==== 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 AMINOTRANSFERASE 06-AUG-98 2AY4 . COMPND 2 MOLECULE: AROMATIC AMINO ACID AMINOTRANSFERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: PARACOCCUS DENITRIFICANS; . AUTHOR A.OKAMOTO,K.HIROTSU,H.KAGAMIYAMA . 782 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 29782.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 581 74.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 47 6.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 44 5.6 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 4 0.5 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 . 1 0.1 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 . 57 7.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 76 9.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 317 40.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 11 1.4 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 0 0 1 1 1 5 4 2 2 4 0 2 0 0 2 0 0 0 0 0 0 0 0 0 0 2 RESIDUES PER ALPHA HELIX . 0 3 1 2 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 PARALLEL BRIDGES PER LADDER . 2 1 2 0 0 3 1 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 1 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 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 5 A M > 0 0 39 0, 0.0 3,-2.2 0, 0.0 4,-0.3 0.000 360.0 360.0 360.0 -46.7 114.8 20.2 21.8 2 6 A L G > + 0 0 0 1,-0.3 3,-0.7 2,-0.2 656,-0.0 0.551 360.0 78.6 -60.8 -7.3 113.7 19.6 18.2 3 7 A G G 3 S+ 0 0 41 1,-0.2 -1,-0.3 654,-0.1 646,-0.0 0.729 83.0 65.8 -73.1 -20.1 115.1 16.0 18.4 4 8 A N G < S+ 0 0 111 -3,-2.2 -1,-0.2 2,-0.1 -2,-0.2 0.741 72.7 122.7 -70.9 -25.8 112.0 15.1 20.4 5 9 A L < - 0 0 9 -3,-0.7 499,-0.1 -4,-0.3 653,-0.1 -0.080 65.3-129.6 -41.4 125.0 109.8 15.8 17.3 6 10 A K - 0 0 168 1,-0.1 -1,-0.1 651,-0.0 -2,-0.1 -0.733 34.1-102.3 -81.4 128.3 107.9 12.7 16.4 7 11 A P - 0 0 107 0, 0.0 2,-0.4 0, 0.0 650,-0.1 -0.312 36.4-142.6 -54.0 128.2 108.4 11.9 12.7 8 12 A Q - 0 0 57 649,-0.3 655,-0.1 1,-0.1 656,-0.0 -0.799 18.5-111.5 -98.9 135.9 105.4 12.9 10.7 9 13 A A - 0 0 69 -2,-0.4 -1,-0.1 1,-0.1 0, 0.0 -0.325 36.4-112.1 -64.5 141.9 104.2 10.8 7.8 10 14 A P - 0 0 109 0, 0.0 -1,-0.1 0, 0.0 650,-0.0 -0.037 35.0 -92.3 -64.5 179.1 104.6 12.3 4.3 11 15 A D - 0 0 38 1,-0.2 2,-2.1 4,-0.0 -2,-0.1 0.533 42.5-141.0 -72.0 -9.3 101.8 13.4 2.0 12 16 A K S >> S+ 0 0 136 1,-0.2 4,-2.0 4,-0.0 3,-0.5 -0.206 88.0 89.7 74.7 -46.0 101.7 10.0 0.3 13 17 A I H 3> S+ 0 0 89 -2,-2.1 4,-2.2 