==== 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 18-JAN-01 1HYB . COMPND 2 MOLECULE: NICOTINAMIDE MONONUCLEOTIDE ADENYLYLTRANSFERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: METHANOTHERMOBACTER THERMAUTOTROPHICUS . AUTHOR V.SARIDAKIS,D.CHRISTENDAT,M.S.KIMBER,A.M.EDWARDS,E.F.PAI . 161 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8222.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 119 73.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 21 13.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.6 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 0.6 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 0.6 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 . 11 6.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 16 9.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 59 36.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 2.5 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 0 0 0 0 1 1 2 1 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 2 0 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 . 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 0 ANTIPARALLEL BRIDGES PER LADDER . 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 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 4 A M 0 0 94 0, 0.0 27,-1.8 0, 0.0 28,-1.5 0.000 360.0 360.0 360.0 96.1 9.6 24.8 29.8 2 5 A R E -a 29 0A 59 26,-0.2 94,-3.4 25,-0.2 95,-1.0 -0.945 360.0-164.2-118.2 129.6 13.2 23.5 30.4 3 6 A G E -ab 30 97A 0 26,-2.3 28,-2.4 -2,-0.4 2,-0.4 -0.536 8.8-141.6-103.1 173.7 15.2 24.0 33.6 4 7 A L E -ab 31 98A 0 93,-1.2 95,-3.2 26,-0.2 2,-0.4 -0.996 14.0-176.6-141.7 133.4 18.9 23.6 34.2 5 8 A L E -ab 32 99A 19 26,-2.8 28,-3.2 -2,-0.4 2,-0.4 -0.983 7.8-161.7-128.7 138.3 20.7 22.1 37.2 6 9 A V E +a 33 0A 19 93,-0.8 2,-0.3 -2,-0.4 28,-0.2 -0.982 22.7 142.7-125.8 136.3 24.5 22.0 37.6 7 10 A G E -a 34 0A 20 26,-2.2 28,-2.3 -2,-0.4 -2,-0.0 -0.983 50.9-127.7-164.0 156.0 26.5 19.8 40.0 8 11 A R - 0 0 58 -2,-0.3 4,-0.1 26,-0.2 -1,-0.1 0.817 34.5-154.0 -77.8 -29.9 29.7 17.9 40.3 9 12 A M > - 0 0 21 2,-0.2 3,-0.6 1,-0.2 46,-0.1 0.951 15.4-175.4 55.6 55.9 27.8 14.7 41.4 10 13 