==== 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 09-JUL-03 1O4U . COMPND 2 MOLECULE: TYPE II QUINOLIC ACID PHOSPHORIBOSYLTRANSFERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: THERMOTOGA MARITIMA; . AUTHOR JOINT CENTER FOR STRUCTURAL GENOMICS (JCSG) . 531 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 24220.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 382 71.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 49 9.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 51 9.6 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 . 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 . 33 6.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 50 9.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 183 34.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 0.9 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 1 0 0 2 0 4 1 3 0 0 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 RESIDUES PER ALPHA HELIX . 0 0 3 5 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 PARALLEL BRIDGES PER LADDER . 0 0 2 2 1 1 0 2 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 . 2 0 2 0 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 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 89 0, 0.0 4,-1.0 0, 0.0 5,-0.0 0.000 360.0 360.0 360.0 -31.4 12.0 36.7 35.8 2 2 A E H > + 0 0 76 2,-0.2 4,-2.2 3,-0.1 5,-0.1 0.741 360.0 49.8 -80.2 -32.0 13.6 38.3 32.8 3 3 A K H > S+ 0 0 171 2,-0.2 4,-2.1 1,-0.2 5,-0.1 0.865 109.7 49.9 -68.0 -38.0 16.8 37.6 34.7 4 4 A I H > S+ 0 0 16 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.892 111.2 47.2 -70.8 -39.0 15.7 34.0 35.3 5 5 A L H X S+ 0 0 19 -4,-1.0 4,-2.9 2,-0.2 5,-0.2 0.951 111.0 51.8 -68.2 -45.8 14.8 33.4 31.6 6 6 A D H X S+ 0 0 94 -4,-2.2 4,-2.4 2,-0.2 -2,-0.2 0.918 109.9 51.2 -50.2 -47.5 18.1 34.9 30.5 7 7 A L H X S+ 0 0 38 -4,-2.1 4,-1.7 1,-0.2 -2,-0.2 0.954 112.4 43.4 -56.1 -54.8 19.9 32.6 33.0 8 8 A L H X S+ 0 0 0 -4,-2.4 4,-1.4 1,-0.2 -1,-0.2 0.810 111.6 55.5 -62.7 -33.8 18.1 29.5 31.6 9 9 A M H X S+ 0 0 45 -4,-2.9 4,-2.4 2,-0.2 -1,-0.2 0.911 104.8 52.7 -63.8 -40.9 18.7 30.7 28.1 10 10 A S H X S+ 0 0 62 -4,-2.4 4,-1.2 1,-0.2 -2,-0.2 0.881 107.3 52.9 -61.7 -38.0 22.4 30.9 28.9 11 11 A F H X S+ 0 0 7 -4,-1.7 4,-1.7 2,-0.2 -1,-0.2 0.827 107.1 51.5 -61.6 -37.0 22.3 27.2 30.1 12 12 A V H X S+ 0 0 7 -4,-1.4 4,-1.5 1,-0.2 -2,-0.2 0.944 108.7 51.8 -64.7 -50.2 20.7 26.2 26.8 13 13 A K H X S+ 0 0 147 -4,-2.4 4,-0.9 2,-0.2 -2,-0.2 0.756 108.7 50.9 -45.8 -37.5 23.5 28.0 