==== 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 29-FEB-00 1EJ2 . 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,MID . 167 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8640.0 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 . 16 9.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 59 35.3 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 0 104 0, 0.0 27,-2.4 0, 0.0 28,-1.4 0.000 360.0 360.0 360.0 110.0 9.3 24.5 30.2 2 5 A R E -a 29 0A 58 26,-0.2 94,-2.6 25,-0.2 95,-1.2 -0.956 360.0-161.2-123.2 131.5 12.8 23.2 30.8 3 6 A G E -ab 30 97A 0 26,-2.3 28,-2.9 -2,-0.4 2,-0.4 -0.565 9.5-138.4-103.7 174.2 14.9 23.7 33.9 4 7 A L E -ab 31 98A 0 93,-1.6 95,-3.1 26,-0.2 2,-0.4 -0.999 16.0-179.1-135.2 133.6 18.7 23.4 34.5 5 8 A L E -ab 32 99A 16 26,-2.5 28,-2.7 -2,-0.4 2,-0.4 -1.000 8.2-164.7-131.5 132.0 20.4 21.8 37.5 6 9 A V E +a 33 0A 25 93,-0.7 2,-0.3 -2,-0.4 28,-0.2 -0.962 20.9 148.4-118.5 135.2 24.2 21.8 37.8 7 10 A G E -a 34 0A 16 26,-2.2 28,-2.1 -2,-0.4 5,-0.1 -0.987 49.4-132.9-160.8 152.2 26.1 19.5 40.2 8 11 A R - 0 0 59 -2,-0.3 4,-0.1 26,-0.2 -1,-0.1 0.795 35.1-154.3 -78.0 -26.6 29.5 17.7 40.4 9 12 A M > - 0 0 3 2,-0.2 3,-0.7 1,-0.2 46,-0.1 0.955 13.8-172.9 53.7 56.4 27.6 14.6 41.6 10 13 A Q T 3 S- 0 0 5 1,-0.6 123,-0.2 34,-0.1 -1,-0.2 -0.580 88.4 -14.6-115.4 72.3 30.6 13.2 43.5 11 14 A P T 3 S- 0 0 0 0, 0.0 -1,-0.6 0, 0.0 2,-0.3 0.631 93.6-111.3 -99.7 179.3 28.8 10.8 43.8 12 15 A F < - 0 0 0 -3,-0.7 2,-0.2 -4,-0.1 138,-0.0 -0.510 48.8-175.1 -63.7 126.4 25.1 11.3 43.0 13 16 A H > - 0 0 12 -2,-0.3 4,-2.1 133,-0.1 133,-0.2 -0.549 42.1 -89.3-120.7-177.8 23.2 10.9 46.3 14 17 A R H > S+ 0 0 83 131,-2.7 4,-2.5 1,-0.2 5,-0.1 0.757 122.8 59.2 -61.5 -27.9 19.7 10.9 47.8 15 18 A G H > S+ 0 0 11 130,-0.3 4,-2.3 2,-0.2 -1,-0.2 0.928 106.1 47.5 -65.0 -46.5 19.8 14.7 48.2 16 19 A H H > S+ 0 0 36 1,-0.2 4,-2.3 2,-0.2 -2,-0.2 0.927 112.4 51.5 -59.3 -43.2 20.3 15.0 44.4 17 20 A L H X S+ 0 0 9 -4,-2.1 4,-2.2 2,-0.2 -2,-0.2 0.943 109.1 47.5 -63.7 -47.1 17.5 12.5 43.8 18 21 A Q H X S+ 0 0 59 -4,-2.5 4,-2.2 1,-0.2 5,-0.2 0.960 113.1 48.7 -58.4 -52.6 14.9 14.3 46.1 19 22 A V H X S+ 0 0 25 -4,-2.3 4,-2.0 1,-0.2 -1,-0.2 0.858 110.7 51.5 -55.6 -38.8 15.6 17.7 44.5 20 23 A I H X S+ 0 0 1 -4,-2.3 4,-2.3 -5,-0.2 -1,-0.2 0.923 107.1 52.5 -65.8 -44.7 15.4 16.3 41.0 21 24 A K H < S+ 0 0 89 -4,-2.2 4,-0.2 1,-0.2 -2,-0.2 0.936 111.9 44.9 -58.3 -46.9 12.0 14.7 41.6 22 25 A S H >< S+ 0 0 35 -4,-2.2 3,-1.4 1,-0.2 4,-0.5 0.870 109.9 54.7 -67.8 -33.5 10.5 17.9 42.9 23 26 A I H >X S+ 0 0 3 -4,-2.0 3,-1.7 1,-0.3 4,-1.0 0.894 101.9 59.8 -63.6 -38.5 12.0 19.9 40.1 24 27 A L T 3< S+ 0 0 13 -4,-2.3 -1,-0.3 1,-0.3 -2,-0.2 0.555 94.4 64.9 -69.0 -2.6 10.3 17.5 37.7 25 28 A E T <4 S+ 0 0 167 -3,-1.4 -1,-0.3 -4,-0.2 -2,-0.2 0.681 111.6 33.7 -88.8 -19.9 6.9 18.5 39.3 26 29 A E T <4 S+ 0 0 115 -3,-1.7 2,-0.3 -4,-0.5 -2,-0.2 0.443 117.4 48.0-113.6 -2.4 7.3 22.1 37.9 27 30 A V < - 0 0 5 -4,-1.0 -25,-0.2 1,-0.1 3,-0.1 -0.957 68.0-136.0-134.6 156.7 9.1 21.7 34.6 28 31 A D S S+ 0 0 104 -27,-2.4 2,-0.3 -2,-0.3 -26,-0.2 0.901 90.7 11.9 -76.7 -42.8 8.6 19.4 31.7 29 32 A E E -a 2 0A 50 -28,-1.4 -26,-2.3 2,-0.0 2,-0.5 -0.960 68.4-147.3-134.1 150.5 12.2 18.4 31.1 30 33 A L E -ac 3 70A 0 39,-2.5 41,-1.9 -2,-0.3 2,-0.6 -0.975 6.6-147.7-124.0 125.4 15.3 18.9 33.3 31 34 A I E -ac 4 71A 0 -28,-2.9 -26,-2.5 -2,-0.5 2,-0.6 -0.807 17.0-163.2 -87.5 125.3 18.8 19.5 31.9 32 35 A I E -ac 5 72A 0 39,-3.0 41,-2.2 -2,-0.6 2,-0.5 -0.905 2.3-164.6-113.6 109.2 21.3 18.0 34.3 33 36 A C E -ac 6 73A 0 -28,-2.7 -26,-2.2 -2,-0.6 2,-1.0 -0.795 13.5-145.1 -94.6 129.1 24.8 19.2 33.8 34 37 A I E -ac 7 74A 0 39,-1.5 41,-2.8 -2,-0.5 3,-0.3 -0.801 27.5-152.6 -91.6 104.3 27.6 17.2 35.5 35 38 A G + 0 0 6 -28,-2.1 41,-0.1 -2,-1.0 42,-0.1 -0.178 69.9 32.1 -72.8 170.1 30.0 20.0 36.4 36 39 A S S > S+ 0 0 12 39,-0.3 3,-1.4 1,-0.1 40,-0.2 0.901 70.4 165.1 48.6 44.5 33.8 19.7 36.8 37 40 A A T 3 + 0 0 18 38,-2.3 12,-0.7 -3,-0.3 39,-0.2 0.636 66.6 59.6 -67.8 -11.8 33.6 17.0 34.1 38 41 A Q T 3 S+ 0 0 79 37,-0.2 2,-0.3 10,-0.1 -1,-0.3 0.613 90.6 86.7 -90.3 -14.3 37.4 17.1 33.7 39 42 A L < + 0 0 64 -3,-1.4 2,-0.3 8,-0.1 10,-0.1 -0.677 46.2 138.4 -91.4 137.7 38.2 16.2 37.3 40 43 A S + 0 0 44 -2,-0.3 7,-0.2 8,-0.1 5,-0.1 -0.942 49.0 42.8-160.7 170.4 38.5 12.6 38.6 41 44 A H S S+ 0 0 94 5,-1.9 2,-0.3 -2,-0.3 6,-0.1 0.820 81.9 107.3 54.7 40.4 40.7 10.7 41.0 42 45 A S S S- 0 0 48 3,-0.9 -1,-0.2 -3,-0.0 125,-0.1 -0.908 81.9-107.4-134.8 166.2 41.1 13.2 43.8 43 46 A I S S+ 0 0 61 -2,-0.3 -2,-0.1 1,-0.2 124,-0.1 0.772 121.8 41.6 -68.0 -23.8 39.5 13.0 47.3 44 47 A R S S+ 0 0 137 1,-0.2 -1,-0.2 -4,-0.1 -34,-0.1 0.749 130.0 25.7 -93.0 -23.4 37.1 15.8 46.4 45 48 A D S S+ 0 0 6 1,-0.1 -3,-0.9 -5,-0.1 -1,-0.2 -0.649 70.4 157.2-140.1 77.2 36.3 14.5 42.8 46 49 A P + 0 0 0 0, 0.0 -5,-1.9 0, 0.0 2,-0.3 0.832 52.3 68.5 -71.9 -33.9 36.9 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 -0.673 77.3-122.1 -99.3 142.1 34.7 9.7 39.8 48 51 A T > - 0 0 43 -2,-0.3 4,-2.2 1,-0.1 5,-0.2 -0.277 32.9-109.1 -69.4 164.5 35.1 10.4 36.1 49 52 A A H > S+ 0 0 14 -12,-0.7 4,-2.1 1,-0.2 5,-0.2 0.899 120.2 54.7 -57.9 -44.7 32.2 12.2 34.3 50 53 A G H > S+ 0 0 46 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.857 106.5 49.4 -59.8 -37.8 31.4 9.0 32.5 51 54 A E H > S+ 0 0 33 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.917 112.3 49.8 -68.5 -37.5 31.1 7.0 35.7 52 55 A R H X S+ 0 0 0 -4,-2.2 4,-2.1 1,-0.2 -2,-0.2 0.826 103.9 57.6 -70.4 -30.9 28.8 9.8 37.0 53 56 A V H X S+ 0 0 38 -4,-2.1 4,-2.5 1,-0.2 -1,-0.2 0.917 109.0 48.2 -63.8 -38.6 26.7 9.7 33.8 54 57 A M H X S+ 0 0 72 -4,-1.7 4,-2.6 1,-0.2 5,-0.3 0.912 108.1 52.3 -69.4 -39.0 26.2 6.0 34.7 55 58 A M H X S+ 0 0 0 -4,-2.2 4,-2.2 1,-0.2 -1,-0.2 0.908 113.4 45.0 -59.3 -43.7 25.2 6.8 38.3 56 59 A L H X S+ 0 0 0 -4,-2.1 4,-2.8 2,-0.2 5,-0.4 0.954 112.9 49.5 -63.5 -51.2 22.7 9.3 37.1 57 60 A T H X S+ 0 0 47 -4,-2.5 4,-1.8 1,-0.2 -2,-0.2 0.893 114.8 43.6 -56.3 -47.4 21.2 7.1 34.4 58 61 A K H X S+ 0 0 83 -4,-2.6 4,-3.3 2,-0.2 -1,-0.2 0.914 114.5 50.1 -70.0 -41.5 20.8 4.1 36.7 59 62 A A H X S+ 0 0 0 -4,-2.2 4,-2.2 -5,-0.3 -2,-0.2 0.969 113.8 41.7 -61.9 -53.5 19.4 6.1 39.6 60 63 A L H <>S+ 0 0 0 -4,-2.8 5,-2.6 1,-0.2 -1,-0.2 0.902 117.1 49.9 -60.5 -41.1 16.7 8.0 37.7 61 64 A S H ><5S+ 0 0 81 -4,-1.8 3,-2.5 -5,-0.4 -1,-0.2 0.951 108.3 52.5 -61.0 -50.0 15.9 4.8 35.7 62 65 A E H 3<5S+ 0 0 101 -4,-3.3 -1,-0.2 1,-0.3 -2,-0.2 0.873 109.4 50.8 -54.4 -37.5 15.6 2.9 39.1 63 66 A N T 3<5S- 0 0 52 -4,-2.2 -1,-0.3 -5,-0.2 -2,-0.2 0.235 118.3-114.6 -86.9 15.8 13.2 5.5 40.3 64 67 A G T < 5 + 0 0 61 -3,-2.5 -3,-0.2 1,-0.2 -2,-0.1 0.657 62.9 148.7 63.8 20.4 11.1 5.2 37.2 65 68 A I < - 0 0 19 -5,-2.6 -1,-0.2 -6,-0.2 -2,-0.1 -0.793 51.1-119.7 -87.4 118.5 11.8 8.7 35.7 66 69 A P > - 0 0 71 0, 0.0 3,-1.9 0, 0.0 4,-0.2 -0.236 11.4-126.7 -59.3 141.6 11.6 8.4 31.9 67 70 A A G > S+ 0 0 71 1,-0.3 3,-2.0 2,-0.2 -2,-0.0 0.809 105.9 68.9 -57.3 -33.4 14.8 9.3 30.0 68 71 A S G 3 S+ 0 0 97 1,-0.3 -1,-0.3 -39,-0.1 3,-0.0 0.579 90.3 65.8 -66.9 -5.7 12.8 11.7 27.8 69 72 A R G < S+ 0 0 74 -3,-1.9 -39,-2.5 -40,-0.1 2,-0.3 0.516 106.7 28.8 -94.2 -4.6 12.3 13.9 30.8 70 73 A Y E < -c 30 0A 26 -3,-2.0 2,-0.4 -41,-0.2 -39,-0.2 -0.966 59.5-141.3-151.5 166.8 16.0 14.9 31.3 71 74 A Y E -c 31 0A 76 -41,-1.9 -39,-3.0 -2,-0.3 2,-0.6 -0.969 11.4-151.3-125.4 142.2 19.3 15.4 29.6 72 75 A I E +c 32 0A 37 -2,-0.4 -39,-0.2 -41,-0.2 -41,-0.1 -0.953 23.1 171.8-116.4 112.8 22.7 14.5 31.1 73 76 A I E -c 33 0A 34 -41,-2.2 -39,-1.5 -2,-0.6 2,-0.2 -0.943 24.5-144.2-127.4 112.2 25.5 16.8 29.8 74 77 A P E -c 34 0A 62 0, 0.0 2,-0.4 0, 0.0 -39,-0.2 -0.545 19.6-166.2 -71.3 139.2 29.0 16.7 31.2 75 78 A V - 0 0 1 -41,-2.8 -38,-2.3 -2,-0.2 -39,-0.3 -0.982 11.9-141.8-131.5 119.4 30.5 20.2 31.4 76 79 A Q - 0 0 127 -2,-0.4 2,-0.1 -40,-0.2 -41,-0.0 -0.448 29.1-111.0 -74.4 155.3 34.2 20.8 31.9 77 80 A D - 0 0 64 -2,-0.1 2,-0.3 -42,-0.1 -1,-0.1 -0.439 31.9-150.4 -79.5 163.2 35.0 23.8 34.1 78 81 A I - 0 0 59 -2,-0.1 6,-0.1 1,-0.1 5,-0.0 -0.917 21.7-115.7-132.3 165.5 36.6 26.9 32.6 79 82 A E S S+ 0 0 187 -2,-0.3 2,-0.8 1,-0.1 3,-0.1 0.859 95.6 64.2 -70.2 -35.7 39.0 29.5 33.9 80 83 A C >> - 0 0 60 1,-0.2 3,-2.2 2,-0.0 4,-0.6 -0.775 56.6-167.7-101.0 106.9 36.7 32.6 33.7 81 84 A N H >> S+ 0 0 87 -2,-0.8 3,-1.1 1,-0.3 4,-0.6 0.830 89.7 66.6 -56.2 -30.6 33.6 32.5 35.9 82 85 A A H 34 S+ 0 0 93 1,-0.3 -1,-0.3 2,-0.1 4,-0.2 0.681 105.8 41.0 -65.5 -18.3 