==== 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 TRANSFERASE 26-NOV-09 3KTY . COMPND 2 MOLECULE: PROBABLE METHYLTRANSFERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: BORDETELLA PERTUSSIS; . AUTHOR Y.KIM,C.TESAR,L.KEIGHER,A.JOACHIMIAK,MIDWEST CENTER FOR STRU . 510 5 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 23956.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 361 70.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 88 17.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.4 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 0.2 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 . 1 0.2 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 5.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 58 11.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 167 32.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 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 0 7 4 3 0 0 0 0 0 3 3 0 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 3 3 5 7 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 . 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 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 0 0 3 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 S > 0 0 131 0, 0.0 4,-3.3 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0 -60.6 22.2 8.6 159.6 2 -1 A N H > + 0 0 112 2,-0.2 4,-2.1 1,-0.2 5,-0.1 0.947 360.0 46.5 -55.0 -49.7 21.7 9.6 156.0 3 0 A A H > S+ 0 0 77 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.852 115.2 48.6 -57.0 -35.4 19.5 6.6 155.6 4 1 A X H > S+ 0 0 80 2,-0.2 4,-2.0 1,-0.2 -2,-0.2 0.847 107.8 51.8 -76.7 -38.0 17.8 7.7 158.8 5 2 A T H X S+ 0 0 95 -4,-3.3 4,-1.3 2,-0.2 -2,-0.2 0.846 108.2 55.0 -62.7 -35.8 17.4 11.3 157.8 6 3 A Q H < S+ 0 0 111 -4,-2.1 4,-0.5 -5,-0.2 -2,-0.2 0.909 104.7 51.4 -68.1 -40.9 15.8 10.0 154.6 7 4 A A H >< S+ 0 0 25 -4,-1.5 3,-1.6 1,-0.2 -2,-0.2 0.947 110.6 48.9 -58.6 -46.7 13.2 8.0 156.7 8 5 A F H >< S+ 0 0 11 -4,-2.0 3,-1.3 1,-0.3 29,-0.3 0.774 100.5 65.2 -64.4 -25.2 12.4 11.2 158.6 9 6 A S T 3< S+ 0 0 57 -4,-1.3 -1,-0.3 1,-0.3 -2,-0.2 0.630 91.6 67.5 -71.9 -8.6 12.0 13.1 155.3 10 7 A R T < S+ 0 0 54 -3,-1.6 107,-2.8 -4,-0.5 2,-0.4 0.264 84.2 84.7 -99.1 10.1 9.0 10.9 154.6 11 8 A V E < -a 117 0A 0 -3,-1.3 27,-0.4 105,-0.2 2,-0.4 -0.953 59.4-169.2-112.1 136.0 6.9 12.3 157.4 12 9 A R E -a 118 0A 58 105,-3.1 107,-2.5 -2,-0.4 2,-0.5 -0.963 13.6-150.1-127.7 142.7 4.9 15.5 156.9 13 10 A F E -ab 119 39A 0 25,-2.3 27,-2.8 -2,-0.4 2,-0.6 -0.938 15.0-163.8-114.6 120.4 3.0 17.7 159.3 14 