A Q T 3 S- 0 0 5 1,-0.6 118,-0.2 34,-0.1 -1,-0.2 -0.637 88.0 -12.5-114.7 71.8 30.9 13.3 43.3 11 14 A P T 3 S- 0 0 2 0, 0.0 -1,-0.6 0, 0.0 2,-0.6 0.678 93.3-113.2 -97.0 177.3 29.0 10.9 43.7 12 15 A F < - 0 0 0 -3,-0.6 2,-0.1 -4,-0.1 133,-0.1 -0.544 45.9-165.9 -67.7 112.0 25.3 11.4 42.9 13 16 A H > - 0 0 33 -2,-0.6 4,-1.8 128,-0.2 128,-0.2 -0.391 33.7 -99.0-101.1 177.3 23.5 11.1 46.2 14 17 A R H > S+ 0 0 89 126,-2.7 4,-2.7 1,-0.2 5,-0.1 0.866 118.7 55.0 -58.5 -42.6 19.9 10.7 47.5 15 18 A G H > S+ 0 0 19 125,-0.3 4,-2.5 1,-0.2 -1,-0.2 0.920 107.9 48.8 -59.2 -44.8 19.4 14.4 48.2 16 19 A A H > S+ 0 0 16 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.866 110.5 51.7 -63.9 -36.6 20.3 15.3 44.7 17 20 A L H X S+ 0 0 9 -4,-1.8 4,-2.1 2,-0.2 -1,-0.2 0.947 109.1 50.4 -65.8 -45.4 17.9 12.7 43.4 18 21 A Q H X S+ 0 0 118 -4,-2.7 4,-2.2 1,-0.2 -2,-0.2 0.936 110.4 49.0 -56.5 -49.5 15.2 14.1 45.5 19 22 A V H X S+ 0 0 27 -4,-2.5 4,-2.6 1,-0.2 -1,-0.2 0.902 107.6 55.2 -58.9 -40.9 15.8 17.6 44.3 20 23 A I H X S+ 0 0 0 -4,-2.3 4,-2.2 1,-0.2 -1,-0.2 0.920 108.4 48.7 -59.0 -42.4 15.7 16.4 40.7 21 24 A K H < S+ 0 0 85 -4,-2.1 4,-0.3 2,-0.2 -1,-0.2 0.926 111.1 48.6 -63.7 -45.2 12.3 14.9 41.2 22 25 A S H >X S+ 0 0 35 -4,-2.2 3,-1.4 1,-0.2 4,-0.5 0.907 110.8 52.0 -61.5 -40.0 10.9 18.0 42.8 23 26 A I H >X S+ 0 0 3 -4,-2.6 3,-1.5 1,-0.3 4,-0.9 0.904 102.2 59.4 -63.0 -41.7 12.3 20.1 39.9 24 27 A L H 3< S+ 0 0 12 -4,-2.2 -1,-0.3 1,-0.3 -2,-0.2 0.492 94.4 66.9 -67.7 -0.9 10.6 17.8 37.4 25 28 A E H <4 S+ 0 0 169 -3,-1.4 -1,-0.3 -4,-0.3 -2,-0.2 0.752 109.5 34.0 -87.6 -26.8 7.3 18.7 39.0 26 29 A E H << S+ 0 0 112 -3,-1.5 2,-0.3 -4,-0.5 -2,-0.2 0.442 118.2 46.7-108.6 -2.0 7.6 22.3 37.7 27 30 A V S < S- 0 0 6 -4,-0.9 -25,-0.2 1,-0.1 3,-0.1 -0.972 70.2-133.2-136.5 154.0 9.4 22.0 34.4 28 31 A D S S+ 0 0 102 -27,-1.8 2,-0.3 -2,-0.3 -26,-0.2 0.921 89.6 11.6 -71.3 -45.8 8.8 19.7 31.4 29 32 A E E -a 2 0A 51 -28,-1.5 -26,-2.3 2,-0.0 2,-0.4 -0.928 66.5-147.2-132.9 157.0 12.5 18.7 31.0 30 33 A L E -ac 3 70A 0 39,-2.5 41,-2.0 -2,-0.3 2,-0.7 -0.988 5.7-149.3-130.3 128.9 15.6 19.2 33.0 31 34 A I E -ac 4 71A 0 -28,-2.4 -26,-2.8 -2,-0.4 2,-0.7 -0.862 