24.9 14 14 A E H < S+ 0 0 65 -4,-1.2 -1,-0.2 1,-0.2 -2,-0.2 0.860 114.0 43.3 -76.2 -38.5 26.1 26.1 27.0 15 15 A D H < S+ 0 0 57 -4,-1.7 -2,-0.2 -3,-0.1 -1,-0.2 0.748 128.4 28.9 -75.2 -22.9 24.5 22.7 26.2 16 16 A E H < S+ 0 0 53 -4,-1.5 3,-0.4 1,-0.2 5,-0.2 0.960 80.6 168.7 -75.7 -61.9 24.0 23.6 22.5 17 17 A G < - 0 0 37 -4,-0.9 -1,-0.2 1,-0.2 3,-0.2 -0.397 62.9 -6.9 -97.2 -57.7 26.3 25.5 21.9 18 18 A K S S- 0 0 155 1,-0.3 2,-0.3 -2,-0.2 -1,-0.2 0.953 132.7 -27.2 -61.7 -48.7 27.0 26.5 18.4 19 19 A L - 0 0 65 -3,-0.4 2,-1.1 -6,-0.0 -1,-0.3 -0.937 56.6-120.8-170.8 138.8 24.5 23.9 17.0 20 20 A D >> - 0 0 30 -2,-0.3 4,-1.9 1,-0.2 3,-0.9 -0.761 29.7-173.7 -95.3 96.5 23.1 20.6 18.2 21 21 A L T 34 S+ 0 0 52 -2,-1.1 -1,-0.2 1,-0.3 417,-0.1 0.773 76.9 57.4 -67.3 -29.4 24.1 18.3 15.4 22 22 A A T 34 S+ 0 0 2 1,-0.2 -1,-0.3 2,-0.1 413,-0.1 0.823 117.8 33.9 -70.9 -29.6 22.3 15.2 16.6 23 23 A S T X4 S+ 0 0 0 -3,-0.9 3,-2.3 1,-0.1 -2,-0.2 0.648 97.0 88.7 -96.4 -20.0 19.0 17.1 16.6 24 24 A F G >< S+ 0 0 55 -4,-1.9 3,-2.1 1,-0.3 -2,-0.1 0.844 82.5 54.8 -53.7 -48.0 19.8 19.3 13.6 25 25 A P G 3 S+ 0 0 27 0, 0.0 3,-0.4 0, 0.0 -1,-0.3 0.648 105.2 55.8 -58.6 -18.6 18.5 16.9 11.0 26 26 A L G X + 0 0 9 -3,-2.3 3,-1.7 1,-0.2 58,-0.4 0.323 69.7 113.3 -96.6 8.0 15.1 16.8 12.7 27 27 A R T < S+ 0 0 112 -3,-2.1 58,-0.2 1,-0.3 -1,-0.2 0.723 72.6 58.9 -50.4 -21.6 14.7 20.6 12.6 28 28 A N T 3 S+ 0 0 129 -3,-0.4 2,-0.3 -4,-0.1 -1,-0.3 0.095 95.8 71.0-102.9 26.5 11.7 20.1 10.2 29 29 A T < - 0 0 51 -3,-1.7 55,-2.8 2,-0.0 56,-0.4 -0.839 66.2-135.1-129.1 163.5 9.4 17.9 12.4 30 30 A T E -A 83 0A 90 -2,-0.3 2,-0.3 53,-0.3 53,-0.2 -0.864 21.6-174.7-115.0 160.5 7.3 18.3 15.5 31 31 A A E -A 82 0A 3 51,-2.2 51,-1.4 -2,-0.3 2,-0.3 -0.989 17.5-142.0-152.7 144.4 7.1 16.0 18.5 32 32 A G E -A 81 0A 27 233,-0.5 233,-2.6 -2,-0.3 2,-0.3 -0.797 23.3-173.7-101.6 152.2 5.1 15.5 21.7 33 33 A A E -AB 80 264A 2 47,-2.7 47,-2.5 -2,-0.3 2,-0.4 -0.992 21.4-132.2-148.1 150.4 6.7 14.4 24.9 34 34 A H E -AB 79 263A 45 229,-2.8 229,-3.0 -2,-0.3 2,-0.6 -0.880 17.3-141.1-104.4 132.0 5.8 13.4 28.5 35 35 A L E -AB 78 262A 0 43,-3.4 42,-2.7 -2,-0.4 43,-1.0 -0.879 28.7-157.1 -88.9 119.6 7.7 14.8 31.4 36 36 A L E -AB 76 261A 27 225,-3.4 225,-1.9 -2,-0.6 2,-0.6 -0.861 17.4-154.5-113.1 135.7 8.0 12.0 33.9 37 37 A L E +AB 75 260A 4 38,-3.5 38,-1.9 -2,-0.4 223,-0.2 -0.921 15.8 173.1 -99.6 123.8 8.6 12.0 37.6 38 38 A K + 0 0 110 221,-3.1 2,-0.4 -2,-0.6 222,-0.2 0.461 51.7 88.2-109.4 -3.8 10.3 8.8 38.8 39 39 A T - 0 0 35 220,-0.7 