==== 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 24-JUL-02 1M8G . COMPND 2 MOLECULE: NICOTINAMIDE-NUCLEOTIDE ADENYLYLTRANSFERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: METHANOTHERMOBACTER THERMAUTOTROPHICUS . AUTHOR V.SARIDAKIS,E.F.PAI . 167 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8758.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 117 70.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 20 12.0 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 . 10 6.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 17 10.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 58 34.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 2.4 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 0 0 0 0 1 2 2 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 1 1 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 0 113 0, 0.0 27,-2.2 0, 0.0 28,-1.7 0.000 360.0 360.0 360.0 112.9 9.0 24.3 30.2 2 5 A R E -a 29 0A 61 26,-0.2 94,-2.8 25,-0.2 95,-1.2 -0.961 360.0-164.1-122.8 132.6 12.6 23.2 30.8 3 6 A G E -ab 30 97A 0 26,-2.4 28,-2.9 -2,-0.4 2,-0.4 -0.589 10.6-137.1-107.1 172.2 14.7 23.6 33.9 4 7 A L E -ab 31 98A 0 93,-1.5 95,-2.9 26,-0.2 2,-0.4 -0.994 16.3-179.4-135.5 129.2 18.4 23.4 34.5 5 8 A L E -ab 32 99A 16 26,-3.0 28,-2.8 -2,-0.4 2,-0.4 -0.997 7.6-167.7-127.2 130.8 20.2 21.7 37.4 6 9 A V E +a 33 0A 22 93,-0.6 2,-0.3 -2,-0.4 28,-0.2 -0.959 19.1 145.9-121.1 136.6 24.0 21.7 37.7 7 10 A G E -a 34 0A 16 26,-2.4 28,-1.8 -2,-0.4 5,-0.0 -0.985 52.0-127.0-164.5 154.9 26.1 19.5 40.1 8 11 A K - 0 0 87 -2,-0.3 4,-0.1 26,-0.2 -1,-0.1 0.853 35.5-156.2 -72.4 -34.0 29.4 17.6 40.5 9 12 A M > - 0 0 3 2,-0.2 3,-0.7 1,-0.2 46,-0.1 0.960 15.7-177.2 55.7 54.5 27.4 14.5 41.5 10 13 A Q T 3 S- 0 0 4 1,-0.7 123,-0.2 34,-0.1 -1,-0.2 -0.602 87.7 -11.9-115.3 70.6 30.5 13.1 43.4 11 14 A P T 3 S- 0 0 0 0, 0.0 -1,-0.7 0, 0.0 2,-0.4 0.631 92.2-114.5-100.7-178.6 28.6 10.9 43.8 12 15 A F < - 0 0 0 -3,-0.7 2,-0.2 -4,-0.1 138,-0.1 -0.538 47.7-176.1 -66.9 121.9 24.9 11.2 43.0 13 16 A H > - 0 0 11 -2,-0.4 4,-1.9 133,-0.2 3,-0.4 -0.581 42.0 -90.1-118.2-178.5 23.1 10.9 46.3 14 17 A R H > S+ 0 0 84 131,-2.6 4,-2.4 1,-0.2 5,-0.2 