==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=11-JAN-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 23-JAN-03 1NQU . COMPND 2 MOLECULE: 6,7-DIMETHYL-8-RIBITYLLUMAZINE SYNTHASE; . SOURCE 2 ORGANISM_SCIENTIFIC: AQUIFEX AEOLICUS; . AUTHOR X.ZHANG,W.MEINING,M.CUSHMAN,I.HAASE,M.FISCHER,A.BACHER,R.LAD . 770 5 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 27610.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 601 78.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 130 16.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 20 2.6 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 . 5 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 5 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 3 0.4 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 . 26 3.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 83 10.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 311 40.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 10 1.3 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 4 1 0 5 0 0 0 0 0 0 0 5 0 5 5 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 5 0 5 5 0 5 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 5 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 . 5 0 0 5 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 1 A M 0 0 67 0, 0.0 2,-0.5 0, 0.0 668,-0.2 0.000 360.0 360.0 360.0 135.2 171.1 17.5 109.2 2 2 A Q E -a 669 0A 95 666,-2.2 668,-3.2 663,-0.2 2,-0.5 -0.802 360.0-167.7 -79.7 127.4 167.4 18.4 109.4 3 3 A I E -a 670 0A 95 -2,-0.5 2,-0.4 666,-0.2 668,-0.2 -0.979 8.2-172.5-123.5 125.2 166.8 20.2 112.8 4 4 A Y E +a 671 0A 44 666,-2.9 668,-2.3 -2,-0.5 2,-0.3 -0.956 18.2 150.1-114.1 132.2 163.3 20.8 114.2 5 5 A E - 0 0 106 -2,-0.4 2,-0.5 666,-0.2 668,-0.1 -0.976 37.8-119.3-152.0 162.5 162.7 22.9 117.3 6 6 A G - 0 0 5 -2,-0.3 139,-0.1 666,-0.2 140,-0.1 -0.910 20.5-141.2-105.9 134.5 160.2 25.2 118.8 7 7 A K - 0 0 134 -2,-0.5 141,-0.3 137,-0.1 142,-0.2 -0.269 19.6-122.2 -75.7 177.9 160.7 28.9 119.7 8 8 A L S S+ 0 0 65 140,-0.1 2,-0.4 -2,-0.1 137,-0.1 0.302 74.6 108.8-112.5 10.3 159.3 30.4 122.8 9 9 A T - 0 0 78 1,-0.1 33,-0.2 135,-0.1 -2,-0.1 -0.747 50.3-163.7 -86.8 136.3 157.2 33.3 121.3 10 10 A A > + 0 0 0 31,-3.1 3,-2.2 -2,-0.4 34,-0.3 0.188 30.5 146.4-112.3 15.5 153.5 32.4 121.7 11 11 A E T 3 S+ 0 0 169 30,-0.4 32,-0.2 1,-0.3 3,-0.1 -0.269 78.4 6.1 -54.3 130.3 151.8 34.8 119.3 12 12 A G T 3 S+ 0 0 