==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=28-AUG-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 10-DEC-10 3ASA . COMPND 2 MOLECULE: LL-DIAMINOPIMELATE AMINOTRANSFERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: CHLAMYDIA TRACHOMATIS; . AUTHOR N.WATANABE,M.N.JAMES . 388 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 18257.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 258 66.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 25 6.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 25 6.4 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.5 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 . 0 0.0 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 . 25 6.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 41 10.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 122 31.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 1.5 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 0 0 0 3 0 0 3 2 1 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 1 1 1 1 1 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 . 1 1 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 0 0 ANTIPARALLEL BRIDGES PER LADDER . 1 0 1 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 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 1 A M 0 0 238 0, 0.0 2,-0.2 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 129.1 12.7 -18.2 -30.7 2 2 A K - 0 0 193 1,-0.1 2,-0.0 0, 0.0 0, 0.0 -0.622 360.0 -94.6 -82.9 153.5 13.4 -20.1 -27.5 3 3 A R - 0 0 191 -2,-0.2 -1,-0.1 1,-0.1 5,-0.0 -0.307 43.5-102.4 -64.2 147.6 14.1 -18.2 -24.3 4 4 A N > - 0 0 84 1,-0.2 4,-1.2 2,-0.1 -1,-0.1 -0.631 26.0-158.6 -73.1 125.7 17.8 -17.6 -23.5 5 5 A P H > S+ 0 0 87 0, 0.0 4,-1.0 0, 0.0 -1,-0.2 0.911 92.3 62.7 -74.3 -41.8 18.9 -20.1 -20.8 6 6 A H H 4 S+ 0 0 71 1,-0.2 4,-0.2 2,-0.2 133,-0.2 0.783 107.7 52.4 -44.2 -27.1 21.9 -17.9 -19.7 7 7 A F H >4 S+ 0 0 97 1,-0.2 3,-2.2 2,-0.1 -1,-0.2 0.919 94.9 61.8 -79.1 -48.4 19.0 -15.7 -18.9 8 8 A V H 3< S+ 0 0 88 -4,-1.2 -2,-0.2 1,-0.3 -1,-0.2 0.659 92.9 68.5 -58.7 -17.1 16.7 -18.0 -16.8 9 9 A S T 3< S+ 0 0 60 -4,-1.0 -1,-0.3 -3,-0.1 -2,-0.1 0.753 83.7 98.4 -70.7 -25.7 19.5 -18.2 -14.1 10 10 A L < + 0 0 27 -3,-2.2 -3,-0.0 -4,-0.2 123,-0.0 -0.283 20.7 134.8 -66.2 144.3 19.0 -14.5 -13.3 11 11 A T + 0 0 122 -2,-0.0 -1,-0.2 0, 0.0 -2,-0.0 0.179 22.9 166.0-147.2 -20.9 16.9 -13.2 -10.4 12 12 A K - 0 0 86 2,-0.1 118,-0.0 117,-0.1 120,-0.0 -0.158 35.3-135.2 