32.4 35.5 33.8 83 86 A L H <> S+ 0 0 109 -3,-2.2 4,-2.0 2,-0.1 -1,-0.3 0.424 89.9 92.4-103.5 -1.7 32.1 33.2 30.8 84 87 A W H S+ 0 0 44 1,-0.2 4,-2.3 -4,-0.2 -1,-0.2 0.871 108.7 54.8 -62.8 -33.7 27.7 31.3 28.3 87 90 A H H X S+ 0 0 34 -4,-2.0 4,-1.4 2,-0.2 -1,-0.2 0.913 109.8 46.2 -64.8 -43.4 29.6 28.1 28.4 88 91 A I H X S+ 0 0 0 -4,-2.4 4,-1.0 1,-0.2 3,-0.5 0.946 112.2 51.3 -65.6 -44.6 26.6 26.2 29.8 89 92 A K H >< S+ 0 0 79 -4,-2.7 3,-0.6 1,-0.3 -2,-0.2 0.883 106.8 54.1 -59.5 -41.6 24.3 27.8 27.3 90 93 A M H 3< S+ 0 0 140 -4,-2.3 -1,-0.3 1,-0.2 -2,-0.2 0.804 113.0 43.0 -59.9 -35.1 26.5 26.8 24.4 91 94 A L H 3< S+ 0 0 69 -4,-1.4 -1,-0.2 -3,-0.5 -2,-0.2 0.532 110.2 60.7 -93.6 -6.2 26.5 23.2 25.5 92 95 A T S << S- 0 0 20 -4,-1.0 3,-0.1 -3,-0.6 -61,-0.0 -0.718 82.7 -98.1-125.5 169.5 22.8 22.8 26.3 93 96 A P - 0 0 31 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 -0.353 66.4 -78.8 -71.5 164.3 19.2 22.9 25.0 94 97 A P - 0 0 102 0, 0.0 2,-0.3 0, 0.0 -5,-0.0 -0.348 55.3-162.5 -64.2 148.7 17.5 26.3 25.8 95 98 A F - 0 0 14 1,-0.1 -92,-0.2 -3,-0.1 3,-0.1 -0.988 25.2-160.3-139.8 151.5 16.2 26.6 29.4 96 99 A D S S+ 0 0 94 -94,-2.6 19,-0.4 -2,-0.3 2,-0.4 0.721 76.0 26.8 -95.4 -31.5 13.7 28.8 31.4 97 100 A R E -b 3 0A 40 -95,-1.2 -93,-1.6 17,-0.1 2,-0.4 -0.997 61.5-145.2-141.3 148.5 14.8 28.3 35.0 98 101 A V E -bd 4 116A 1 17,-1.7 19,-2.7 -2,-0.4 2,-0.5 -0.923 9.0-161.4-115.6 133.7 17.8 27.5 37.0 99 102 A Y E +bd 5 117A 2 -95,-3.1 -93,-0.7 -2,-0.4 2,-0.3 -0.958 28.4 138.3-117.2 120.8 17.9 25.5 40.2 100 103 A S - 0 0 5 17,-2.2 -93,-0.1 -2,-0.5 -2,-0.1 -0.970 43.2-163.8-162.9 144.8 20.9 25.6 42.4 101 104 A G + 0 0 52 -2,-0.3 17,-0.1 17,-0.1 -1,-0.1 0.320 68.3 106.6-105.8 2.8 22.0 25.8 46.1 102 105 A N > - 0 0 79 -96,-0.1 4,-2.8 1,-0.1 5,-0.2 -0.757 64.2-147.6 -87.5 118.7 25.6 26.9 45.0 103 106 A P H > S+ 0 0 93 0, 0.0 4,-2.8 0, 0.0 5,-0.2 0.884 96.7 48.2 -52.7 -47.5 26.2 30.6 45.8 104 107 A L H > S+ 0 0 82 1,-0.2 4,-2.5 2,-0.2 5,-0.3 0.970 113.7 46.3 -60.7 -54.1 28.6 31.1 42.8 105 108 A V H > S+ 0 0 15 1,-0.2 4,-2.1 2,-0.2 5,-0.3 0.903 113.5 50.7 -55.4 -41.5 26.2 29.4 