0.789 122.1 58.9 -60.4 -30.2 19.6 10.8 47.8 15 18 A G H > S+ 0 0 10 130,-0.3 4,-2.2 2,-0.2 -1,-0.2 0.911 105.9 49.1 -65.5 -41.1 19.5 14.5 48.2 16 19 A H H > S+ 0 0 36 -3,-0.4 4,-2.2 2,-0.2 -2,-0.2 0.930 110.9 49.8 -61.8 -47.6 20.1 14.9 44.4 17 20 A L H X S+ 0 0 9 -4,-1.9 4,-2.3 1,-0.2 -2,-0.2 0.926 110.8 49.6 -58.8 -46.7 17.3 12.4 43.6 18 21 A Q H X S+ 0 0 74 -4,-2.4 4,-2.1 1,-0.2 -1,-0.2 0.919 111.3 47.2 -60.6 -46.8 14.8 14.2 45.9 19 22 A V H X S+ 0 0 30 -4,-2.2 4,-2.4 1,-0.2 -1,-0.2 0.889 111.3 52.9 -64.6 -36.2 15.4 17.6 44.5 20 23 A I H X S+ 0 0 1 -4,-2.2 4,-2.4 -5,-0.2 -1,-0.2 0.921 107.8 50.3 -64.9 -43.2 15.2 16.3 40.9 21 24 A K H < S+ 0 0 80 -4,-2.3 -2,-0.2 2,-0.2 -1,-0.2 0.930 112.1 46.8 -60.4 -46.9 11.8 14.7 41.6 22 25 A S H >< S+ 0 0 34 -4,-2.1 3,-1.6 1,-0.2 4,-0.3 0.919 111.9 51.1 -62.6 -42.6 10.4 17.9 43.1 23 26 A I H >X S+ 0 0 1 -4,-2.4 3,-2.2 1,-0.3 4,-1.1 0.902 101.8 61.3 -60.8 -40.9 11.7 19.9 40.2 24 27 A L T 3< S+ 0 0 14 -4,-2.4 -1,-0.3 1,-0.3 -2,-0.2 0.506 94.6 65.2 -65.5 -2.3 10.1 17.5 37.7 25 28 A E T <4 S+ 0 0 166 -3,-1.6 -1,-0.3 -4,-0.2 -2,-0.2 0.589 110.6 33.6 -94.0 -13.8 6.8 18.5 39.3 26 29 A E T <4 S+ 0 0 108 -3,-2.2 2,-0.3 -4,-0.3 -2,-0.2 0.465 118.0 50.1-118.4 -6.4 7.1 22.1 38.0 27 30 A V < - 0 0 5 -4,-1.1 -25,-0.2 1,-0.1 3,-0.1 -0.933 67.8-138.1-130.7 156.3 8.9 21.6 34.7 28 31 A D S S+ 0 0 104 -27,-2.2 2,-0.3 -2,-0.3 -26,-0.2 0.883 90.5 13.5 -78.6 -42.3 8.4 19.3 31.7 29 32 A E E -a 2 0A 50 -28,-1.7 -26,-2.4 2,-0.0 2,-0.5 -0.969 67.7-147.0-135.2 151.2 12.0 18.4 31.2 30 33 A L E -ac 3 70A 0 39,-2.4 41,-1.9 -2,-0.3 2,-0.6 -0.976 6.6-148.9-123.8 123.2 15.1 18.9 33.3 31 34 A I E -ac 4 71A 0 -28,-2.9 -26,-3.0 -2,-0.5 2,-0.7 -0.807 16.9-163.0 -87.3 123.6 18.6 19.5 31.9 32 35 A I E -ac 5 72A 0 39,-3.6 41,-2.1 -2,-0.6 2,-0.5 -0.896 2.7-165.5-114.1 104.2 21.1 17.9 34.3 33 36 A C E -ac 6 73A 0 -28,-2.8 -26,-2.4 -2,-0.7 2,-1.0 -0.762 12.7-147.8 -91.5 126.0 24.6 19.2 33.9 34 37 A I E -ac 7 74A 0 39,-1.6 41,-2.9 -2,-0.5 3,-0.3 -0.814 26.7-153.6 -91.6 102.4 27.4 17.2 35.5 35 38 A G + 0 0 7 -28,-1.8 41,-0.2 -2,-1.0 42,-0.1 -0.174 69.7 33.2 -72.2 170.0 29.9 19.9 36.3 36 39 A S > + 0 0 6 39,-0.4 3,-1.2 1,-0.1 40,-0.2 