16.2-162.0 -93.2 122.3 19.2 19.7 31.7 32 35 A I E -ac 5 72A 0 39,-3.4 41,-2.1 -2,-0.7 2,-0.5 -0.907 4.6-162.4-108.7 105.3 21.5 18.1 34.3 33 36 A C E -ac 6 73A 0 -28,-3.2 -26,-2.2 -2,-0.7 2,-1.0 -0.784 11.4-145.4 -90.6 127.3 25.0 19.5 33.8 34 37 A I E -ac 7 74A 0 39,-1.6 41,-2.9 -2,-0.5 3,-0.4 -0.802 26.1-149.6 -91.1 103.9 27.8 17.5 35.4 35 38 A G S S+ 0 0 6 -28,-2.3 41,-0.1 -2,-1.0 42,-0.1 -0.159 70.8 27.4 -69.9 168.2 30.3 20.2 36.4 36 39 A S > + 0 0 11 39,-0.2 3,-1.5 1,-0.1 40,-0.2 0.871 69.2 167.6 46.0 45.3 34.0 19.8 36.6 37 40 A A T 3 + 0 0 19 38,-2.1 12,-0.7 -3,-0.4 39,-0.2 0.660 68.8 59.0 -62.2 -14.5 33.9 17.1 33.9 38 41 A Q T 3 S+ 0 0 79 37,-0.2 2,-0.3 10,-0.1 -1,-0.3 0.645 88.8 86.6 -91.3 -13.3 37.6 17.3 33.5 39 42 A L < + 0 0 66 -3,-1.5 2,-0.3 8,-0.1 3,-0.1 -0.683 48.4 141.6 -91.7 137.9 38.5 16.5 37.1 40 43 A S + 0 0 44 -2,-0.3 7,-0.2 8,-0.1 3,-0.1 -0.954 47.6 39.6-159.8 170.1 38.9 12.9 38.4 41 44 A H S S+ 0 0 91 5,-1.9 2,-0.3 -2,-0.3 6,-0.1 0.855 84.9 109.9 50.2 44.3 41.0 10.8 40.7 42 45 A S S S- 0 0 44 3,-1.0 -1,-0.2 -3,-0.1 120,-0.1 -0.892 81.6-104.8-136.2 168.9 41.3 13.3 43.5 43 46 A I S S+ 0 0 79 -2,-0.3 -2,-0.1 1,-0.2 -1,-0.1 0.842 121.7 37.6 -63.1 -37.1 39.9 13.4 47.0 44 47 A R S S+ 0 0 136 1,-0.2 -1,-0.2 -4,-0.1 -34,-0.1 0.740 130.3 30.8 -88.4 -22.5 37.2 16.0 46.1 45 48 A D + 0 0 6 1,-0.1 -3,-1.0 -5,-0.1 -1,-0.2 -0.630 66.8 159.2-137.7 75.3 36.6 14.6 42.6 46 49 A P + 0 0 0 0, 0.0 -5,-1.9 0, 0.0 2,-0.3 0.860 55.5 66.0 -65.0 -39.7 37.1 10.8 42.6 47 50 A F S S- 0 0 0 -7,-0.2 -8,-0.1 -6,-0.1 -5,-0.0 -0.678 75.6-124.1-100.6 143.6 35.0 9.9 39.5 48 51 A T > - 0 0 42 -2,-0.3 4,-1.9 1,-0.1 5,-0.2 -0.259 35.0-106.9 -70.8 163.9 35.4 10.7 35.8 49 52 A A H > S+ 0 0 15 -12,-0.7 4,-2.3 1,-0.2 5,-0.2 0.900 120.1 54.7 -59.8 -44.0 32.6 12.4 34.0 50 53 A G H > S+ 0 0 46 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.889 106.3 50.7 -59.1 -39.8 31.7 9.2 32.2 51 54 A E H > S+ 0 0 33 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.899 111.2 49.0 -65.2 -38.4 31.4 7.3 35.5 52 55 A R H X S+ 0 0 0 -4,-1.9 4,-2.6 2,-0.2 5,-0.2 0.848 104.6 58.1 -70.3 -34.2 29.1 10.0 36.8 53 56 A V H X S+ 0 0 36 -4,-2.3 4,-2.9 