==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-JAN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 03-JUN-10 3NBK . COMPND 2 MOLECULE: PHOSPHOPANTETHEINE ADENYLYLTRANSFERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: MYCOBACTERIUM TUBERCULOSIS; . AUTHOR T.J.WUBBEN,A.D.MESECAR . 641 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 30158.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 437 68.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 90 14.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.6 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 . 0 0.0 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 . 4 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 . 30 4.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 72 11.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 212 33.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 1.2 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 3 2 4 2 5 0 4 0 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 3 1 0 0 3 9 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 . 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 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 0 0 0 0 0 2 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 0 A H 0 0 191 0, 0.0 2,-0.4 0, 0.0 188,-0.0 0.000 360.0 360.0 360.0 -33.6 64.4 4.9 15.8 2 1 A M - 0 0 124 28,-0.1 2,-0.2 159,-0.0 159,-0.1 -0.626 360.0-149.7 -79.2 126.6 61.8 3.4 13.6 3 2 A T + 0 0 16 -2,-0.4 28,-1.2 80,-0.0 2,-0.3 -0.504 19.2 178.2 -92.1 162.9 61.2 -0.3 14.0 4 3 A G E -a 31 0A 6 26,-0.2 80,-0.5 -2,-0.2 2,-0.3 -0.972 18.1-163.7-166.6 148.7 60.1 -2.7 11.3 5 4 A A E -a 32 0A 0 26,-2.1 28,-2.1 -2,-0.3 2,-0.4 -0.986 14.4-141.6-135.5 148.0 59.4 -6.2 10.3 6 5 A V E -ab 33 86A 0 79,-2.4 81,-2.6 -2,-0.3 28,-0.2 -0.907 6.0-158.2-104.6 135.2 59.0 -8.0 7.0 7 6 A C E -a 34 0A 3 26,-2.8 28,-1.6 -2,-0.4 2,-0.2 -0.887 23.4-170.7-110.7 93.6 56.3 -10.7 6.6 8 7 A P E +a 35 0A 15 0, 0.0 2,-0.3 0, 0.0 28,-0.2 -0.520 19.6 122.9 -89.5 156.1 57.5 -12.9 3.7 9 8 A G E -a 36 0A 23 26,-1.8 28,-2.6 -2,-0.2 5,-0.1 -0.959 64.2-105.1 174.4 173.0 55.7 -15.6 1.8 10 9 A S - 0 0 