0.900 69.2 164.0 49.3 44.5 33.6 19.5 36.7 37 40 A A T 3 + 0 0 18 38,-1.9 12,-0.7 -3,-0.3 39,-0.2 0.633 67.2 60.2 -67.0 -13.5 33.4 16.8 34.1 38 41 A Q T 3 S+ 0 0 79 37,-0.2 2,-0.3 10,-0.1 -1,-0.3 0.646 89.8 85.7 -88.9 -16.5 37.2 17.0 33.6 39 42 A L < + 0 0 64 -3,-1.2 2,-0.3 8,-0.1 10,-0.1 -0.650 47.6 138.2 -91.2 142.2 38.0 16.1 37.2 40 43 A S + 0 0 45 -2,-0.3 7,-0.2 8,-0.1 5,-0.1 -0.952 48.1 42.8-165.4 169.3 38.4 12.5 38.5 41 44 A H S S+ 0 0 92 5,-2.0 2,-0.3 -2,-0.3 6,-0.1 0.839 82.3 110.0 51.9 44.9 40.6 10.5 40.8 42 45 A S S S- 0 0 40 3,-0.9 -1,-0.2 1,-0.1 125,-0.1 -0.928 80.3-109.7-137.8 160.2 41.0 13.0 43.6 43 46 A I S S+ 0 0 51 -2,-0.3 -2,-0.1 1,-0.2 124,-0.1 0.838 120.9 39.2 -62.3 -34.0 39.5 12.8 47.1 44 47 A R S S+ 0 0 168 1,-0.2 -1,-0.2 -4,-0.1 89,-0.1 0.773 131.2 27.8 -85.5 -28.2 37.1 15.6 46.4 45 48 A D S S+ 0 0 10 1,-0.1 -3,-0.9 -5,-0.1 -1,-0.2 -0.662 71.0 155.3-133.5 77.2 36.3 14.5 42.8 46 49 A P + 0 0 0 0, 0.0 -5,-2.0 0, 0.0 2,-0.3 0.850 51.4 69.6 -73.4 -36.1 36.8 10.7 42.7 47 50 A F S S- 0 0 0 -7,-0.2 -8,-0.1 -6,-0.1 -5,-0.0 -0.647 75.6-124.0 -95.8 142.3 34.6 9.7 39.8 48 51 A T > - 0 0 42 -2,-0.3 4,-2.0 1,-0.1 5,-0.2 -0.277 32.1-108.6 -71.3 163.3 34.9 10.4 36.0 49 52 A A H > S+ 0 0 15 -12,-0.7 4,-2.2 1,-0.2 5,-0.1 0.896 120.2 54.3 -59.1 -41.8 32.1 12.1 34.2 50 53 A G H > S+ 0 0 45 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.880 106.7 49.5 -60.9 -40.4 31.3 8.8 32.4 51 54 A E H > S+ 0 0 31 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.892 111.6 50.0 -66.7 -37.5 30.9 7.0 35.7 52 55 A R H X S+ 0 0 0 -4,-2.0 4,-2.7 2,-0.2 -2,-0.2 0.856 104.1 58.1 -69.5 -34.1 28.6 9.7 37.0 53 56 A V H X S+ 0 0 36 -4,-2.2 4,-2.7 1,-0.2 -1,-0.2 0.923 108.6 47.0 -60.6 -42.0 26.5 9.5 33.8 54 57 A M H X S+ 0 0 79 -4,-1.7 4,-2.8 2,-0.2 5,-0.3 0.903 109.6 53.3 -65.9 -41.2 25.9 5.9 34.7 55 58 A M H X S+ 0 0 0 -4,-2.0 4,-2.2 2,-0.2 -2,-0.2 0.945 114.1 41.8 -58.4 -49.9 25.1 6.7 38.3 56 59 A L H X S+ 0 0 0 -4,-2.7 4,-2.9 2,-0.2 5,-0.3 0.947 115.3 50.3 -61.7 -50.9 22.5 9.3 37.2 57 60 A T H X S+ 0 0 44 -4,-2.7 4,-2.1 -5,-0.2 5,-0.2 0.909 114.4 42.6 -54.5 -51.2 21.1 7.1 34.4 58 61 A K H X S+ 0 0 101 -4,-2.8 4,-3.1 2,-0.2 -1,-0.2 0.928 