48 30,-0.4 -1,-0.3 1,-0.2 2,-0.2 0.356 96.8 133.3 80.3 -7.6 148.8 33.1 117.8 13 13 A L < - 0 0 1 -3,-2.2 31,-0.5 25,-0.1 2,-0.4 -0.517 42.6-151.7 -84.3 150.4 149.0 30.0 120.0 14 14 A R - 0 0 76 -2,-0.2 59,-2.5 -3,-0.1 60,-0.9 -0.976 14.4-166.7-125.4 126.4 145.9 28.6 121.8 15 15 A F E -ef 48 74B 1 32,-1.6 34,-2.7 -2,-0.4 2,-0.4 -0.900 15.9-152.3-121.4 144.4 146.2 26.7 125.0 16 16 A G E -ef 49 75B 0 58,-2.5 60,-2.8 -2,-0.4 2,-0.4 -0.895 14.0-167.5-106.7 136.6 144.0 24.5 127.1 17 17 A I E -ef 50 76B 0 32,-2.7 34,-3.0 -2,-0.4 2,-0.5 -1.000 4.8-166.8-121.4 128.2 144.7 24.3 130.8 18 18 A V E +ef 51 77B 0 58,-2.2 60,-3.0 -2,-0.4 2,-0.4 -0.980 15.3 179.9-113.8 121.8 143.1 21.6 133.0 19 19 A A E -ef 52 78B 1 32,-2.5 34,-1.7 -2,-0.5 60,-0.2 -0.983 17.6-140.7-129.7 126.4 143.5 22.4 136.7 20 20 A S E -e 53 0B 3 58,-1.9 35,-0.2 -2,-0.4 36,-0.1 -0.416 7.2-141.8 -83.2 160.1 142.2 20.4 139.7 21 21 A R > + 0 0 84 32,-1.7 3,-1.4 33,-0.5 34,-0.2 0.664 69.1 103.4 -95.3 -23.2 140.7 21.9 142.8 22 22 A F T 3 S+ 0 0 137 32,-1.4 58,-0.4 1,-0.3 5,-0.2 -0.428 98.3 12.3 -60.4 137.8 142.2 19.5 145.5 23 23 A N T >> S+ 0 0 52 1,-0.1 4,-2.5 3,-0.1 3,-2.0 0.871 85.5 166.4 58.7 37.1 145.1 21.4 147.2 24 24 A H H <> + 0 0 108 -3,-1.4 4,-3.0 1,-0.3 5,-0.3 0.767 62.2 69.2 -57.5 -29.5 143.8 24.6 145.5 25 25 A A H 34 S+ 0 0 56 1,-0.2 -1,-0.3 2,-0.2 4,-0.2 0.791 114.8 30.6 -62.3 -25.5 145.8 27.0 147.6 26 26 A L H X> S+ 0 0 24 -3,-2.0 4,-1.5 2,-0.1 3,-0.8 0.820 117.5 54.5 -94.8 -44.8 148.8 25.6 145.7 27 27 A V H 3X S+ 0 0 1 -4,-2.5 4,-2.6 1,-0.3 5,-0.2 0.906 102.5 59.9 -55.3 -41.7 147.1 24.7 142.3 28 28 A D H 3X S+ 0 0 46 -4,-3.0 4,-1.9 1,-0.2 -1,-0.3 0.847 103.3 51.1 -59.2 -32.6 145.9 28.3 142.1 29 29 A R H <> S+ 0 0 89 -3,-0.8 4,-2.1 -5,-0.3 -1,-0.2 0.879 108.8 51.3 -68.2 -38.9 149.5 29.5 142.2 30 30 A L H X S+ 0 0 0 -4,-1.5 4,-2.6 2,-0.2 -2,-0.2 0.910 109.3 50.5 -62.4 -41.5 150.4 27.0 139.4 31 31 A V H X S+ 0 0 9 -4,-2.6 4,-2.4 2,-0.2 5,-0.2 0.920 108.4 51.8 -62.5 -45.1 147.5 28.4 137.3 32 32 A E H X S+ 0 0 108 -4,-1.9 4,-2.4 -5,-0.2 -1,-0.2 0.911 111.5 49.0 -55.6 -43.7 148.7 32.0 137.8 33 33 A G H X S+ 0 0 7 -4,-2.1 4,-2.5 2,-0.2 -2,-0.2 0.921 110.1 49.4 -64.3 -43.9 152.2 30.9 136.7 34 34 A A H X S+ 0 0 0 -4,-2.6 4,-2.3 2,-0.2 -2,-0.2 0.927 113.6 45.8 -62.5 -46.1 150.9 29.1 133.5 35 35 A I H X S+ 0 0 42 -4,-2.4 4,-2.9 1,-0.2 5,-0.3 0.947 112.8 49.5 -64.6 -44.7 148.8 32.1 132.5 36 36 A D H X S+ 0 0 59 -4,-2.4 