64 -2,-0.3 4,-0.1 26,-0.2 -1,-0.1 0.726 41.7-165.4 -88.7 -27.3 54.3 -16.9 -1.4 11 10 A F > + 0 0 6 2,-0.2 3,-0.8 1,-0.2 44,-0.1 0.866 10.2 179.6 43.8 60.8 50.7 -16.0 -0.6 12 11 A D T 3 S- 0 0 9 1,-0.7 33,-0.2 33,-0.0 -1,-0.2 -0.606 89.3 -8.2-123.4 70.4 49.1 -18.1 -3.3 13 12 A P T 3 S- 0 0 0 0, 0.0 -1,-0.7 0, 0.0 -2,-0.2 0.599 93.0-123.1 -98.7 168.2 46.5 -17.0 -2.1 14 13 A V < - 0 0 0 -3,-0.8 2,-0.2 37,-0.2 135,-0.1 -0.339 33.3-158.6 -55.9 140.5 46.8 -15.0 1.1 15 14 A T > - 0 0 2 130,-0.1 4,-2.2 111,-0.1 130,-0.2 -0.721 33.9-103.1-116.0 173.2 44.6 -16.4 3.9 16 15 A L H > S+ 0 0 33 128,-2.5 4,-2.2 -2,-0.2 129,-0.1 0.733 122.2 62.8 -68.8 -18.2 43.0 -15.1 7.1 17 16 A G H > S+ 0 0 5 127,-0.5 4,-1.5 2,-0.2 -1,-0.2 0.926 106.1 44.2 -66.6 -44.7 45.8 -16.9 8.9 18 17 A H H > S+ 0 0 55 2,-0.2 4,-2.6 1,-0.2 -2,-0.2 0.930 112.3 51.5 -62.9 -45.5 48.3 -14.7 7.1 19 18 A V H X S+ 0 0 6 -4,-2.2 4,-2.5 1,-0.2 -2,-0.2 0.900 105.0 56.7 -61.9 -39.2 46.2 -11.6 7.8 20 19 A D H X S+ 0 0 17 -4,-2.2 4,-1.8 1,-0.2 -1,-0.2 0.921 109.9 45.3 -55.4 -44.2 46.1 -12.4 11.5 21 20 A I H X S+ 0 0 8 -4,-1.5 4,-2.6 1,-0.2 -2,-0.2 0.911 109.3 54.3 -69.8 -40.8 49.9 -12.5 11.5 22 21 A F H X S+ 0 0 4 -4,-2.6 4,-2.8 1,-0.2 -1,-0.2 0.894 107.9 52.5 -55.8 -40.8 50.1 -9.2 9.5 23 22 A E H X S+ 0 0 76 -4,-2.5 4,-1.7 2,-0.2 -1,-0.2 0.904 109.0 48.0 -63.4 -43.1 47.8 -7.6 12.1 24 23 A R H X S+ 0 0 14 -4,-1.8 4,-1.0 2,-0.2 -2,-0.2 0.922 113.6 47.2 -63.6 -44.5 50.1 -8.8 15.0 25 24 A A H >X S+ 0 0 0 -4,-2.6 4,-1.8 1,-0.2 3,-1.0 0.939 111.2 51.3 -63.3 -43.1 53.2 -7.5 13.2 26 25 A A H 3< S+ 0 0 10 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.807 109.0 52.1 -65.9 -29.1 51.5 -4.2 12.4 27 26 A A H 3< S+ 0 0 67 -4,-1.7 -1,-0.3 -5,-0.2 -2,-0.2 0.739 118.8 34.4 -74.2 -22.7 50.5 -3.8 16.1 28 27 A Q H << S+ 0 0 8 -4,-1.0 2,-0.3 -3,-1.0 -2,-0.2 0.533 112.4 56.0-116.9 -9.0 54.1 -4.3 17.4 29 28 A F S < S- 0 0 3 -4,-1.8 -25,-0.1 -5,-0.1 3,-0.1 -0.941 75.0-128.4-126.6 147.2 56.4 -2.7 14.8 30 29 A D S S+ 0 0 23 -2,-0.3 2,-0.4 1,-0.2 -26,-0.2 0.904 95.7 15.9 -61.8 -41.8 56.4 0.8 13.4 31 30 A E E -a 4 0A 71 -28,-1.2 -26,-2.1 -3,-0.1 2,-0.4 -0.991 66.2-163.0-134.9 143.7 