116.0 49.2 -64.4 -46.2 20.6 4.0 36.6 59 62 A A H X S+ 0 0 0 -4,-2.2 4,-1.6 -5,-0.3 -2,-0.2 0.926 113.9 43.5 -60.6 -49.3 19.2 6.0 39.5 60 63 A L H <>S+ 0 0 0 -4,-2.9 5,-2.3 2,-0.2 -1,-0.2 0.918 117.6 46.3 -63.8 -43.2 16.7 7.9 37.5 61 64 A S H ><5S+ 0 0 81 -4,-2.1 3,-2.0 -5,-0.3 -2,-0.2 0.917 109.5 54.7 -64.3 -43.6 15.6 4.8 35.6 62 65 A E H 3<5S+ 0 0 95 -4,-3.1 -1,-0.2 1,-0.3 -2,-0.2 0.829 107.1 52.2 -58.7 -33.2 15.5 2.8 38.9 63 66 A N T 3<5S- 0 0 52 -4,-1.6 -1,-0.3 -5,-0.2 -2,-0.2 0.189 119.2-110.5 -91.0 16.6 13.1 5.5 40.2 64 67 A G T < 5 + 0 0 59 -3,-2.0 -3,-0.2 1,-0.2 -2,-0.1 0.593 66.1 148.4 68.6 12.1 10.8 5.2 37.2 65 68 A I < - 0 0 18 -5,-2.3 -1,-0.2 -6,-0.2 -2,-0.1 -0.709 51.4-119.6 -81.9 117.6 11.6 8.7 35.8 66 69 A P > - 0 0 70 0, 0.0 3,-2.1 0, 0.0 4,-0.1 -0.297 9.8-131.9 -58.6 136.1 11.3 8.4 32.0 67 70 A A G > S+ 0 0 69 1,-0.3 3,-1.4 2,-0.2 -2,-0.0 0.741 104.1 69.6 -60.2 -24.2 14.5 9.2 30.1 68 71 A S G 3 S+ 0 0 94 1,-0.3 -1,-0.3 -39,-0.0 3,-0.0 0.597 90.3 64.3 -72.4 -7.2 12.5 11.5 27.8 69 72 A R G < S+ 0 0 74 -3,-2.1 -39,-2.4 -40,-0.1 2,-0.3 0.419 105.6 35.3 -96.3 2.0 12.1 13.9 30.8 70 73 A Y E < -c 30 0A 25 -3,-1.4 2,-0.4 -41,-0.2 -39,-0.2 -0.987 58.1-143.8-154.0 162.0 15.8 14.8 31.2 71 74 A Y E -c 31 0A 76 -41,-1.9 -39,-3.6 -2,-0.3 2,-0.7 -0.993 12.1-154.4-127.0 131.9 19.2 15.4 29.6 72 75 A I E +c 32 0A 35 -2,-0.4 -39,-0.2 -41,-0.2 -41,-0.1 -0.932 22.6 172.9-109.7 110.1 22.5 14.3 31.1 73 76 A I E -c 33 0A 34 -41,-2.1 -39,-1.6 -2,-0.7 2,-0.2 -0.947 25.6-141.1-126.1 115.1 25.2 16.6 29.9 74 77 A P E -c 34 0A 60 0, 0.0 2,-0.4 0, 0.0 -39,-0.2 -0.500 20.4-166.6 -69.8 136.4 28.8 16.6 31.2 75 78 A V - 0 0 2 -41,-2.9 -38,-1.9 -2,-0.2 -39,-0.4 -0.963 11.1-144.0-131.1 116.4 30.3 20.1 31.4 76 79 A Q - 0 0 126 -2,-0.4 2,-0.1 -40,-0.2 -41,-0.0 -0.402 29.0-110.4 -71.8 154.4 34.0 20.7 31.9 77 80 A D - 0 0 62 -42,-0.1 2,-0.3 -2,-0.1 -1,-0.1 -0.430 31.1-150.5 -81.0 162.2 34.9 23.6 34.1 78 81 A I - 0 0 57 -2,-0.1 6,-0.1 1,-0.1 5,-0.0 -0.922 21.5-118.1-131.7 160.3 36.5 26.8 32.6 79 82 A E S S+ 0 0 192 -2,-0.3 2,-0.7 1,-0.1 3,-0.1 0.804 95.1 65.9 -67.6 -33.8 38.8 29.4 33.9 80 83 A C >> - 0 0 59 1,-0.2 3,-1.9 2,-0.0 4,-0.7 -0.813 56.3-168.9-100.7 