3,-0.1 34,-0.1 36,-0.1 -0.856 68.0-144.4-103.8 139.3 11.0 9.6 42.5 40 40 A E S S+ 0 0 119 -2,-0.4 33,-3.3 1,-0.2 2,-0.4 0.591 74.5 35.3 -93.0 -18.7 8.2 8.7 44.8 41 41 A N E S+D 72 0B 71 31,-0.2 2,-0.3 2,-0.0 -1,-0.2 -0.890 82.4 126.6-142.1 107.5 7.8 11.2 47.7 42 42 A V E -D 71 0B 0 29,-1.4 29,-3.4 -2,-0.4 2,-0.5 -0.950 53.1-119.2-163.6 152.8 8.5 14.7 46.7 43 43 A V E -D 70 0B 2 59,-0.6 2,-0.3 -2,-0.3 63,-0.2 -0.970 33.1-126.9-117.9 133.3 7.5 18.3 46.5 44 44 A A + 0 0 0 25,-2.3 24,-2.9 -2,-0.5 25,-0.3 -0.535 36.9 153.5 -80.2 130.1 7.1 20.1 43.2 45 45 A S + 0 0 0 -2,-0.3 57,-0.3 53,-0.3 58,-0.1 -0.972 49.7 50.8-152.1 156.8 8.9 23.3 42.3 46 46 A G S > S+ 0 0 1 -2,-0.3 4,-2.8 55,-0.2 5,-0.2 0.386 70.7 121.2 98.4 4.7 10.1 25.0 39.1 47 47 A I H > S+ 0 0 2 2,-0.2 4,-2.9 1,-0.2 5,-0.2 0.985 77.0 39.4 -63.4 -59.0 6.7 24.5 37.4 48 48 A E H > S+ 0 0 97 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.935 119.7 48.8 -58.7 -43.8 5.9 28.2 36.7 49 49 A V H > S+ 0 0 7 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.901 111.8 48.4 -61.7 -45.0 9.6 28.8 35.9 50 50 A S H X S+ 0 0 0 -4,-2.8 4,-2.9 2,-0.2 5,-0.2 0.919 109.6 53.2 -60.2 -44.5 9.7 25.8 33.6 51 51 A R H X S+ 0 0 103 -4,-2.9 4,-2.3 1,-0.2 -2,-0.2 0.934 110.0 46.7 -57.2 -49.5 6.5 26.8 31.8 52 52 A M H X S+ 0 0 80 -4,-2.2 4,-2.1 1,-0.2 -1,-0.2 0.864 112.9 51.2 -60.5 -36.9 7.9 30.3 31.1 53 53 A F H X S+ 0 0 0 -4,-1.8 4,-2.1 2,-0.2 -2,-0.2 0.953 108.6 48.7 -68.8 -50.5 11.1 28.8 29.9 54 54 A L H <>S+ 0 0 1 -4,-2.9 5,-2.8 1,-0.2 4,-0.4 0.903 109.1 54.6 -56.8 -43.2 9.5 26.4 27.5 55 55 A E H ><5S+ 0 0 144 -4,-2.3 3,-1.3 3,-0.2 -1,-0.2 0.914 107.2 50.3 -54.7 -43.6 7.3 29.3 26.1 56 56 A K H 3<5S+ 0 0 119 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.861 107.8 53.4 -68.0 -31.3 10.5 31.3 25.4 57 57 A M T 3<5S- 0 0 23 -4,-2.1 -1,-0.3 -5,-0.1 -2,-0.2 0.522 122.7-108.8 -76.2 -6.2 12.0 28.3 23.6 58 58 A G T < 5S+ 0 0 40 -3,-1.3 25,-0.4 -4,-0.4 2,-0.3 0.669 74.0 134.3 90.0 16.7 8.8 28.1 21.4 59 59 A L < - 0 0 8 -5,-2.8 -1,-0.3 -6,-0.2 2,-0.3 -0.756 50.5-133.1-104.6 144.3 7.3 24.9 23.0 60 60 A L E +C 81 0A 104 21,-3.1 21,-2.3 -2,-0.3 2,-0.3 -0.674 32.6 176.4 -89.5 147.5 3.7 24.3 24.1 61 61 A S E -C 80 0A 41 -2,-0.3 2,-0.3 19,-0.2 19,-0.2 -0.986 25.3-169.5-148.0 156.6 3.2 22.8 27.5 62 62 A K E -C 79 0A 125 17,-2.1 17,-3.0 -2,-0.3 2,-0.4 -0.950 14.8-158.9-139.1 140.0 0.6 21.7 30.0 63 63 A F E -C 78 0A 24 -2,-0.3 15,-0.3 15,-0.2 14,-0.1 -0.940 13.6-159.2-116.4 141.4 1.4 20.6 33.6 64 64 A N S S+ 0 0 86 13,-2.1 