1,-0.3 5,-0.2 0.864 83.7 55.3 -43.6 -45.7 101.1 11.9 -3.0 14 18 A L H 3> S+ 0 0 92 1,-0.2 4,-2.2 2,-0.2 -1,-0.3 0.927 105.3 50.9 -56.0 -48.1 104.8 12.0 -3.4 15 19 A A H <> S+ 0 0 47 -3,-0.5 4,-2.3 2,-0.2 -1,-0.2 0.866 107.5 54.1 -59.4 -39.4 105.0 8.2 -3.1 16 20 A L H X S+ 0 0 47 -4,-2.0 4,-2.2 1,-0.2 -1,-0.2 0.953 111.9 43.1 -59.8 -50.8 102.3 7.7 -5.7 17 21 A M H X S+ 0 0 71 -4,-2.2 4,-2.5 1,-0.2 5,-0.2 0.820 110.0 59.5 -64.9 -30.4 104.3 9.9 -8.2 18 22 A G H X S+ 0 0 28 -4,-2.2 4,-1.5 -5,-0.2 -1,-0.2 0.920 107.4 44.7 -64.4 -44.7 107.4 8.0 -7.1 19 23 A E H X S+ 0 0 83 -4,-2.3 4,-1.3 2,-0.2 3,-0.4 0.984 115.5 46.5 -61.6 -58.6 105.9 4.7 -8.2 20 24 A F H >< S+ 0 0 39 -4,-2.2 3,-1.4 1,-0.2 -2,-0.2 0.933 112.8 47.9 -49.4 -59.3 104.6 6.0 -11.5 21 25 A R H 3< S+ 0 0 162 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.790 109.7 53.9 -55.4 -34.0 107.8 7.8 -12.5 22 26 A A H 3< S+ 0 0 78 -4,-1.5 -1,-0.3 -3,-0.4 -2,-0.2 0.753 84.5 104.1 -73.0 -24.3 109.9 4.8 -11.6 23 27 A D << - 0 0 17 -3,-1.4 5,-0.1 -4,-1.3 -4,-0.0 -0.437 60.0-158.2 -63.3 116.6 107.8 2.6 -13.9 24 28 A P + 0 0 113 0, 0.0 2,-0.5 0, 0.0 -1,-0.2 0.203 49.7 129.7 -81.5 18.0 109.8 1.9 -17.1 25 29 A R > - 0 0 78 1,-0.1 3,-1.3 338,-0.0 -2,-0.1 -0.654 54.3-149.1 -83.7 122.0 106.5 1.1 -18.9 26 30 A Q T 3 S+ 0 0 187 -2,-0.5 2,-0.3 1,-0.3 -1,-0.1 0.901 96.5 38.3 -49.4 -51.7 105.9 2.9 -22.2 27 31 A G T 3 S+ 0 0 59 -3,-0.1 -1,-0.3 2,-0.0 2,-0.2 -0.289 79.2 149.2-101.4 48.6 102.2 3.0 -21.8 28 32 A K < - 0 0 59 -3,-1.3 2,-0.4 -2,-0.3 336,-0.2 -0.596 30.4-153.5 -80.3 142.5 101.7 3.7 -18.1 29 33 A I E -a 364 0A 17 334,-2.1 336,-2.9 -2,-0.2 2,-0.6 -0.926 7.2-152.3-120.6 143.0 98.6 5.6 -17.1 30 34 A D E +a 365 0A 52 -2,-0.4 3,-0.3 334,-0.2 336,-0.2 -0.872 28.8 154.7-119.5 100.6 98.0 7.9 -14.1 31 35 A L + 0 0 1 334,-3.0 342,-0.9 -2,-0.6 336,-0.3 0.151 63.6 84.2-102.9 14.2 94.4 8.2 -12.9 32 36 A G + 0 0 11 334,-0.2 -1,-0.2 333,-0.2 334,-0.1 0.524 59.4 120.7 -91.9 -9.3 95.6 9.1 -9.4 33 37 A V - 0 0 27 -3,-0.3 343,-0.1 1,-0.1 334,-0.1 -0.214 51.3-156.2 -52.9 146.7 96.1 12.8 -10.2 34 38 A G + 0 0 30 2,-0.1 2,-0.3 339,-0.1 -1,-0.1 0.235 66.8 66.7-112.8 13.1 94.0 15.1 -8.1 35 39 A V S S- 0 0 13 309,-0.1 2,-0.3 338,-0.0 340,-0.1 -0.823 91.8 -88.6-126.9 166.9 93.8 18.1 -10.3 36 40 A Y - 0 0 48 -2,-0.3 2,-0.4 8,-0.1 -2,-0.1 -0.574 41.1-174.4 -77.9 138.2 92.1 18.7 -13.7 37 41 A K - 0 0 53 -2,-0.3 6,-0.2 6,-0.1 4,-0.0 -0.999 14.0-139.1-133.9 131.8 94.2 18.0 -16.7 38 42 A D > - 0 0 46 4,-3.4 3,-2.6 -2,-0.4 4,-0.1 -0.120 45.2 -71.7 -80.1-173.1 93.2 18.7 -20.3 39 43 A A T 3 S+ 0 0 103 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.784 133.4 48.3 -47.6 -38.2 93.6 16.6 -23.5 40 44 A T T 3 S- 0 0 97 2,-0.1 -1,-0.3 1,-0.0 3,-0.1 0.164 122.6-101.3 -92.3 14.9 97.3 17.3 -23.5 41 45 A G S < S+ 0 0 42 -3,-2.6 2,-0.3 1,-0.2 -2,-0.1 0.762 81.1 128.5 73.1 27.4 97.9 16.4 -19.9 42 46 A H - 0 0 117 -4,-0.1 -4,-3.4 410,-0.0 -1,-0.2 -0.848 58.5-142.3-118.5 153.4 98.1 20.0 -18.7 43 47 A T - 0 0 7 -2,-0.3 410,-0.7 -6,-0.2 411,-0.3 -0.749 38.9-161.8-109.3 79.3 96.4 22.1 -16.0 44 48 A P - 0 0 46 0, 0.0 2,-0.5 0, 0.0 409,-0.2 0.029 22.0-109.0 -61.2 163.5 96.0 25.4 -17.9 45 49 A I - 0 0 27 406,-0.4 201,-0.1 407,-0.1 202,-0.1 -0.856 44.3-112.0 -93.5 128.1 95.4 28.8 -16.6 46 50 A M > - 0 0 15 -2,-0.5 4,-2.3 199,-0.4 5,-0.2 -0.326 18.7-121.2 -62.8 145.4 91.9 29.8 -17.5 47 51 A R H > S+ 0 0 127 1,-0.2 4,-1.9 2,-0.2 5,-0.2 0.922 112.6 48.3 -52.6 -52.2 91.5 32.6 -20.0 48 52 A A H > S+ 0 0 1 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.885 110.7 53.7 -60.0 -36.3 89.5 34.9 -17.7 49 53 A V H > S+ 0 0 1 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.920 109.3 45.7 -65.1 -45.7 92.1 34.3 -15.0 50 54 A H H X S+ 0 0 64 -4,-2.3 4,-1.3 1,-0.2 -1,-0.2 0.800 113.1 52.6 -67.0 -29.4 95.0 35.4 -17.1 51 55 A A H X S+ 0 0 29 -4,-1.9 4,-2.5 -5,-0.2 -2,-0.2 0.912 107.9 49.8 -71.4 -43.1 92.9 38.4 -18.2 52 56 A A H X S+ 0 0 0 -4,-2.5 4,-2.5 1,-0.2 -2,-0.2 0.885 109.4 52.3 -62.7 -40.0 92.3 39.4 -14.6 53 57 A E H X S+ 0 0 19 -4,-2.0 4,-1.8 2,-0.2 -1,-0.2 0.832 109.2 49.0 -66.3 -33.5 95.9 39.1 -13.8 54 58 A Q H X S+ 0 0 87 -4,-1.3 4,-1.3 2,-0.2 -2,-0.2 0.948 112.5 48.4 -68.9 -46.7 96.8 41.4 -16.8 55 59 A R H X S+ 0 0 93 -4,-2.5 4,-1.6 1,-0.2 3,-0.2 0.879 110.7 51.0 -60.2 -40.5 94.2 43.9 -15.7 56 60 A M H X S+ 0 0 9 -4,-2.5 4,-2.6 1,-0.2 -1,-0.2 0.899 103.7 58.0 -64.6 -42.7 95.5 43.8 -12.0 57 61 A L H < S+ 0 0 31 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.833 112.8 41.4 -57.3 -33.5 99.1 44.4 -13.1 58 62 A E H < S+ 0 0 162 -4,-1.3 -1,-0.2 -3,-0.2 -2,-0.2 0.757 120.9 38.5 -87.1 -27.9 98.0 47.6 -14.8 59 63 A T H < S+ 0 0 88 -4,-1.6 2,-0.3 -5,-0.1 -2,-0.2 0.671 88.2 98.4 -99.1 -21.2 95.5 48.9 -12.1 60 64 A E < + 0 0 41 -4,-2.6 3,-0.1 -5,-0.2 375,-0.1 -0.547 37.0 168.8 -72.1 132.6 97.2 48.1 -8.9 61 66 A T + 0 0 115 -2,-0.3 374,-0.3 1,-0.2 2,-0.3 0.594 62.1 22.2-115.5 -20.0 99.1 51.0 -7.4 62 67 A T - 0 0 36 372,-0.1 -1,-0.2 2,-0.1 373,-0.1 -0.915 45.3-158.5-144.8 166.2 99.9 49.7 -3.9 63 68 A K + 0 0 4 370,-0.5 576,-2.2 -2,-0.3 577,-0.3 -0.012 45.4 140.8-135.0 26.4 100.3 46.5 -1.9 64 69 A T - 0 0 33 369,-0.3 575,-0.2 574,-0.2 2,-0.2 -0.056 69.9 -60.5 -61.6 173.6 99.8 47.9 1.6 65 70 A Y - 0 0 52 573,-0.1 -1,-0.2 1,-0.1 3,-0.1 -0.402 61.6-173.1 -62.8 123.7 97.8 45.8 4.2 66 71 A A - 0 0 27 1,-0.2 2,-0.3 -2,-0.2 -1,-0.1 0.223 44.4 -21.6 -92.7-140.4 94.3 45.2 2.9 67 72 A G > - 0 0 19 1,-0.1 3,-0.6 2,-0.1 -1,-0.2 -0.556 40.8-149.0 -83.6 134.4 91.4 43.6 4.8 68 73 A L T 3 S+ 0 0 36 -2,-0.3 -1,-0.1 1,-0.3 3,-0.1 0.877 106.1 34.6 -60.4 -41.7 91.8 41.3 7.8 69 74 A S T 3 S- 0 0 22 1,-0.4 27,-2.7 26,-0.1 -1,-0.3 0.422 128.9 -94.6 -93.2 -0.6 88.6 39.4 6.8 70 75 A G < - 0 0 11 -3,-0.6 -1,-0.4 25,-0.2 -2,-0.1 -0.587 57.6 -46.1 112.8-179.3 89.2 39.8 3.1 71 76 A E > - 0 0 62 -2,-0.2 4,-2.5 1,-0.1 3,-0.4 -0.728 42.6-130.2 -92.5 141.9 88.0 42.4 0.6 72 77 A P H > S+ 0 0 88 0, 0.0 4,-2.7 0, 0.0 5,-0.3 0.906 108.0 53.9 -52.6 -49.3 84.3 43.4 0.4 73 78 A E H > S+ 0 0 72 1,-0.2 4,-2.0 2,-0.2 5,-0.2 0.871 112.4 45.3 -56.2 -38.5 84.1 42.9 -3.3 74 79 A F H > S+ 0 0 2 -3,-0.4 4,-2.4 2,-0.2 5,-0.2 0.918 112.0 49.5 -72.2 -45.6 85.4 39.3 -2.9 75 80 A Q H X S+ 0 0 34 -4,-2.5 4,-2.0 1,-0.2 -2,-0.2 0.896 115.5 44.5 -60.3 -41.5 83.2 38.4 0.1 76 81 A K H X S+ 0 0 77 -4,-2.7 4,-2.4 -5,-0.2 5,-0.2 0.917 112.6 49.7 -69.9 -46.6 80.1 39.7 -1.8 77 82 A A H X S+ 0 0 5 -4,-2.0 4,-1.7 -5,-0.3 -2,-0.2 0.889 113.4 47.2 -61.8 -39.3 80.9 38.1 -5.1 78 83 A M H X S+ 0 0 4 -4,-2.4 4,-2.3 2,-0.2 5,-0.3 0.928 110.4 51.6 -69.0 -43.2 81.5 34.7 -3.4 79 84 A G H X S+ 0 0 1 -4,-2.0 4,-3.0 1,-0.2 5,-0.3 0.916 113.2 45.1 -58.9 -43.0 78.3 34.9 -1.3 80 85 A E H X S+ 0 0 99 -4,-2.4 4,-1.1 2,-0.2 -1,-0.2 0.807 110.2 55.2 -70.5 -31.3 76.3 35.6 -4.5 81 86 A L H < S+ 0 0 7 -4,-1.7 -2,-0.2 -5,-0.2 -1,-0.2 0.910 120.0 30.7 -67.9 -40.6 78.1 32.9 -6.4 82 87 A I H < S+ 0 0 1 -4,-2.3 -2,-0.2 -5,-0.1 -3,-0.2 0.860 133.8 26.0 -86.9 -41.5 77.2 30.3 -3.7 83 88 A L H >< S- 0 0 9 -4,-3.0 3,-1.4 -5,-0.3 -3,-0.2 0.462 85.2-165.4-104.8 -4.5 73.8 31.5 -2.4 84 89 A G G >< - 0 0 12 -4,-1.1 3,-1.4 -5,-0.3 -1,-0.2 -0.150 68.7 -14.8 55.4-145.3 72.5 33.5 -5.3 85 90 A D G 3 S+ 0 0 179 1,-0.3 -1,-0.3 3,-0.0 -5,-0.1 0.700 128.0 77.1 -61.3 -20.2 69.5 35.8 -4.6 86 91 A G G < + 0 0 47 -3,-1.4 2,-0.7 -6,-0.1 -1,-0.3 0.269 63.9 124.3 -76.1 12.2 69.1 34.0 -1.4 87 95 A L < - 0 0 32 -3,-1.4 2,-1.0 1,-0.1 3,-0.1 -0.667 43.3-167.5 -79.1 112.0 72.1 35.8 0.2 88 96 A K >> - 0 0 137 -2,-0.7 3,-2.4 1,-0.2 4,-0.5 -0.709 4.7-176.4-100.9 82.3 70.9 37.6 3.4 89 97 A S G >4 S+ 0 0 84 -2,-1.0 3,-1.1 1,-0.3 -1,-0.2 0.801 75.9 69.0 -45.6 -40.2 73.9 39.9 4.0 90 98 A E G 34 S+ 0 0 139 1,-0.3 -1,-0.3 -3,-0.1 175,-0.2 0.751 115.8 25.0 -53.6 -28.9 72.4 41.1 7.3 91 99 A T G <4 S+ 0 0 29 -3,-2.4 168,-2.6 174,-0.1 2,-0.6 0.248 101.4 99.9-122.4 12.0 73.0 37.7 8.8 92 100 A T E << -B 258 0B 10 -3,-1.1 2,-0.4 -4,-0.5 166,-0.2 -0.888 49.7-166.2-107.0 120.9 75.9 36.4 6.7 93 101 A A E -B 257 0B 0 164,-2.9 164,-3.4 -2,-0.6 2,-0.4 -0.862 11.4-165.6-102.3 136.8 79.5 36.5 8.1 94 102 A T E -B 256 0B 12 -2,-0.4 2,-0.4 162,-0.2 162,-0.2 -0.959 11.6-171.9-128.9 145.0 82.3 36.0 5.6 95 103 A L E -B 255 0B 0 160,-1.9 160,-2.5 -2,-0.4 2,-0.3 -0.978 20.4-138.1-138.3 119.9 86.0 35.3 5.9 96 104 A A E -B 254 0B 5 -27,-2.7 2,-0.3 -2,-0.4 158,-0.2 -0.620 37.8-175.6 -72.0 133.1 88.6 35.2 3.1 97 105 A T E -B 253 0B 4 156,-1.7 2,-1.7 -2,-0.3 156,-1.6 -0.801 39.4 -91.3-130.5 172.2 90.8 32.2 3.8 98 106 A V E > S-B 252 0B 0 -2,-0.3 4,-1.3 154,-0.2 154,-0.3 -0.652 92.2 -54.0 -83.8 85.4 93.9 30.4 2.6 99 107 A G H > S- 0 0 0 -2,-1.7 4,-1.4 152,-0.9 154,-0.4 0.036 81.2 -62.2 69.4 178.1 92.1 28.0 0.2 100 108 A G H > S+ 0 0 7 152,-0.3 4,-2.1 1,-0.2 -1,-0.2 0.834 134.0 59.7 -68.3 -31.7 89.2 25.7 1.1 101 109 A T H > S+ 0 0 9 569,-0.3 4,-2.6 1,-0.2 -1,-0.2 0.897 105.4 48.6 -63.7 -40.9 91.4 23.8 3.6 102 110 A G H X S+ 0 0 2 -4,-1.3 4,-2.4 568,-0.4 -1,-0.2 0.864 108.7 54.4 -65.5 -35.4 91.9 27.0 5.5 103 111 A A H X S+ 0 0 0 -4,-1.4 4,-1.9 2,-0.2 -2,-0.2 0.886 110.2 46.2 -64.8 -39.5 88.2 27.6 5.4 104 112 A L H X S+ 0 0 3 -4,-2.1 4,-2.6 2,-0.2 5,-0.2 0.942 111.9 50.5 -66.7 -49.7 87.5 24.1 6.9 105 113 A R H X S+ 0 0 12 -4,-2.6 4,-1.8 1,-0.2 -2,-0.2 0.892 113.3 46.0 -54.6 -45.0 90.2 24.7 9.6 106 114 A Q H X S+ 0 0 6 -4,-2.4 4,-2.6 2,-0.2 -1,-0.2 0.858 110.1 53.6 -67.3 -37.6 88.7 28.0 10.5 107 115 A A H X S+ 0 0 0 -4,-1.9 4,-2.5 2,-0.2 -2,-0.2 0.934 110.8 46.4 -63.0 -45.5 85.1 26.6 10.6 108 116 A L H X S+ 0 0 3 -4,-2.6 4,-1.9 1,-0.2 -1,-0.2 0.863 113.6 49.2 -63.6 -39.1 86.2 23.9 13.0 109 117 A E H X S+ 0 0 11 -4,-1.8 4,-1.4 -5,-0.2 -2,-0.2 0.894 112.0 47.9 -67.3 -44.0 88.1 26.4 15.2 110 118 A L H X S+ 0 0 0 -4,-2.6 4,-1.7 2,-0.2 -2,-0.2 0.929 112.5 49.0 -62.7 -46.7 85.1 28.8 15.2 111 119 A A H X S+ 0 0 0 -4,-2.5 4,-2.4 1,-0.2 -2,-0.2 0.871 109.0 52.2 -61.7 -40.9 82.7 25.9 16.1 112 120 A R H < S+ 0 0 80 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