==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=1-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 22-SEP-06 2IGB . COMPND 2 MOLECULE: PYRR BIFUNCTIONAL PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS CALDOLYTICUS; . AUTHOR P.CHANDER,R.L.SWITZER,J.L.SMITH . 345 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17275.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 250 72.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 54 15.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 47 13.6 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.3 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 . 30 8.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 12 3.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 93 27.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 0.6 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 0 0 0 0 1 0 1 0 0 0 0 0 4 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 4 2 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 PARALLEL BRIDGES PER LADDER . 0 0 0 2 1 1 0 2 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 . 0 2 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 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 0 155 0, 0.0 171,-2.4 0, 0.0 2,-0.5 0.000 360.0 360.0 360.0 138.6 23.3 27.9 27.3 2 2 A Q E -A 171 0A 88 169,-0.2 169,-0.3 1,-0.1 3,-0.1 -0.702 360.0-179.6 -77.3 120.1 20.0 27.4 29.1 3 3 A K E - 0 0 89 167,-3.3 2,-0.3 -2,-0.5 168,-0.2 0.734 56.6 -10.6 -96.4 -26.1 20.0 29.7 32.1 4 4 A A E -A 170 0A 43 166,-1.3 166,-2.3 0, 0.0 2,-0.6 -0.957 51.8-123.8-167.8 150.0 16.7 28.9 33.8 5 5 A V E +A 169 0A 71 -2,-0.3 164,-0.3 164,-0.2 3,-0.1 -0.930 29.7 175.8 -95.0 124.8 13.3 27.2 33.5 6 6 A V E + 0 0 32 162,-2.7 2,-0.3 -2,-0.6 163,-0.2 0.685 66.4 25.7-106.9 -22.8 10.7 29.9 34.0 7 7 A M E -A 168 0A 4 161,-1.9 161,-2.6 138,-0.0 -1,-0.3 -0.962 67.0-164.0-137.9 128.7 7.6 28.0 33.4 8 8 A D > - 0 0 47 -2,-0.3 4,-2.7 159,-0.2 5,-0.3 -0.376 45.7 -85.9 -94.0-178.1 7.0 24.3 33.8 9 9 A E H > S+ 0 0 125 157,-0.3 4,-2.7 1,-0.2 5,-0.1 0.903 129.6 47.8 -56.0 -44.0 4.2 22.2 32.3 10 10 A Q H > S+ 0 0 94 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.885 