11 A I E -ab 120 40A 0 105,-3.1 107,-3.2 -2,-0.5 2,-0.6 -0.885 5.2-166.6-111.0 114.8 -0.1 19.5 158.0 15 12 A X E -ab 121 41A 2 25,-2.8 27,-2.7 -2,-0.6 2,-0.5 -0.869 13.0-150.5 -98.2 120.3 -1.7 22.4 159.7 16 13 A T E S- b 0 42A 0 105,-3.4 27,-0.2 -2,-0.6 3,-0.1 -0.753 70.6 -9.6 -94.7 133.9 -5.1 23.4 158.5 17 14 A Q S S- 0 0 75 25,-3.4 -1,-0.2 -2,-0.5 26,-0.1 0.814 76.8-163.1 58.9 33.2 -6.4 27.0 158.6 18 15 A P + 0 0 2 0, 0.0 27,-2.1 0, 0.0 28,-0.3 -0.270 12.3 179.8 -49.9 131.4 -3.5 28.2 160.8 19 16 A S + 0 0 26 1,-0.2 -2,-0.1 25,-0.2 104,-0.0 0.745 59.8 59.8-106.3 -34.3 -4.8 31.5 162.2 20 17 A H >> - 0 0 97 1,-0.1 4,-0.9 25,-0.0 3,-0.6 -0.890 64.4-154.7-108.5 116.1 -1.8 32.6 164.4 21 18 A P H 3> S+ 0 0 13 0, 0.0 4,-1.7 0, 0.0 3,-0.3 0.814 94.7 59.2 -59.2 -34.5 1.6 33.2 162.7 22 19 A G H 3> S+ 0 0 7 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.883 100.7 55.9 -60.9 -40.8 3.5 32.6 165.9 23 20 A N H <> S+ 0 0 33 -3,-0.6 4,-2.4 2,-0.2 -1,-0.2 0.813 104.3 54.9 -55.7 -34.0 2.0 29.1 166.1 24 21 A V H X S+ 0 0 0 -4,-0.9 4,-1.5 -3,-0.3 -2,-0.2 0.898 110.0 45.0 -71.4 -41.3 3.4 28.5 162.6 25 22 A G H X S+ 0 0 0 -4,-1.7 4,-1.9 2,-0.2 -2,-0.2 0.903 114.0 48.5 -62.3 -45.1 6.9 29.4 163.8 26 23 A S H X S+ 0 0 34 -4,-2.6 4,-3.5 1,-0.2 -2,-0.2 0.894 108.4 57.0 -62.8 -39.4 6.5 27.3 167.0 27 24 A A H X S+ 0 0 0 -4,-2.4 4,-2.3 1,-0.2 -1,-0.2 0.893 106.6 47.7 -53.7 -46.0 5.3 24.5 164.8 28 25 A A H X S+ 0 0 0 -4,-1.5 4,-2.0 2,-0.2 -1,-0.2 0.891 114.6 45.0 -67.9 -39.2 8.5 24.6 162.7 29 26 A R H X S+ 0 0 130 -4,-1.9 4,-2.6 29,-0.2 5,-0.2 0.945 109.7 56.2 -71.2 -51.6 10.8 24.6 165.8 30 27 A A H X S+ 0 0 10 -4,-3.5 4,-0.8 1,-0.2 -2,-0.2 0.939 112.2 41.2 -42.1 -57.2 8.7 21.9 167.4 31 28 A I H ><>S+ 0 0 0 -4,-2.3 5,-2.8 1,-0.2 3,-0.8 0.895 111.0 55.6 -69.7 -33.9 9.2 19.5 164.5 32 29 A K H ><5S+ 0 0 83 -4,-2.0 3,-2.3 1,-0.2 -1,-0.2 0.923 101.4 58.1 -60.9 -41.1 12.8 20.3 163.9 33 30 A T H 3<5S+ 0 0 63 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.741 107.5 49.0 -60.2 -24.1 13.6 19.5 167.5 34 31 A X T <<5S- 0 0 29 -3,-0.8 -1,-0.3 -4,-0.8 -2,-0.2 0.333 127.8-100.0 -92.5 1.7 12.2 16.0 166.8 35 32 A G T < 5S+ 0 0 39 -3,-2.3 2,-0.3 1,-0.3 -3,-0.2 0.533 80.9 128.5 93.1 6.9 14.3 15.7 163.6 36 33 A F < + 0 0 2 -5,-2.8 -1,-0.3 -6,-0.2 -2,-0.1 -0.746 31.3 178.4-100.7 145.4 11.5 16.6 161.1 37 34 A G + 0 0 19 -2,-0.3 2,-0.8 -29,-0.3 -1,-0.1 0.451 51.2 96.4-118.7 1.1 11.8 19.2 158.3 38 35 A E + 0 0 56 -27,-0.4 -25,-2.3 -7,-0.1 2,-0.5 -0.803 40.5 165.9-109.3 100.9 8.5 19.0 156.5 39 36 A L E -b 13 0A 3 -2,-0.8 31,-1.3 26,-0.4 