==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=18-JAN-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 06-FEB-02 1KYY . COMPND 2 MOLECULE: 6,7-DIMETHYL-8-RIBITYLLUMAZINE SYNTHASE; . SOURCE 2 ORGANISM_SCIENTIFIC: SCHIZOSACCHAROMYCES POMBE; . AUTHOR S.GERHARDT,I.HAASE,S.STEINBACHER,J.T.KAISER,M.CUSHMAN,A.BACH . 744 5 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 28470.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 587 78.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 110 14.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 10 1.3 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 5 0.7 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 . 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 . 47 6.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 78 10.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 305 41.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 11 1.5 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 5 0 0 0 5 0 0 3 1 0 1 0 5 5 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 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 . 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 0 ANTIPARALLEL BRIDGES PER LADDER . 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 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 10 A P 0 0 88 0, 0.0 3,-0.1 0, 0.0 142,-0.0 0.000 360.0 360.0 360.0 123.6 86.4 10.9 42.0 2 11 A S - 0 0 132 1,-0.2 2,-0.5 0, 0.0 0, 0.0 0.947 360.0 -25.6 -68.1 -96.2 87.3 9.7 45.5 3 12 A D - 0 0 90 2,-0.0 2,-0.4 35,-0.0 -1,-0.2 -0.933 65.4-153.0-129.8 107.2 89.2 12.3 47.5 4 13 A L - 0 0 50 -2,-0.5 2,-0.4 -3,-0.1 139,-0.1 -0.675 10.5-171.6 -87.1 130.1 91.0 15.0 45.5 5 14 A K - 0 0 81 -2,-0.4 34,-0.2 34,-0.1 3,-0.1 -0.967 9.5-179.6-120.6 134.1 94.0 16.7 47.0 6 15 A G > + 0 0 0 32,-2.9 3,-1.4 -2,-0.4 35,-0.3 -0.447 16.3 156.7-134.0 63.2 95.8 19.7 45.4 7 16 A P T 3 S+ 0 0 48 0, 0.0 34,-0.3 0, 0.0 -1,-0.1 0.687 82.5 44.4 -60.0 -19.5 98.7 20.8 47.6 8 17 A E T 3 S+ 0 0 117 -3,-0.1 2,-0.1 32,-0.1 32,-0.1 0.414 86.9 118.6-105.9 -0.6 100.4 22.4 44.6 9 18 A L < - 0 0 0 -3,-1.4 2,-0.6 60,-0.0 32,-0.4 -0.372 52.4-149.8 -69.2 142.0 97.3 24.1 43.1 10 19 A R - 0 0 112 -2,-0.1 60,-3.0 30,-0.1 61,-1.0 -0.972 20.1-169.1-113.0 118.6 97.2 27.9 42.8 11 20 A I E -ab 45 71A 0 33,-1.9 35,-2.2 -2,-0.6 2,-0.4 -0.923 11.1-156.2-116.2 134.4 93.7 29.2 43.1 12 21 A L E -ab 46 72A 0 59,-2.3 61,-2.4 -2,-0.4 2,-0.5 -0.887 6.4-169.2-107.6 136.6 92.3 32.7 42.4 13 22 A I E -ab 47 73A 0 33,-2.4 