4,-2.8 -5,-0.2 5,-0.3 0.904 109.9 52.1 -60.8 -43.3 151.5 34.6 133.1 37 37 A C H X S+ 0 0 0 -4,-2.5 4,-1.1 2,-0.2 -1,-0.2 0.936 113.1 44.7 -58.2 -47.3 154.0 32.5 131.1 38 38 A I H ><>S+ 0 0 1 -4,-2.3 5,-2.5 -5,-0.2 3,-0.6 0.967 116.2 45.0 -62.4 -51.9 151.7 32.4 128.2 39 39 A V H ><5S+ 0 0 60 -4,-2.9 3,-1.7 1,-0.2 -2,-0.2 0.917 113.0 47.6 -63.1 -44.7 150.7 36.0 128.2 40 40 A R H 3<5S+ 0 0 176 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.687 107.0 58.4 -79.0 -10.3 154.2 37.5 128.7 41 41 A H T <<5S- 0 0 53 -4,-1.1 -31,-3.1 -3,-0.6 -30,-0.4 0.390 131.4 -92.5 -88.7 1.5 155.5 35.2 125.9 42 42 A G T < 5S+ 0 0 41 -3,-1.7 -30,-0.4 1,-0.3 -3,-0.2 0.455 82.0 134.9 105.9 -0.0 152.9 36.9 123.6 43 43 A G < - 0 0 5 -5,-2.5 2,-0.4 -6,-0.2 -1,-0.3 -0.495 56.1-118.2 -76.5 149.7 149.9 34.6 123.8 44 44 A R > - 0 0 139 -31,-0.5 3,-1.8 -34,-0.3 -1,-0.1 -0.761 8.0-137.7 -89.2 138.0 146.6 36.2 124.3 45 45 A E G > S+ 0 0 76 -2,-0.4 3,-1.8 1,-0.3 112,-0.2 0.836 104.8 63.8 -58.2 -34.0 144.6 35.4 127.4 46 46 A E G 3 S+ 0 0 96 1,-0.3 111,-0.3 110,-0.2 -1,-0.3 0.707 95.3 60.9 -61.8 -21.0 141.5 35.1 125.3 47 47 A D G < S+ 0 0 33 -3,-1.8 -32,-1.6 -34,-0.1 2,-0.4 0.243 86.2 93.7 -95.5 12.8 143.1 32.2 123.6 48 48 A I E < -e 15 0B 0 -3,-1.8 109,-1.8 -34,-0.2 2,-0.5 -0.875 57.6-161.4-101.0 135.0 143.4 30.2 126.8 49 49 A T E -eg 16 157B 6 -34,-2.7 -32,-2.7 -2,-0.4 2,-0.5 -0.991 9.3-163.1-114.5 122.2 140.7 27.7 127.8 50 50 A L E -eg 17 158B 4 107,-3.0 109,-2.9 -2,-0.5 2,-0.5 -0.907 5.5-172.1-107.5 127.4 140.7 26.8 131.5 51 51 A V E -eg 18 159B 0 -34,-3.0 -32,-2.5 -2,-0.5 2,-0.4 -0.983 9.3-153.2-119.0 127.2 138.8 23.7 132.6 52 52 A R E +e 19 0B 59 107,-2.3 109,-0.3 -2,-0.5 -32,-0.2 -0.819 15.7 177.0-100.5 141.7 138.5 23.0 136.4 53 53 A V E -e 20 0B 0 -34,-1.7 -32,-1.7 -2,-0.4 -31,-0.2 -0.909 37.6-110.8-136.6 160.3 138.0 19.5 137.8 54 54 A P S S- 0 0 19 0, 0.0 -32,-1.4 0, 0.0 -33,-0.5 0.940 85.9 -10.7 -58.2 -55.4 137.8 18.1 141.3 55 55 A G S >> S- 0 0 9 -34,-0.2 3,-1.3 -35,-0.2 4,-0.5 -0.855 75.3 -87.7-141.6 175.5 141.1 16.3 141.6 56 56 A S G >4 S+ 0 0 8 1,-0.3 3,-1.4 -2,-0.3 25,-0.1 0.852 119.6 65.3 -54.7 -36.2 144.1 15.0 139.8 57 57 A W G 34 S+ 0 0 21 1,-0.3 4,-0.4 2,-0.1 -1,-0.3 0.848 102.4 47.8 -53.3 -37.1 142.2 11.8 139.0 58 58 A E G <> S+ 0 0 17 -3,-1.3 4,-1.4 1,-0.2 -1,-0.3 0.498 87.7 88.5 -86.7 -6.6 139.8 13.8 136.9 59 59 A I H S+ 0 0 9 0, 0.0 4,-2.6 0, 0.0 -1,-0.2 0.916 105.7 49.8 -57.3 -47.6 