40.4 106 109 A Q H X S+ 0 0 55 -4,-2.8 4,-2.0 1,-0.2 -1,-0.2 0.929 112.2 45.8 -60.5 -46.9 23.3 31.5 41.8 107 110 A R H X S+ 0 0 155 -4,-2.8 4,-2.4 -5,-0.2 -2,-0.2 0.876 111.7 50.0 -67.3 -39.8 25.1 34.7 41.4 108 111 A L H X S+ 0 0 25 -4,-2.5 4,-1.3 2,-0.2 -1,-0.2 0.947 115.1 42.9 -64.7 -48.5 26.4 34.2 37.9 109 112 A F H <>S+ 0 0 0 -4,-2.1 5,-2.7 -5,-0.3 -1,-0.2 0.875 113.0 54.2 -67.5 -32.0 23.0 33.2 36.5 110 113 A S H ><5S+ 0 0 63 -4,-2.0 3,-1.9 -5,-0.3 -1,-0.2 0.936 107.4 49.0 -66.7 -43.9 21.4 36.0 38.4 111 114 A E H 3<5S+ 0 0 129 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.796 106.3 58.8 -66.3 -23.7 23.7 38.6 36.9 112 115 A D T 3<5S- 0 0 74 -4,-1.3 -1,-0.3 -5,-0.2 -2,-0.2 0.446 126.1-101.7 -84.3 2.8 22.9 37.1 33.5 113 116 A G T < 5S+ 0 0 68 -3,-1.9 2,-0.3 1,-0.3 -3,-0.2 0.642 75.8 137.0 90.8 16.3 19.2 37.8 34.1 114 117 A Y < - 0 0 52 -5,-2.7 2,-0.5 -6,-0.1 -1,-0.3 -0.727 55.8-123.4 -99.0 148.8 18.0 34.3 35.1 115 118 A E - 0 0 145 -19,-0.4 -17,-1.7 -2,-0.3 2,-0.5 -0.748 32.6-159.3 -85.1 129.8 15.6 33.6 37.9 116 119 A V E -d 98 0A 40 -2,-0.5 2,-0.4 -19,-0.2 -17,-0.2 -0.966 7.3-158.4-118.3 133.9 17.3 31.2 40.1 117 120 A T E -d 99 0A 41 -19,-2.7 -17,-2.2 -2,-0.5 -2,-0.0 -0.933 4.7-159.2-110.7 131.6 15.6 28.9 42.6 118 121 A A - 0 0 58 -2,-0.4 -17,-0.1 -19,-0.2 3,-0.1 -0.820 22.0-148.0-108.6 87.3 17.4 27.4 45.6 119 122 A P - 0 0 25 0, 0.0 -100,-0.1 0, 0.0 3,-0.1 -0.129 31.3 -87.3 -54.8 153.5 15.2 24.4 46.6 120 123 A P - 0 0 112 0, 0.0 2,-0.3 0, 0.0 -19,-0.0 -0.374 50.2-109.3 -61.6 138.6 15.1 23.5 50.3 121 124 A L - 0 0 122 -3,-0.1 2,-0.7 1,-0.1 3,-0.4 -0.552 23.7-135.4 -74.6 132.6 18.0 21.1 51.2 122 125 A F S S- 0 0 81 -2,-0.3 5,-0.2 1,-0.2 4,-0.1 -0.795 81.2 -26.3 -89.5 111.8 16.9 17.5 51.9 123 126 A Y S >> S- 0 0 133 -2,-0.7 4,-3.2 1,-0.1 3,-2.5 0.897 76.1-172.6 48.2 52.2 18.8 16.3 55.0 124 127 A R T 34 S+ 0 0 162 -3,-0.4 -1,-0.1 1,-0.3 -2,-0.1 0.707 74.9 61.1 -46.7 -28.9 21.6 18.7 54.4 125 128 A D T 34 S+ 0 0 115 1,-0.1 -1,-0.3 6,-0.0 3,-0.1 0.641 121.4 19.3 -80.1 -12.1 23.7 17.2 57.2 126 129 A R T <4 S+ 0 0 103 -3,-2.5 2,-1.4 -4,-0.1 -2,-0.2 0.611 