35,-2.9 -2,-0.4 2,-0.5 -0.980 3.8-177.5-125.6 117.6 89.1 34.0 44.1 14 23 A V E +ab 48 74A 0 59,-2.2 61,-2.9 -2,-0.5 2,-0.3 -0.970 10.0 175.4-115.1 125.7 87.5 37.3 42.8 15 24 A H E -ab 49 75A 28 33,-2.0 35,-1.6 -2,-0.5 61,-0.2 -0.935 25.1-128.9-129.2 151.0 84.4 38.4 44.7 16 25 A A E -a 50 0A 1 59,-1.9 36,-0.2 -2,-0.3 37,-0.0 -0.328 16.9-131.5 -86.7 176.3 82.4 41.6 44.3 17 26 A R > + 0 0 30 34,-2.2 3,-0.7 33,-0.5 2,-0.3 0.376 67.9 109.9-116.1 5.8 81.5 43.7 47.4 18 27 A W T 3 S+ 0 0 97 33,-0.5 59,-0.3 1,-0.3 5,-0.1 -0.629 90.0 12.6 -77.4 138.7 77.8 44.3 47.0 19 28 A N T >> S+ 0 0 22 578,-1.7 4,-1.8 -2,-0.3 3,-1.8 0.933 74.9 175.2 61.2 47.7 75.8 42.4 49.7 20 29 A L H <> + 0 0 44 -3,-0.7 4,-2.4 577,-0.4 -2,-0.1 0.788 69.8 73.5 -52.9 -33.1 79.0 41.6 51.7 21 30 A Q H 34 S+ 0 0 121 1,-0.2 -1,-0.3 2,-0.2 -2,-0.1 0.864 110.0 30.1 -50.8 -38.7 76.8 40.1 54.4 22 31 A A H <> S+ 0 0 5 -3,-1.8 4,-1.2 2,-0.1 -1,-0.2 0.794 116.5 59.8 -92.4 -31.5 76.3 37.1 52.0 23 32 A I H X S+ 0 0 1 -4,-1.8 4,-2.4 2,-0.2 3,-0.4 0.960 97.3 57.4 -61.4 -56.4 79.7 37.4 50.2 24 33 A E H X S+ 0 0 111 -4,-2.4 4,-2.6 1,-0.2 5,-0.2 0.891 107.2 45.6 -44.1 -56.9 81.9 36.9 53.3 25 34 A P H > S+ 0 0 28 0, 0.0 4,-2.8 0, 0.0 -1,-0.2 0.877 112.1 54.4 -58.0 -37.3 80.5 33.5 54.4 26 35 A L H X S+ 0 0 0 -4,-1.2 4,-2.0 -3,-0.4 -2,-0.2 0.943 110.1 44.9 -60.9 -49.8 80.7 32.3 50.7 27 36 A V H X S+ 0 0 17 -4,-2.4 4,-2.9 2,-0.2 5,-0.2 0.940 114.0 50.1 -59.9 -48.4 84.4 33.2 50.4 28 37 A K H X S+ 0 0 132 -4,-2.6 4,-3.4 1,-0.2 5,-0.4 0.929 108.9 51.8 -55.0 -51.6 85.2 31.6 53.8 29 38 A G H X S+ 0 0 5 -4,-2.8 4,-2.2 1,-0.2 -1,-0.2 0.906 112.1 46.6 -52.6 -45.8 83.3 28.4 52.9 30 39 A A H X S+ 0 0 0 -4,-2.0 4,-2.2 -5,-0.2 -2,-0.2 0.964 116.3 43.4 -63.3 -51.9 85.3 28.1 49.7 31 40 A V H X S+ 0 0 22 -4,-2.9 4,-2.5 1,-0.2 5,-0.2 0.961 115.4 47.8 -58.9 -55.1 88.7 28.8 51.3 32 41 A E H X S+ 0 0 91 -4,-3.4 4,-2.7 1,-0.2 5,-0.5 0.895 111.7 50.4 -52.9 -46.1 88.1 26.6 54.4 33 42 A T H X>S+ 0 0 17 -4,-2.2 4,-1.6 -5,-0.4 5,-0.6 0.897 110.8 48.7 -62.1 -41.5 86.9 23.7 52.2 34 43 A M H X5S+ 0 0 0 -4,-2.2 6,-2.2 -5,-0.2 4,-1.2 0.944 119.3 38.4 -64.0 -45.7 89.9 23.9 49.9 35 44 A I H X5S+ 0 0 53 -4,-2.5 4,-1.1 4,-0.2 -2,-0.2 0.977 124.0 35.3 -68.2 -60.4 92.4 24.0 52.8 36 45 A E H <5S+ 0 0 142 -4,-2.7 -3,-0.2 -5,-0.2 -2,-0.2 0.782 131.5 28.0 -69.7 -30.1 90.9 21.6 55.3 37 46 A K H <5S+ 0 0 118 -4,-1.6 -3,-0.2 -5,-0.5 -1,-0.2 0.674 130.8 30.8-109.4 -17.7 89.5 19.1 52.8 38 47 A H H < - 0 0 102 -32,-0.4 3,-2.9 -35,-0.3 4,-0.2 -0.746 7.9-137.3 -89.8 