2,-0.3 -2,-0.4 14,-0.1 -0.018 77.0 59.7-107.7 38.8 -0.8 18.4 35.8 65 65 A V - 0 0 12 12,-0.3 2,-0.2 6,-0.0 -2,-0.1 -0.968 69.1-142.1-163.7 149.8 1.0 19.7 39.0 66 66 A E > - 0 0 141 -2,-0.3 3,-1.4 1,-0.1 -22,-0.2 -0.760 35.3 -82.4-119.6 165.3 1.6 23.0 40.8 67 67 A D T 3 S+ 0 0 42 -2,-0.2 -22,-0.2 1,-0.2 3,-0.1 -0.455 114.5 17.7 -68.2 141.6 4.5 24.6 42.7 68 68 A G T 3 S+ 0 0 22 -24,-2.9 2,-0.3 1,-0.2 -1,-0.2 0.578 89.4 140.7 67.9 13.7 4.5 23.5 46.4 69 69 A E < - 0 0 77 -3,-1.4 -25,-2.3 -25,-0.3 2,-0.4 -0.677 51.2-128.5 -85.5 139.7 2.3 20.4 45.8 70 70 A Y E -D 43 0B 108 -2,-0.3 2,-0.6 -27,-0.2 -27,-0.2 -0.759 22.3-151.7 -87.4 135.8 3.2 17.2 47.7 71 71 A L E -D 42 0B 17 -29,-3.4 -29,-1.4 -2,-0.4 2,-0.8 -0.910 15.0-173.8-122.8 106.9 3.5 14.2 45.4 72 72 A E E +D 41 0B 163 -2,-0.6 -31,-0.2 -31,-0.2 -32,-0.1 -0.857 66.3 8.1 -90.7 107.6 2.8 10.6 46.6 73 73 A G S S- 0 0 32 -33,-3.3 -34,-0.1 -2,-0.8 -31,-0.1 0.116 84.0 -86.2 98.3 147.5 3.8 8.3 43.7 74 74 A T + 0 0 83 -36,-0.2 2,-0.3 -33,-0.0 -36,-0.2 -0.294 58.4 109.5 -87.3 169.5 5.4 8.6 40.3 75 75 A G E -A 37 0A 33 -38,-1.9 -38,-3.5 -2,-0.1 2,-0.5 -0.967 66.8 -33.1 157.8-170.0 3.9 9.5 37.0 76 76 A V E +A 36 0A 52 -2,-0.3 -40,-0.2 -40,-0.2 3,-0.1 -0.701 44.4 175.9 -77.9 123.5 3.5 12.0 34.1 77 77 A I E - 0 0 6 -42,-2.7 -13,-2.1 -2,-0.5 -12,-0.3 0.474 62.2 -2.6-106.4 -3.4 3.7 15.5 35.6 78 78 A G E -AC 35 63A 0 -43,-1.0 -43,-3.4 -15,-0.3 2,-0.3 -0.965 55.7-132.6-178.7 156.8 3.5 17.4 32.3 79 79 A E E -AC 34 62A 65 -17,-3.0 -17,-2.1 -2,-0.3 2,-0.3 -0.966 18.3-172.5-128.5 148.3 3.3 17.3 28.5 80 80 A I E +AC 33 61A 5 -47,-2.5 -47,-2.7 -2,-0.3 2,-0.3 -0.983 7.4 168.6-140.5 139.5 5.3 19.3 26.0 81 81 A E E +AC 32 60A 76 -21,-2.3 -21,-3.1 -2,-0.3 2,-0.3 -0.991 21.8 85.9-153.4 162.4 5.1 19.7 22.2 82 82 A G E S+A 31 0A 5 -51,-1.4 -51,-2.2 -2,-0.3 -23,-0.1 -0.968 75.7 6.0 147.0-161.1 6.4 21.7 19.3 83 83 A N E > -A 30 0A 47 -25,-0.4 4,-1.9 -2,-0.3 -53,-0.3 -0.245 63.6-134.4 -56.9 140.2 9.3 21.8 16.9 84 84 A T H > S+ 0 0 0 -55,-2.8 4,-2.6 -58,-0.4 5,-0.2 0.845 100.6 51.0 -70.4 -36.6 11.6 18.8 17.4 85 85 A Y H > S+ 0 0 29 -56,-0.4 4,-2.5 -59,-0.3 5,-0.2 0.958 112.7 47.5 -68.7 -47.2 14.9 20.5 17.4 86 86 A K H > S+ 0 0 94 2,-0.2 4,-1.6 1,-0.2 -2,-0.2 0.897 111.7 50.9 -55.2 -43.0 13.7 23.0 20.0 87 87 A L H X S+ 0 0 1 -4,-1.9 4,-1.2 1,-0.2 3,-0.3 0.959 113.5 43.5 -63.4 -49.7 12.3 20.3 22.2 88 88 A L H < S+ 0 0 9 -4,-2.6 4,-0.5 1,-0.2 -1,-0.2 0.836 113.6 52.0 -65.6 -29.7 15.5 18.2 22.1 89 89 A V H < S+ 0 0 2 -4,-2.5 4,-0.3 1,-0.2 -1,-0.2 0.774 111.2 47.4 -80.2 -21.2 17.6 21.4 22.7 90 90 A A H X S+ 0 0 1 -4,-1.6 4,-2.3 -3,-0.3 5,-0.2 0.673 90.9 87.6 -86.9 -21.6 15.5 22.4 25.7 91 91 A E H X S+ 0 0 28 -4,-1.2 4,-2.2 1,-0.2 5,-0.2 0.878 85.3 46.0 -50.0 -56.0 15.5 18.9 27.3 92 92 A R H > S+ 0 0 54 -4,-0.5 4,-1.8 1,-0.2 -1,-0.2 0.925 115.7 45.7 -60.0 -43.0 18.7 19.0 29.4 93 93 A T H > S+ 0 0 2 -4,-0.3 4,-2.5 1,-0.2 -1,-0.2 0.897 110.9 52.3 -70.6 -42.9 18.1 22.4 30.9 94 94 A L H X S+ 0 0 1 -4,-2.3 4,-2.1 1,-0.2 -1,-0.2 0.901 110.8 47.9 -56.8 -44.5 14.5 21.7 31.7 95 95 A L H X S+ 0 0 25 -4,-2.2 4,-1.6 -5,-0.2 -2,-0.2 0.813 110.4 51.2 -72.7 -30.0 15.4 18.6 33.6 96 96 A N H >X S+ 0 0 37 -4,-1.8 4,-2.3 -5,-0.2 3,-0.6 0.984 110.9 48.6 -66.0 -54.5 18.2 20.2 35.6 97 97 A V H 3X S+ 0 0 3 -4,-2.5 4,-2.3 1,-0.3 5,-0.2 0.916 115.4 43.2 -49.2 -49.2 15.9 23.0 36.7 98 98 A L H 3X S+ 0 0 0 -4,-2.1 4,-1.8 -5,-0.2 -1,-0.3 0.807 114.7 51.2 -70.8 -27.3 13.2 20.6 37.7 99 99 A S H X S+ 0 0 5 -4,-2.7 4,-2.2 1,-0.2 3,-0.8 0.979 111.9 53.5 -51.5 -59.2 14.6 18.5 51.6 108 108 A T H 3X S+ 0 0 0 -4,-2.2 4,-2.4 1,-0.3 -1,-0.2 0.803 105.6 52.4 -41.3 -46.2 13.2 21.8 52.9 109 109 A R H 3X S+ 0 0 61 -4,-1.2 4,-1.8 -5,-0.2 -1,-0.3 0.878 108.8 49.9 -68.3 -36.9 9.7 20.4 53.5 110 110 A R H < S+ 0 0 4 -4,-2.2 3,-2.0 1,-0.2 4,-0.4 0.981 110.4 53.5 -51.7 -59.9 13.2 19.8 57.8 112 112 A A H >< S+ 0 0 32 -4,-2.4 3,-1.4 1,-0.3 -2,-0.2 0.831 106.4 51.1 -43.0 -47.4 10.2 22.1 58.3 113 113 A E H 3< S+ 0 0 160 -4,-1.8 -1,-0.3 1,-0.3 -2,-0.2 0.641 103.5 59.7 -73.8 -15.6 7.9 19.3 59.5 114 114 A K T << S+ 0 0 109 -3,-2.0 2,-0.3 -4,-0.9 -1,-0.3 0.438 99.4 72.3 -86.6 1.5 10.6 18.2 62.1 115 115 A L < + 0 0 21 -3,-1.4 5,-0.1 -4,-0.4 121,-0.1 -0.894 45.3 172.9-120.6 144.0 10.5 21.6 63.8 116 116 A K S S+ 0 0 91 -2,-0.3 -1,-0.1 123,-0.1 3,-0.1 0.624 83.0 24.5-122.2 -25.7 7.8 23.2 66.0 117 117 A H S S+ 0 0 113 122,-0.1 2,-0.1 1,-0.1 123,-0.1 0.846 111.9 55.9-100.4 -61.1 9.4 26.5 67.2 118 118 A A S S- 0 0 5 127,-0.1 2,-0.3 1,-0.1 127,-0.3 -0.423 75.2-129.3 -78.1 149.4 12.1 27.6 64.8 119 119 A K E -e 245 0C 153 125,-2.7 127,-2.5 -2,-0.1 2,-0.3 -0.692 23.1-120.4 -95.2 147.6 11.6 28.2 61.1 120 120 A I E +e 246 0C 5 -2,-0.3 24,-0.6 125,-0.2 2,-0.3 -0.667 36.9 169.5 -90.0 142.7 13.9 26.6 58.5 121 121 A A E -e 247 0C 21 125,-1.8 127,-1.3 -2,-0.3 2,-0.2 -0.945 31.0-106.6-145.6 166.5 15.9 28.8 56.1 122 122 A A - 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0 0 11 -2,-0.3 2,-0.2 126,-0.2 128,-0.1 -0.533 31.0-134.1 -84.1 160.8 32.7 12.8 