56.3 -0.4 9.8 32 31 A V E -ac 5 65A 1 32,-2.5 34,-2.2 -2,-0.4 2,-0.5 -0.981 1.4-164.9-124.5 137.5 55.5 -3.8 8.2 33 32 A V E -ac 6 66A 0 -28,-2.1 -26,-2.8 -2,-0.4 2,-0.6 -0.985 10.7-150.7-119.3 120.1 56.3 -4.9 4.7 34 33 A V E -ac 7 67A 0 32,-3.2 34,-2.9 -2,-0.5 2,-0.5 -0.818 18.6-159.0 -83.7 121.6 54.6 -7.9 3.2 35 34 A A E -ac 8 68A 0 -28,-1.6 -26,-1.8 -2,-0.6 2,-0.6 -0.926 5.3-155.0-109.1 122.8 57.1 -9.4 0.8 36 35 A I E -ac 9 69A 0 32,-2.6 34,-2.5 -2,-0.5 2,-0.5 -0.848 13.6-178.6 -99.6 118.0 55.7 -11.7 -1.9 37 36 A L - 0 0 33 -28,-2.6 2,-0.3 -2,-0.6 34,-0.1 -0.968 13.3-152.4-122.0 110.7 58.4 -14.1 -3.1 38 37 A V - 0 0 59 -2,-0.5 -28,-0.1 32,-0.5 -27,-0.0 -0.648 18.0-121.5 -85.0 137.4 57.2 -16.4 -5.9 39 38 A N > - 0 0 80 -2,-0.3 3,-1.5 3,-0.2 5,-0.1 -0.696 13.3-154.3 -83.6 117.0 58.8 -19.8 -6.3 40 39 A P T 3 S+ 0 0 133 0, 0.0 -1,-0.2 0, 0.0 3,-0.1 0.558 94.2 50.3 -67.7 -8.3 60.3 -20.0 -9.8 41 40 A A T 3 S+ 0 0 88 1,-0.2 2,-0.3 2,-0.0 -2,-0.0 0.197 99.9 66.4-119.1 15.9 60.0 -23.8 -9.6 42 41 A K S < S- 0 0 155 -3,-1.5 2,-0.3 0, 0.0 -3,-0.2 -0.858 71.7-144.0-139.2 102.1 56.3 -24.1 -8.5 43 42 A T - 0 0 150 -2,-0.3 2,-0.1 -3,-0.1 4,-0.1 -0.442 30.4-162.6 -59.0 117.5 53.6 -23.0 -10.9 44 43 A G - 0 0 28 -2,-0.3 3,-0.1 2,-0.2 -1,-0.1 -0.276 27.9-108.6 -93.8-168.3 51.0 -21.6 -8.5 45 44 A M S S+ 0 0 42 -33,-0.2 2,-0.4 1,-0.1 -1,-0.1 0.891 99.2 45.3 -85.3 -45.3 47.4 -20.8 -9.0 46 45 A F S S- 0 0 3 1,-0.0 -2,-0.2 2,-0.0 -1,-0.1 -0.808 82.2-124.1-105.9 138.9 47.6 -17.0 -9.0 47 46 A D > - 0 0 88 -2,-0.4 4,-2.4 1,-0.1 3,-0.2 -0.288 36.4 -97.3 -73.1 167.3 50.1 -14.9 -10.9 48 47 A L H > S+ 0 0 49 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.884 122.9 52.2 -52.8 -47.3 52.3 -12.4 -9.1 49 48 A D H > S+ 0 0 120 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.907 111.2 47.3 -57.4 -43.5 50.1 -9.4 -9.9 50 49 A E H > S+ 0 0 54 -3,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.891 110.5 52.3 -65.7 -41.1 47.0 -11.2 -8.5 51 50 A R H X S+ 0 0 16 -4,-2.4 4,-2.1 2,-0.2 -2,-0.2 0.929 111.0 47.2 -61.0 -44.6 48.9 -12.2 -5.4 52 51 A I H X S+ 0 0 28 -4,-2.5 4,-2.9 2,-0.2 5,-0.2 0.937 112.4 49.6 -61.2 -47.8 49.9 -8.6 -4.7 