128.2 97.8 25.8 50.9 42 51 A L G > S+ 0 0 121 -2,-0.5 3,-1.4 1,-0.3 -1,-0.1 0.820 105.8 58.2 -45.2 -40.7 96.5 29.2 52.2 43 52 A E G 3 S+ 0 0 158 1,-0.3 -1,-0.3 3,-0.0 -2,-0.0 0.592 100.1 58.0 -70.6 -11.4 99.5 30.9 50.7 44 53 A N G < S+ 0 0 46 -3,-2.9 -33,-1.9 1,-0.1 2,-0.6 0.322 88.3 88.7-101.0 7.3 98.5 29.6 47.3 45 54 A I E < -a 11 0A 13 -3,-1.4 2,-0.4 -4,-0.2 -33,-0.2 -0.908 60.7-162.8-111.6 108.1 95.1 31.2 47.3 46 55 A D E -a 12 0A 62 -35,-2.2 -33,-2.4 -2,-0.6 2,-0.5 -0.729 4.8-163.4 -90.1 137.4 94.9 34.8 46.0 47 56 A I E +a 13 0A 84 -2,-0.4 2,-0.3 -35,-0.2 -33,-0.2 -0.980 14.5 166.8-126.7 121.0 91.8 36.7 47.0 48 57 A E E -a 14 0A 54 -35,-2.9 -33,-2.0 -2,-0.5 2,-0.3 -0.849 16.0-152.3-125.9 163.1 90.8 39.9 45.1 49 58 A S E -a 15 0A 22 -2,-0.3 -33,-0.2 -35,-0.2 3,-0.1 -0.936 6.0-166.7-137.1 159.6 87.7 42.0 45.0 50 59 A V E -a 16 0A 4 -35,-1.6 -33,-0.5 -2,-0.3 6,-0.1 -0.904 38.4-104.6-137.1 160.4 85.9 44.3 42.6 51 60 A P S S- 0 0 16 0, 0.0 -34,-2.2 0, 0.0 -33,-0.5 0.961 91.4 -5.2 -51.9 -62.0 83.0 46.7 43.3 52 61 A G S >> S- 0 0 6 -36,-0.2 3,-1.9 -35,-0.2 4,-0.5 -0.843 74.9 -92.3-135.7 172.9 80.2 44.7 41.7 53 62 A S G >4 S+ 0 0 6 1,-0.3 3,-1.0 -2,-0.3 25,-0.1 0.763 116.8 66.6 -53.1 -30.8 79.3 41.6 39.8 54 63 A W G 34 S+ 0 0 8 1,-0.2 4,-0.5 2,-0.1 -1,-0.3 0.842 101.1 50.2 -61.6 -31.8 79.5 43.5 36.5 55 64 A E G <> S+ 0 0 14 -3,-1.9 4,-3.4 1,-0.2 5,-0.3 0.589 86.1 89.6 -83.6 -11.2 83.3 43.8 37.2 56 65 A L H S+ 0 0 0 0, 0.0 4,-2.2 0, 0.0 -1,-0.2 0.940 117.8 44.3 -57.9 -45.8 84.6 39.0 34.3 58 67 A Q H > S+ 0 0 12 -4,-0.5 4,-2.3 2,-0.2 -2,-0.2 0.904 113.3 50.0 -67.0 -40.6 86.9 42.0 33.8 59 68 A G H X S+ 0 0 9 -4,-3.4 4,-2.0 1,-0.2 -1,-0.2 0.915 112.9 47.2 -63.9 -41.1 88.7 41.5 37.1 60 69 A I H X S+ 0 0 0 -4,-2.6 4,-2.4 -5,-0.3 -1,-0.2 0.889 110.5 52.0 -66.9 -39.3 89.2 37.9 36.4 61 70 A R H X S+ 0 0 81 -4,-2.2 4,-0.9 -5,-0.2 -2,-0.2 0.930 109.8 48.7 -64.4 -46.6 90.5 38.5 32.9 62 71 A A H >X S+ 0 0 28 -4,-2.3 4,-0.9 1,-0.2 3,-0.5 0.927 113.5 47.4 -58.9 -46.5 93.1 41.1 34.1 63 72 A S H >X S+ 0 0 3 -4,-2.0 4,-2.3 1,-0.2 3,-0.7 0.888 107.5 51.4 -67.2 -41.8 94.4 38.8 36.8 64 73 A I H 3< S+ 0 0 28 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.661 106.7 57.9 -72.2 -10.6 94.8 35.6 34.9 65 74 A A H << S+ 0 0 77 -4,-0.9 -1,-0.2 -3,-0.5 -2,-0.2 0.748 112.0 40.5 -84.4 -27.1 96.8 37.6 32.3 66 75 A R H << S+ 0 0 147 -4,-0.9 2,-0.2 -3,-0.7 -2,-0.2 0.866 124.3 20.0 -87.4 -44.3 99.3 38.7 35.1 67 76 A N S < S- 0 0 78 -4,-2.3 2,-0.5 2,-0.0 -1,-0.0 -0.616 79.1-106.7-119.3-178.7 