110.7 51.7 -66.3 -40.4 1.9 22.9 35.3 11 11 A A H > S+ 0 0 16 2,-0.2 4,-2.5 1,-0.2 -2,-0.2 0.925 112.7 45.9 -59.1 -43.9 2.7 26.7 35.1 12 12 A I H X S+ 0 0 0 -4,-2.7 4,-2.7 2,-0.2 5,-0.2 0.936 112.4 50.9 -66.0 -44.3 1.8 26.7 31.4 13 13 A R H X S+ 0 0 107 -4,-2.7 4,-2.2 -5,-0.3 -2,-0.2 0.941 113.1 44.6 -55.2 -50.4 -1.4 24.7 32.1 14 14 A R H X S+ 0 0 29 -4,-2.7 4,-2.4 1,-0.2 -1,-0.2 0.868 112.8 52.0 -61.9 -43.2 -2.5 27.1 34.8 15 15 A A H X S+ 0 0 0 -4,-2.5 4,-3.0 2,-0.2 -1,-0.2 0.922 110.2 47.7 -61.8 -44.8 -1.7 30.2 32.7 16 16 A L H X S+ 0 0 4 -4,-2.7 4,-2.3 2,-0.2 -2,-0.2 0.915 111.9 49.6 -66.0 -38.5 -3.7 28.9 29.7 17 17 A T H X S+ 0 0 23 -4,-2.2 4,-2.1 -5,-0.2 -1,-0.2 0.953 112.8 47.9 -62.2 -43.6 -6.7 28.1 31.9 18 18 A R H X S+ 0 0 23 -4,-2.4 4,-2.5 1,-0.2 -2,-0.2 0.939 110.8 50.4 -64.4 -45.3 -6.5 31.6 33.5 19 19 A I H X S+ 0 0 2 -4,-3.0 4,-2.8 1,-0.2 -1,-0.2 0.902 107.1 55.0 -59.7 -40.9 -6.2 33.3 30.1 20 20 A A H X S+ 0 0 0 -4,-2.3 4,-2.2 1,-0.2 -1,-0.2 0.929 109.3 47.4 -57.3 -45.0 -9.2 31.4 28.8 21 21 A H H X S+ 0 0 26 -4,-2.1 4,-2.9 1,-0.2 -2,-0.2 0.917 111.8 51.0 -60.4 -44.2 -11.2 32.7 31.8 22 22 A E H X S+ 0 0 16 -4,-2.5 4,-2.8 2,-0.2 5,-0.3 0.893 108.7 50.6 -62.0 -41.3 -9.9 36.2 31.1 23 23 A I H X S+ 0 0 0 -4,-2.8 4,-1.9 2,-0.2 -1,-0.2 0.945 114.0 44.2 -62.6 -47.4 -10.9 36.1 27.4 24 24 A I H X>S+ 0 0 5 -4,-2.2 5,-3.0 -5,-0.2 4,-0.5 0.941 115.8 47.9 -62.6 -45.6 -14.4 34.9 28.3 25 25 A E H ><5S+ 0 0 29 -4,-2.9 3,-0.7 3,-0.2 -2,-0.2 0.887 112.8 47.1 -58.9 -49.3 -14.8 37.5 31.1 26 26 A R H 3<5S+ 0 0 107 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.866 117.2 41.9 -67.3 -36.0 -13.5 40.4 29.1 27 27 A N H 3<5S- 0 0 21 -4,-1.9 -1,-0.2 -5,-0.3 -2,-0.2 0.420 109.0-123.9 -90.7 2.1 -15.7 39.7 26.1 28 28 A K T <<5S- 0 0 159 -3,-0.7 -3,-0.2 -4,-0.5 2,-0.2 0.914 83.9 -14.1 54.1 51.7 -18.7 38.8 28.3 29 29 A G S S+ 0 0 13 -2,-0.2 3,-2.2 23,-0.1 -1,-0.1 0.366 72.5 134.5-101.8 8.2 -17.3 34.1 23.5 31 31 A D T 3 S+ 0 0 129 1,-0.3 3,-0.1 -3,-0.1 62,-0.1 -0.337 81.6 11.2 -51.3 122.9 -20.0 35.1 21.0 32 32 A G T 3 S+ 0 0 35 1,-0.3 61,-2.9 60,-0.1 2,-0.3 0.473 100.1 127.7 86.2 0.7 -18.3 36.7 