33.1-109.5 19.4 -10.6 -9.1 13 13 A N - 0 0 99 5,-0.0 -1,-0.1 0, 0.0 2,-0.1 0.078 25.1-107.6-153.5 -74.6 17.0 -8.6 -6.8 14 14 A Y > - 0 0 137 0, 0.0 4,-2.7 0, 0.0 5,-0.3 0.427 40.0-168.1 -94.5 135.5 17.4 -5.7 -7.2 15 15 A L H > S+ 0 0 21 1,-0.2 4,-1.7 2,-0.2 5,-0.1 0.888 87.3 35.3 -51.7 -48.5 19.2 -5.1 -3.9 16 16 A F H > S+ 0 0 46 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.808 115.1 54.8 -82.5 -32.0 19.0 -1.3 -4.1 17 17 A A H > S+ 0 0 53 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.940 112.0 44.7 -63.1 -49.2 15.6 -1.0 -5.8 18 18 A D H X S+ 0 0 55 -4,-2.7 4,-1.9 1,-0.2 -2,-0.2 0.903 113.0 50.5 -62.8 -44.6 14.0 -3.1 -3.0 19 19 A L H X S+ 0 0 6 -4,-1.7 4,-1.7 -5,-0.3 -1,-0.2 0.880 110.8 51.6 -59.5 -38.1 15.8 -1.1 -0.3 20 20 A Q H X S+ 0 0 56 -4,-2.0 4,-2.4 2,-0.2 -2,-0.2 0.933 108.1 48.1 -65.4 -49.2 14.6 2.1 -1.9 21 21 A K H X S+ 0 0 148 -4,-2.4 4,-2.9 1,-0.2 -1,-0.2 0.872 111.7 53.0 -61.3 -34.3 11.0 1.1 -2.1 22 22 A R H X S+ 0 0 90 -4,-1.9 4,-2.6 2,-0.2 -1,-0.2 0.844 107.4 50.1 -67.9 -36.6 11.3 0.1 1.6 23 23 A V H X S+ 0 0 2 -4,-1.7 4,-2.0 2,-0.2 -2,-0.2 0.892 112.4 48.0 -66.0 -40.8 12.7 3.5 2.5 24 24 A A H X S+ 0 0 56 -4,-2.4 4,-2.4 2,-0.2 -2,-0.2 0.942 110.9 51.6 -62.5 -47.8 9.8 5.1 0.7 25 25 A Q H X S+ 0 0 93 -4,-2.9 4,-2.1 1,-0.2 -2,-0.2 0.925 109.7 48.6 -51.1 -52.3 7.4 2.7 2.5 26 26 A F H X S+ 0 0 28 -4,-2.6 4,-0.8 1,-0.2 -1,-0.2 0.867 109.1 54.2 -58.8 -38.4 8.9 3.7 5.9 27 27 A R H < S+ 0 0 111 -4,-2.0 3,-0.3 2,-0.2 -1,-0.2 0.885 107.1 51.7 -64.8 -39.1 8.6 7.3 4.9 28 28 A L H < S+ 0 0 134 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.986 116.3 38.0 -54.6 -60.1 4.8 6.8 4.2 29 29 A E H < S+ 0 0 128 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.422 121.9 44.9 -79.4 -1.6 4.2 5.2 7.6 30 30 A N >< + 0 0 39 -4,-0.8 3,-1.3 -3,-0.3 -1,-0.3 -0.389 62.5 162.8-138.0 63.5 6.5 7.5 9.5 31 31 A P T 3 S+ 0 0 107 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.743 80.2 42.1 -57.6 -29.1 5.8 11.1 8.3 32 32 A Q T 3 S+ 0 0 174 1,-0.1 2,-1.2 2,-0.1 -5,-0.1 0.577 92.9 88.5 -97.3 -8.7 7.5 12.8 11.3 33 33 A H S < S- 0 0 83 -3,-1.3 2,-0.3 -7,-0.2 -3,-0.1 -0.765 75.4-149.7 -86.2 93.6 10.4 10.4 11.4 34 34 A T - 0 0 107 -2,-1.2 2,-0.5 1,-0.1 -2,-0.1 -0.526 9.9-145.9 -72.6 125.0 12.8 12.2 9.0 35 35 A V - 0 0 12 -2,-0.3 2,-0.8 -12,-0.1 317,-0.2 -0.820 8.8-153.7-102.7 124.3 15.1 9.7 7.2 36 36 A I E -a 352 0A 14 315,-3.0 317,-2.0 -2,-0.5 2,-0.9 -0.834 20.6-145.6 -90.2 107.2 18.7 10.4 6.2 37 37 A N E +a 