1,-0.2 -1,-0.2 0.926 108.9 47.2 -59.4 -42.1 27.0 9.8 33.6 54 57 A M H X S+ 0 0 70 -4,-1.7 4,-2.6 2,-0.2 5,-0.3 0.908 109.9 52.1 -65.6 -42.3 26.4 6.1 34.5 55 58 A M H X S+ 0 0 0 -4,-2.1 4,-1.9 2,-0.2 -2,-0.2 0.922 115.7 40.7 -59.3 -45.0 25.5 6.9 38.1 56 59 A L H X S+ 0 0 0 -4,-2.6 4,-2.8 2,-0.2 5,-0.3 0.947 116.0 49.7 -67.8 -50.3 22.9 9.5 37.0 57 60 A T H X S+ 0 0 50 -4,-2.9 4,-2.3 -5,-0.2 5,-0.2 0.937 114.8 42.4 -54.4 -54.7 21.6 7.4 34.1 58 61 A K H X S+ 0 0 62 -4,-2.6 4,-2.9 1,-0.2 -1,-0.2 0.917 116.3 48.9 -61.6 -45.6 21.1 4.2 36.1 59 62 A A H X S+ 0 0 0 -4,-1.9 4,-1.5 -5,-0.3 -2,-0.2 0.890 113.0 44.5 -63.0 -44.9 19.7 6.1 39.2 60 63 A L H <>S+ 0 0 0 -4,-2.8 5,-1.8 2,-0.2 3,-0.3 0.954 115.9 48.3 -66.4 -46.5 17.1 8.2 37.3 61 64 A S H ><5S+ 0 0 68 -4,-2.3 3,-1.9 -5,-0.3 -2,-0.2 0.942 110.8 51.0 -57.9 -48.2 16.1 5.1 35.2 62 65 A E H 3<5S+ 0 0 123 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.794 106.4 55.4 -62.0 -27.3 15.8 3.0 38.3 63 66 A N T 3<5S- 0 0 62 -4,-1.5 -1,-0.3 -3,-0.3 -2,-0.2 0.241 119.7-109.2 -89.7 14.0 13.6 5.7 40.0 64 67 A G T < 5 + 0 0 59 -3,-1.9 -3,-0.2 1,-0.2 -2,-0.1 0.442 68.5 145.2 77.6 1.0 11.2 5.6 37.1 65 68 A I < - 0 0 16 -5,-1.8 -1,-0.2 -6,-0.2 -2,-0.1 -0.634 53.1-119.2 -76.4 120.7 12.0 9.0 35.6 66 69 A P > - 0 0 69 0, 0.0 3,-1.9 0, 0.0 4,-0.2 -0.288 12.0-128.4 -59.7 139.3 11.7 8.7 31.8 67 70 A A G > S+ 0 0 72 1,-0.3 3,-1.5 2,-0.2 -2,-0.0 0.769 105.9 67.4 -60.3 -28.3 14.9 9.4 29.8 68 71 A S G 3 S+ 0 0 95 1,-0.3 -1,-0.3 -39,-0.0 -3,-0.0 0.590 88.5 69.3 -70.6 -8.0 13.0 11.9 27.6 69 72 A R G < S+ 0 0 72 -3,-1.9 -39,-2.5 -40,-0.1 2,-0.3 0.544 104.6 28.7 -88.9 -4.8 12.6 14.2 30.7 70 73 A Y E < -c 30 0A 26 -3,-1.5 2,-0.4 -41,-0.2 -39,-0.2 -0.968 57.4-140.6-152.8 167.7 16.3 15.1 30.9 71 74 A Y E -c 31 0A 78 -41,-2.0 -39,-3.4 -2,-0.3 2,-0.7 -0.994 14.1-152.6-128.0 134.0 19.7 15.7 29.3 72 75 A I E +c 32 0A 35 -2,-0.4 -39,-0.2 -41,-0.2 -41,-0.1 -0.933 23.1 171.7-109.7 114.4 22.9 14.6 30.9 73 76 A I E -c 33 0A 35 -41,-2.1 -39,-1.6 -2,-0.7 2,-0.2 -0.927 25.8-143.4-129.8 111.5 25.7 16.9 29.7 74 77 A P E -c 34 0A 60 0, 0.0 2,-0.4 0, 0.0 -39,-0.2 -0.518 20.6-163.9 -70.1 134.7 29.3 16.8 31.1 75 78 