53 52 A A H X S+ 0 0 26 -4,-2.4 4,-3.0 1,-0.2 5,-0.2 0.907 109.0 52.1 -60.9 -42.1 46.4 -7.3 -5.3 54 53 A M H X S+ 0 0 0 -4,-2.6 4,-1.2 2,-0.2 -1,-0.2 0.929 112.3 45.4 -62.8 -41.9 44.9 -9.9 -3.0 55 54 A V H >X S+ 0 0 0 -4,-2.1 3,-0.5 2,-0.2 4,-0.5 0.963 115.3 46.5 -64.7 -48.3 47.2 -8.9 -0.2 56 55 A K H >< S+ 0 0 113 -4,-2.9 3,-1.5 1,-0.2 4,-0.2 0.941 113.2 48.7 -60.0 -46.9 46.8 -5.2 -0.7 57 56 A E H 3< S+ 0 0 74 -4,-3.0 3,-0.4 1,-0.3 -1,-0.2 0.750 112.4 50.3 -64.3 -23.1 43.0 -5.5 -0.9 58 57 A S H << S+ 0 0 11 -4,-1.2 -1,-0.3 -3,-0.5 -2,-0.2 0.428 109.8 49.3 -95.3 -0.6 42.9 -7.6 2.3 59 58 A T X< + 0 0 9 -3,-1.5 3,-2.2 -4,-0.5 6,-0.2 0.159 63.6 117.8-127.8 18.4 45.1 -5.2 4.4 60 59 A T T 3 S+ 0 0 124 -3,-0.4 -1,-0.1 1,-0.3 -2,-0.1 0.723 73.7 64.5 -61.1 -20.5 43.5 -1.8 4.0 61 60 A H T 3 S+ 0 0 97 1,-0.1 -1,-0.3 -3,-0.1 -2,-0.1 0.438 87.3 77.4 -80.2 -0.7 42.8 -1.8 7.7 62 61 A L X - 0 0 21 -3,-2.2 3,-1.5 1,-0.1 -1,-0.1 -0.850 60.3-175.9-114.0 94.2 46.5 -1.8 8.5 63 62 A P T 3 S+ 0 0 127 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.754 80.0 51.2 -65.9 -24.9 47.8 1.8 7.9 64 63 A N T 3 S+ 0 0 48 -35,-0.1 -32,-2.5 -38,-0.1 2,-0.4 0.125 93.1 93.8-102.0 21.7 51.4 1.0 8.6 65 64 A L E < -c 32 0A 23 -3,-1.5 2,-0.3 -6,-0.2 -32,-0.2 -0.916 47.0-180.0-116.6 139.1 51.7 -2.0 6.2 66 65 A R E -c 33 0A 100 -34,-2.2 -32,-3.2 -2,-0.4 2,-0.4 -0.897 19.9-131.6-129.9 164.6 52.8 -2.0 2.6 67 66 A V E +c 34 0A 16 -2,-0.3 2,-0.3 -34,-0.2 -32,-0.2 -0.964 29.0 165.6-122.7 131.3 53.2 -4.8 0.0 68 67 A Q E -c 35 0A 63 -34,-2.9 -32,-2.6 -2,-0.4 2,-0.4 -0.926 33.8-112.5-139.2 162.3 56.2 -5.4 -2.2 69 68 A V E -c 36 0A 41 -2,-0.3 2,-0.4 -34,-0.2 -32,-0.2 -0.817 23.6-155.8 -94.4 136.3 57.7 -8.1 -4.5 70 69 A G - 0 0 5 -34,-2.5 -32,-0.5 -2,-0.4 4,-0.1 -0.924 8.3-173.7-109.5 142.4 61.0 -9.8 -3.5 71 70 A H + 0 0 170 -2,-0.4 2,-0.1 2,-0.2 3,-0.1 0.538 63.6 2.0-115.1 -11.1 63.2 -11.4 -6.2 72 71 A G S S+ 0 0 58 1,-0.3 2,-0.2 2,-0.0 -2,-0.1 -0.173 112.8 8.1-141.5-126.0 66.0 -13.3 -4.5 73 72 A L > - 0 0 93 1,-0.1 4,-1.9 -2,-0.1 3,-0.5 -0.472 59.8-134.7 -69.5 135.5 67.0 -14.1 -0.9 74 73 A V H > S+ 0 0 27 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.900 