353 0A 38 -2,-0.8 3,-0.2 315,-0.2 317,-0.1 -0.655 38.8 152.0 -83.0 106.6 19.4 8.1 3.2 38 38 A L + 0 0 3 315,-2.3 333,-2.5 -2,-0.9 317,-0.3 -0.042 50.2 95.5-117.1 28.1 23.0 6.9 3.3 39 39 A S S S- 0 0 0 315,-0.3 2,-0.3 331,-0.2 315,-0.1 0.446 97.1 -17.2 -93.7 -3.8 22.2 3.6 1.4 40 40 A I S S- 0 0 64 313,-0.2 2,-0.4 -3,-0.2 -1,-0.1 -0.980 90.2 -5.0-173.4 160.2 23.1 5.1 -1.9 41 41 A G - 0 0 31 -2,-0.3 331,-0.1 1,-0.1 -3,-0.1 -0.309 21.9-157.0 92.3-107.2 23.8 8.0 -4.1 42 42 A D + 0 0 32 -2,-0.4 -1,-0.1 329,-0.0 3,-0.1 0.985 29.4 165.2 18.1 105.5 23.7 11.6 -4.0 43 43 A T + 0 0 114 1,-0.1 2,-4.0 193,-0.0 198,-0.0 0.428 45.9 89.7 -84.9-121.2 23.4 12.5 -7.7 44 44 A T + 0 0 99 1,-0.1 -1,-0.1 -2,-0.0 -2,-0.0 0.116 57.9 128.1 50.2 -30.0 22.3 16.2 -8.2 45 45 A Q - 0 0 48 -2,-4.0 196,-0.3 1,-0.1 194,-0.1 -0.353 61.5-122.6 -55.5 122.6 26.1 17.1 -8.2 46 46 A P - 0 0 89 0, 0.0 2,-0.1 0, 0.0 -1,-0.1 -0.297 21.5 -88.9 -81.4 156.5 26.6 19.1 -11.4 47 47 A L - 0 0 55 193,-0.1 193,-0.2 1,-0.1 192,-0.1 -0.367 58.1 -97.5 -51.6 126.3 28.8 18.6 -14.4 48 48 A N > - 0 0 43 191,-2.4 4,-2.6 1,-0.1 5,-0.2 -0.215 30.0-126.4 -52.6 139.0 32.2 20.3 -13.7 49 49 A A H > S+ 0 0 79 1,-0.2 4,-2.2 2,-0.2 -1,-0.1 0.869 106.5 43.3 -61.8 -43.2 32.3 23.7 -15.3 50 50 A S H > S+ 0 0 48 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.858 113.5 52.8 -74.7 -31.5 35.6 23.3 -17.3 51 51 A V H > S+ 0 0 0 2,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.940 110.5 48.2 -63.3 -44.7 34.5 19.8 -18.4 52 52 A A H X S+ 0 0 36 -4,-2.6 4,-2.7 1,-0.2 5,-0.2 0.906 108.9 53.5 -61.9 -44.4 31.2 21.3 -19.7 53 53 A E H X S+ 0 0 145 -4,-2.2 4,-2.5 1,-0.2 -1,-0.2 0.921 110.4 46.7 -55.2 -48.1 33.0 24.1 -21.5 54 54 A A H X S+ 0 0 23 -4,-2.1 4,-2.0 2,-0.2 -1,-0.2 0.892 110.9 53.0 -61.9 -41.4 35.2 21.6 -23.3 55 55 A F H X S+ 0 0 51 -4,-2.3 4,-2.0 2,-0.2 -2,-0.2 0.946 112.3 43.8 -59.1 -50.1 32.1 19.5 -24.2 56 56 A A H X S+ 0 0 61 -4,-2.7 4,-2.9 1,-0.2 -2,-0.2 0.872 110.3 55.3 -63.8 -40.9 30.3 22.6 -25.7 57 57 A S H X S+ 0 0 53 -4,-2.5 4,-1.9 -5,-0.2 -1,-0.2 0.867 107.4 50.6 -61.4 -35.6 33.5 23.7 -27.5 58 58 A S H X S+ 0 0 0 -4,-2.0 4,-2.3 2,-0.2 -2,-0.2 0.920 109.9 50.2 -65.7 -43.4 33.6 20.2 -29.1 59 59 A I H X S+ 0 0 84 -4,-2.0 4,-1.9 2,-0.2 -2,-0.2 0.941 108.3 51.8 -59.3 -46.3 29.9 20.6 -30.1 60 60 A A H < S+ 0 0 60 -4,-2.9 4,-0.3 1,-0.2 -1,-0.2 0.907 110.4 50.2 -56.8 -41.7 30.6 24.0 -31.7 61 61 A R H >< S+ 0 0 114 -4,-1.9 3,-1.2 1,-0.2 -1,-0.2 0.895 107.9 52.5 -61.2 -44.9 