A V - 0 0 1 -41,-2.9 -38,-2.1 -2,-0.2 -37,-0.2 -0.973 10.4-141.4-125.8 119.6 30.7 20.3 31.3 76 79 A Q - 0 0 128 -2,-0.4 2,-0.1 -40,-0.2 -41,-0.0 -0.379 27.5-113.9 -71.8 154.2 34.4 21.1 31.7 77 80 A D - 0 0 61 -42,-0.1 2,-0.3 -2,-0.1 -1,-0.1 -0.419 27.3-152.0 -82.6 166.0 35.3 24.0 33.9 78 81 A I - 0 0 55 -2,-0.1 6,-0.1 1,-0.1 -42,-0.0 -0.952 20.9-121.3-135.6 157.3 37.0 27.1 32.5 79 82 A E S S+ 0 0 198 -2,-0.3 2,-0.9 1,-0.1 3,-0.1 0.809 94.4 70.4 -68.2 -34.2 39.4 29.7 34.2 80 83 A C >> - 0 0 69 1,-0.2 3,-1.8 2,-0.0 4,-0.6 -0.778 59.4-168.1 -94.9 104.7 37.2 32.7 33.6 81 84 A N H >> S+ 0 0 84 -2,-0.9 3,-1.1 1,-0.3 4,-0.5 0.830 85.6 69.1 -55.4 -33.0 34.1 32.8 35.7 82 85 A A H 34 S+ 0 0 91 1,-0.3 -1,-0.3 2,-0.1 4,-0.2 0.722 105.7 38.2 -62.6 -21.5 32.8 35.7 33.6 83 86 A L H <> S+ 0 0 111 -3,-1.8 4,-2.4 2,-0.1 -1,-0.3 0.458 88.5 95.4-105.8 -2.8 32.4 33.4 30.6 84 87 A W H S+ 0 0 42 1,-0.2 4,-2.4 -4,-0.2 -1,-0.2 0.885 109.1 56.4 -66.5 -34.5 28.1 31.5 28.1 87 90 A H H X S+ 0 0 34 -4,-2.4 4,-1.0 2,-0.2 -2,-0.2 0.938 109.1 45.4 -59.1 -46.9 30.1 28.3 28.2 88 91 A I H >X S+ 0 0 0 -4,-2.4 4,-0.8 1,-0.2 3,-0.7 0.926 111.6 52.5 -64.3 -44.0 27.1 26.4 29.6 89 92 A K H >< S+ 0 0 77 -4,-2.6 3,-1.0 1,-0.2 -1,-0.2 0.909 105.2 54.6 -57.7 -44.9 24.7 28.0 27.0 90 93 A M H 3< S+ 0 0 136 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.762 112.5 43.7 -60.7 -27.5 26.9 27.0 24.1 91 94 A L H << S+ 0 0 73 -4,-1.0 -1,-0.2 -3,-0.7 -2,-0.2 0.498 110.5 60.8 -99.2 -2.7 26.8 23.3 25.2 92 95 A T S << S- 0 0 21 -3,-1.0 3,-0.1 -4,-0.8 -61,-0.0 -0.738 81.4-101.6-128.4 168.2 23.1 23.0 26.0 93 96 A P - 0 0 33 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 -0.350 65.9 -76.1 -73.8 168.4 19.6 23.2 24.7 94 97 A P - 0 0 96 0, 0.0 2,-0.3 0, 0.0 -5,-0.0 -0.361 54.8-166.3 -65.7 147.6 17.8 26.5 25.7 95 98 A F - 0 0 10 -3,-0.1 -92,-0.2 1,-0.1 3,-0.1 -0.971 22.5-160.2-138.4 155.0 16.6 26.7 29.3 96 99 A D S S+ 0 0 85 -94,-3.4 19,-0.5 -2,-0.3 2,-0.3 0.708 76.1 26.4-102.5 -32.2 14.2 29.1 31.2 97 100 A R E -bd 3 115A 69 -95,-1.0 -93,-1.2 17,-0.1 2,-0.4 -0.972 63.5-146.5-135.8 152.9 15.1 28.6 34.8 98 101 A V E -bd 4 116A 0 17,-2.2 19,-2.9 -2,-0.3 2,-0.5 -0.970 