33.1 390 123 B T - 0 0 5 126,-0.3 -1,-0.1 2,-0.2 126,-0.1 -0.364 28.0-103.7 -96.2-173.6 29.2 12.4 31.7 391 124 B R S S+ 0 0 66 -2,-0.2 2,-1.8 1,-0.1 7,-0.0 0.501 96.4 99.5 -93.5 -9.3 27.1 15.2 30.2 392 125 B K + 0 0 76 3,-0.0 2,-0.3 6,-0.0 -2,-0.2 -0.573 58.3 148.8 -71.8 77.5 24.9 15.2 33.4 393 126 B I - 0 0 27 -2,-1.8 5,-0.1 -4,-0.1 128,-0.1 -0.714 60.7 -89.9-111.4 160.2 26.8 18.3 34.9 394 127 B L > - 0 0 24 126,-0.3 3,-1.2 -2,-0.3 4,-0.3 -0.630 59.7-108.9 -64.4 125.9 25.7 21.1 37.1 395 128 B P T 3 S+ 0 0 11 0, 0.0 -1,-0.1 0, 0.0 -384,-0.1 -0.294 96.2 15.7 -67.6 140.7 24.5 23.6 34.6 396 129 B G T 3 S+ 0 0 10 -385,-0.1 4,-0.1 -386,-0.1 3,-0.1 0.053 122.7 60.4 87.5 -24.3 26.6 26.7 34.1 397 130 B L <> + 0 0 6 -3,-1.2 4,-2.2 2,-0.1 3,-0.2 0.205 68.9 102.1-119.1 18.2 29.6 25.2 35.9 398 131 B G H > S+ 0 0 0 -4,-0.3 4,-3.3 1,-0.2 5,-0.3 0.934 75.9 60.5 -62.2 -47.4 30.2 22.3 33.6 399 132 B V H > S+ 0 0 67 1,-0.2 4,-1.2 2,-0.2 -1,-0.2 0.858 110.6 43.3 -47.4 -40.0 33.1 24.0 31.8 400 133 B L H > S+ 0 0 4 -3,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.862 112.8 50.1 -76.3 -41.5 34.8 24.1 35.2 401 134 B Q H X S+ 0 0 10 -4,-2.2 4,-2.4 2,-0.2 -2,-0.2 0.887 108.1 53.7 -63.2 -37.7 33.9 20.6 36.2 402 135 B K H X S+ 0 0 87 -4,-3.3 4,-1.7 1,-0.2 -1,-0.2 0.882 110.2 48.3 -67.7 -35.2 35.2 19.2 32.9 403 136 B I H X S+ 0 0 45 -4,-1.2 4,-2.5 -5,-0.3 -1,-0.2 0.857 107.2 54.5 -68.5 -37.9 38.5 21.0 33.6 404 137 B A H X S+ 0 0 0 -4,-2.0 4,-2.5 2,-0.2 -2,-0.2 0.950 106.0 54.7 -59.9 -45.4 38.6 19.6 37.1 405 138 B V H X S+ 0 0 7 -4,-2.4 4,-0.8 2,-0.2 5,-0.3 0.905 107.7 47.8 -52.7 -50.9 38.3 16.1 35.5 406 139 B V H >< S+ 0 0 70 -4,-1.7 3,-1.5 1,-0.2 -1,-0.2 0.948 113.0 48.0 -54.7 -51.2 41.3 16.7 33.3 407 140 B H H 3< S+ 0 0 44 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.863 106.3 59.9 -58.9 -35.9 43.3 18.0 36.3 408 141 B G H 3< S- 0 0 0 -4,-2.5 -1,-0.3 -5,-0.2 -2,-0.2 0.657 125.9 -99.8 -68.0 -17.9 42.1 14.9 38.2 409 142 B G S << S+ 0 0 49 -3,-1.5 -3,-0.1 -4,-0.8 -1,-0.1 -0.435 87.7 106.3 133.5 -55.2 43.7 12.6 35.6 410 143 B G 0 0 7 -5,-0.3 -1,-0.5 -38,-0.1 -22,-0.2 0.176 360.0 360.0 -54.6 174.8 40.8 11.5 33.4 411 144 B D 0 0 159 -24,-1.3 -23,-0.1 -3,-0.1 -24,-0.1 -0.009 360.0 360.0 140.0 360.0 40.3 12.7 29.8 412 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 413 152 B G 0 0 93 0, 0.0 31,-1.4 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 -76.9 35.1 15.8 19.1 414 153 B C E -o 444 0F 76 29,-0.2 2,-0.4 2,-0.0 31,-0.2 -0.993 360.0-134.7-165.8 170.9 31.8 