99.7 35.5 37.1 68 77 A T + 0 0 91 -2,-0.2 2,-0.3 -3,-0.0 -3,-0.1 -0.954 36.3 174.3-116.6 124.5 99.2 31.8 36.6 69 78 A Y - 0 0 14 -2,-0.5 -58,-0.2 -5,-0.2 3,-0.1 -0.937 30.9-149.1-127.4 148.9 96.3 30.0 38.3 70 79 A D S S+ 0 0 19 -60,-3.0 2,-0.3 -2,-0.3 -59,-0.2 0.772 86.1 0.3 -85.1 -27.5 95.0 26.5 38.0 71 80 A A E -b 11 0A 0 -61,-1.0 -59,-2.3 35,-0.1 2,-0.4 -0.978 63.2-148.9-157.5 157.0 91.4 27.5 38.7 72 81 A V E -bc 12 108A 0 35,-2.2 37,-3.7 -2,-0.3 2,-0.5 -0.989 3.4-155.7-134.2 140.3 89.4 30.6 39.4 73 82 A I E -bc 13 109A 0 -61,-2.4 -59,-2.2 -2,-0.4 2,-0.7 -0.972 7.2-158.5-119.2 119.4 86.2 31.2 41.5 74 83 A G E -bc 14 110A 0 35,-2.5 37,-2.3 -2,-0.5 2,-0.5 -0.866 14.0-173.0 -99.6 117.6 84.0 34.1 40.7 75 84 A I E +bc 15 111A 0 -61,-2.9 -59,-1.9 -2,-0.7 2,-0.3 -0.924 18.1 136.5-117.0 129.2 81.8 35.2 43.6 76 85 A G E - c 0 112A 0 35,-1.8 37,-2.4 -2,-0.5 2,-0.5 -0.984 36.9-137.8-160.7 158.2 79.0 37.7 43.5 77 86 A V E - c 0 113A 4 -59,-0.3 2,-0.5 -2,-0.3 37,-0.2 -0.960 16.0-174.1-129.6 116.2 75.5 38.2 44.7 78 87 A L E - c 0 114A 22 35,-3.2 37,-2.1 -2,-0.5 2,-0.5 -0.921 5.5-166.3-109.8 130.0 72.8 39.8 42.6 79 88 A I E - c 0 115A 45 -2,-0.5 37,-0.2 35,-0.2 7,-0.1 -0.969 29.1-108.9-120.4 127.4 69.3 40.6 44.1 80 89 A K - 0 0 62 35,-2.2 2,-0.1 -2,-0.5 4,-0.1 -0.211 42.9-176.4 -51.6 131.1 66.3 41.5 42.0 81 90 A G - 0 0 46 2,-0.4 -1,-0.1 36,-0.1 0, 0.0 -0.106 44.4 -76.2-109.3-148.1 65.4 45.1 42.5 82 91 A S S S+ 0 0 80 -2,-0.1 633,-0.2 637,-0.0 2,-0.1 0.564 108.7 51.3 -93.7 -9.4 62.5 47.3 41.2 83 92 A T S S- 0 0 10 631,-0.1 3,-0.4 632,-0.1 -2,-0.4 -0.411 96.5 -97.1-113.8-169.1 63.9 47.6 37.6 84 93 A M S > S+ 0 0 49 629,-1.9 4,-2.0 1,-0.2 5,-0.2 0.300 93.6 103.9 -92.5 8.9 65.1 45.3 34.9 85 94 A H H > S+ 0 0 67 628,-0.4 4,-2.5 1,-0.2 5,-0.3 0.900 74.9 53.6 -55.6 -47.9 68.7 46.0 36.0 86 95 A F H > S+ 0 0 9 -3,-0.4 4,-2.3 1,-0.2 -1,-0.2 0.887 109.0 48.8 -55.0 -46.5 69.1 42.6 37.8 87 96 A E H > S+ 0 0 42 -4,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.929 114.0 43.9 -63.4 -49.7 68.0 40.6 34.6 88 97 A Y H X S+ 0 0 17 -4,-2.0 4,-2.1 2,-0.2 -2,-0.2 0.890 116.1 46.0 -68.1 -37.6 70.4 42.4 32.2 89 98 A I H X S+ 0 0 13 -4,-2.5 4,-2.7 -5,-0.2 5,-0.2 0.923 112.5 51.7 -70.6 -40.6 73.4 42.4 34.5 90 99 A S H X S+ 0 0 0 -4,-2.3 4,-2.2 -5,-0.3 5,-0.2 0.926 111.2 46.4 -60.0 -48.7 72.8 38.7 35.4 91 100 A E H X S+ 0 0 20 -4,-2.2 4,-2.1 1,-0.2 5,-0.2 0.955 115.1 45.9 -61.9 -49.2 72.7 37.6 31.8 92 101 A A H X S+ 0 0 0 -4,-2.1 4,-2.2 -5,-0.2 -2,-0.2 0.881 113.0 49.5 -63.5 -37.0 75.7 