9.2-156.2-121.6 132.0 18.3 27.6 36.7 99 102 A Y E +bd 5 117A 5 -95,-3.2 -93,-0.8 -2,-0.4 2,-0.3 -0.931 32.2 132.8-111.9 123.7 18.3 25.7 39.9 100 103 A S - 0 0 9 17,-1.9 -93,-0.1 -2,-0.5 -2,-0.1 -0.975 43.9-162.9-165.1 151.7 21.2 25.9 42.2 101 104 A G + 0 0 46 -2,-0.3 17,-0.1 17,-0.2 -1,-0.1 0.306 66.1 109.5-114.2 2.3 22.3 26.4 45.8 102 105 A N > - 0 0 78 1,-0.2 4,-3.1 2,-0.0 5,-0.2 -0.734 63.5-147.9 -83.6 112.6 25.9 27.3 44.8 103 106 A P H > S+ 0 0 95 0, 0.0 4,-3.1 0, 0.0 5,-0.2 0.874 97.2 49.3 -46.9 -48.5 26.4 31.1 45.5 104 107 A L H > S+ 0 0 84 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.956 113.1 45.8 -59.6 -51.6 28.8 31.4 42.6 105 108 A V H > S+ 0 0 14 1,-0.2 4,-2.2 2,-0.2 5,-0.3 0.910 114.7 49.2 -58.9 -41.6 26.5 29.7 40.1 106 109 A Q H X S+ 0 0 54 -4,-3.1 4,-2.2 2,-0.2 -2,-0.2 0.938 112.9 45.9 -63.2 -47.8 23.6 31.7 41.4 107 110 A R H X S+ 0 0 153 -4,-3.1 4,-3.0 -5,-0.2 5,-0.2 0.934 112.4 49.7 -62.8 -46.8 25.4 35.0 41.1 108 111 A L H X S+ 0 0 25 -4,-2.7 4,-1.4 1,-0.2 -1,-0.2 0.935 116.3 41.1 -58.6 -48.8 26.8 34.3 37.6 109 112 A F H <>S+ 0 0 0 -4,-2.2 5,-2.9 -5,-0.2 -1,-0.2 0.848 114.4 53.9 -68.6 -32.8 23.4 33.3 36.2 110 113 A S H ><5S+ 0 0 62 -4,-2.2 3,-2.2 -5,-0.3 -2,-0.2 0.951 107.1 49.0 -66.3 -47.9 21.7 36.1 38.0 111 114 A E H 3<5S+ 0 0 128 -4,-3.0 -1,-0.2 1,-0.3 -2,-0.2 0.825 106.8 58.9 -61.0 -29.1 24.1 38.7 36.6 112 115 A D T 3<5S- 0 0 72 -4,-1.4 -1,-0.3 -5,-0.2 -2,-0.2 0.491 125.8-102.8 -78.6 -1.8 23.3 37.2 33.2 113 116 A G T < 5S+ 0 0 55 -3,-2.2 2,-0.2 1,-0.3 -3,-0.2 0.566 73.6 141.9 94.9 9.1 19.6 37.9 33.7 114 117 A Y < - 0 0 53 -5,-2.9 2,-0.6 -6,-0.1 -1,-0.3 -0.592 56.5-116.8 -89.9 150.2 18.5 34.4 34.6 115 118 A E E -d 97 0A 112 -19,-0.5 -17,-2.2 -2,-0.2 2,-0.6 -0.721 35.1-160.4 -81.3 115.5 15.9 33.5 37.1 116 119 A V E -d 98 0A 43 -2,-0.6 2,-0.5 -19,-0.2 -17,-0.2 -0.901 9.6-170.2-109.2 124.2 17.7 31.5 39.8 117 120 A T E -d 99 0A 34 -19,-2.9 -17,-1.9 -2,-0.6 -2,-0.0 -0.938 15.6-142.2-111.6 124.0 15.9 29.1 42.1 118 121 A A - 0 0 56 -2,-0.5 -17,-0.2 -19,-0.2 -19,-0.1 -0.710 33.8-102.3 -84.9 133.9 17.7 27.6 45.1 119 122 A P 0 0 54 0, 0.0 -1,-0.1 0, 0.0 -100,-0.0 -0.241 360.0 360.0 -58.2 139.5 16.7 24.0 45.8 120 123 A P 0 0 160 0, 0.0 -98,-0.0 0, 0.0 -101,-0.0 -0.164 360.0 360.0 -45.4 360.0 14.3 23.5 48.8 121 ! 