2,-0.4 -0.933 10.4-172.4-117.1 132.5 5.8 21.5 157.4 40 37 A V E -bc 14 70A 6 -27,-2.8 -25,-2.8 -2,-0.5 2,-0.4 -0.972 7.3-158.3-126.3 133.0 2.7 22.1 155.3 41 38 A L E -bc 15 71A 0 29,-2.9 31,-2.4 -2,-0.4 2,-0.5 -0.930 4.1-159.9-110.3 133.2 0.0 24.7 155.7 42 39 A V E S-bc 16 72A 1 -27,-2.7 -25,-3.4 -2,-0.4 31,-0.2 -0.957 70.5 -19.4-112.3 124.6 -3.5 24.4 154.2 43 40 A A S S- 0 0 32 29,-2.8 -1,-0.2 -2,-0.5 30,-0.1 0.914 78.5-164.8 53.9 56.8 -5.6 27.6 153.7 44 41 A P - 0 0 20 0, 0.0 -25,-0.2 0, 0.0 -1,-0.1 -0.321 29.9-114.4 -70.9 159.3 -3.8 29.9 156.1 45 42 A R S S+ 0 0 168 -27,-2.1 -26,-0.1 1,-0.1 -2,-0.0 0.865 98.5 32.8 -57.1 -40.2 -5.6 33.0 157.2 46 43 A F S > S- 0 0 75 -28,-0.3 3,-1.1 0, 0.0 2,-0.2 -0.925 82.6-116.4-121.0 143.7 -3.0 35.2 155.4 47 44 A P T 3 S+ 0 0 111 0, 0.0 -2,-0.0 0, 0.0 0, 0.0 -0.575 105.4 24.5 -71.0 142.9 -0.8 34.8 152.3 48 45 A D T >> S+ 0 0 125 -2,-0.2 3,-1.3 3,-0.1 4,-0.8 0.802 75.3 154.2 69.3 28.5 2.9 34.7 153.2 49 46 A X G X4 S+ 0 0 0 -3,-1.1 3,-0.9 1,-0.3 6,-0.2 0.855 70.7 55.1 -42.9 -47.9 2.0 33.5 156.7 50 47 A T G 34 S+ 0 0 25 1,-0.3 -1,-0.3 19,-0.1 19,-0.1 0.601 105.4 53.4 -75.1 -9.4 5.5 31.9 157.0 51 48 A A G <4 S+ 0 0 63 -3,-1.3 -1,-0.3 4,-0.1 -2,-0.2 0.619 80.6 118.6 -95.3 -13.5 7.1 35.2 156.2 52 49 A Q S XX S- 0 0 61 -3,-0.9 4,-2.1 -4,-0.8 3,-1.0 -0.254 73.7-122.0 -52.9 135.7 5.2 37.0 159.0 53 50 A P H 3> S+ 0 0 102 0, 0.0 4,-2.8 0, 0.0 5,-0.1 0.816 109.8 52.0 -53.9 -40.4 7.6 38.5 161.6 54 51 A E H 3> S+ 0 0 112 2,-0.2 4,-1.9 1,-0.2 5,-0.1 0.795 107.5 52.0 -69.9 -27.5 6.1 36.6 164.6 55 52 A A H <> S+ 0 0 0 -3,-1.0 4,-0.6 -6,-0.2 -1,-0.2 0.960 112.8 45.7 -68.5 -49.4 6.4 33.3 162.7 56 53 A V H >X S+ 0 0 53 -4,-2.1 3,-1.6 1,-0.2 4,-0.6 0.957 112.5 50.6 -53.1 -56.5 10.1 34.0 162.0 57 54 A A H >< S+ 0 0 67 -4,-2.8 3,-0.6 1,-0.3 -1,-0.2 0.850 112.9 45.2 -53.5 -42.2 10.7 35.2 165.7 58 55 A L H 3< S+ 0 0 87 -4,-1.9 -1,-0.3 1,-0.2 -29,-0.2 0.500 108.8 59.6 -79.5 -3.1 9.2 32.0 167.2 59 56 A A H X< + 0 0 0 -3,-1.6 3,-3.5 -4,-0.6 -1,-0.2 0.581 69.1 153.3 -97.1 -10.5 11.0 29.8 164.7 60 57 A S T << S+ 0 0 80 -4,-0.6 -3,-0.1 -3,-0.6 -4,-0.0 0.175 74.9 17.7 -34.3 121.7 14.6 30.8 165.7 61 58 A G T 3 S+ 0 0 62 -29,-0.0 -1,-0.3 0, 0.0 3,-0.3 -0.204 123.5 61.4 103.5 -39.3 16.8 27.9 164.8 62 59 A A <> + 0 0 1 -3,-3.5 4,-1.8 1,-0.2 3,-0.3 -0.088 60.6 123.4-109.5 31.3 14.2 26.3 162.5 63 60 A L H > S+ 0 0 63 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.834 72.8 57.1 -63.7 -33.3 14.0 29.2 160.0 64 61 A D H > S+ 0 0 61 -3,-0.3 4,-2.2 2,-0.2 -1,-0.2 0.865 105.3 48.4 -60.4 -43.2 