142.9 13.1 132.1 61 61 A V H > S+ 0 0 7 -4,-0.4 4,-1.2 1,-0.2 -2,-0.2 0.890 116.0 44.0 -63.2 -36.4 139.3 12.8 131.0 62 62 A A H X S+ 0 0 0 -4,-1.4 4,-2.1 2,-0.2 3,-0.3 0.905 111.8 52.7 -69.9 -40.2 138.9 16.6 130.8 63 63 A A H X S+ 0 0 0 -4,-2.8 4,-3.1 1,-0.2 5,-0.2 0.877 104.0 58.5 -61.8 -36.3 142.3 16.9 129.1 64 64 A G H X S+ 0 0 1 -4,-2.6 4,-1.0 -5,-0.2 -1,-0.2 0.874 106.0 48.3 -59.6 -39.7 141.1 14.4 126.5 65 65 A E H < S+ 0 0 7 -4,-1.2 4,-0.3 -3,-0.3 -2,-0.2 0.913 115.4 43.9 -69.5 -42.2 138.1 16.6 125.6 66 66 A L H >< S+ 0 0 0 -4,-2.1 3,-1.6 1,-0.2 -2,-0.2 0.907 110.0 54.0 -68.3 -41.4 140.3 19.7 125.3 67 67 A A H 3< S+ 0 0 2 -4,-3.1 -1,-0.2 1,-0.3 -2,-0.2 0.769 101.0 61.9 -67.5 -22.1 143.1 18.0 123.3 68 68 A R T 3< S+ 0 0 81 -4,-1.0 2,-0.3 -5,-0.2 -1,-0.3 0.616 80.9 103.7 -77.3 -12.2 140.5 16.8 120.8 69 69 A K X - 0 0 62 -3,-1.6 3,-1.6 -4,-0.3 -3,-0.0 -0.525 67.6-145.3 -74.0 130.1 139.6 20.5 119.9 70 70 A E T 3 S+ 0 0 159 -2,-0.3 -1,-0.1 1,-0.3 -4,-0.0 0.788 98.2 55.9 -64.2 -27.6 141.1 21.5 116.6 71 71 A D T 3 S+ 0 0 75 2,-0.0 2,-0.5 -56,-0.0 -1,-0.3 0.195 88.6 87.5 -95.2 18.5 141.6 25.1 117.9 72 72 A I < - 0 0 4 -3,-1.6 -57,-0.2 -6,-0.1 3,-0.1 -0.971 54.3-172.4-114.9 121.8 143.7 24.0 120.9 73 73 A D - 0 0 35 -59,-2.5 2,-0.3 -2,-0.5 -58,-0.2 0.776 68.6 -4.3 -85.1 -28.4 147.4 23.7 120.1 74 74 A A E -f 15 0B 0 -60,-0.9 -58,-2.5 35,-0.1 2,-0.4 -0.972 62.4-134.1-160.6 152.3 148.5 22.1 123.3 75 75 A V E -fh 16 111B 0 35,-2.3 37,-2.8 -2,-0.3 2,-0.5 -0.939 10.7-155.7-115.6 137.4 147.1 21.2 126.7 76 76 A I E -fh 17 112B 0 -60,-2.8 -58,-2.2 -2,-0.4 2,-0.5 -0.964 10.1-151.1-113.0 120.1 148.8 22.0 130.1 77 77 A A E -fh 18 113B 0 35,-2.4 37,-2.5 -2,-0.5 2,-0.4 -0.803 16.5-175.9 -96.3 125.1 147.8 19.7 133.0 78 78 A I E +fh 19 114B 0 -60,-3.0 -58,-1.9 -2,-0.5 2,-0.3 -0.975 19.5 123.4-129.0 124.0 148.0 21.3 136.4 79 79 A G E - h 0 115B 0 35,-1.2 37,-2.5 -2,-0.4 2,-0.4 -0.975 44.3-125.4-163.5 170.4 147.4 19.6 139.8 80 80 A V E - h 0 116B 2 -58,-0.4 2,-0.5 -2,-0.3 -24,-0.2 -0.956 19.8-176.7-134.1 112.8 149.0 19.0 143.2 81 81 A L E - h 0 117B 15 35,-2.8 37,-3.1 -2,-0.4 2,-0.4 -0.927 4.0-176.5-104.2 128.7 149.3 15.5 144.7 82 82 A I E - h 0 118B 37 -2,-0.5 37,-0.2 35,-0.2 38,-0.1 -0.998 32.6-109.5-128.1 128.2 150.8 15.2 148.2 83 83 A R - 0 0 86 35,-2.5 2,-0.1 -2,-0.4 38,-0.1 -0.264 36.4-169.3 -60.8 132.7 151.4 11.8 149.7 84 84 A G - 0 0 52 2,-0.5 -1,-0.1 36,-0.1 0, 0.0 -0.234 44.9 -75.9-101.0-159.5 149.1 10.9 152.5 85 85 A A S S+ 0 0 59 -2,-0.1 189,-0.1 193,-0.0 -2,-0.1 0.762 112.0 51.6 -74.8 -26.9 149.2 8.0 155.0 86 86 A T S > S- 0 0 9 187,-0.1 3,-0.7 192,-0.1 -2,-0.5 -0.559 95.7-102.4-106.9 170.9 148.1 5.4 152.5 87 87 A P T >> S+ 0 0 6 0, 0.0 4,-1.5 0, 0.0 3,-0.6 0.349 89.0 109.8 -73.0 8.8 149.2 4.4 149.0 88 88 A H H 3> S+ 0 0 49 184,-0.5 4,-2.2 1,-0.2 5,-0.2 0.904 74.4 56.3 -48.3 -47.3 146.2 6.3 147.6 89 89 A F H <> S+ 0 0 8 -3,-0.7 4,-2.9 1,-0.2 5,-0.3 0.879 103.2 53.9 -50.9 -44.3 148.7 8.9 146.2 90 90 A D H <> S+ 0 0 48 -3,-0.6 4,-2.4 1,-0.2 -1,-0.2 0.908 109.1 46.5 -62.3 -44.1 150.6 6.3 144.3 91 91 A Y H X S+ 0 0 17 -4,-1.5 4,-2.0 -3,-0.2 -1,-0.2 0.904 116.3 44.6 -69.8 -39.8 147.6 5.0 142.4 92 92 A I H X S+ 0 0 23 -4,-2.2 4,-2.8 -5,-0.2 5,-0.3 0.948 114.7 48.0 -67.8 -47.3 146.3 8.5 141.5 93 93 A A H X S+ 0 0 2 -4,-2.9 4,-2.2 -5,-0.2 5,-0.3 0.917 111.8 51.9 -61.0 -40.8 149.7 9.8 140.4 94 94 A S H X S+ 0 0 43 -4,-2.4 4,-2.5 -5,-0.3 -1,-0.2 0.935 114.4 40.7 -61.1 -47.1 150.3 6.7 138.4 95 95 A E H X S+ 0 0 20 -4,-2.0 4,-2.3 2,-0.2 -2,-0.2 0.841 112.9 52.5 -77.1 -30.0 147.0 6.9 136.5 96 96 A V H X S+ 0 0 1 -4,-2.8 4,-2.1 2,-0.2 5,-0.2 0.937 114.7 43.5 -68.4 -43.6 147.1 10.7 136.0 97 97 A S H X S+ 0 0 1 -4,-2.2 4,-2.1 -5,-0.3 5,-0.2 0.951 115.8 47.2 -66.0 -44.6 150.6 10.5 134.5 98 98 A K H X S+ 0 0 17 -4,-2.5 4,-2.7 -5,-0.3 5,-0.2 0.926 112.7 50.7 -63.0 -42.2 149.7 7.4 132.4 99 99 A G H X S+ 0 0 4 -4,-2.3 4,-2.5 1,-0.2 -1,-0.2 0.923 111.2 45.2 -62.8 -48.5 146.5 9.0 131.1 100 100 A L H X S+ 0 0 0 -4,-2.1 4,-2.1 2,-0.2 -1,-0.2 0.904 114.8 48.3 -62.4 -43.3 148.0 12.2 130.0 101 101 A A H X S+ 0 0 13 -4,-2.1 4,-1.7 -5,-0.2 -2,-0.2 0.923 112.9 48.3 -65.5 -42.6 150.9 10.6 128.3 102 102 A N H X S+ 0 0 38 -4,-2.7 4,-2.7 -5,-0.2 -2,-0.2 0.895 110.4 51.4 -63.2 -43.4 148.7 8.1 126.5 103 103 A L H X S+ 0 0 1 -4,-2.5 4,-2.9 1,-0.2 5,-0.2 0.901 105.6 55.4 -62.3 -41.1 146.3 10.9 125.4 104 104 A S H X>S+ 0 0 8 -4,-2.1 5,-1.5 1,-0.2 4,-0.8 0.929 113.0 41.7 -59.0 -43.5 149.1 12.9 124.0 105 105 A L H <5S+ 0 0 21 -4,-1.7 3,-0.3 2,-0.2 -2,-0.2 0.911 115.1 49.7 -70.4 -42.4 150.2 9.9 121.8 106 106 A E H <5S+ 0 0 126 -4,-2.7 -2,-0.2 1,-0.2 -1,-0.2 0.909 120.6 35.2 -63.5 -42.6 146.7 8.9 120.8 107 107 A L H <5S- 0 0 40 -4,-2.9 -1,-0.2 -5,-0.2 -2,-0.2 0.472 100.7-132.0 -93.3 -0.6 145.8 12.5 119.8 108 108 A R T <5 + 0 0 62 -4,-0.8 -3,-0.2 -3,-0.3 -4,-0.1 0.912 67.9 118.3 46.8 52.9 