110.8 73.9-123.9 -29.7 23.9 13.7 55.7 127 130 A Y S < S+ 0 0 42 -4,-3.2 2,-0.3 -5,-0.2 -1,-0.1 -0.562 71.1 105.8 -91.2 77.9 23.1 14.3 52.0 128 131 A S S > S- 0 0 37 -2,-1.4 4,-2.4 -3,-0.1 5,-0.2 -0.992 74.0-124.5-148.3 142.8 26.3 15.9 50.7 129 132 A G H > S+ 0 0 14 -2,-0.3 4,-2.9 1,-0.2 5,-0.3 0.904 112.4 58.6 -55.9 -39.1 29.1 14.5 48.6 130 133 A T H > S+ 0 0 65 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.934 107.6 44.2 -55.2 -49.4 31.5 15.5 51.3 131 134 A E H > S+ 0 0 39 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.937 113.2 51.6 -64.3 -44.6 29.8 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 0.934 113.5 44.1 -56.5 -48.1 29.4 10.4 51.5 133 136 A R H X S+ 0 0 15 -4,-2.9 4,-1.8 -5,-0.2 -1,-0.2 0.814 110.3 55.6 -69.8 -27.6 33.1 10.6 50.7 134 137 A R H X S+ 0 0 117 -4,-2.1 4,-2.7 -5,-0.3 6,-0.2 0.922 110.3 46.0 -69.5 -39.1 34.0 11.0 54.3 135 138 A R H X>S+ 0 0 53 -4,-2.5 5,-2.1 2,-0.2 4,-0.7 0.857 109.5 53.7 -70.5 -34.5 32.1 7.8 55.2 136 139 A M H <5S+ 0 0 0 -4,-2.1 3,-0.4 -5,-0.2 -1,-0.2 0.925 114.4 42.8 -65.1 -41.1 33.6 5.9 52.3 137 140 A L H <5S+ 0 0 41 -4,-1.8 -2,-0.2 1,-0.2 -1,-0.2 0.925 120.6 38.2 -71.2 -45.7 37.1 6.8 53.6 138 141 A D H <5S- 0 0 123 -4,-2.7 -1,-0.2 -5,-0.2 -2,-0.2 0.317 113.6-108.5 -91.5 10.8 36.5 6.3 57.3 139 142 A D T <5 + 0 0 122 -4,-0.7 -3,-0.2 -3,-0.4 -4,-0.1 0.781 70.0 143.8 69.2 28.3 34.4 3.1 56.9 140 143 A G < - 0 0 37 -5,-2.1 2,-1.5 -6,-0.2 3,-0.3 -0.147 66.9 -73.2 -84.3-174.2 31.1 4.8 57.9 141 144 A D + 0 0 94 1,-0.2 4,-0.1 2,-0.1 -5,-0.1 -0.623 66.0 148.3 -87.6 87.3 27.7 4.1 56.5 142 145 A W >> + 0 0 11 -2,-1.5 3,-1.9 -7,-0.2 4,-0.6 0.803 60.9 70.6 -85.5 -30.9 27.9 5.7 53.0 143 146 A R G >4 S+ 0 0 114 -3,-0.3 3,-0.9 1,-0.3 -1,-0.2 0.821 90.8 57.5 -58.7 -32.6 25.6 3.3 51.4 144 147 A S G 34 S+ 0 0 53 1,-0.2 -1,-0.3 7,-0.0 -2,-0.1 0.679 99.9 61.2 -75.0 -11.3 22.5 4.5 53.1 145 148 A L G <4 S+ 0 0 3 -3,-1.9 -131,-2.7 -4,-0.1 -130,-0.3 0.650 101.9 61.6 -83.6 -17.4 23.1 8.0 51.7 146 149 A L S << S- 0 0 0 -3,-0.9 -133,-0.1 -4,-0.6 -134,-0.0 -0.821 91.1-102.5-116.1 150.9 22.9 6.8 48.1 147 150 A P >> - 0 0 2 0, 