0B 98 -2,-0.3 2,-0.3 25,-0.2 25,-0.3 -0.847 26.2-155.5 -90.9 126.8 -1.7 22.6 -14.9 21 22 A L E -B 44 0B 0 23,-3.1 23,-2.5 -2,-0.5 2,-0.3 -0.740 11.8-160.7 -97.4 152.7 0.7 22.5 -11.9 22 23 A T E +B 43 0B 68 320,-0.3 320,-2.4 -2,-0.3 2,-0.3 -0.906 24.5 125.7-134.9 160.9 4.4 23.3 -12.4 23 24 A G E -BD 42 341B 19 19,-2.3 19,-2.4 -2,-0.3 2,-0.3 -0.902 42.9 -90.9-179.5-153.8 7.7 22.8 -10.6 24 25 A E E -BD 41 340B 98 316,-1.9 316,-2.9 -2,-0.3 17,-0.2 -0.978 22.2-116.8-146.7 153.0 11.2 21.5 -11.1 25 26 A R E - D 0 339B 13 15,-2.9 314,-0.3 -2,-0.3 3,-0.1 -0.530 39.8-109.2 -85.7 161.7 13.3 18.3 -10.7 26 27 A A E S+ 0 0 50 312,-2.8 2,-0.4 -2,-0.2 313,-0.1 0.836 101.0 20.9 -63.4 -31.8 16.2 18.5 -8.3 27 28 A R E S- 0 0 41 311,-0.3 -1,-0.2 12,-0.1 311,-0.1 -0.999 91.2-102.6-141.9 136.1 18.8 18.4 -11.0 28 29 A S E - 0 0 55 -2,-0.4 2,-0.5 -3,-0.1 12,-0.2 -0.326 36.8-133.8 -60.4 136.7 18.6 19.3 -14.6 29 30 A A E -B 39 0B 3 10,-2.6 10,-2.8 1,-0.1 9,-1.5 -0.820 20.6-156.7 -99.2 127.9 18.5 16.1 -16.8 30 31 A G - 0 0 8 -2,-0.5 8,-0.9 7,-0.2 107,-0.2 0.262 36.0 -46.2 -82.9-151.5 20.7 16.0 -19.9 31 32 A A B -F 136 0C 6 105,-0.7 105,-2.9 6,-0.2 5,-0.2 -0.197 45.9-154.9 -75.4 165.5 20.5 14.0 -23.1 32 33 A N - 0 0 7 3,-2.0 144,-0.1 103,-0.2 139,-0.1 -0.695 44.8 -73.0-125.5-169.7 19.7 10.4 -23.6 33 34 A G S S+ 0 0 3 137,-0.4 143,-0.2 -2,-0.2 175,-0.1 0.803 126.9 22.1 -55.9 -33.7 20.6 7.9 -26.4 34 35 A R S S+ 0 0 148 141,-0.1 2,-0.2 2,-0.1 -1,-0.2 0.746 121.4 29.5-109.2 -30.7 18.1 9.3 -28.9 35 36 A I S S- 0 0 57 1,-0.2 -3,-2.0 0, 0.0 3,-0.1 -0.741 74.6 -93.6-131.6 179.1 17.3 13.0 -28.0 36 37 A G - 0 0 37 -5,-0.2 -1,-0.2 -2,-0.2 -4,-0.1 0.135 66.8 -30.8 -85.0-165.0 18.7 16.1 -26.4 37 38 A V - 0 0 110 -6,-0.1 -7,-0.2 1,-0.1 -6,-0.2 -0.140 42.5-160.0 -53.6 132.4 18.6 17.8 -23.0 38 39 A H - 0 0 62 -9,-1.5 -8,-0.2 -8,-0.9 -1,-0.1 0.794 33.1-155.0 -87.1 -32.1 15.5 17.1 -21.0 39 40 A G E -B 29 0B 18 -10,-2.8 -10,-2.6 