149.2 13.4 118.4 109 109 A K S S- 0 0 60 1,-0.1 4,-1.8 -38,-0.1 5,-0.1 -0.897 75.5-120.2-130.7 160.4 155.4 16.4 151.6 121 121 A L H > S+ 0 0 101 -2,-0.3 4,-2.6 1,-0.2 5,-0.2 0.913 114.9 57.0 -60.6 -42.0 153.5 19.7 151.9 122 122 A E H > S+ 0 0 134 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.910 105.2 50.9 -57.8 -43.8 156.8 21.6 152.1 123 123 A Q H > S+ 0 0 28 1,-0.2 4,-1.2 2,-0.2 -1,-0.2 0.876 109.7 50.6 -61.4 -38.7 157.9 20.1 148.7 124 124 A A H < S+ 0 0 0 -4,-1.8 4,-0.5 2,-0.2 3,-0.4 0.921 110.2 48.8 -63.9 -43.9 154.6 21.1 147.2 125 125 A I H >< S+ 0 0 73 -4,-2.6 3,-1.4 1,-0.2 5,-0.3 0.923 106.8 57.1 -61.9 -43.2 155.0 24.7 148.4 126 126 A E H 3X S+ 0 0 27 -4,-2.5 6,-2.8 1,-0.3 4,-0.7 0.827 112.2 41.8 -53.6 -35.0 158.6 24.8 147.1 127 127 A R T 3< S+ 0 0 20 -4,-1.2 8,-2.3 -3,-0.4 -1,-0.3 0.349 100.2 73.0 -99.4 0.9 157.3 23.9 143.6 128 128 A A E <4 S-I 134 0C 7 -3,-1.4 6,-0.2 -4,-0.5 -1,-0.2 -0.365 130.6 -48.4-113.5 49.2 154.2 26.2 143.6 129 129 A G E 4 S+ 0 0 45 4,-2.6 5,-0.2 -3,-0.3 -2,-0.1 0.719 115.3 84.2 95.1 21.3 155.8 29.6 143.2 130 130 A T E >< S-I 133 0C 76 3,-1.1 3,-2.1 -4,-0.7 -1,-0.2 -0.132 97.2 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165.0 14.8 142.7 705 85 E A S S+ 0 0 59 -2,-0.1 -586,-0.1 -582,-0.0 -582,-0.1 0.759 111.9 50.6 -77.9 -25.9 163.5 15.0 146.2 706 86 E T S > S- 0 0 9 -588,-0.1 3,-0.7 -583,-0.1 -2,-0.5 -0.552 95.6-101.5-107.2 172.0 160.0 13.9 145.1 707 87 E P T >> S+ 0 0 5 0, 0.0 4,-1.6 0, 0.0 3,-0.7 0.378 89.3 109.6 -73.3 8.8 158.7 11.0 143.1 708 88 E H H 3> S+ 0 0 48 -591,-0.5 4,-2.2 1,-0.2 5,-0.2 0.889 74.5 56.3 -48.7 -47.0 158.3 13.3 140.0 709 89 E F H <> S+ 0 0 8 -3,-0.7 4,-2.9 1,-0.2 5,-0.3 0.873 103.4 53.6 -50.6 -45.5 161.2 11.4 138.4 710 90 E D H <> S+ 0 0 49 -3,-0.7 4,-2.6 1,-0.2 -1,-0.2 0.921 109.4 46.4 -61.1 -46.0 159.5 8.0 138.7 711 91 E Y H X S+ 0 0 17 -4,-1.6 4,-2.0 2,-0.2 -1,-0.2 0.913 116.5 44.6 -68.2 -40.8 156.3 9.2 137.0 712 92 E I H X S+ 0 0 23 -4,-2.2 4,-2.7 -5,-0.2 5,-0.3 0.956 115.1 47.7 -66.5 -46.8 158.2 10.8 134.1 713 93 E A H X S+ 0 0 2 -4,-2.9 4,-2.1 1,-0.2 5,-0.3 0.903 111.5 51.7 -61.8 -41.8 160.6 7.9 133.7 714 94 E S H X S+ 0 0 42 -4,-2.6 4,-2.4 -5,-0.3 -1,-0.2 0.935 114.2 41.6 -60.5 -47.7 157.8 5.4 133.7 715 95 E E H X S+ 0 0 20 -4,-2.0 4,-2.4 2,-0.2 -2,-0.2 0.829 112.4 52.1 -74.8 -30.1 155.8 7.2 131.0 716 96 E V H X S+ 0 0 2 -4,-2.7 4,-2.2 2,-0.2 5,-0.2 0.941 114.7 43.6 -69.8 -43.0 158.7 8.1 128.8 