108.8 36.5 32.4 33.6 81 84 A N H >> S+ 0 0 87 -2,-0.7 3,-0.9 1,-0.3 4,-0.6 0.831 89.0 66.9 -59.0 -30.3 33.5 32.5 35.8 82 85 A A H 34 S+ 0 0 93 1,-0.2 -1,-0.3 2,-0.1 4,-0.2 0.690 106.5 39.8 -64.9 -18.5 32.3 35.4 33.7 83 86 A L H <> S+ 0 0 110 -3,-1.9 4,-2.3 2,-0.1 -1,-0.2 0.462 90.2 92.6-107.4 -4.6 31.9 33.1 30.7 84 87 A W H S+ 0 0 41 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.881 109.0 55.5 -63.9 -37.6 27.5 31.3 28.3 87 90 A H H X S+ 0 0 35 -4,-2.3 4,-1.1 2,-0.2 -2,-0.2 0.920 109.8 45.5 -59.6 -46.8 29.5 28.0 28.4 88 91 A I H >X S+ 0 0 0 -4,-2.6 4,-0.9 1,-0.2 3,-0.7 0.933 111.3 52.0 -64.5 -46.0 26.5 26.1 29.8 89 92 A K H >< S+ 0 0 80 -4,-2.5 3,-0.7 1,-0.2 -1,-0.2 0.894 106.3 55.5 -56.0 -43.3 24.1 27.8 27.3 90 93 A M H 3< S+ 0 0 136 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.761 113.2 40.1 -61.0 -31.0 26.4 26.7 24.4 91 94 A L H << S+ 0 0 69 -4,-1.1 -1,-0.2 -3,-0.7 -2,-0.2 0.467 111.8 62.5-100.5 -2.3 26.3 23.0 25.4 92 95 A T S << S- 0 0 20 -4,-0.9 3,-0.1 -3,-0.7 -61,-0.0 -0.724 81.9-101.2-125.5 169.5 22.6 22.7 26.4 93 96 A P - 0 0 31 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 -0.337 64.5 -76.5 -75.0 169.1 19.0 23.0 25.0 94 97 A P - 0 0 100 0, 0.0 2,-0.3 0, 0.0 -5,-0.0 -0.383 54.8-163.8 -68.4 148.9 17.2 26.2 25.9 95 98 A F - 0 0 13 1,-0.1 -92,-0.2 -3,-0.1 3,-0.1 -0.986 24.5-159.9-138.9 150.4 16.0 26.5 29.5 96 99 A D S S+ 0 0 88 -94,-2.8 19,-0.5 -2,-0.3 2,-0.3 0.759 76.7 25.0 -95.1 -34.3 13.5 28.7 31.4 97 100 A R E -b 3 0A 50 -95,-1.2 -93,-1.5 17,-0.1 2,-0.5 -0.986 61.4-144.3-138.6 150.4 14.6 28.3 35.1 98 101 A V E -bd 4 116A 1 17,-1.9 19,-3.0 -2,-0.3 2,-0.5 -0.944 10.5-161.4-115.8 128.6 17.7 27.4 37.0 99 102 A Y E +bd 5 117A 1 -95,-2.9 -93,-0.6 -2,-0.5 2,-0.3 -0.950 30.2 137.4-111.9 121.8 17.6 25.4 40.2 100 103 A S - 0 0 6 17,-2.3 -93,-0.1 -2,-0.5 -2,-0.1 -0.968 44.1-163.4-164.2 145.6 20.7 25.6 42.4 101 104 A G + 0 0 52 -2,-0.3 17,-0.1 17,-0.1 -1,-0.1 0.346 67.3 107.7-107.7 1.4 21.8 25.8 46.0 102 105 A N > - 0 0 79 1,-0.1 4,-2.7 2,-0.0 5,-0.2 -0.722 64.5-147.0 -85.2 117.5 25.3 26.8 45.0 103 106 A P H > S+ 0 0 93 0, 0.0 4,-2.7 0, 0.0 5,-0.2 0.875 96.6 48.5 -49.9 -47.6 26.0 30.6 45.7 104 107 A L