18.1 33 33 A C E < +c 93 0B 4 -3,-2.2 2,-0.3 59,-0.2 -1,-0.3 -0.700 30.4 176.3 -93.8 143.1 -14.7 35.7 19.1 34 34 A V E -c 94 0B 0 59,-2.5 61,-3.3 -2,-0.3 2,-0.4 -0.981 20.5-135.4-138.9 152.9 -12.2 34.0 17.0 35 35 A L E -cd 95 63B 0 27,-2.7 29,-3.0 -2,-0.3 2,-0.5 -0.875 12.2-168.5-109.4 139.7 -8.6 33.0 17.6 36 36 A V E -cd 96 64B 1 59,-2.7 61,-2.3 -2,-0.4 2,-0.3 -0.946 13.0-150.7-130.1 109.5 -5.8 33.4 15.1 37 37 A G E -cd 97 65B 0 27,-2.8 29,-2.3 -2,-0.5 2,-0.6 -0.605 6.8-139.2 -81.2 142.5 -2.5 31.7 15.9 38 38 A I E > - d 0 66B 0 59,-2.7 4,-1.2 -2,-0.3 61,-0.3 -0.858 60.7 -32.2-105.4 117.2 0.9 33.1 14.8 39 39 A K H > S- 0 0 81 27,-3.5 4,-2.4 -2,-0.6 5,-0.2 0.042 99.5 -47.9 65.0-179.3 3.4 30.6 13.5 40 40 A T H > S+ 0 0 75 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.922 138.5 35.9 -56.2 -55.2 3.8 27.1 14.7 41 41 A R H > S+ 0 0 76 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.846 115.3 55.4 -75.7 -31.3 3.8 27.6 18.5 42 42 A G H X S+ 0 0 0 -4,-1.2 4,-2.2 2,-0.2 -1,-0.2 0.867 107.8 51.4 -60.5 -38.5 1.3 30.4 18.4 43 43 A I H X S+ 0 0 21 -4,-2.4 4,-2.7 -6,-0.3 -2,-0.2 0.936 108.6 49.5 -66.7 -44.2 -1.1 28.0 16.5 44 44 A Y H X S+ 0 0 54 -4,-1.9 4,-2.2 1,-0.2 -2,-0.2 0.906 112.4 48.5 -60.5 -42.1 -0.7 25.3 19.1 45 45 A L H X S+ 0 0 2 -4,-2.2 4,-2.7 2,-0.2 -1,-0.2 0.889 110.2 51.2 -63.8 -39.5 -1.4 27.8 21.8 46 46 A A H X S+ 0 0 0 -4,-2.2 4,-2.3 2,-0.2 -2,-0.2 0.915 110.2 49.5 -65.6 -41.4 -4.5 29.1 20.0 47 47 A R H X S+ 0 0 123 -4,-2.7 4,-2.1 2,-0.2 -2,-0.2 0.914 111.3 49.8 -62.8 -40.3 -5.7 25.5 19.6 48 48 A R H X S+ 0 0 26 -4,-2.2 4,-2.6 1,-0.2 -2,-0.2 0.924 111.8 48.0 -62.6 -46.4 -5.2 24.9 23.4 49 49 A L H X S+ 0 0 2 -4,-2.7 4,-2.7 2,-0.2 -1,-0.2 0.902 109.1 53.1 -62.0 -40.3 -7.0 28.1 24.2 50 50 A A H X S+ 0 0 10 -4,-2.3 4,-2.1 1,-0.2 -1,-0.2 0.919 111.0 47.0 -62.3 -41.9 -9.9 27.2 21.9 51 51 A E H X S+ 0 0 112 -4,-2.1 4,-2.6 2,-0.2 -1,-0.2 0.924 112.0 49.5 -65.4 -46.7 -10.2 23.9 23.7 52 52 A R H X S+ 0 0 31 -4,-2.6 4,-1.9 2,-0.2 -2,-0.2 0.922 110.6 50.5 -58.7 -43.6 -10.1 25.4 27.2 53 53 A I H X S+ 0 0 1 -4,-2.7 4,-3.1 1,-0.2 5,-0.4 0.923 112.0 47.0 -63.8 -40.7 -12.7 27.9 26.3 54 54 A E H X S+ 0 0 95 -4,-2.1 4,-2.3 1,-0.2 -1,-0.2 0.885 111.4 51.8 -64.5 -42.0 -15.0 25.1 24.9 55 55 A Q H < S+ 0 0 136 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.808 120.0 35.5 -64.0 -31.5 -14.3 23.1 28.1 56 56 A I H < S+ 0 0 60 -4,-1.9 -2,-0.2 -5,-0.2 -1,-0.2 0.873 132.2 25.8 -86.6 -40.2 -15.3 26.1 30.2 57 57 A E H < S- 0 0 60 -4,-3.1 -3,-0.2 2,-0.2 -2,-0.2 0.593 92.2-127.7-104.6 -26.2 -18.1 27.6 28.1 58 58 A G S < S+ 0 0 66 -4,-2.3 2,-0.3 -5,-0.4 -4,-0.2 0.698 76.6 101.3 80.1 20.0 -19.5 24.7 26.1 59 59 A A - 0 0 42 -6,-0.3 -1,-0.3 -28,-0.0 -2,-0.2 -0.987 69.7-123.0-136.4 141.0 -19.1 26.6 22.8 60 60 A S - 0 0 84 -2,-0.3 -9,-0.1 -3,-0.1 -10,-0.0 -0.533 15.8-148.2 -87.8 151.1 -16.4 26.2 20.2 61 61 A V - 0 0 11 -2,-0.2 -27,-0.1 -11,-0.2 -7,-0.1 -0.991 22.0-118.3-119.9 126.1 -14.2 29.0 19.0 62 62 A P - 0 0 45 0, 0.0 -27,-2.7 0, 0.0 2,-0.5 -0.327 26.8-151.3 -59.6 140.2 -12.9 29.0 15.4 63 63 A V E -d 35 0B 41 -29,-0.2 -27,-0.2 -27,-0.1 2,-0.2 -0.985 14.1-176.7-118.6 123.1 -9.0 28.9 15.1 64 64 A G E -d 36 0B 0 -29,-3.0 -27,-2.8 -2,-0.5 2,-0.4 -0.574 13.7-136.2-108.8 176.5 -7.1 30.5 12.2 65 65 A E E -dE 37 84B 53 19,-2.0 19,-3.1 -29,-0.2 2,-0.4 -0.991 11.9-169.0-141.6 136.9 -3.4 30.5 11.3 66 66 A L E -dE 38 83B 2 -29,-2.3 -27,-3.5 -2,-0.4 2,-0.6 -0.999 10.9-154.6-123.0 131.9 -0.8 32.9 10.1 67 67 A D E - E 0 82B 75 15,-3.1 14,-2.9 -2,-0.4 15,-1.5 -0.928 20.4-179.7-105.1 119.6 2.6 31.9 8.9 68 68 A I E - E 0 80B 9 -2,-0.6 2,-0.3 12,-0.3 12,-0.2 -0.973 3.9-176.6-125.0 131.9 5.1 34.8 9.4 69 69 A T E - E 0 79B 46 10,-2.4 10,-3.0 -2,-0.4 2,-0.5 -0.896 27.1-109.8-126.2 156.9 8.8 34.8 8.5 70 70 A L E - E 0 78B 99 -2,-0.3 2,-0.4 8,-0.2 6,-0.0 -0.772 24.6-163.4 -89.5 129.8 11.6 37.3 8.8 71 71 A Y E - E 0 77B 120 6,-3.0 6,-2.2 -2,-0.5 2,-0.3 -0.859 16.1-155.3-105.3 143.9 13.1 39.1 5.8 72 72 A R E E 0 76B 177 -2,-0.4 4,-0.2 4,-0.2 -2,-0.0 -0.921 360.0 360.0-130.4 150.9 16.5 40.8 6.1 73 73 A D 0 0 175 2,-1.1 3,-0.1 -2,-0.3 -1,-0.1 -0.440 360.0 360.0 121.7 360.0 18.7 43.5 4.7 74 ! 