14.9 26.8 157.2 65 62 A V H 4 S+ 0 0 2 -3,-0.3 4,-0.4 1,-0.2 -26,-0.4 0.901 113.7 50.4 -64.6 -36.6 12.0 24.5 158.0 66 63 A L H >< S+ 0 0 1 -4,-1.8 3,-0.5 2,-0.2 -2,-0.2 0.865 109.9 47.5 -70.5 -43.0 9.8 27.6 158.0 67 64 A E H 3< S+ 0 0 137 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.966 112.7 48.6 -61.2 -54.9 11.1 28.9 154.7 68 65 A R T 3< S+ 0 0 129 -4,-2.2 -1,-0.2 -5,-0.1 -2,-0.2 0.493 82.0 126.4 -66.9 -7.5 10.6 25.6 152.9 69 66 A A < - 0 0 13 -3,-0.5 2,-0.3 -4,-0.4 -29,-0.2 -0.310 57.3-133.3 -57.7 133.3 7.1 25.1 154.2 70 67 A A E -c 40 0A 38 -31,-1.3 -29,-2.9 8,-0.0 2,-0.5 -0.667 15.1-155.8 -89.1 140.1 4.6 24.4 151.4 71 68 A V E +c 41 0A 66 -2,-0.3 2,-0.3 -31,-0.2 -29,-0.2 -0.980 16.3 172.0-118.8 125.8 1.3 26.3 151.4 72 69 A H E -c 42 0A 40 -31,-2.4 -29,-2.8 -2,-0.5 3,-0.0 -0.818 35.0-136.4-121.0 160.6 -1.8 25.0 149.6 73 70 A D S S+ 0 0 85 -2,-0.3 2,-0.3 -31,-0.2 -31,-0.1 0.662 87.9 43.6 -85.0 -19.4 -5.4 26.2 149.5 74 71 A T > - 0 0 20 1,-0.1 4,-1.5 -32,-0.1 5,-0.1 -0.919 68.7-136.0-132.8 156.1 -6.8 22.7 149.9 75 72 A L H > S+ 0 0 3 -2,-0.3 4,-3.0 1,-0.2 5,-0.3 0.876 106.5 64.8 -76.9 -34.6 -6.2 19.5 152.0 76 73 A E H > S+ 0 0 65 1,-0.2 4,-1.3 2,-0.2 -1,-0.2 0.938 102.7 47.0 -47.1 -55.2 -6.6 17.5 148.8 77 74 A E H >4 S+ 0 0 11 1,-0.2 3,-0.5 2,-0.2 -1,-0.2 0.925 112.5 49.8 -52.7 -47.7 -3.5 19.1 147.4 78 75 A A H 3< S+ 0 0 2 -4,-1.5 -2,-0.2 1,-0.2 -1,-0.2 0.854 114.2 45.9 -64.4 -33.0 -1.5 18.5 150.6 79 76 A L H >< S+ 0 0 24 -4,-3.0 3,-2.4 1,-0.2 -1,-0.2 0.641 83.0 97.6 -83.4 -13.7 -2.6 14.8 150.6 80 77 A A T << S+ 0 0 49 -4,-1.3 -1,-0.2 -3,-0.5 -2,-0.1 0.893 93.4 34.0 -49.1 -47.7 -1.9 14.1 147.0 81 78 A P T 3 S+ 0 0 54 0, 0.0 2,-0.5 0, 0.0 -1,-0.3 0.515 97.3 107.5 -88.5 9.2 1.5 12.5 147.7 82 79 A V < - 0 0 15 -3,-2.4 3,-0.2 1,-0.1 35,-0.1 -0.668 40.7-178.9 -92.9 131.4 0.5 11.0 151.0 83 80 A T S S+ 0 0 63 33,-1.3 2,-0.3 -2,-0.5 34,-0.2 0.694 79.4 25.6 -94.4 -21.3 0.1 7.3 151.4 84 81 A L E S-d 117 0A 23 32,-2.2 34,-2.7 2,-0.0 2,-0.5 -0.914 72.3-179.9-145.9 112.6 -0.9 7.2 155.1 85 82 A A E -d 118 0A 0 -2,-0.3 53,-1.9 32,-0.2 52,-1.3 -0.959 12.6-155.3-123.7 126.1 -2.5 10.2 156.7 86 83 A F E -de 119 138A 1 32,-3.8 34,-3.4 -2,-0.5 2,-0.8 -0.864 10.8-144.3 -99.5 127.2 -3.6 10.6 160.3 87 84 A A E -de 120 139A 0 51,-3.6 53,-2.8 -2,-0.5 2,-0.5 -0.798 22.5-148.8 -80.6 112.1 -6.2 13.1 161.3 88 85 A L E +de 121 140A 11 32,-2.7 34,-0.6 -2,-0.8 2,-0.3 -0.700 27.8 162.8 -86.3 123.4 -5.1 14.3 164.7 89 86 A T E - e 0 141A 20 51,-2.1 53,-1.4 -2,-0.5 2,-0.2 -0.791 40.1-153.1-131.0 171.6 -7.9 15.3 167.1 90 87 A T 0 0 69 -2,-0.3 51,-0.1 51,-0.2 59,-0.0 -0.650 360.0 360.0-142.9 89.3 -8.9 16.1 170.7 91 88 A R 0 0 214 -2,-0.2 -2,-0.0 58,-0.0 50,-0.0 -0.572 360.0 360.0-117.8 360.0 -12.7 15.3 171.0 92 ! 