107.6 56.2 -57.2 -36.5 64.4 -13.1 1.6 75 74 A V H > S+ 0 0 2 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.836 103.4 53.2 -67.3 -30.8 67.3 -11.6 3.7 76 75 A D H > S+ 0 0 101 -3,-0.5 4,-1.9 2,-0.2 -1,-0.2 0.898 110.6 47.8 -67.0 -40.3 68.4 -9.4 0.8 77 76 A F H X S+ 0 0 16 -4,-1.9 4,-1.1 2,-0.2 -2,-0.2 0.941 111.3 50.5 -63.0 -47.5 64.8 -8.1 0.6 78 77 A V H ><>S+ 0 0 0 -4,-2.7 5,-1.9 1,-0.2 3,-0.9 0.942 112.3 45.7 -56.8 -47.7 64.7 -7.5 4.3 79 78 A R H ><5S+ 0 0 137 -4,-2.3 3,-1.7 1,-0.3 -1,-0.2 0.831 105.2 61.7 -68.4 -32.4 68.0 -5.5 4.4 80 79 A S H 3<5S+ 0 0 89 -4,-1.9 -1,-0.3 1,-0.3 -2,-0.2 0.758 101.5 53.9 -63.3 -26.1 66.9 -3.5 1.3 81 80 A C T <<5S- 0 0 26 -4,-1.1 -1,-0.3 -3,-0.9 -2,-0.2 0.378 120.4-112.2 -84.2 2.3 64.0 -2.2 3.5 82 81 A G T < 5S+ 0 0 74 -3,-1.7 2,-0.2 1,-0.3 -3,-0.2 0.768 81.2 120.7 68.4 27.4 66.5 -1.1 6.1 83 82 A M < - 0 0 14 -5,-1.9 -1,-0.3 -6,-0.2 -2,-0.1 -0.673 50.5-166.5-117.8 169.7 65.1 -3.8 8.4 84 83 A T + 0 0 41 -80,-0.5 29,-2.8 -2,-0.2 2,-0.4 0.115 61.7 86.2-142.0 20.5 66.5 -6.8 10.2 85 84 A A E - d 0 113A 0 -81,-0.3 -79,-2.4 27,-0.2 2,-0.4 -0.981 47.2-168.5-133.4 140.6 63.4 -8.7 11.3 86 85 A I E -bd 6 114A 2 27,-2.5 29,-3.0 -2,-0.4 2,-0.5 -0.957 9.9-155.2-119.7 140.3 61.1 -11.2 9.8 87 86 A V E - d 0 115A 3 -81,-2.6 2,-0.4 -2,-0.4 29,-0.2 -0.988 15.7-178.6-118.4 126.6 57.7 -12.2 11.3 88 87 A K E - d 0 116A 39 27,-2.4 29,-2.0 -2,-0.5 2,-0.2 -0.970 19.8-128.3-125.2 138.1 56.3 -15.7 10.4 89 88 A G E - d 0 117A 26 -2,-0.4 2,-0.4 27,-0.2 29,-0.2 -0.550 11.5-148.2 -85.8 152.0 53.1 -17.4 11.5 90 89 A L E + d 0 118A 10 27,-2.3 29,-2.7 -2,-0.2 2,-0.3 -0.926 26.2 159.4-113.9 139.7 52.6 -20.8 13.0 91 90 A R > - 0 0 96 -2,-0.4 3,-1.9 27,-0.2 2,-0.4 -0.888 53.2 -64.6-144.8 176.0 49.5 -22.9 12.4 92 91 A T T 3 S+ 0 0 100 32,-2.9 0, 0.0 -2,-0.3 0, 0.0 -0.575 126.3 24.8 -66.1 121.7 48.3 -26.5 12.6 93 92 A G T 3 S+ 0 0 62 -2,-0.4 -1,-0.3 1,-0.3 2,-0.1 0.335 83.2 148.2 100.7 -5.7 50.5 -28.2 9.9 94 93 A T < - 0 0 29 -3,-1.9 2,-1.7 1,-0.1 -1,-0.3 -0.391 53.5-129.1 -57.0 135.2 53.4 -25.8 9.9 95 94 A D > + 0 0 97 1,-0.2 4,-2.2 2,-0.1 3,-0.2 -0.676 38.2 175.1 -82.1 83.4 56.7 -27.5 9.1 