0.0 4,-1.7 0, 0.0 3,-0.8 -0.343 43.8-114.1 -59.5 151.5 20.2 5.2 45.9 148 151 A E H 3> S+ 0 0 84 1,-0.3 4,-2.1 2,-0.2 5,-0.1 0.793 114.0 61.1 -66.6 -25.7 21.0 1.5 45.6 149 152 A S H 3> S+ 0 0 12 2,-0.2 4,-1.6 1,-0.2 -1,-0.3 0.859 104.5 50.0 -67.7 -31.7 21.7 1.6 41.9 150 153 A V H <> S+ 0 0 0 -3,-0.8 4,-3.0 2,-0.2 5,-0.3 0.928 106.1 54.3 -72.7 -42.3 24.5 4.1 42.6 151 154 A V H X S+ 0 0 5 -4,-1.7 4,-2.4 1,-0.3 -2,-0.2 0.939 107.6 52.4 -57.3 -40.2 26.0 1.9 45.3 152 155 A E H X S+ 0 0 111 -4,-2.1 4,-2.5 1,-0.2 -1,-0.3 0.886 108.9 49.3 -61.7 -39.7 26.1 -0.9 42.6 153 156 A V H X S+ 0 0 6 -4,-1.6 4,-2.0 2,-0.2 -1,-0.2 0.962 109.6 50.9 -64.6 -46.0 27.9 1.4 40.2 154 157 A I H <>S+ 0 0 1 -4,-3.0 5,-2.6 1,-0.2 6,-0.3 0.892 110.6 50.3 -58.7 -37.3 30.4 2.4 42.9 155 158 A D H ><5S+ 0 0 80 -4,-2.4 3,-1.4 -5,-0.3 -1,-0.2 0.945 109.0 51.1 -66.4 -45.8 31.0 -1.3 43.6 156 159 A E H 3<5S+ 0 0 127 -4,-2.5 -2,-0.2 1,-0.3 -1,-0.2 0.836 114.1 42.2 -63.2 -31.1 31.5 -2.2 40.0 157 160 A I T 3<5S- 0 0 40 -4,-2.0 -1,-0.3 -5,-0.1 -2,-0.2 0.318 110.0-119.5 -96.6 10.1 34.1 0.5 39.4 158 161 A N T <>5 + 0 0 88 -3,-1.4 4,-2.3 -4,-0.3 -3,-0.2 0.872 52.0 164.2 54.2 41.5 35.9 -0.1 42.7 159 162 A G H >< + 0 0 0 -5,-2.6 4,-2.5 1,-0.2 5,-0.2 0.858 68.3 49.0 -57.9 -41.2 35.2 3.4 43.9 160 163 A V H > S+ 0 0 31 -6,-0.3 4,-2.7 1,-0.2 5,-0.2 0.945 110.6 49.7 -67.7 -42.3 35.9 2.9 47.5 161 164 A E H > S+ 0 0 135 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.904 112.5 51.1 -59.7 -42.1 39.3 1.1 46.8 162 165 A R H X S+ 0 0 44 -4,-2.3 4,-2.7 2,-0.2 -2,-0.2 0.977 112.0 43.1 -60.1 -57.5 40.1 4.1 44.5 163 166 A I H X S+ 0 0 0 -4,-2.5 4,-1.4 1,-0.2 -2,-0.2 0.884 114.4 50.7 -60.6 -40.2 39.3 6.9 47.0 164 167 A K H < S+ 0 0 81 -4,-2.7 3,-0.4 -5,-0.2 -1,-0.2 0.935 110.7 48.9 -63.9 -44.8 41.0 5.1 49.9 165 168 A H H < S+ 0 0 169 -4,-2.5 -2,-0.2 -5,-0.2 -1,-0.2 0.954 110.5 51.7 -60.4 -45.7 44.2 4.5 47.8 166 169 A L H < 0 0 74 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.752 360.0 360.0 -60.5 -26.6 44.2 8.2 46.8 167 170 A A < 0 0 87 -4,-1.4 -1,-0.3 -3,-0.4 -2,-0.2 0.566 360.0 360.0 -91.8 360.0 43.9 9.2 50.5