717 97 E S H X S+ 0 0 1 -4,-2.1 4,-2.1 -5,-0.3 5,-0.2 0.944 116.1 47.1 -65.7 -45.5 159.8 4.5 128.7 718 98 E K H X S+ 0 0 17 -4,-2.4 4,-2.7 -5,-0.3 5,-0.2 0.925 112.8 50.2 -61.4 -46.0 156.3 3.2 128.3 719 99 E G H X S+ 0 0 4 -4,-2.4 4,-2.5 1,-0.2 -1,-0.2 0.920 111.5 45.5 -59.7 -48.7 155.5 5.6 125.5 720 100 E L H X S+ 0 0 0 -4,-2.2 4,-2.1 2,-0.2 -1,-0.2 0.914 114.6 48.3 -62.4 -43.6 158.6 4.9 123.5 721 101 E A H X S+ 0 0 13 -4,-2.1 4,-1.7 -5,-0.2 -2,-0.2 0.927 112.7 48.3 -65.2 -42.8 158.2 1.2 123.8 722 102 E N H X S+ 0 0 38 -4,-2.7 4,-2.9 -5,-0.2 -1,-0.2 0.902 110.3 51.5 -64.2 -41.0 154.5 1.3 122.9 723 103 E L H X S+ 0 0 1 -4,-2.5 4,-2.9 1,-0.2 6,-0.2 0.904 105.9 55.3 -64.5 -39.3 155.2 3.5 119.9 724 104 E S H X>S+ 0 0 8 -4,-2.1 5,-1.6 1,-0.2 4,-0.7 0.922 113.2 41.4 -59.5 -43.1 157.8 1.1 118.6 725 105 E L H <5S+ 0 0 21 -4,-1.7 3,-0.3 2,-0.2 -2,-0.2 0.909 115.3 50.1 -72.3 -42.6 155.3 -1.8 118.7 726 106 E E H <5S+ 0 0 122 -4,-2.9 -2,-0.2 1,-0.2 -1,-0.2 0.914 120.7 34.5 -61.3 -44.5 152.4 0.3 117.3 727 107 E L H <5S- 0 0 40 -4,-2.9 -1,-0.2 -5,-0.2 -2,-0.2 0.477 101.1-131.7 -92.9 -0.9 154.5 1.6 114.4 728 108 E R T <5 + 0 0 64 -4,-0.7 -3,-0.2 -3,-0.3 -4,-0.1 0.909 68.1 118.5 47.9 53.7 156.5 -1.6 113.9 729 109 E K S S- 0 0 59 1,-0.1 4,-1.8 -38,-0.1 5,-0.1 -0.908 75.4-119.9-131.0 159.1 172.4 11.0 141.1 741 121 E L H > S+ 0 0 100 -2,-0.3 4,-2.6 1,-0.2 5,-0.2 0.909 114.9 57.3 -59.3 -43.0 174.1 13.6 139.1 742 122 E E H > S+ 0 0 135 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.920 105.1 50.9 -56.1 -44.3 177.3 11.7 139.3 743 123 E Q H > S+ 0 0 28 1,-0.2 4,-1.2 2,-0.2 -1,-0.2 0.886 109.7 50.4 -62.6 -38.2 175.6 8.7 137.7 744 124 E A H < S+ 0 0 0 -4,-1.8 3,-0.5 2,-0.2 4,-0.5 0.932 110.2 48.9 -64.7 -43.8 174.3 10.8 134.9 745 125 E I H >< S+ 0 0 74 -4,-2.6 3,-1.4 1,-0.2 5,-0.4 0.910 106.8 57.3 -62.0 -42.7 177.8 12.3 134.3 746 126 E E H 3X S+ 0 0 26 -4,-2.6 6,-2.6 1,-0.3 4,-0.6 0.828 112.1 41.8 -54.2 -35.2 179.3 8.7 134.2 747 127 E R T 3< S+ 0 0 20 -4,-1.2 8,-2.2 -3,-0.5 -1,-0.3 0.351 100.3 72.9 -98.4 2.6 176.9 7.8 131.5 748 128 E A E <4 S-Y 754 0J 7 -3,-1.4 6,-0.2 -4,-0.5 -1,-0.2 -0.363 130.5 -48.0-115.0 51.5 177.2 10.9 129.4 749 129 E G E 4 S+ 0 0 46 4,-2.7 5,-0.2 -3,-0.3 -2,-0.1 0.681 115.5 83.8 93.8 21.3 180.6 10.5 127.9 750 130 E T E >< S-Y 753 0J 76 3,-1.0 3,-2.1 -4,-0.6 -1,-0.2 -0.085 97.3 -24.1-123.5-132.7 182.7 9.6 130.9 751 131 E K T 3 S+ 0 0 164 1,-0.3 -4,-0.1 -2,-0.1 -5,-0.1 