H > S+ 0 0 81 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.952 112.8 47.0 -61.6 -50.6 28.3 31.0 42.7 105 108 A V H > S+ 0 0 15 1,-0.2 4,-2.2 2,-0.2 5,-0.3 0.909 113.4 50.3 -57.6 -42.9 26.0 29.3 40.3 106 109 A Q H X S+ 0 0 56 -4,-2.7 4,-2.4 1,-0.2 -2,-0.2 0.941 112.7 44.8 -61.1 -50.0 23.1 31.4 41.6 107 110 A R H X S+ 0 0 152 -4,-2.7 4,-2.6 -5,-0.2 -2,-0.2 0.880 112.3 51.4 -64.5 -40.0 24.9 34.7 41.3 108 111 A L H X S+ 0 0 25 -4,-2.6 4,-1.3 -5,-0.2 -1,-0.2 0.956 115.8 40.0 -63.4 -50.7 26.2 34.1 37.8 109 112 A F H <>S+ 0 0 0 -4,-2.2 5,-2.6 -5,-0.2 4,-0.3 0.881 114.2 55.2 -67.1 -35.4 22.8 33.1 36.4 110 113 A S H ><5S+ 0 0 64 -4,-2.4 3,-1.9 -5,-0.3 -2,-0.2 0.949 107.4 48.4 -61.0 -49.6 21.1 35.9 38.4 111 114 A E H 3<5S+ 0 0 129 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.798 107.1 58.3 -61.2 -27.8 23.5 38.5 36.9 112 115 A D T 3<5S- 0 0 78 -4,-1.3 -1,-0.3 -5,-0.2 -2,-0.2 0.485 125.3-100.8 -82.1 -2.3 22.8 37.1 33.4 113 116 A G T < 5S+ 0 0 67 -3,-1.9 2,-0.3 1,-0.3 -3,-0.2 0.601 75.6 137.4 96.7 11.9 19.0 37.7 33.9 114 117 A Y < - 0 0 56 -5,-2.6 2,-0.5 -6,-0.1 -1,-0.3 -0.676 56.9-119.3 -95.1 147.8 17.8 34.2 34.8 115 118 A E - 0 0 130 -19,-0.5 -17,-1.9 -2,-0.3 2,-0.5 -0.715 34.2-159.7 -81.1 127.7 15.3 33.4 37.5 116 119 A V E -d 98 0A 43 -2,-0.5 2,-0.4 -19,-0.2 -17,-0.2 -0.956 7.7-162.6-118.4 128.0 17.1 31.2 40.0 117 120 A T E -d 99 0A 37 -19,-3.0 -17,-2.3 -2,-0.5 -20,-0.0 -0.895 7.5-156.2-109.3 134.5 15.3 28.9 42.5 118 121 A A - 0 0 60 -2,-0.4 -17,-0.1 -19,-0.2 3,-0.1 -0.850 20.8-146.7-109.9 93.1 17.0 27.5 45.5 119 122 A P - 0 0 21 0, 0.0 -100,-0.1 0, 0.0 3,-0.0 -0.147 31.8 -88.3 -56.3 152.7 15.1 24.3 46.4 120 123 A P - 0 0 123 0, 0.0 2,-0.3 0, 0.0 -19,-0.0 -0.372 49.5-107.4 -62.7 142.4 14.8 23.4 50.1 121 124 A L - 0 0 120 -3,-0.1 2,-0.9 1,-0.1 3,-0.2 -0.573 24.4-140.7 -77.0 132.5 17.7 21.2 51.3 122 125 A F S S- 0 0 82 -2,-0.3 5,-0.2 1,-0.2 4,-0.1 -0.811 76.1 -34.2 -96.9 101.0 16.9 17.6 51.9 123 126 A Y S >> S- 0 0 130 -2,-0.9 4,-3.0 1,-0.1 3,-2.7 0.908 72.1-175.6 53.4 49.3 18.8 16.4 55.0 124 127 A R T 34 S+ 0 0 159 1,-0.3 -1,-0.1 2,-0.2 -2,-0.1 0.637 74.3 67.7 -49.5 -17.5 21.8 18.6 54.3 125 128 A D T 34 S+ 0 0 113 1,-0.1 -1,-0.3 6,-0.0 3,-0.1 0.700 121.2 12.4 -78.8 -20.0 23.6 17.0 57.3 126 129 A R T <4 S+ 0 0 95 -3,-2.7 2,-1.6 -4,-0.1 -2,-0.2 0.631 114.2 73.8-124.4 -34.9 23.9 13.6 55.6 127 130 A Y S < S+ 0 0 41 -4,-3.0 2,-0.3 -5,-0.2 -5,-0.1 -0.558 73.5 104.6 -88.2 75.7 22.9 14.1 52.0 128 131 A S S > S- 0 0 35 -2,-1.6 4,-2.4 -3,-0.1 5,-0.2 -0.989 75.8-120.7-150.2 147.7 26.1 15.9 50.7 129 132 A G H > S+ 0 0 16 -2,-0.3 4,-2.6 1,-0.2 5,-0.3 0.892 113.0 56.6 -56.2 -40.3 29.0 14.8 48.6 130 133 A T H > S+ 0 0 76 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.911 109.1 43.9 -58.8 -46.8 31.4 15.7 51.4 131 134 A E H > S+ 0 0 35 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.937 112.7 52.3 -66.0 -46.4 29.6 13.4 53.9 132 135 A V H X S+ 0 0 0 -4,-2.4 4,-2.1 1,-0.2 -2,-0.2 0.947 113.2 43.4 -53.8 -52.9 29.3 10.5 51.5 133 136 A R H X S+ 0 0 32 -4,-2.6 4,-1.9 -123,-0.2 -1,-0.2 0.829 111.2 55.6 -64.6 -31.9 33.0 10.6 50.6 134 137 A R H X S+ 0 0 130 -4,-1.8 4,-2.5 -5,-0.3 -1,-0.2 0.914 109.7 46.1 -66.5 -41.9 34.0 11.0 54.3 135 138 A R H X>S+ 0 0 51 -4,-2.5 5,-3.0 2,-0.2 4,-0.5 0.865 108.9 55.1 -68.8 -36.3 32.1 7.9 55.2 136 139 A M H <5S+ 0 0 0 -4,-2.1 3,-0.4 -5,-0.2 -1,-0.2 0.915 114.4 41.6 -62.0 -41.2 33.6 5.9 52.3 137 140 A L H <5S+ 0 0 42 -4,-1.9 -2,-0.2 1,-0.2 -1,-0.2 0.877 120.6 40.0 -74.1 -40.1 37.0 6.9 53.6 138 141 A D H <5S- 0 0 116 -4,-2.5 -1,-0.2 -5,-0.1 -2,-0.2 0.231 113.8-110.5 -95.2 14.3 36.4 6.3 57.3 139 142 A D T <5 + 0 0 118 -4,-0.5 -3,-0.2 -3,-0.4 -4,-0.1 0.848 68.3 148.3 61.0 36.6 34.3 3.2 56.8 140 143 A G < - 0 0 34 -5,-3.0 2,-1.4 -6,-0.2 3,-0.3 -0.162 64.4 -76.1 -86.2-171.9 31.1 4.9 57.8 141 144 A D + 0 0 90 1,-0.2 4,-0.2 2,-0.1 -5,-0.1 -0.634 66.2 148.0 -92.0 82.6 27.6 4.1 56.4 142 145 A W > + 0 0 10 -2,-1.4 3,-1.1 -7,-0.2 4,-0.5 0.763 60.2 72.0 -83.5 -27.3 27.8 5.8 53.0 143 146 A R G > S+ 0 0 116 -3,-0.3 3,-1.3 1,-0.3 -1,-0.2 0.853 91.1 56.4 -57.8 -38.8 25.5 3.2 51.3 144 147 A S G 3 S+ 0 0 51 1,-0.2 -1,-0.3 -3,-0.1 -2,-0.1 0.730 100.9 60.4 -68.3 -19.4 22.3 4.5 53.1 145 148 A L G < S+ 0 0 4 -3,-1.1 -131,-2.6 -4,-0.2 -130,-0.3 0.605 101.9 61.9 -82.5 -11.7 23.0 7.9 51.7 146 149 A L S < S- 0 0 0 -3,-1.3 -133,-0.2 -4,-0.5 5,-0.1 -0.860 91.2-100.9-120.7 151.2 22.8 6.8 48.0 147 150 A P >> - 0 0 2 0, 0.0 4,-1.7 0, 0.0 3,-0.9 -0.338 42.6-113.3 -60.4 149.3 20.1 5.2 45.8 148 151 A E H 3> S+ 0 0 110 1,-0.3 4,-2.0 2,-0.2 5,-0.1 0.854 115.8 58.1 -54.3 -39.2 20.8 1.4 45.6 149 152 A S H 3> S+ 0 0 5 1,-0.2 4,-1.6 2,-0.2 -1,-0.3 0.839 104.6 51.5 -62.1 -32.6 21.6 1.7 41.9 150 153 A V H <> S+ 0 0 0 -3,-0.9 4,-2.7 2,-0.2 -1,-0.2 0.912 106.2 53.5 -71.1 -41.8 24.4 4.2 42.6 151 154 A V H X S+ 0 0 7 -4,-1.7 4,-2.5 1,-0.2 -2,-0.2 0.912 107.6 52.6 -57.7 -42.2 25.9 1.9 45.2 152 155 A E H X S+ 0 0 125 -4,-2.0 4,-2.5 2,-0.2 -1,-0.2 0.883 108.7 49.3 -61.5 -40.5 25.9 -0.9 42.6 153 156 A V H X S+ 0 0 13 -4,-1.6 4,-2.2 2,-0.2 -2,-0.2 0.954 111.7 48.4 -63.2 -49.4 27.8 1.4 40.1 154 157 A I H <>S+ 0 0 1 -4,-2.7 5,-2.8 1,-0.2 6,-0.3 0.883 112.0 49.4 -58.7 -40.3 30.3 2.3 42.8 155 158 A D H ><5S+ 0 0 77 -4,-2.5 3,-1.3 -5,-0.2 -1,-0.2 0.946 110.7 51.1 -64.0 -46.9 30.9 -1.3 43.7 156 159 A E H 3<5S+ 0 0 150 -4,-2.5 -2,-0.2 1,-0.3 -1,-0.2 0.824 114.4 41.3 -60.3 -37.1 31.3 -2.2 40.0 157 160 A I T 3<5S- 0 0 44 -4,-2.2 -1,-0.3 -5,-0.1 -2,-0.2 0.344 110.8-118.8 -95.0 8.4 33.9 0.4 39.3 158 161 A N T <>5 + 0 0 88 -3,-1.3 4,-2.2 -4,-0.3 -3,-0.2 0.862 51.8 166.0 58.0 39.0 35.7 -0.2 42.7 159 162 A G H >< + 0 0 0 -5,-2.8 4,-2.4 1,-0.2 5,-0.2 0.845 69.1 48.5 -53.7 -41.7 35.0 3.4 43.8 160 163 A V H > S+ 0 0 31 -6,-0.3 4,-2.5 2,-0.2 5,-0.3 0.921 109.7 50.9 -69.2 -43.0 35.8 2.8 47.4 161 164 A E H > S+ 0 0 139 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.901 112.7 49.7 -59.7 -38.7 39.1 1.1 46.7 162 165 A R H X S+ 0 0 45 -4,-2.2 4,-2.6 2,-0.2 -2,-0.2 0.976 112.5 43.2 -63.3 -57.3 40.0 4.0 44.4 163 166 A I H X S+ 0 0 0 -4,-2.4 4,-1.1 1,-0.2 -2,-0.2 0.850 114.6 51.4 -61.0 -34.9 39.2 6.8 46.9 164 167 A K H < S+ 0 0 85 -4,-2.5 3,-0.3 -5,-0.2 -1,-0.2 0.918 110.1 48.6 -68.9 -41.6 40.9 4.9 49.8 165 168 A H H < S+ 0 0 170 -4,-2.1 -2,-0.2 -5,-0.3 -1,-0.2 0.940 110.1 52.0 -62.7 -44.4 44.1 4.4 47.8 166 169 A L H < 0 0 77 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.749 360.0 360.0 -62.9 -24.1 44.1 8.1 46.8 167 170 A A < 0 0 85 -4,-1.1 -1,-0.3 -3,-0.3 -2,-0.2 0.556 360.0 360.0 -89.0 360.0 43.8 9.1 50.4