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 93 94 A P 0 0 171 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 131.1 -15.5 4.2 170.8 94 95 A P - 0 0 120 0, 0.0 3,-0.1 0, 0.0 47,-0.0 -0.220 360.0-137.9 -53.9 124.7 -11.8 5.5 171.2 95 96 A P - 0 0 50 0, 0.0 45,-0.1 0, 0.0 46,-0.1 -0.161 46.3 -69.2 -67.7 176.3 -10.0 6.0 167.9 96 97 A C E -f 140 0A 19 43,-0.8 45,-1.3 1,-0.1 2,-0.2 -0.377 58.1-122.1 -68.3 148.3 -6.4 4.8 167.8 97 98 A D E >> -f 141 0A 46 43,-0.2 4,-2.7 -3,-0.1 3,-0.5 -0.515 24.8-100.2 -91.8 166.1 -4.1 6.8 170.0 98 99 A I H 3> S+ 0 0 12 43,-1.9 4,-2.2 1,-0.2 5,-0.1 0.727 122.7 56.2 -56.3 -26.2 -1.0 8.7 168.9 99 100 A R H 3> S+ 0 0 167 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.923 110.6 42.5 -75.7 -44.1 1.2 5.9 170.2 100 101 A E H <> S+ 0 0 103 -3,-0.5 4,-2.4 2,-0.2 -2,-0.2 0.896 113.9 54.1 -58.4 -41.6 -0.6 3.2 168.0 101 102 A A H X S+ 0 0 2 -4,-2.7 4,-2.8 1,-0.2 -2,-0.2 0.944 106.0 51.3 -66.5 -43.5 -0.5 5.7 165.2 102 103 A A H X S+ 0 0 2 -4,-2.2 4,-1.9 2,-0.2 -1,-0.2 0.911 108.8 51.0 -57.2 -45.1 3.2 6.2 165.5 103 104 A G H X S+ 0 0 18 -4,-1.7 4,-1.9 2,-0.2 -1,-0.2 0.919 110.2 49.8 -58.3 -45.7 3.7 2.4 165.4 104 105 A L H X S+ 0 0 41 -4,-2.4 4,-2.7 1,-0.2 -2,-0.2 0.914 107.8 54.8 -56.8 -45.2 1.6 2.1 162.2 105 106 A A H X S+ 0 0 0 -4,-2.8 4,-2.7 1,-0.2 -1,-0.2 0.900 107.1 49.7 -55.6 -43.0 3.6 4.9 160.6 106 107 A R H X S+ 0 0 93 -4,-1.9 4,-1.6 2,-0.2 -1,-0.2 0.900 111.5 48.7 -63.1 -44.0 6.9 3.0 161.2 107 108 A R H X S+ 0 0 141 -4,-1.9 4,-2.7 2,-0.2 -2,-0.2 0.928 111.6 49.8 -61.5 -48.9 5.4 -0.1 159.7 108 109 A H H X S+ 0 0 43 -4,-2.7 4,-1.5 1,-0.2 7,-0.2 0.936 111.5 47.4 -58.6 -48.2 4.2 1.8 156.7 109 110 A L H < S+ 0 0 6 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.808 116.8 44.5 -66.3 -26.2 7.5 3.5 156.1 110 111 A D H < S+ 0 0 101 -4,-1.6 -1,-0.2 -5,-0.2 -2,-0.2 0.807 114.5 48.2 -83.9 -32.3 9.3 0.2 156.4 111 112 A D H < S+ 0 0 130 -4,-2.7 2,-0.4 -5,-0.1 -2,-0.2 0.604 108.4 56.6 -87.2 -14.2 6.9 -1.8 154.3 112 113 A T S < S- 0 0 49 -4,-1.5 3,-0.2 -5,-0.2 0, 0.0 -0.927 70.5-140.0-119.6 145.7 6.7 0.7 151.3 113 114 A E S S+ 0 0 179 -2,-0.4 -1,-0.1 1,-0.2 -2,-0.0 0.966 102.3 8.5 -62.1 -52.5 9.5 2.0 149.1 114 115 A A S S+ 0 0 80 2,-0.1 -1,-0.2 -31,-0.0 -31,-0.1 -0.094 86.0 150.2-130.0 35.2 8.2 5.5 148.9 115 116 A G - 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