96 95 A F H > + 0 0 23 -2,-1.7 4,-2.8 1,-0.2 -1,-0.2 0.860 69.7 57.8 -68.5 -34.9 58.2 -25.9 12.2 97 96 A E H > S+ 0 0 140 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.900 109.4 46.3 -62.4 -37.7 61.6 -27.7 12.0 98 97 A Y H > S+ 0 0 120 -3,-0.2 4,-2.7 2,-0.2 5,-0.2 0.902 110.5 52.8 -69.9 -40.7 62.0 -26.3 8.5 99 98 A E H X S+ 0 0 33 -4,-2.2 4,-2.5 1,-0.2 -2,-0.2 0.921 110.3 48.7 -57.6 -42.8 61.0 -22.8 9.6 100 99 A L H X S+ 0 0 48 -4,-2.8 4,-2.6 2,-0.2 -2,-0.2 0.910 109.9 51.8 -62.6 -41.0 63.6 -23.1 12.4 101 100 A Q H X S+ 0 0 122 -4,-2.0 4,-2.5 1,-0.2 -2,-0.2 0.945 111.6 45.9 -62.2 -46.3 66.2 -24.2 9.9 102 101 A M H X S+ 0 0 51 -4,-2.7 4,-3.1 2,-0.2 -1,-0.2 0.886 111.0 54.1 -62.2 -40.9 65.5 -21.2 7.6 103 102 A A H X S+ 0 0 9 -4,-2.5 4,-2.2 -5,-0.2 -2,-0.2 0.943 110.9 44.7 -60.7 -44.4 65.5 -18.9 10.7 104 103 A Q H X S+ 0 0 52 -4,-2.6 4,-2.3 1,-0.2 -2,-0.2 0.909 114.9 48.9 -67.5 -37.8 69.0 -20.1 11.7 105 104 A M H X S+ 0 0 101 -4,-2.5 4,-2.6 -5,-0.2 5,-0.2 0.927 110.8 50.2 -64.3 -44.0 70.2 -19.8 8.1 106 105 A N H X S+ 0 0 23 -4,-3.1 4,-1.6 1,-0.2 6,-1.2 0.864 111.6 48.3 -65.6 -36.4 68.8 -16.3 7.7 107 106 A K H X S+ 0 0 64 -4,-2.2 4,-2.0 4,-0.2 -1,-0.2 0.909 112.6 49.6 -67.2 -42.7 70.4 -15.2 10.9 108 107 A H H < S+ 0 0 157 -4,-2.3 -2,-0.2 -5,-0.2 -1,-0.2 0.929 116.2 38.9 -61.7 -46.8 73.8 -16.7 9.8 109 108 A I H < S+ 0 0 80 -4,-2.6 -1,-0.2 1,-0.1 -2,-0.2 0.783 138.4 6.3 -82.1 -24.1 73.9 -15.2 6.3 110 109 A A H < S- 0 0 15 -4,-1.6 -3,-0.2 -5,-0.2 -2,-0.2 0.378 91.0-112.5-142.3 1.6 72.5 -11.7 7.0 111 110 A G < + 0 0 34 -4,-2.0 2,-0.3 -5,-0.3 -4,-0.2 0.641 63.6 153.0 71.6 15.2 72.0 -11.2 10.8 112 111 A V - 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0 0 0 -6,-1.1 -1,-0.3 -27,-0.1 2,-0.2 -0.662 38.7-139.2 -85.8 128.7 71.5 12.9 56.8 599 112 D D E - r 0 571B 5 -29,-0.8 -27,-2.5 -2,-0.4 2,-0.4 -0.571 9.1-150.3 -83.6 147.3 69.1 13.7 53.9 600 113 D T E - r 0 572B 7 -2,-0.2 2,-0.4 -29,-0.2 -160,-0.4 -0.985 6.1-162.5-119.1 130.3 65.7 15.2 54.5 601 114 D F E - r 0 573B 0 -29,-2.9 -27,-2.6 -2,-0.4 2,-0.4 -0.938 7.3-152.6-108.6 134.4 62.8 14.6 52.1 602 115 D F E -Nr 438 574B 0 -164,-2.6 -164,-2.9 -2,-0.4 2,-0.4 -0.871 11.1-172.5-106.9 139.0 59.7 16.8 52.2 603 116 D V E - r 0 575B 1 -29,-2.1 -27,-2.5 -2,-0.4 2,-0.4 -0.999 24.5-121.8-133.8 131.9 56.3 15.6 51.1 604 117 D A E - r 0 576B 8 -168,-0.4 -27,-0.2 -2,-0.4 -168,-0.1 -0.569 30.8-123.8 -72.2 125.7 53.1 17.7 50.7 605 118 D T - 0 0 8 -29,-2.9 5,-0.1 -2,-0.4 -102,-0.1 -0.298 40.2 -83.8 -62.7 151.3 50.2 16.5 52.9 606 119 D A > - 0 0 19 -103,-0.1 3,-1.7 1,-0.1 4,-0.4 -0.262 42.9-114.0 -52.7 141.2 46.9 15.5 51.1 607 120 D P G > S+ 0 0 78 0, 0.0 3,-1.6 0, 0.0 4,-0.2 0.867 115.1 56.9 -51.2 -39.9 44.8 18.6 50.5 608 121 D R G 3 S+ 0 0 176 1,-0.3 3,-0.2 2,-0.1 -105,-0.1 0.747 116.4 36.8 -65.5 -21.2 42.0 17.6 52.9 609 122 D Y G X S+ 0 0 36 -3,-1.7 3,-0.6 1,-0.1 -1,-0.3 0.232 89.9 101.3-110.0 13.9 44.7 17.3 55.7 610 123 D S T < S+ 0 0 23 -3,-1.6 -32,-2.9 -4,-0.4 -2,-0.1 0.506 81.9 44.1 -81.5 -5.7 46.7 20.4 54.6 611 124 D F T 3 S+ 0 0 119 -4,-0.2 2,-0.3 -3,-0.2 -1,-0.2 0.390 87.7 98.2-123.2 2.3 45.3 22.9 57.1 612 125 D V < + 0 0 7 -3,-0.6 2,-0.3 4,-0.1 -111,-0.1 -0.716 42.4 168.6 -84.1 140.9 45.4 20.9 60.4 613 126 D S > - 0 0 11 -2,-0.3 4,-2.6 1,-0.1 5,-0.2 -0.940 45.6-112.2-137.9 162.7 48.2 21.3 62.8 614 127 D S H > S+ 0 0 17 -2,-0.3 4,-2.3 1,-0.2 5,-0.2 0.944 117.2 46.5 -58.9 -48.3 48.5 20.1 66.4 615 128 D S H > S+ 0 0 79 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.899 115.3 44.0 -63.8 -43.7 48.5 23.6 67.8 616 129 D L H > S+ 0 0 81 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.897 111.8 53.4 -71.9 -36.9 45.5 24.8 65.7 617 130 D A H X S+ 0 0 1 -4,-2.6 4,-2.7 2,-0.2 -2,-0.2 0.928 111.6 46.3 -59.4 -45.5 43.5 21.6 66.3 618 131 D K H X S+ 0 0 42 -4,-2.3 4,-2.5 -5,-0.2 -2,-0.2 0.930 112.2 50.8 -60.5 -47.0 44.0 22.1 70.1 619 132 D E H X S+ 0 0 121 -4,-2.3 4,-0.8 1,-0.2 -2,-0.2 0.931 115.3 41.6 -59.1 -48.7 43.0 25.8 69.9 620 133 D V H ><>S+ 0 0 52 -4,-2.6 5,-2.5 1,-0.2 3,-0.8 0.927 114.2 51.1 -65.8 -46.7 39.8 25.1 68.0 621 134 D A H ><5S+ 0 0 8 -4,-2.7 3,-1.6 1,-0.3 -2,-0.2 0.889 107.2 53.0 -61.5 -40.4 38.8 22.0 70.0 622 135 D M H 3<5S+ 0 0 74 -4,-2.5 -1,-0.3 1,-0.3 -2,-0.2 0.687 107.4 52.8 -71.7 -17.8 39.2 23.8 73.3 623 136 D L T <<5S- 0 0 151 -3,-0.8 -1,-0.3 -4,-0.8 -2,-0.2 0.276 127.9 -98.0 -97.2 9.3 36.9 26.6 72.1 624 137 D G T < 5S+ 0 0 63 -3,-1.6 -3,-0.2 1,-0.3 -2,-0.1 0.468 74.7 144.2 93.6 4.3 34.2 24.0 71.1 625 138 D G < - 0 0 33 -5,-2.5 2,-0.9 -6,-0.2 -1,-0.3 -0.396 52.9-114.9 -78.4 155.6 35.0 23.7 67.4 626 139 D D + 0 0 132 1,-0.1 3,-0.2 -2,-0.1 -1,-0.1 -0.782 47.2 151.0 -96.9 101.3 34.6 20.4 65.5 627 140 D V > + 0 0 17 -2,-0.9 3,-2.1 1,-0.1 4,-0.3 0.082 34.5 119.4-108.6 21.0 38.0 19.2 64.2 628 141 D S G > + 0 0 37 1,-0.3 3,-0.7 2,-0.2 8,-0.1 0.768 69.1 57.6 -62.4 -27.9 37.0 15.5 64.3 629 142 D E G 3 S+ 0 0 160 1,-0.2 -1,-0.3 -3,-0.2 -2,-0.1 0.581 106.3 52.0 -76.5 -6.7 37.5 15.0 60.5 630 143 D L G < S+ 0 0 26 -3,-2.1 -128,-2.4 2,-0.1 -127,-0.5 0.403 105.8 54.9-109.6 -2.5 41.1 16.1 60.9 631 144 D L S < S- 0 0 4 -3,-0.7 -130,-0.1 -4,-0.3 5,-0.1 -0.943 91.6 -92.8-133.2 150.1 42.3 13.8 63.7 632 145 D P >> - 0 0 10 0, 0.0 4,-2.2 0, 0.0 3,-1.0 -0.311 42.1-113.7 -58.0 148.3 42.4 10.1 64.3 633 146 D E H 3> S+ 0 0 92 1,-0.3 4,-2.4 2,-0.2 5,-0.2 0.880 116.7 56.3 -55.3 -40.6 39.3 8.9 66.2 634 147 D P H 3> S+ 0 0 24 0, 0.0 4,-1.2 0, 0.0 -1,-0.3 0.832 107.7 49.5 -63.5 -27.5 41.4 7.9 69.3 635 148 D V H <> S+ 0 0 0 -3,-1.0 4,-2.0 2,-0.2 -2,-0.2 0.895 108.9 52.3 -72.4 -41.3 42.7 11.5 69.4 636 149 D N H X S+ 0 0 6 -4,-2.2 4,-1.9 1,-0.2 5,-0.2 0.893 105.2 55.7 -58.1 -41.4 39.2 12.8 69.1 637 150 D R H X S+ 0 0 116 -4,-2.4 4,-1.2 1,-0.2 -1,-0.2 0.871 110.1 45.9 -62.3 -35.4 38.2 10.6 72.1 638 151 D R H < S+ 0 0 52 -4,-1.2 -1,-0.2 2,-0.2 -2,-0.2 0.786 109.4 52.7 -78.9 -31.5 40.9 12.2 74.2 639 152 D L H >< S+ 0 0 8 -4,-2.0 3,-1.1 2,-0.2 4,-0.2 0.883 109.1 49.8 -70.3 -39.7 40.1 15.8 73.3 640 153 D R H >< S+ 0 0 125 -4,-1.9 3,-1.7 1,-0.2 -2,-0.2 0.908 106.0 57.2 -61.5 -42.7 36.4 15.3 74.2 641 154 D D T 3< S+ 0 0 98 -4,-1.2 3,-0.3 1,-0.3 -1,-0.2 0.418 99.5 60.4 -72.4 1.3 37.5 13.8 77.5 642 155 D R T < S+ 0 0 108 -3,-1.1 -1,-0.3 1,-0.2 -2,-0.2 0.405 92.4 65.1-102.0 -12.6 39.4 17.0 78.3 643 156 D L < 0 0 97 -3,-1.7 -1,-0.2 -4,-0.2 -2,-0.1 -0.495 360.0 360.0 -95.8 55.1 36.3 18.9 78.0 644 157 D N 0 0 171 -3,-0.3 -2,-0.1 -2,-0.0 -3,-0.1 0.167 360.0 360.0-133.6 360.0 35.1 17.0 81.1