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 0.0 122 130 A Y 0 0 132 0, 0.0 2,-0.3 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 69.0 23.5 14.3 52.0 123 131 A S > - 0 0 49 1,-0.1 4,-2.4 -108,-0.0 5,-0.2 -0.979 360.0-123.5-149.7 141.7 26.6 16.1 50.6 124 132 A G H > S+ 0 0 16 -2,-0.3 4,-3.2 1,-0.2 5,-0.3 0.916 113.7 57.6 -53.7 -42.3 29.3 14.6 48.4 125 133 A T H > S+ 0 0 86 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.928 107.3 46.3 -52.9 -50.4 31.8 15.6 51.1 126 134 A E H > S+ 0 0 55 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.929 113.6 50.1 -59.1 -46.8 30.0 13.5 53.7 127 135 A V H X S+ 0 0 0 -4,-2.4 4,-1.8 1,-0.2 -2,-0.2 0.942 113.1 44.1 -58.0 -51.0 29.8 10.6 51.3 128 136 A R H X S+ 0 0 15 -4,-3.2 4,-1.8 -118,-0.2 -1,-0.2 0.842 111.2 55.5 -65.7 -31.4 33.5 10.7 50.3 129 137 A R H X S+ 0 0 133 -4,-2.3 4,-2.5 -5,-0.3 6,-0.2 0.892 108.7 47.2 -68.2 -38.4 34.5 11.1 54.0 130 138 A R H X>S+ 0 0 62 -4,-2.2 5,-2.2 2,-0.2 4,-0.5 0.832 108.5 55.0 -72.3 -31.1 32.5 7.9 54.9 131 139 A M H <5S+ 0 0 1 -4,-1.8 3,-0.4 -5,-0.2 -1,-0.2 0.915 113.9 42.4 -66.6 -38.9 34.0 6.0 52.0 132 140 A L H <5S+ 0 0 43 -4,-1.8 -2,-0.2 1,-0.2 -1,-0.2 0.890 119.6 40.6 -73.8 -41.1 37.5 6.9 53.4 133 141 A D H <5S- 0 0 102 -4,-2.5 -1,-0.2 -5,-0.1 -2,-0.2 0.287 111.9-112.7 -92.3 11.6 36.7 6.3 57.1 134 142 A D T <5 + 0 0 119 -4,-0.5 -3,-0.2 -3,-0.4 -4,-0.1 0.799 69.4 146.6 62.1 29.0 34.7 3.2 56.5 135 143 A G < - 0 0 33 -5,-2.2 2,-1.3 -6,-0.2 3,-0.3 -0.008 65.7 -72.0 -79.0-167.6 31.6 4.9 57.6 136 144 A D + 0 0 92 1,-0.2 4,-0.2 2,-0.1 -5,-0.1 -0.632 68.0 146.6 -93.4 82.1 28.1 4.3 56.3 137 145 A W > + 0 0 12 -2,-1.3 3,-1.6 -7,-0.2 4,-0.4 0.833 59.8 70.2 -82.5 -34.0 28.3 5.8 52.8 138 146 A R G > S+ 0 0 107 -3,-0.3 3,-1.5 1,-0.3 -1,-0.2 0.845 91.9 57.2 -53.1 -40.1 26.0 3.3 51.1 139 147 A S G 3 S+ 0 0 52 1,-0.3 -1,-0.3 -3,-0.0 -2,-0.1 0.713 99.9 60.4 -67.8 -19.2 22.8 4.5 52.8 140 148 A L G < S+ 0 0 16 -3,-1.6 -126,-2.7 -4,-0.2 -125,-0.3 0.554 102.6 63.5 -83.4 -7.7 23.4 8.1 51.5 141 149 A L S < S- 0 0 