39.6 30.8 93 102 A V H X S+ 0 0 0 -4,-2.7 4,-2.7 2,-0.2 5,-0.2 0.938 110.4 49.8 -68.6 -44.0 77.9 38.5 33.7 94 103 A V H X S+ 0 0 3 -4,-2.2 4,-1.6 -5,-0.2 -1,-0.2 0.888 114.2 44.3 -61.1 -42.6 77.1 34.8 33.3 95 104 A H H X S+ 0 0 39 -4,-2.1 4,-2.5 -5,-0.2 -1,-0.2 0.891 113.5 52.9 -69.3 -36.8 78.0 35.0 29.6 96 105 A G H X S+ 0 0 4 -4,-2.2 4,-2.1 -5,-0.2 -2,-0.2 0.881 108.0 48.8 -64.7 -40.8 81.1 37.0 30.4 97 106 A L H X S+ 0 0 0 -4,-2.7 4,-1.6 2,-0.2 -1,-0.2 0.867 111.7 49.4 -68.1 -36.9 82.4 34.5 32.9 98 107 A M H X S+ 0 0 9 -4,-1.6 4,-2.2 -5,-0.2 5,-0.2 0.935 110.7 52.1 -67.4 -43.4 81.8 31.6 30.5 99 108 A R H X S+ 0 0 63 -4,-2.5 4,-2.7 1,-0.2 5,-0.2 0.915 107.0 50.8 -58.3 -46.5 83.7 33.6 27.8 100 109 A V H X S+ 0 0 5 -4,-2.1 4,-2.0 1,-0.2 6,-0.4 0.872 111.4 48.7 -61.6 -37.2 86.7 34.3 30.0 101 110 A G H X S+ 0 0 2 -4,-1.6 4,-1.9 2,-0.2 5,-0.3 0.916 115.3 42.6 -69.3 -42.0 87.1 30.7 30.9 102 111 A L H < S+ 0 0 9 -4,-2.2 -2,-0.2 2,-0.2 -1,-0.2 0.831 115.1 50.3 -73.7 -33.9 86.8 29.4 27.3 103 112 A D H < S+ 0 0 78 -4,-2.7 -2,-0.2 -5,-0.2 -1,-0.2 0.929 120.1 34.7 -68.5 -45.6 89.1 32.1 25.9 104 113 A S H < S- 0 0 51 -4,-2.0 -2,-0.2 -5,-0.2 -1,-0.2 0.701 96.8-129.3 -83.5 -25.5 91.8 31.5 28.5 105 114 A G < + 0 0 27 -4,-1.9 -3,-0.1 1,-0.3 -4,-0.1 0.504 69.5 125.1 85.7 0.2 91.6 27.8 29.0 106 115 A V - 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o 0 561G 46 -2,-0.5 37,-0.2 35,-0.2 7,-0.1 -0.965 29.6-110.0-116.7 123.3 55.7 42.2 14.0 526 89 D K - 0 0 61 35,-2.6 2,-0.1 -2,-0.5 4,-0.1 -0.156 42.5-177.5 -48.1 131.1 54.8 39.6 16.7 527 90 D G - 0 0 46 2,-0.3 -1,-0.1 36,-0.1 0, 0.0 -0.080 44.4 -73.3-110.1-144.1 52.9 36.7 15.1 528 91 D S S S+ 0 0 80 -2,-0.1 -115,-0.1 -111,-0.1 2,-0.1 0.670 109.4 49.1 -92.8 -18.3 51.4 33.5 16.6 529 92 D T S S- 0 0 10 -117,-0.1 -2,-0.3 -112,-0.1 3,-0.3 -0.260 96.6 -97.4-107.0-165.3 54.6 31.6 17.2 530 93 D M S > S+ 0 0 48 -119,-1.9 4,-2.1 1,-0.2 5,-0.2 0.325 93.1 105.6 -97.0 4.8 57.9 32.5 19.0 531 94 D H H > S+ 0 0 68 -120,-0.4 4,-2.6 1,-0.2 5,-0.3 0.897 75.3 54.7 -48.3 -49.2 59.4 33.2 15.6 532 95 D F H > S+ 0 0 9 -3,-0.3 4,-2.3 1,-0.2 -1,-0.2 0.913 108.2 47.3 -55.5 -48.7 59.3 37.0 16.3 533 96 D E H > S+ 0 0 40 -4,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.923 114.6 45.0 -64.2 -44.2 61.2 36.8 19.6 534 97 D Y H X S+ 0 0 18 -4,-2.1 4,-2.1 2,-0.2 5,-0.2 0.907 114.9 46.3 -69.4 -40.7 64.0 34.6 18.3 535 98 D I H X S+ 0 0 14 -4,-2.6 4,-2.7 -5,-0.2 5,-0.2 0.931 113.2 50.9 -65.7 -41.9 64.6 36.5 15.1 536 99 D S H X S+ 0 0 0 -4,-2.3 4,-2.2 -5,-0.3 -2,-0.2 0.904 111.3 46.6 -60.5 -47.2 64.5 39.8 16.9 537 100 D E H X S+ 0 0 21 -4,-2.1 4,-1.6 -5,-0.2 -1,-0.2 0.932 115.4 45.7 -63.5 -46.3 67.0 38.7 19.5 538 101 D A H X S+ 0 0 0 -4,-2.1 4,-2.4 -5,-0.2 -2,-0.2 0.907 113.4 49.1 -65.0 -42.0 69.4 37.3 16.9 539 102 D V H X S+ 0 0 0 -4,-2.7 4,-2.8 1,-0.2 5,-0.2 0.912 108.8 51.8 -65.7 -42.4 69.2 40.2 14.5 540 103 D V H X S+ 0 0 4 -4,-2.2 4,-1.5 -5,-0.2 -1,-0.2 0.875 113.3 44.5 -63.4 -37.7 69.8 42.8 17.2 541 104 D H H X S+ 0 0 40 -4,-1.6 4,-2.8 -5,-0.2 -1,-0.2 0.897 112.1 54.3 -72.6 -38.8 73.0 41.0 18.4 542 105 D G H X S+ 0 0 3 -4,-2.4 4,-2.6 1,-0.2 -2,-0.2 0.930 108.2 47.8 -59.4 -47.0 74.0 40.5 14.7 543 106 D L H X S+ 0 0 0 -4,-2.8 4,-1.8 1,-0.2 -1,-0.2 0.886 112.5 49.1 -63.2 -38.3 73.8 44.2 14.0 544 107 D M H X S+ 0 0 8 -4,-1.5 4,-2.2 -5,-0.2 -1,-0.2 0.920 111.5 50.5 -68.7 -39.2 75.8 45.1 17.1 545 108 D R H X S+ 0 0 64 -4,-2.8 4,-3.0 2,-0.2 5,-0.3 0.942 107.7 51.0 -63.3 -47.4 78.4 42.5 16.2 546 109 D V H X S+ 0 0 6 -4,-2.6 4,-2.1 1,-0.2 6,-0.4 0.908 112.1 48.7 -56.4 -42.8 78.8 43.8 12.6 547 110 D G H X S+ 0 0 2 -4,-1.8 4,-2.0 -5,-0.2 -1,-0.2 0.912 115.1 43.1 -64.2 -42.7 79.3 47.3 13.9 548 111 D L H < S+ 0 0 8 -4,-2.2 -2,-0.2 2,-0.2 -1,-0.2 0.809 115.4 48.6 -75.1 -30.5 81.9 46.3 16.6 549 112 D D H < S+ 0 0 82 -4,-3.0 -2,-0.2 -5,-0.2 -1,-0.2 0.879 120.1 36.5 -73.7 -39.4 83.8 43.9 14.2 550 113 D S H < S- 0 0 51 -4,-2.1 -2,-0.2 -5,-0.3 -3,-0.2 0.744 95.0-130.5 -87.8 -27.1 84.0 46.5 11.4 551 114 D G < + 0 0 26 -4,-2.0 -3,-0.1 1,-0.3 -4,-0.1 0.427 68.6 125.8 88.5 -3.9 84.5 49.7 13.3 552 115 D V - 0 0 26 -6,-0.4 -1,-0.3 -5,-0.2 -2,-0.2 -0.802 69.3-112.4 -94.2 126.6 81.7 51.2 11.2 553 116 D P - 0 0 9 0, 0.0 -35,-2.8 0, 0.0 2,-0.6 -0.325 30.0-161.8 -57.4 123.9 78.8 52.8 13.1 554 117 D V E -o 518 0G 0 -37,-0.2 2,-0.4 -2,-0.1 -35,-0.2 -0.965 7.0-150.0-112.6 118.9 75.6 50.8 12.6 555 118 D I E -o 519 0G 3 -37,-3.5 -35,-2.5 -2,-0.6 2,-0.9 -0.746 15.6-124.5 -91.5 135.1 72.4 52.7 13.4 556 119 D L E +o 520 0G 13 -2,-0.4 -35,-0.1 -37,-0.2 97,-0.1 -0.680 41.2 157.5 -85.3 101.6 69.4 50.7 14.7 557 120 D G E +o 521 0G 0 -37,-2.4 -35,-1.8 -2,-0.9 2,-0.5 -0.250 34.1 127.7-114.4 41.7 66.4 51.4 12.6 558 121 D L E -o 522 0G 2 -37,-0.3 2,-0.5 -35,-0.1 -35,-0.2 -0.844 43.6-159.3-101.1 130.6 64.7 48.1 13.6 559 122 D L E -o 523 0G 6 -37,-2.8 -35,-3.1 -2,-0.5 2,-0.5 -0.948 6.0-172.2-109.7 131.8 61.1 48.2 14.9 560 123 D T E +o 524 0G 3 -2,-0.5 123,-1.9 -37,-0.2 124,-0.5 -0.900 26.3 163.3-123.9 97.6 60.0 45.2 17.0 561 124 D V E -o 525 0G 0 -37,-2.5 -35,-2.6 -2,-0.5 121,-0.1 -0.678 48.1-128.5-118.4 169.0 56.3 45.7 17.6 562 125 D L S S+ 0 0 86 -2,-0.2 2,-0.3 -37,-0.2 -37,-0.1 0.780 89.5 3.0 -85.4 -29.9 53.2 43.9 18.7 563 126 D N S >> S- 0 0 67 1,-0.1 4,-1.0 -38,-0.1 3,-0.7 -0.972 77.4 -99.1-152.7 164.8 50.9 44.8 15.8 564 127 D E H >> S+ 0 0 89 -2,-0.3 4,-2.4 1,-0.2 3,-0.9 0.877 114.2 62.8 -54.4 -45.1 51.0 46.7 12.5 565 128 D E H 3> S+ 0 0 125 1,-0.3 4,-2.4 2,-0.2 -1,-0.2 0.874 100.1 54.3 -49.4 -43.7 49.4 49.9 13.9 566 129 D Q H <> S+ 0 0 30 -3,-0.7 4,-1.2 1,-0.2 -1,-0.3 0.851 109.2 48.6 -62.0 -33.4 52.4 50.4 16.3 567 130 D A H XX S+ 0 0 1 -4,-1.0 4,-0.7 -3,-0.9 3,-0.5 0.958 110.3 49.0 -70.7 -50.6 54.7 50.2 13.3 568 131 D L H ><>S+ 0 0 22 -4,-2.4 5,-2.2 1,-0.3 3,-1.2 0.909 109.0 54.5 -55.6 -43.7 52.8 52.7 11.2 569 132 D Y H ><5S+ 0 0 116 -4,-2.4 3,-1.0 1,-0.3 -1,-0.3 0.851 109.0 47.1 -59.0 -37.3 52.6 55.1 14.1 570 133 D R H <<5S+ 0 0 41 -4,-1.2 9,-2.5 -3,-0.5 -1,-0.3 0.547 105.9 60.6 -83.6 -5.4 56.4 55.0 14.5 571 134 D A B <<5S-P 578 0H 1 -3,-1.2 7,-0.3 -4,-0.7 -1,-0.2 0.209 126.9 -95.7-101.4 8.3 56.8 55.5 10.8 572 135 D G T < 5S+ 0 0 28 -3,-1.0 3,-0.4 5,-0.6 6,-0.2 0.407 85.0 122.5 94.7 -3.0 55.0 58.9 10.9 573 136 D L > < + 0 0 62 -5,-2.2 3,-2.4 1,-0.2 -1,-0.3 -0.376 63.2 24.2 -88.1 170.1 51.5 57.9 10.1 574 137 D N T 3 S- 0 0 123 1,-0.3 -1,-0.2 -2,-0.1 -5,-0.1 0.802 138.1 -49.9 43.5 42.8 48.3 58.3 12.1 575 138 D G T 3 S+ 0 0 73 -3,-0.4 -1,-0.3 1,-0.2 -2,-0.1 0.532 106.2 131.4 81.2 7.8 49.7 61.3 14.0 576 139 D G < - 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0 0 27 -6,-0.4 -1,-0.3 -5,-0.2 -2,-0.2 -0.793 68.2-112.7 -94.6 126.7 90.0 48.3 29.4 706 116 E P - 0 0 12 0, 0.0 -35,-2.8 0, 0.0 2,-0.5 -0.317 30.0-162.9 -58.5 124.3 87.5 48.4 32.4 707 117 E V E -s 671 0I 0 -37,-0.2 2,-0.4 -10,-0.1 -35,-0.2 -0.967 6.7-150.7-112.2 121.2 84.1 49.4 31.3 708 118 E I E -s 672 0I 1 -37,-3.5 -35,-2.6 -2,-0.5 2,-0.9 -0.779 16.8-123.6 -94.1 135.1 81.8 50.5 34.1 709 119 E L E +s 673 0I 12 -2,-0.4 -35,-0.1 -37,-0.2 -655,-0.1 -0.692 40.1 159.9 -86.4 104.9 78.1 50.0 33.7 710 120 E G E +s 674 0I 0 -37,-2.4 -35,-1.9 -2,-0.9 2,-0.5 -0.213 34.5 128.5-112.6 38.8 76.2 53.3 34.1 711 121 E L E -s 675 0I 2 -37,-0.2 2,-0.5 -35,-0.1 -35,-0.2 -0.849 43.1-160.4-100.4 126.6 73.2 52.0 32.2 712 122 E L E -s 676 0I 6 -37,-2.5 -35,-2.8 -2,-0.5 2,-0.6 -0.922 4.4-171.1-104.6 130.6 69.7 52.4 33.9 713 123 E T E +s 677 0I 3 -2,-0.5 -629,-1.9 -37,-0.2 -628,-0.4 -0.868 26.5 165.0-123.3 93.1 67.0 50.0 32.4 714 124 E V E -s 678 0I 0 -37,-2.4 -35,-2.8 -2,-0.6 -631,-0.1 -0.680 47.8-131.4-116.1 165.7 63.8 51.2 34.0 715 125 E L S S+ 0 0 85 -2,-0.2 2,-0.3 -37,-0.2 -1,-0.1 0.801 88.5 1.4 -81.2 -33.8 60.0 51.0 33.7 716 126 E N S >> S- 0 0 69 1,-0.1 4,-1.1 -38,-0.1 3,-0.5 -0.954 76.7 -98.3-150.1 168.5 59.2 54.7 33.9 717 127 E E H 3> S+ 0 0 91 -2,-0.3 4,-2.3 1,-0.2 3,-0.3 0.870 113.9 63.8 -59.4 -39.6 60.8 58.1 34.2 718 128 E E H 3> S+ 0 0 123 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.903 101.0 52.5 -54.2 -40.3 60.3 58.4 38.0 719 129 E Q H <> S+ 0 0 30 -3,-0.5 4,-1.4 2,-0.2 -1,-0.2 0.890 109.0 49.7 -63.6 -38.4 62.5 55.4 38.5 720 130 E A H X S+ 0 0 1 -4,-1.1 4,-0.7 -3,-0.3 3,-0.4 0.961 110.9 48.0 -64.7 -51.0 65.3 56.9 36.5 721 131 E L H ><>S+ 0 0 18 -4,-2.3 5,-2.3 1,-0.2 3,-1.0 0.889 108.6 55.5 -57.0 -41.0 65.2 60.3 38.3 722 132 E Y H ><5S+ 0 0 119 -4,-2.3 3,-1.0 -5,-0.3 -1,-0.2 0.875 108.8 46.7 -60.9 -37.5 65.2 58.5 41.7 723 133 E R H 3<5S+ 0 0 39 -4,-1.4 9,-2.3 -3,-0.4 10,-0.3 0.535 105.1 62.4 -82.2 -6.1 68.4 56.7 40.7 724 134 E A B <<5S-T 731 0J 1 -3,-1.0 7,-0.3 -4,-0.7 -1,-0.2 0.199 126.3 -98.5 -99.4 10.4 69.9 60.0 39.5 725 135 E G T < 5S+ 0 0 28 -3,-1.0 3,-0.4 5,-0.7 6,-0.2 0.470 83.4 125.8 88.3 1.3 69.6 61.4 43.0 726 136 E L > < + 0 0 55 -5,-2.3 3,-2.2 1,-0.2 -1,-0.3 -0.415 62.2 23.4 -89.0 169.5 66.3 63.3 42.6 727 137 E N T 3 S- 0 0 125 1,-0.3 -1,-0.2 -2,-0.1 -5,-0.1 0.793 138.8 -49.8 44.7 39.6 63.2 63.1 44.8 728 138 E G T 3 S+ 0 0 74 -3,-0.4 -1,-0.3 1,-0.3 -2,-0.1 0.503 105.2 131.1 85.5 5.0 65.1 61.7 47.7 729 139 E G < - 0 0 15 -3,-2.2 2,-0.4 -8,-0.1 -1,-0.3 -0.341 61.6-102.4 -87.7 171.4 67.1 59.0 45.9 730 140 E H - 0 0 96 -2,-0.1 2,-0.8 -8,-0.1 -5,-0.7 -0.768 34.3-118.7 -92.6 133.9 70.8 58.2 46.0 731 141 E N B >> -T 724 0J 26 -2,-0.4 3,-0.8 -7,-0.3 4,-0.5 -0.648 21.8-165.6 -79.1 110.9 72.8 59.3 42.9 732 142 E H H >> S+ 0 0 47 -9,-2.3 4,-1.8 -2,-0.8 3,-0.6 0.745 79.2 76.7 -67.3 -26.2 74.2 56.1 41.4 733 143 E G H 3> S+ 0 0 0 -10,-0.3 4,-2.3 1,-0.2 -1,-0.2 0.902 88.8 59.5 -51.9 -41.7 76.7 58.1 39.3 734 144 E N H <> S+ 0 0 46 -3,-0.8 4,-2.0 1,-0.2 -1,-0.2 0.904 103.8 49.5 -53.6 -45.0 78.8 58.6 42.4 735 145 E D H < S+ 0 0 42 -4,-2.0 3,-1.3 1,-0.2 -1,-0.2 0.831 108.8 55.5 -76.3 -33.9 94.1 51.3 39.5 746 156 E K H 3< S+ 0 0 83 -4,-1.6 -1,-0.2 1,-0.3 -2,-0.2 0.616 99.7 62.1 -76.2 -7.9 93.8 47.5 39.6 747 157 E A T 3< 0 0 54 -4,-0.7 -1,-0.3 -3,-0.3 -2,-0.2 0.467 360.0 360.0 -91.8 -2.9 94.7 47.5 36.0 748 158 E L < 0 0 127 -3,-1.3 -1,-0.2 -4,-0.1 -4,-0.0 -0.678 360.0 360.0-114.9 360.0 98.1 49.0 36.8