13.9 19.0 415 154 B V E -o 445 0F 15 29,-2.0 31,-3.0 -2,-0.3 2,-0.5 -0.949 20.4-139.8-131.0 138.7 28.0 13.9 18.8 416 155 B M E -o 446 0F 32 -2,-0.4 2,-0.5 29,-0.2 31,-0.2 -0.894 9.0-166.5-114.7 124.6 25.5 11.9 21.0 417 156 B I E +o 447 0F 0 29,-3.2 31,-2.2 -2,-0.5 2,-0.2 -0.938 19.6 177.2-104.1 125.4 22.4 10.2 19.9 418 157 B K > - 0 0 45 -2,-0.5 4,-2.1 29,-0.2 3,-0.2 -0.475 46.6 -78.7-117.1-172.9 20.1 9.2 22.7 419 158 B D H > S+ 0 0 64 1,-0.2 4,-2.4 2,-0.2 5,-0.1 0.825 124.3 55.1 -65.7 -38.0 16.7 7.5 23.0 420 159 B N H > S+ 0 0 9 2,-0.2 4,-1.0 1,-0.2 -1,-0.2 0.900 109.4 49.4 -63.5 -39.2 14.6 10.6 22.1 421 160 B H H >> S+ 0 0 8 -3,-0.2 4,-2.8 2,-0.2 3,-1.2 0.968 109.7 50.5 -57.7 -53.2 16.6 11.0 18.9 422 161 B L H 3X S+ 0 0 30 -4,-2.1 4,-2.5 1,-0.3 -2,-0.2 0.884 104.6 57.5 -61.7 -36.8 16.1 7.3 17.9 423 162 B K H 3< S+ 0 0 62 -4,-2.4 -1,-0.3 2,-0.2 -2,-0.2 0.848 114.4 39.9 -55.5 -34.0 12.3 7.6 18.5 424 163 B M H << S+ 0 0 23 -3,-1.2 -2,-0.2 -4,-1.0 -1,-0.2 0.916 117.5 44.0 -86.2 -48.3 12.3 10.4 15.9 425 164 B Y H < S- 0 0 18 -4,-2.8 -2,-0.2 -5,-0.1 -3,-0.2 0.819 101.1-137.8 -62.8 -31.5 14.7 9.0 13.3 426 165 B G S < S+ 0 0 62 -4,-2.5 2,-0.3 -5,-0.4 -1,-0.1 0.008 71.7 22.9 96.6 -26.4 13.0 5.7 13.7 427 166 B S S > S- 0 0 44 1,-0.1 4,-2.0 34,-0.0 5,-0.1 -0.981 76.0-113.6-162.9 162.2 16.2 3.6 13.7 428 167 B A H > S+ 0 0 14 -2,-0.3 4,-2.6 2,-0.2 5,-0.3 0.840 115.1 61.1 -68.0 -37.2 19.9 3.9 14.4 429 168 B E H > S+ 0 0 120 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.965 109.8 39.9 -52.9 -56.3 20.6 3.3 10.8 430 169 B R H > S+ 0 0 130 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.879 113.7 55.1 -63.1 -41.3 18.7 6.4 9.8 431 170 B A H X S+ 0 0 0 -4,-2.0 4,-1.8 2,-0.2 -1,-0.2 0.885 111.6 42.6 -60.0 -41.8 20.1 8.4 12.7 432 171 B V H X S+ 0 0 5 -4,-2.6 4,-2.5 2,-0.2 -2,-0.2 0.941 113.2 52.6 -73.8 -46.9 23.7 7.7 11.8 433 172 B Q H X S+ 0 0 106 -4,-2.3 4,-1.4 -5,-0.3 3,-0.3 0.975 113.3 44.1 -44.3 -67.7 23.1 8.3 8.0 434 173 B E H < S+ 0 0 27 -4,-2.4 4,-0.3 1,-0.2 -1,-0.2 0.805 116.4 43.8 -49.8 -47.6 21.5 11.8 8.7 435 174 B V H >< S+ 0 0 0 -4,-1.8 3,-1.2 -5,-0.2 4,-0.4 0.810 104.9 64.3 -72.2 -31.2 24.0 13.1 11.2 436 175 B R H >< S+ 0 0 91 -4,-2.5 3,-1.0 -3,-0.3 -2,-0.2 0.898 94.3 63.3 -57.2 -37.4 26.9 11.8 9.1 437 176 B K T 3< S+ 0 0 162 -4,-1.4 -1,-0.2 1,-0.2 -2,-0.2 0.681 108.7 37.9 -57.8 -23.3 25.8 14.3 6.4 438 177 B I T < S+ 0 0 61 -3,-1.2 -1,-0.2 -4,-0.3 -2,-0.2 0.268 102.0 73.6-124.2 13.5 26.5 17.4 8.5 439 178 B I S < S- 0 0 17 -3,-1.0 4,-0.1 -4,-0.4 -24,-0.0 -0.935 84.4 -95.2-122.1 152.7 29.7 16.7 10.6 440 179 B P > - 0 0 82 0, 0.0 3,-1.3 0, 0.0 -1,-0.1 -0.084 36.2-110.4 -51.6 159.1 33.4 16.5 9.6 441 180 B F T 3 S+ 0 0 108 1,-0.2 -5,-0.0 3,-0.0 -2,-0.0 0.758 118.1 58.4 -63.2 -25.6 35.0 13.1 8.7 442 181 B T T 3 S+ 0 0 125 2,-0.1 2,-0.4 -28,-0.0 -1,-0.2 0.245 86.3 97.1 -86.5 9.7 37.0 13.4 11.9 443 182 B T < - 0 0 19 -3,-1.3 2,-0.3 -7,-0.1 -29,-0.2 -0.883 65.8-139.9-112.4 136.0 34.0 13.6 14.2 444 183 B K E -o 414 0F 93 -31,-1.4 -29,-2.0 -2,-0.4 2,-0.5 -0.653 3.6-138.8-101.6 147.8 32.6 10.6 15.9 445 184 B I E -o 415 0F 0 -2,-0.3 20,-2.0 17,-0.2 19,-1.7 -0.907 14.3-161.4-109.6 128.8 29.0 9.5 16.5 446 185 B E E -op 416 465F 6 -31,-3.0 -29,-3.2 -2,-0.5 2,-0.4 -0.905 1.3-164.3-106.4 134.2 27.9 8.0 19.8 447 186 B V E -op 417 466F 2 18,-1.7 20,-2.7 -2,-0.5 2,-0.4 -0.966 12.2-143.3-117.9 134.7 24.8 6.0 20.2 448 187 B E E + p 0 467F 25 -31,-2.2 2,-0.3 -2,-0.4 20,-0.2 -0.813 27.0 172.4 -98.2 132.4 23.3 5.3 23.7 449 188 B V E - p 0 468F 4 18,-2.6 20,-2.9 -2,-0.4 3,-0.1 -0.958 31.7-162.0-142.1 159.0 21.8 1.9 24.3 450 189 B E S S+ 0 0 90 -2,-0.3 2,-0.3 18,-0.2 18,-0.1 0.303 73.2 28.6-127.4 5.8 20.3 -0.2 27.2 451 190 B N S > S- 0 0 67 1,-0.1 4,-1.3 20,-0.1 18,-0.1 -0.958 81.8 -97.7-155.7 173.3 20.3 -3.8 25.8 452 191 B L H > S+ 0 0 59 -2,-0.3 4,-2.2 2,-0.2 5,-0.3 0.922 114.9 56.1 -60.9 -48.3 22.0 -6.2 23.4 453 192 B E H > S+ 0 0 129 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.951 112.1 42.2 -53.8 -50.6 19.5 -5.8 20.5 454 193 B D H > S+ 0 0 57 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.760 110.3 58.2 -69.7 -26.5 20.0 -2.0 20.3 455 194 B A H X S+ 0 0 0 -4,-1.3 4,-1.9 -3,-0.2 -1,-0.2 0.929 109.6 41.6 -71.2 -45.1 23.8 -2.3 20.8 456 195 B L H X S+ 0 0 51 -4,-2.2 4,-3.3 2,-0.2 5,-0.2 0.895 111.2 57.1 -69.7 -40.2 24.3 -4.5 17.7 457 196 B R H X S+ 0 0 138 -4,-2.2 4,-1.1 -5,-0.3 -1,-0.2 0.909 107.7 48.6 -52.8 -46.7 21.9 -2.4 15.8 458 197 B A H <>S+ 0 0 0 -4,-1.9 5,-1.9 2,-0.2 4,-0.4 0.874 111.2 48.6 -60.2 -44.1 24.0 0.6 16.5 459 198 B V H ><5S+ 0 0 18 -4,-1.9 3,-1.7 1,-0.2 -2,-0.2 0.963 112.4 49.6 -57.1 -49.8 27.2 -1.2 15.5 460 199 B E H 3<5S+ 0 0 164 -4,-3.3 -2,-0.2 1,-0.3 -1,-0.2 0.749 105.7 58.8 -60.5 -26.3 25.4 -2.3 12.3 461 200 B A T 3<5S- 0 0 17 -4,-1.1 -1,-0.3 -5,-0.2 -2,-0.2 0.563 121.4-102.9 -84.9 -5.6 24.4 1.3 11.7 462 201 B G T < 5 + 0 0 34 -3,-1.7 -17,-0.2 -4,-0.4 -3,-0.2 0.526 58.6 165.7 101.5 3.9 28.0 2.7 11.6 463 202 B A < - 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