0 -3,-1.5 -128,-0.2 -4,-0.4 -129,-0.0 -0.866 89.7-103.5-123.0 151.5 23.2 6.9 47.9 142 150 A P >> - 0 0 4 0, 0.0 4,-1.8 0, 0.0 3,-0.5 -0.366 40.9-116.2 -62.7 150.4 20.6 5.3 45.6 143 151 A E H 3> S+ 0 0 113 1,-0.2 4,-2.3 2,-0.2 5,-0.1 0.809 113.9 60.4 -62.1 -30.3 21.3 1.6 45.2 144 152 A S H 3> S+ 0 0 10 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.903 106.3 48.2 -64.0 -36.1 22.0 1.9 41.5 145 153 A V H <> S+ 0 0 0 -3,-0.5 4,-2.8 2,-0.2 5,-0.2 0.923 108.4 52.5 -68.9 -43.8 24.8 4.4 42.3 146 154 A V H X S+ 0 0 1 -4,-1.8 4,-2.4 1,-0.2 -1,-0.2 0.932 108.7 53.6 -56.5 -43.1 26.3 2.1 45.0 147 155 A E H X S+ 0 0 123 -4,-2.3 4,-2.5 2,-0.2 -1,-0.2 0.898 107.8 47.7 -58.8 -45.7 26.3 -0.6 42.3 148 156 A V H X S+ 0 0 1 -4,-1.8 4,-2.0 1,-0.2 -1,-0.2 0.952 110.7 52.4 -62.8 -45.1 28.2 1.6 39.8 149 157 A I H X>S+ 0 0 1 -4,-2.8 5,-2.6 1,-0.2 4,-0.6 0.907 110.4 47.5 -58.0 -41.0 30.8 2.5 42.5 150 158 A D H ><5S+ 0 0 80 -4,-2.4 3,-1.1 -5,-0.2 -1,-0.2 0.942 110.5 53.2 -64.8 -44.2 31.3 -1.2 43.3 151 159 A E H 3<5S+ 0 0 132 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.803 115.2 39.1 -60.1 -32.7 31.7 -2.0 39.5 152 160 A I H 3<5S- 0 0 33 -4,-2.0 -1,-0.2 -5,-0.1 -2,-0.2 0.376 110.1-118.0-101.2 5.2 34.4 0.6 39.0 153 161 A N T < + 0 0 0 -5,-2.6 4,-2.7 1,-0.2 5,-0.2 0.853 70.0 46.8 -53.0 -45.0 35.5 3.5 43.5 155 163 A V H > S+ 0 0 31 -6,-0.3 4,-2.7 2,-0.2 5,-0.2 0.920 110.2 53.2 -66.4 -41.4 36.3 3.0 47.2 156 164 A E H > S+ 0 0 133 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.884 112.0 47.8 -58.4 -40.7 39.5 1.2 46.3 157 165 A R H X S+ 0 0 42 -4,-2.1 4,-2.3 2,-0.2 -2,-0.2 0.967 111.7 46.8 -66.1 -53.7 40.4 4.2 44.2 158 166 A I H X S+ 0 0 0 -4,-2.7 4,-1.6 1,-0.2 -2,-0.2 0.866 113.1 50.1 -59.1 -38.2 39.6 6.9 46.8 159 167 A K H < S+ 0 0 85 -4,-2.7 -1,-0.2 2,-0.2 -2,-0.2 0.941 110.4 48.4 -68.3 -43.9 41.4 5.0 49.5 160 168 A H H < S+ 0 0 168 -4,-2.0 -2,-0.2 -5,-0.2 -1,-0.2 0.916 111.1 51.5 -62.5 -40.0 44.6 4.5 47.5 161 169 A L H < 0 0 77 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.844 360.0 360.0 -63.1 -35.9 44.6 8.2 46.5 162 170 A A < 0 0 87 -4,-1.6 -1,-0.3 -5,-0.2 -2,-0.2 0.527 360.0 360.0 -77.2 360.0 44.2 9.2 50.2