0.712 134.4 42.8 -63.4 -22.5 183.5 6.5 132.8 752 132 E H T 3 S- 0 0 82 -6,-2.6 -1,-0.3 1,-0.4 2,-0.1 0.004 113.3-115.4-108.1 26.0 180.4 4.4 131.9 753 133 E G E < -Y 750 0J 30 -3,-2.1 -4,-2.7 1,-0.1 -3,-1.0 -0.358 41.8 -56.5 82.9-156.5 180.4 5.4 128.2 754 134 E N E > -Y 748 0J 27 -6,-0.2 4,-2.1 -5,-0.2 3,-0.3 -0.952 32.4-159.2-136.0 111.4 177.9 7.5 126.3 755 135 E K H > S+ 0 0 39 -8,-2.2 4,-2.3 -2,-0.4 5,-0.2 0.735 94.2 58.2 -67.5 -23.9 174.3 6.3 126.2 756 136 E G H > S+ 0 0 0 -9,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.900 106.6 47.6 -68.1 -46.3 173.6 8.3 123.1 757 137 E W H > S+ 0 0 81 -3,-0.3 4,-2.4 2,-0.2 -2,-0.2 0.946 113.6 48.7 -57.8 -46.1 176.4 6.4 121.3 758 138 E E H X S+ 0 0 89 -4,-2.1 4,-2.2 1,-0.2 -2,-0.2 0.908 111.6 47.9 -62.5 -44.8 175.0 3.1 122.6 759 139 E A H X S+ 0 0 5 -4,-2.3 4,-1.9 1,-0.2 -1,-0.2 0.870 112.5 50.3 -67.0 -32.8 171.3 3.9 121.5 760 140 E A H X S+ 0 0 0 -4,-2.2 4,-2.2 2,-0.2 -2,-0.2 0.920 108.7 50.6 -68.7 -44.1 172.6 5.0 118.1 761 141 E L H X S+ 0 0 42 -4,-2.4 4,-2.2 1,-0.2 -2,-0.2 0.906 110.4 51.0 -60.5 -42.5 174.5 1.8 117.6 762 142 E S H X S+ 0 0 10 -4,-2.2 4,-2.7 1,-0.2 -1,-0.2 0.907 108.7 51.4 -59.3 -41.4 171.4 -0.2 118.6 763 143 E A H X S+ 0 0 0 -4,-1.9 4,-2.6 2,-0.2 -2,-0.2 0.877 107.6 52.5 -65.8 -38.4 169.4 1.8 116.0 764 144 E I H X S+ 0 0 0 -4,-2.2 4,-2.4 2,-0.2 5,-0.2 0.958 112.5 45.1 -58.2 -49.7 171.9 1.1 113.3 765 145 E E H X S+ 0 0 14 -4,-2.2 4,-2.6 1,-0.2 -2,-0.2 0.914 114.8 47.6 -62.5 -45.4 171.7 -2.6 114.0 766 146 E M H X S+ 0 0 0 -4,-2.7 4,-2.7 2,-0.2 -1,-0.2 0.884 109.8 51.7 -66.2 -40.4 167.9 -2.6 114.3 767 147 E A H X S+ 0 0 5 -4,-2.6 4,-1.2 2,-0.2 -1,-0.2 0.936 113.0 46.0 -62.2 -43.9 167.4 -0.6 111.0 768 148 E N H X S+ 0 0 9 -4,-2.4 4,-0.6 -141,-0.3 3,-0.4 0.912 112.1 51.1 -63.2 -43.3 169.6 -3.1 109.2 769 149 E L H >X S+ 0 0 0 -4,-2.6 4,-2.4 1,-0.2 3,-1.5 0.921 107.2 54.2 -58.2 -45.2 167.8 -6.1 110.8 770 150 E F H 3X S+ 0 0 17 -4,-2.7 4,-1.9 1,-0.3 -1,-0.2 0.755 88.7 75.8 -67.0 -23.6 164.5 -4.6 109.8 771 151 E K H 3< S+ 0 0 131 -4,-1.2 -1,-0.3 -3,-0.4 -2,-0.2 0.843 116.3 20.6 -57.4 -29.4 165.6 -4.4 106.1 772 152 E S H << S+ 0 0 68 -3,-1.5 -2,-0.2 -4,-0.6 -1,-0.2 0.721 128.2 48.3-105.1 -29.2 165.0 -8.2 106.1 773 153 E L H < 0 0 3 -4,-2.4 -3,-0.2 -5,-0.2 -2,-0.2 0.851 360.0 360.0 -81.8 -36.1 162.7 -8.8 109.0 774 154 E R < 0 0 148 -4,-1.9 -45,-0.0 -5,-0.2 -247,-0.0 -0.454 360.0 360.0 -79.8 360.0 160.0 -6.1 108.5