1,-0.1 -1,-0.2 -0.429 23.2 -80.9 96.7-165.9 15.9 20.0 -18.6 40 41 A K E S+ 0 0 76 -12,-0.2 -15,-2.9 -2,-0.1 -1,-0.1 0.626 87.6 100.5-118.1 -26.4 14.8 20.9 -15.1 41 42 A S E -B 24 0B 97 -17,-0.2 2,-0.3 -3,-0.1 -17,-0.3 -0.401 47.5-177.1 -68.9 142.3 11.2 22.1 -15.6 42 43 A C E -B 23 0B 14 -19,-2.4 -19,-2.3 298,-0.1 2,-0.3 -0.980 6.4-171.9-138.8 147.0 8.3 19.8 -14.8 43 44 A T E -B 22 0B 65 270,-0.4 2,-0.4 -2,-0.3 272,-0.3 -0.960 9.7-162.0-135.3 160.9 4.5 20.0 -15.0 44 45 A V E -B 21 0B 0 -23,-2.5 -23,-3.1 -2,-0.3 2,-0.5 -0.940 16.9-141.8-140.4 116.4 1.5 17.9 -13.9 45 46 A D E -B 20 0B 56 -2,-0.4 15,-1.9 -25,-0.3 2,-0.4 -0.691 30.9-169.9 -73.9 126.2 -1.9 18.4 -15.5 46 47 A I E -BE 19 59B 2 -27,-2.9 -27,-2.5 -2,-0.5 2,-0.4 -0.914 18.2-161.4-126.9 141.6 -4.4 18.0 -12.7 47 48 A A E -BE 18 58B 0 11,-2.7 11,-1.7 -2,-0.4 2,-0.5 -0.950 6.6-155.7-116.8 145.9 -8.2 17.6 -12.4 48 49 A R E -BE 17 57B 17 -31,-2.7 -31,-2.4 -2,-0.4 2,-0.4 -0.985 16.6-164.9-117.6 117.0 -10.3 18.2 -9.3 49 50 A I E -BE 16 56B 0 7,-2.7 7,-2.1 -2,-0.5 2,-0.6 -0.835 8.5-152.0-107.9 141.1 -13.6 16.4 -9.4 50 51 A T E +BE 15 55B 18 -35,-3.2 -36,-3.2 -2,-0.4 -35,-1.5 -0.955 19.6 169.7-115.0 119.3 -16.5 17.0 -7.1 51 52 A I E > S-BE 13 54B 0 3,-2.7 3,-1.6 -2,-0.6 -38,-0.2 -0.996 71.2 -14.0-128.0 124.3 -18.9 14.1 -6.4 52 53 A D T 3 S- 0 0 56 -40,-1.4 -1,-0.1 -2,-0.4 3,-0.1 0.886 128.4 -52.2 51.8 45.5 -21.5 14.4 -3.7 53 54 A G T 3 S+ 0 0 63 1,-0.2 2,-0.3 -3,-0.0 -1,-0.3 0.585 119.5 100.5 72.4 10.9 -20.0 17.5 -2.2 54 55 A Q E < -E 51 0B 64 -3,-1.6 -3,-2.7 2,-0.0 2,-0.3 -0.960 61.3-136.4-128.2 149.1 -16.5 16.1 -1.8 55 56 A T E -E 50 0B 51 -2,-0.3 2,-0.3 -5,-0.2 -5,-0.2 -0.753 13.0-170.6-108.2 149.1 -13.5 16.6 -4.0 56 57 A G E -E 49 0B 0 -7,-2.1 -7,-2.7 -2,-0.3 2,-0.3 -0.977 10.2-155.6-128.2 148.5 -10.8 14.3 -5.4 57 58 A Y E +E 48 0B 12 -2,-0.3 2,-0.3 -9,-0.2 -9,-0.2 -0.923 26.5 126.6-119.0 151.8 -7.6 15.3 -7.2 58 59 A G E -E 47 0B 0 -11,-1.7 -11,-2.7 -2,-0.3 -2,-0.0 -0.970 57.6 -52.1-179.1 174.3 -5.4 13.5 -9.7 59 60 A S E -E 46 0B 1 -2,-0.3 37,-0.5 -13,-0.2 2,-0.3 -0.292 51.0-176.0 -52.5 139.7 -3.6 13.4 -13.0 60 61 A S + 0 0 0 -15,-1.9 2,-0.3 36,-0.1 33,-0.2 -0.966 6.4 171.4-146.4 126.0 -5.9 14.2 -15.9 61 62 A I + 0 0 25 31,-2.0 3,-0.1 -2,-0.3 33,-0.0 -0.942 59.7 24.4-132.6 157.0 -5.0 14.1 -19.6 62 63 A H S S+ 0 0 99 -2,-0.3 2,-0.5 1,-0.2 31,-0.2 0.787 84.2 137.0 65.7 28.3 -7.0 14.4 -22.9 63 64 A M - 0 0 17 -3,-0.1 -1,-0.2 29,-0.1 -3,-0.0 -0.926 30.8-175.2-112.4 128.9 -9.8 16.3 -21.2 64 65 A T > - 0 0 70 -2,-0.5 4,-2.3 -3,-0.1 5,-0.2 -0.789 39.9-111.8-112.4 161.5 -11.5 19.4 -22.7 65 66 A P H > S+ 0 0 51 0, 0.0 4,-2.2 0, 0.0 5,-0.1 0.909 120.6 53.3 -56.4 -40.7 -14.1 21.6 -21.1 66 67 A E H > S+ 0 0 156 1,-0.2 4,-1.3 2,-0.2 -3,-0.0 0.926 108.4 49.1 -59.9 -48.6 -16.6 20.3 -23.7 67 68 A W H > S+ 0 0 63 1,-0.2 4,-0.6 2,-0.2 3,-0.3 0.912 113.0 46.8 -55.0 -47.6 -15.8 16.6 -22.8 68 69 A A H >X S+ 0 0 0 -4,-2.3 4,-1.4 1,-0.2 3,-0.8 0.833 102.2 64.9 -69.5 -32.2 -16.2 17.4 -19.1 69 70 A E H 3< S+ 0 0 117 -4,-2.2 3,-0.4 1,-0.2 -1,-0.2 0.910 100.6 52.1 -54.0 -42.6 -19.5 19.2 -19.7 70 71 A D H 3< S+ 0 0 106 -4,-1.3 -1,-0.2 -3,-0.3 -2,-0.2 0.721 106.2 53.4 -70.4 -22.2 -21.1 16.0 -20.8 71 72 A V H X< S+ 0 0 2 -3,-0.8 3,-1.8 -4,-0.6 -58,-0.3 0.740 82.1 103.8 -86.4 -24.3 -20.0 14.1 -17.7 72 73 A I T 3< S+ 0 0 44 -4,-1.4 -58,-0.2 -3,-0.4 3,-0.1 -0.344 83.5 26.7 -58.7 135.8 -21.5 16.5 -15.2 73 74 A G T 3 S+ 0 0 43 -60,-2.9 -1,-0.2 1,-0.3 -59,-0.1 -0.018 91.1 127.4 101.1 -29.6 -24.8 15.0 -13.8 74 75 A R < - 0 0 82 -3,-1.8 -61,-2.7 -62,-0.1 -1,-0.3 -0.213 65.1-112.2 -62.2 147.2 -23.8 11.4 -14.3 75 76 A R B > -A 12 0A 111 -63,-0.2 3,-1.0 1,-0.1 4,-0.4 -0.632 21.6-129.3 -74.1 138.3 -23.9 8.9 -11.5 76 77 A L G >> S+ 0 0 0 -65,-2.4 3,-2.9 -2,-0.3 4,-0.7 0.949 107.2 60.8 -51.8 -51.0 -20.5 7.7 -10.4 77 78 A L G >4 S+ 0 0 52 -69,-0.4 3,-0.7 -66,-0.4 -1,-0.2 0.754 95.3 61.4 -50.2 -30.2 -21.7 4.1 -10.7 78 79 A D G <4 S+ 0 0 101 -3,-1.0 -1,-0.3 1,-0.2 -2,-0.2 0.607 93.0 64.6 -78.8 -7.4 -22.4 4.6 -14.4 79 80 A L G <4 S+ 0 0 0 -3,-2.9 8,-2.9 -4,-0.4 -1,-0.2 0.734 99.3 66.9 -80.7 -24.8 -18.8 5.4 -15.1 80 81 A F E << S-G 86 0D 8 -3,-0.7 2,-0.3 -4,-0.7 6,-0.2 -0.573 80.8-130.6 -88.2 156.1 -17.9 1.8 -14.0 81 82 A D E >> -G 85 0D 24 4,-2.1 3,-3.7 -2,-0.2 4,-0.7 -0.821 37.7 -99.1 -96.2 150.0 -18.8 -1.4 -15.7 82 83 A D T 34 S+ 0 0 148 -2,-0.3 -1,-0.1 1,-0.3 -2,-0.0 0.771 120.8 70.3 -25.8 -45.3 -20.4 -4.2 -13.7 83 84 A R T 34 S- 0 0 163 1,-0.1 -1,-0.3 2,-0.1 3,-0.1 0.602 118.1-110.6 -59.0 -11.4 -17.0 -5.8 -13.5 84 85 A G T <4 S+ 0 0 6 -3,-3.7 2,-0.5 1,-0.3 -82,-0.4 0.593 78.5 128.4 88.9 13.6 -16.0 -3.0 -11.1 85 86 A R E < -G 81 0D 53 -4,-0.7 -4,-2.1 -84,-0.1 -1,-0.3 -0.883 66.4-111.5-108.8 130.7 -13.6 -1.5 -13.7 86 87 A L E -G 80 0D 6 -2,-0.5 -6,-0.2 -6,-0.2 5,-0.1 -0.305 46.3-102.9 -55.8 135.2 -13.7 2.2 -14.8 87 88 A R >> - 0 0 113 -8,-2.9 3,-2.4 1,-0.1 4,-0.8 -0.334 24.2-116.9 -67.3 143.9 -14.9 2.4 -18.4 88 89 A E G >4 S+ 0 0 143 1,-0.3 3,-0.8 2,-0.2 4,-0.5 0.815 110.1 62.9 -43.6 -44.7 -12.4 3.0 -21.1 89 90 A A G 34 S+ 0 0 61 1,-0.2 -1,-0.3 2,-0.1 4,-0.1 0.666 110.7 37.9 -64.4 -14.4 -13.9 6.3 -22.1 90 91 A Y G <>>S+ 0 0 34 -3,-2.4 4,-2.7 -11,-0.2 5,-0.6 0.542 90.1 90.8-113.2 -10.5 -13.2 7.9 -18.7 91 92 A R H S+ 0 0 3 -37,-0.5 4,-2.5 -5,-0.5 5,-0.3 0.952 114.1 45.0 -71.5 -48.2 -7.0 9.3 -10.9 97 98 A P H > S+ 0 0 0 0, 0.0 4,-2.1 0, 0.0 -1,-0.2 0.899 117.1 48.9 -61.6 -32.1 -9.3 12.0 -9.6 98 99 A V H X S+ 0 0 2 -4,-2.5 4,-2.9 2,-0.2 -2,-0.2 0.926 110.9 47.2 -71.5 -45.9 -12.0 9.4 -9.1 99 100 A L H X S+ 0 0 6 -4,-2.7 4,-2.1 -5,-0.3 -1,-0.2 0.908 113.7 48.8 -62.2 -40.7 -9.8 6.9 -7.3 100 101 A D H X S+ 0 0 5 -4,-2.5 4,-2.2 -5,-0.2 -1,-0.2 0.930 111.3 50.7 -62.8 -42.9 -8.6 9.7 -5.0 101 102 A W H X S+ 0 0 0 -4,-2.1 4,-3.1 -5,-0.3 5,-0.2 0.941 