33.4 22.4 -33.6 62 62 A L H 3< S+ 0 0 56 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.822 106.9 53.4 -63.5 -32.8 31.2 19.5 -34.9 63 63 A S T 3< S+ 0 0 97 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.2 0.472 91.6 87.4 -84.7 -2.8 28.6 22.0 -36.2 64 64 A S S < S- 0 0 47 -3,-1.2 2,-1.2 -4,-0.3 3,-0.4 -0.812 91.1-106.6 -99.0 140.4 31.1 24.0 -38.3 65 65 A P S S+ 0 0 134 0, 0.0 -2,-0.1 0, 0.0 -3,-0.1 -0.474 96.2 74.3 -75.3 97.2 31.7 22.8 -41.9 66 66 A T S S+ 0 0 105 -2,-1.2 2,-0.1 -4,-0.2 -4,-0.1 0.597 70.1 167.6-128.4 -50.3 35.2 21.2 -41.9 67 67 A T - 0 0 49 -3,-0.4 2,-0.1 -6,-0.2 -1,-0.0 -0.550 22.0-167.3 176.1 77.6 34.4 18.4 -40.3 68 68 A C - 0 0 94 -2,-0.1 3,-0.1 -3,-0.1 -6,-0.0 -0.900 16.1-118.9 170.8 -5.3 36.1 15.9 -40.0 69 69 A R + 0 0 110 1,-0.2 -1,-0.0 -2,-0.1 0, 0.0 0.360 18.3 178.6 -32.3 128.0 35.4 12.4 -38.9 70 70 A G + 0 0 33 3,-0.1 -1,-0.2 -3,-0.0 209,-0.1 -0.987 8.0 173.0 95.0 -2.2 36.7 11.2 -36.7 71 71 A Y - 0 0 185 1,-0.1 5,-0.1 -3,-0.1 -2,-0.1 0.429 52.1-142.8 -56.7 1.5 35.0 7.8 -36.7 72 72 A G - 0 0 24 2,-0.1 2,-0.3 1,-0.1 -1,-0.1 -0.906 32.0 -70.8 118.2-105.1 37.8 7.6 -34.0 73 73 A P > - 0 0 58 0, 0.0 3,-0.9 0, 0.0 -1,-0.1 0.588 42.2-112.7 -23.7 157.3 39.1 4.9 -34.1 74 74 A D T 3 S+ 0 0 56 -2,-0.3 202,-0.2 1,-0.2 -2,-0.1 -0.085 120.8 60.3 75.6 -62.3 37.1 2.8 -32.9 75 75 A F T 3 S- 0 0 32 1,-0.3 25,-3.0 24,-0.1 -1,-0.2 0.518 114.3 -89.2-106.1 -13.7 39.7 2.7 -30.1 76 76 A G < - 0 0 3 -3,-0.9 -1,-0.3 23,-0.2 -2,-0.1 -0.399 51.4 -45.9 127.3 161.4 39.4 6.4 -29.1 77 77 A L >> - 0 0 31 1,-0.1 4,-2.5 -2,-0.1 3,-1.1 -0.433 48.6-134.1 -59.4 123.6 40.6 9.9 -29.7 78 78 A P H 3> S+ 0 0 91 0, 0.0 4,-2.8 0, 0.0 5,-0.3 0.912 106.0 56.9 -49.4 -43.9 44.5 9.9 -29.8 79 79 A A H 3> S+ 0 0 56 1,-0.2 4,-2.0 2,-0.2 5,-0.1 0.831 110.7 42.7 -56.7 -35.0 44.5 12.9 -27.5 80 80 A L H <> S+ 0 0 0 -3,-1.1 4,-2.8 2,-0.2 5,-0.2 0.922 113.0 50.1 -78.9 -44.8 42.5 11.1 -24.9 81 81 A R H X S+ 0 0 29 -4,-2.5 4,-2.0 2,-0.2 -2,-0.2 0.903 116.1 45.5 -55.9 -38.1 44.4 7.8 -25.2 82 82 A Q H X S+ 0 0 88 -4,-2.8 4,-2.4 -5,-0.3 5,-0.3 0.919 112.4 48.5 -75.8 -44.2 47.6 9.8 -24.8 83 83 A K H X>S+ 0 0 32 -4,-2.0 4,-2.3 -5,-0.3 5,-1.3 0.888 111.5 50.2 -65.5 -36.0 46.4 11.9 -21.9 84 84 A L H <>S+ 0 0 0 -4,-2.8 5,-2.9 3,-0.2 6,-0.3 0.954 111.4 50.4 -60.7 -48.6 45.2 8.8 -20.1 85 85 A S H <5S+ 0 0 9 -4,-2.0 6,-2.4 -5,-0.2 8,-0.5 0.937 122.1 30.7 -51.4 -51.5 48.6 7.1 -20.7 86 86 A E H <5S+ 0 0 123 -4,-2.4 4,-0.2 4,-0.2 -2,-0.2 0.939 