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 75 81 A D 0 0 151 0, 0.0 -2,-1.1 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 140.7 16.8 45.5 10.8 76 82 A H E -E 72 0B 86 -4,-0.2 -4,-0.2 -3,-0.1 -6,-0.1 -0.829 360.0-146.8-125.0 166.1 14.4 42.7 9.8 77 83 A E E -E 71 0B 72 -6,-2.2 -6,-3.0 -2,-0.3 2,-0.5 -0.978 12.7-138.0-136.0 125.1 10.8 42.8 8.6 78 84 A P E -E 70 0B 7 0, 0.0 2,-0.4 0, 0.0 -8,-0.2 -0.704 27.4-175.0 -78.9 128.1 8.2 40.2 9.4 79 85 A L E -E 69 0B 68 -10,-3.0 -10,-2.4 -2,-0.5 2,-0.5 -0.931 30.7-108.1-122.4 148.8 6.1 39.2 6.4 80 86 A V E +E 68 0B 60 -2,-0.4 -12,-0.3 -12,-0.2 3,-0.1 -0.623 32.5 174.7 -71.7 119.4 3.1 36.9 5.9 81 87 A K E + 0 0 136 -14,-2.9 2,-0.3 -2,-0.5 -13,-0.2 0.594 69.0 1.9 -94.0 -18.0 4.2 33.8 4.0 82 88 A G E -E 67 0B 28 -15,-1.5 -15,-3.1 2,-0.0 2,-0.4 -0.946 56.3-157.9-170.8 148.4 0.7 32.1 4.4 83 89 A T E +E 66 0B 73 -2,-0.3 2,-0.3 -17,-0.2 -17,-0.2 -0.999 10.2 174.5-134.9 131.0 -2.8 32.5 5.8 84 90 A N E +E 65 0B 89 -19,-3.1 -19,-2.0 -2,-0.4 -2,-0.0 -0.751 25.0 141.7-136.1 88.5 -5.4 29.9 6.8 85 91 A V - 0 0 25 -2,-0.3 2,-1.3 -21,-0.3 -21,-0.1 -0.777 22.6-178.3-128.6 79.4 -8.4 31.8 8.3 86 92 A P + 0 0 100 0, 0.0 -23,-0.0 0, 0.0 -22,-0.0 -0.175 59.3 62.1 -81.0 42.1 -11.5 29.9 7.0 87 93 A F S S- 0 0 32 -2,-1.3 2,-0.1 -25,-0.0 -53,-0.0 -0.965 93.0 -84.2-158.5 155.8 -14.1 32.1 8.7 88 94 A P - 0 0 85 0, 0.0 30,-0.1 0, 0.0 29,-0.0 -0.380 26.1-172.1 -67.5 149.0 -15.2 35.8 8.5 89 95 A V > + 0 0 6 28,-0.2 3,-2.0 25,-0.1 32,-0.4 0.525 51.1 113.3-113.6 -22.4 -13.3 38.3 10.6 90 96 A T T 3 S+ 0 0 67 1,-0.3 3,-0.1 27,-0.2 28,-0.0 -0.292 91.7 0.3 -61.0 128.4 -15.6 41.2 9.9 91 97 A E T 3 S+ 0 0 172 28,-2.7 -1,-0.3 1,-0.2 2,-0.2 0.531 110.9 115.3 68.1 9.7 -17.5 42.4 13.0 92 98 A R S < S- 0 0 62 -3,-2.0 29,-1.8 27,-0.1 30,-1.6 -0.608 74.1-114.9-100.3 164.6 -15.7 39.7 15.1 93 99 A N E -cf 33 122B 14 -61,-2.9 -59,-2.5 28,-0.2 2,-0.7 -0.894 33.7-157.6 -94.2 111.6 -13.3 40.0 18.0 94 100 A V E -cf 34 123B 0 28,-2.6 30,-2.8 -2,-0.8 2,-0.8 -0.829 3.6-161.5 -95.3 120.4 -10.0 38.5 16.6 95 101 A I E -cf 35 124B 1 -61,-3.3 -59,-2.7 -2,-0.7 30,-0.2 -0.867 7.6-152.7-105.1 105.8 -7.7 37.3 19.3 96 102 A L E -cf 36 125B 2 28,-3.0 30,-3.0 -2,-0.8 2,-0.4 -0.558 11.4-158.5 -69.4 145.1 -4.1 36.9 18.0 97 103 A V E +cf 37 126B 3 -61,-2.3 -59,-2.7 -2,-0.2 2,-0.3 -0.994 18.7 160.5-131.8 128.3 -2.1 34.3 19.8 98 104 A D E - f 0 127B 4 28,-2.0 30,-1.5 -2,-0.4 31,-0.2 -0.947 40.5-127.0-138.7 164.3 1.7 34.1 20.0 99 105 A D E S+ 0 0 29 -61,-0.3 30,-1.9 -2,-0.3 2,-0.4 0.927 90.5 16.5 -79.6 -41.2 4.3 32.4 22.2 100 106 A V E - f 0 129B 28 28,-0.2 2,-0.5 27,-0.1 -1,-0.3 -0.997 58.1-153.0-135.5 137.1 6.4 35.4 23.0 101 107 A L E + f 0 130B 2 28,-2.6 30,-2.5 -2,-0.4 31,-0.4 -0.922 36.7 142.6-101.0 125.4 6.0 39.2 22.7 102 108 A F S S- 0 0 77 -2,-0.5 -1,-0.1 28,-0.2 33,-0.1 0.349 76.6 -3.6-126.7-101.6 9.4 40.9 22.3 103 109 A T S S- 0 0 22 31,-0.2 32,-2.8 32,-0.1 33,-0.6 0.757 87.3-126.9 -68.3 -25.1 9.8 44.0 20.0 104 110 A G S > S+ 0 0 3 30,-0.2 4,-2.2 31,-0.1 5,-0.1 0.373 76.6 119.8 90.2 -3.8 6.1 43.7 18.9 105 111 A R H > S+ 0 0 76 2,-0.2 4,-1.9 1,-0.2 5,-0.1 0.866 71.9 50.3 -64.9 -36.6 7.1 43.7 15.2 106 112 A T H > S+ 0 0 34 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.922 111.3 49.7 -65.0 -43.9 5.6 40.3 14.5 107 113 A V H > S+ 0 0 8 2,-0.2 4,-3.4 1,-0.2 5,-0.3 0.912 106.1 55.4 -64.6 -36.8 2.3 41.4 16.1 108 114 A R H X S+ 0 0 106 -4,-2.2 4,-2.6 1,-0.2 -1,-0.2 0.950 110.0 46.9 -59.5 -42.8 2.2 44.5 14.0 109 115 A A H X S+ 0 0 15 -4,-1.9 4,-2.2 2,-0.2 -2,-0.2 0.912 114.4 47.0 -62.2 -42.8 2.5 42.4 10.9 110 116 A A H X S+ 0 0 0 -4,-2.4 4,-2.3 2,-0.2 -2,-0.2 0.905 112.1 49.3 -67.3 -42.9 -0.2 40.0 12.1 111 117 A M H X S+ 0 0 58 -4,-3.4 4,-2.4 2,-0.2 -2,-0.2 0.940 111.2 49.4 -62.6 -45.1 -2.5 42.9 13.1 112 118 A D H X S+ 0 0 62 -4,-2.6 4,-0.9 -5,-0.3 -2,-0.2 0.900 110.2 52.6 -61.7 -37.6 -2.0 44.5 9.7 113 119 A A H < S+ 0 0 20 -4,-2.2 4,-0.5 2,-0.2 3,-0.4 0.910 110.4 46.3 -62.2 -44.4 -2.8 41.1 8.0 114 120 A V H >X S+ 0 0 1 -4,-2.3 3,-1.5 1,-0.2 4,-0.8 0.922 108.9 55.4 -64.0 -45.1 -6.1 40.7 9.9 115 121 A M H 3< S+ 0 0 82 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.666 107.9 50.4 -65.4 -16.9 -7.0 44.3 9.1 116 122 A D T 3< S+ 0 0 140 -4,-0.9 -1,-0.3 -3,-0.4 -2,-0.2 0.482 102.2 60.7 -97.5 -4.8 -6.6 43.5 5.4 117 123 A L T <4 S- 0 0 89 -3,-1.5 2,-0.3 -4,-0.5 -2,-0.2 0.676 123.7 -55.0 -80.7 -24.9 -8.8 40.4 5.6 118 124 A G < - 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