108.7 51.3 -57.7 -49.9 -12.2 10.7 -4.4 102 103 A L H X S+ 0 0 1 -4,-2.9 4,-2.6 1,-0.3 -1,-0.2 0.877 111.1 47.6 -58.4 -42.2 -13.2 7.2 -3.5 103 104 A G H X>S+ 0 0 0 -4,-2.1 5,-1.8 2,-0.2 4,-1.2 0.859 112.3 50.0 -65.2 -37.3 -10.3 6.9 -1.0 104 105 A Q H <5S+ 0 0 60 -4,-2.2 -2,-0.2 258,-0.2 -1,-0.2 0.946 114.8 43.5 -66.4 -48.1 -11.3 10.3 0.5 105 106 A R H <5S+ 0 0 60 -4,-3.1 -2,-0.2 1,-0.2 -1,-0.2 0.903 121.8 38.6 -64.8 -43.2 -14.9 9.3 0.8 106 107 A Q H <5S- 0 0 54 -4,-2.6 -1,-0.2 -5,-0.2 -2,-0.2 0.582 105.9-126.3 -84.6 -10.3 -14.2 5.8 2.2 107 108 A G T <5 + 0 0 50 -4,-1.2 -3,-0.2 1,-0.2 -4,-0.1 0.863 69.3 118.2 69.2 36.4 -11.2 7.0 4.3 108 109 A K < - 0 0 76 -5,-1.8 255,-2.6 -6,-0.2 -1,-0.2 -0.955 69.6-107.9-133.2 149.3 -8.8 4.5 2.8 109 110 A P B >> -h 363 0E 6 0, 0.0 4,-1.2 0, 0.0 3,-1.0 -0.487 36.0-116.2 -68.4 149.2 -5.6 4.7 0.7 110 111 A V H 3> S+ 0 0 0 253,-2.7 4,-1.4 1,-0.2 3,-0.5 0.881 115.1 63.8 -53.0 -37.9 -6.1 3.6 -2.9 111 112 A Y H 34 S+ 0 0 7 252,-0.4 4,-0.5 1,-0.3 -1,-0.2 0.855 101.1 51.0 -59.9 -32.4 -3.8 0.7 -2.3 112 113 A D H <4 S+ 0 0 40 -3,-1.0 3,-0.3 1,-0.2 -1,-0.3 0.844 108.2 52.7 -68.2 -35.3 -6.3 -0.7 0.2 113 114 A L H < S+ 0 0 6 -4,-1.2 -110,-1.5 -3,-0.5 -2,-0.2 0.711 121.5 29.5 -73.2 -22.6 -9.1 -0.3 -2.3 114 115 A V S < S+ 0 0 0 -4,-1.4 -1,-0.2 -112,-0.2 -2,-0.2 0.282 89.0 147.9-120.3 8.4 -7.3 -2.3 -5.1 115 116 A S - 0 0 28 -4,-0.5 212,-0.2 -3,-0.3 2,-0.2 -0.011 31.9-150.8 -50.4 145.5 -5.3 -4.5 -2.8 116 117 A G > - 0 0 23 210,-2.3 3,-1.5 -5,-0.1 212,-0.1 -0.543 36.2 -84.4-109.4-179.2 -4.5 -8.1 -4.0 117 118 A A T 3 S+ 0 0 114 1,-0.3 210,-0.1 -2,-0.2 -2,-0.1 0.757 120.0 63.9 -56.3 -28.1 -3.8 -11.3 -2.2 118 119 A H T 3 S+ 0 0 77 208,-0.2 2,-0.5 1,-0.1 -1,-0.3 0.620 96.6 59.4 -82.0 -13.6 -0.2 -10.5 -1.6 119 120 A L S < S- 0 0 22 -3,-1.5 2,-0.3 207,-0.3 -1,-0.1 -0.968 75.5-151.0-117.1 118.7 -0.8 -7.5 0.6 120 121 A E > - 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