132.7 21.8 -82.9 -51.9 50.6 10.1 -19.3 87 87 A D T <5S+ 0 0 86 -4,-2.3 -3,-0.2 -5,-0.3 -2,-0.1 0.928 128.8 37.8 -90.2 -47.4 48.5 11.8 -16.7 88 88 A F T - 0 0 74 -2,-0.4 3,-1.7 1,-0.1 4,-0.2 -0.569 24.3-118.7 -83.4 149.1 51.0 3.0 -23.3 95 95 A A G > S+ 0 0 16 1,-0.3 3,-1.6 -2,-0.2 -1,-0.1 0.846 112.8 59.3 -52.8 -37.8 48.4 4.9 -25.3 96 96 A K G 3 S+ 0 0 139 1,-0.3 -1,-0.3 3,-0.0 154,-0.1 0.615 99.6 57.7 -71.4 -11.3 48.0 1.9 -27.7 97 97 A E G < S+ 0 0 6 -3,-1.7 153,-2.2 -16,-0.1 2,-0.5 0.438 90.8 88.4 -94.3 -2.0 46.9 -0.3 -24.8 98 98 A I E < -B 249 0B 0 -3,-1.6 2,-0.5 -4,-0.2 151,-0.2 -0.874 56.3-169.1-107.4 128.2 44.0 2.0 -23.9 99 99 A F E -B 248 0B 2 149,-2.5 149,-1.9 -2,-0.5 2,-0.3 -0.972 16.9-139.3-121.4 114.8 40.5 1.5 -25.6 100 100 A I E +B 247 0B 2 -25,-3.0 147,-0.3 -2,-0.5 2,-0.2 -0.581 30.5 166.6 -80.0 134.4 38.0 4.2 -25.0 101 101 A S E -B 246 0B 2 145,-3.1 145,-2.5 -2,-0.3 3,-0.1 -0.757 48.6 -99.9-130.1-174.1 34.4 3.1 -24.4 102 102 A D S S- 0 0 49 143,-0.3 143,-0.3 1,-0.3 2,-0.2 0.300 90.0 -34.5 -95.3 12.4 31.1 4.6 -23.2 103 103 A G > - 0 0 11 141,-0.2 4,-1.9 129,-0.1 143,-0.3 -0.652 57.2 -91.0 147.0 164.3 31.4 3.2 -19.6 104 104 A A H > S+ 0 0 20 141,-0.3 4,-1.2 1,-0.2 -1,-0.1 0.503 113.7 55.1 -80.6 -7.6 32.5 0.6 -17.2 105 105 A K H > S+ 0 0 157 2,-0.2 4,-1.9 3,-0.1 -1,-0.2 0.856 111.5 43.9 -89.7 -44.9 29.3 -1.5 -17.1 106 106 A V H > S+ 0 0 51 2,-0.2 4,-3.4 1,-0.2 -2,-0.2 0.891 113.4 54.0 -59.0 -43.2 29.2 -1.9 -20.8 107 107 A D H X S+ 0 0 2 -4,-1.9 4,-3.4 2,-0.2 5,-0.2 0.919 106.9 49.2 -64.9 -45.5 33.0 -2.7 -20.8 108 108 A L H X S+ 0 0 8 -4,-1.2 4,-2.8 2,-0.2 5,-0.3 0.939 114.1 47.1 -57.1 -45.6 32.6 -5.4 -18.2 109 109 A F H X S+ 0 0 97 -4,-1.9 4,-2.4 2,-0.2 5,-0.2 0.934 112.7 48.5 -62.6 -48.1 29.9 -6.9 -20.3 110 110 A R H X S+ 0 0 30 -4,-3.4 4,-3.2 2,-0.2 -2,-0.2 0.938 113.8 48.2 -52.0 -49.1 32.0 -6.6 -23.5 111 111 A L H X S+ 0 0 0 -4,-3.4 4,-2.3 2,-0.2 -2,-0.2 0.932 113.5 44.7 -61.9 -47.7 34.9 -8.2 -21.7 112 112 A L H X S+ 0 0 5 -4,-2.8 4,-1.0 2,-0.2 -1,-0.2 0.879 116.0 47.2 -68.8 -32.4 33.0 -11.1 -20.3 113 113 A S H >< S+ 0 0 43 -4,-2.4 3,-0.6 -5,-0.3 -2,-0.2 0.940 109.2 55.3 -72.7 -42.7 31.2 -11.7 -23.5 114 114 A F H 3< S+ 0 0 30 -4,-3.2 -2,-0.2 -5,-0.2 -1,-0.2 0.898 107.7 49.3 -50.4 -43.8 34.6 -11.5 -25.4 115 115 A F H 3< S- 0 0 29 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.761 110.4-140.2 -76.5 -19.0 36.0 -14.3 -23.2 116 116 A G << - 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