==== 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 STRUCTURAL GENOMICS, UNKNOWN FUNCTION 07-MAY-04 1T6T . COMPND 2 MOLECULE: PUTATIVE PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: AQUIFEX AEOLICUS; . AUTHOR M.E.CUFF,M.ZHOU,F.COLLART,A.JOACHIMIAK,MIDWEST CENTER FOR ST . 218 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11949.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 164 75.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 24 11.0 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 . 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 . 14 6.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 32 14.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 84 38.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 2.3 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 1 0 5 0 0 2 0 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 6 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 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 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 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 5 1 P 0 0 49 0, 0.0 3,-0.1 0, 0.0 6,-0.0 0.000 360.0 360.0 360.0 136.3 -2.4 -16.4 -20.8 2 6 1 R + 0 0 197 1,-0.1 2,-0.3 2,-0.0 3,-0.0 0.611 360.0 1.3 -84.9 -14.3 -3.0 -16.6 -24.5 3 7 1 N S > S- 0 0 57 1,-0.0 4,-2.0 0, 0.0 3,-0.2 -0.950 87.1 -85.1-159.9 175.8 -3.5 -12.9 -24.9 4 8 1 L H > S+ 0 0 58 -2,-0.3 4,-2.4 1,-0.2 5,-0.2 0.836 122.4 57.9 -60.9 -33.8 -3.5 -9.6 -22.9 5 9 1 S H > S+ 0 0 89 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.922 110.7 41.7 -63.6 -43.4 -7.1 -10.1 -21.9 6 10 1 E H > S+ 0 0 70 -3,-0.2 4,-2.8 2,-0.2 -1,-0.2 0.813 110.0 59.1 -72.6 -29.4 -6.3 -13.4 -20.2 7 11 1 W H X S+ 0 0 1 -4,-2.0 4,-2.6 2,-0.2 -2,-0.2 0.932 108.1 45.8 -62.9 -45.3 -3.1 -11.9 -18.8 8 12 1 I H X S+ 0 0 25 -4,-2.4 4,-2.4 2,-0.2 -2,-0.2 0.916 112.2 51.0 -63.2 -43.8 -5.2 -9.3 -17.0 9 13 1 K H X S+ 0 0 141 -4,-1.9 4,-2.0 1,-0.2 -2,-0.2 0.922 113.8 44.6 -60.5 -44.5 -7.6 -12.0 -15.8 10 14 1 E H X S+ 0 0 70 -4,-2.8 4,-2.7 1,-0.2 -2,-0.2 0.874 111.8 52.1 -69.1 -37.5 -4.8 -14.1 -14.5 11 15 1 L H X S+ 0 0 0 -4,-2.6 4,-1.9 2,-0.2 -2,-0.2 0.896 108.6 51.1 -65.7 -39.4 -3.0 -11.1 -12.9 12 16 1 K H < S+ 0 0 70 -4,-2.4 4,-0.2 2,-0.2 -2,-0.2 0.942 111.8 47.4 -62.5 -46.1 -6.3 -10.1 -11.1 13 17 1 K H >< S+ 0 0 135 -4,-2.0 3,-1.6 1,-0.2 4,-0.3 0.943 112.8 48.8 -59.0 -48.1 -6.6 -13.7 -9.8 14 18 1 A H >X S+ 0 0 24 -4,-2.7 3,-1.8 1,-0.3 4,-1.3 0.788 97.1 71.6 -63.8 -28.6 -3.0 -13.7 -8.7 15 19 1 S T 3< S+ 0 0 4 -4,-1.9 -1,-0.3 1,-0.3 -2,-0.2 0.526 89.1 61.5 -67.9 -6.6 -3.4 -10.4 -6.9 16 20 1 R T <4 S+ 0 0 143 -3,-1.6 -1,-0.3 -4,-0.2 -2,-0.2 0.591 114.7 34.1 -90.9 -12.3 -5.5 -12.0 -4.2 17 21 1 E T <4 S+ 0 0 145 -3,-1.8 43,-0.4 -4,-0.3 42,-0.3 0.504 126.6 26.9-116.1 -11.7 -2.5 -14.2 -3.3 18 22 1 A S < S- 0 0 3 -4,-1.3 2,-0.4 41,-0.1 -1,-0.2 -0.989 76.7-112.1-150.6 154.9 0.4 -11.8 -3.9 19 23 1 V E -a 61 0A 2 41,-1.8 43,-3.1 -2,-0.3 2,-0.4 -0.729 26.6-136.9 -92.9 139.2 1.1 -8.1 -4.0 20 24 1 I E -ab 62 39A 0 18,-2.6 20,-2.8 -2,-0.4 2,-0.5 -0.788 14.0-155.3 -95.1 133.7 1.9 -6.4 -7.2 21 25 1 L E +ab 63 40A 4 41,-2.9 43,-2.5 -2,-0.4 2,-0.3 -0.942 18.3 168.9-113.0 129.8 4.8 -3.8 -7.3 22 26 1 V E - b 0 41A 0 18,-2.6 20,-2.7 -2,-0.5 43,-0.2 -0.830 37.5-121.6-129.9 169.4 4.9 -1.0 -9.9 23 27 1 E S S+ 0 0 15 41,-0.4 20,-2.8 -2,-0.3 2,-0.2 0.946 82.2 31.6 -79.7 -51.2 7.0 2.1 -10.2 24 28 1 G S >> S- 0 0 8 18,-0.2 4,-1.9 17,-0.1 3,-0.6 -0.705 70.7-117.4-119.3 166.9 4.4 4.9 -10.3 25 29 1 K H 3> S+ 0 0 150 1,-0.3 4,-2.1 -2,-0.2 5,-0.1 0.817 116.0 55.6 -60.4 -33.1 1.1 6.1 -9.1 26 30 1 N H 3> S+ 0 0 63 2,-0.2 4,-2.1 1,-0.2 -1,-0.3 0.788 104.1 52.4 -71.9 -29.5 -0.2 6.1 -12.7 27 31 1 D H <> S+ 0 0 3 -3,-0.6 4,-2.0 2,-0.2 -2,-0.2 0.900 110.7 48.9 -70.8 -39.8 0.8 2.5 -13.2 28 32 1 K H X S+ 0 0 74 -4,-1.9 4,-1.9 1,-0.2 -2,-0.2 0.895 110.2 50.8 -64.7 -40.4 -1.2 1.7 -10.0 29 33 1 K H X S+ 0 0 109 -4,-2.1 4,-1.1 1,-0.2 -1,-0.2 0.902 107.5 54.0 -64.2 -41.3 -4.2 3.8 -11.4 30 34 1 A H >< S+ 0 0 16 -4,-2.1 3,-0.6 1,-0.2 4,-0.4 0.921 109.5 46.9 -59.8 -45.3 -4.0 1.9 -14.7 31 35 1 L H ><>S+ 0 0 3 -4,-2.0 5,-1.8 1,-0.2 3,-1.6 0.867 104.1 63.3 -65.1 -34.9 -4.3 -1.5 -12.9 32 36 1 S H ><5S+ 0 0 40 -4,-1.9 3,-2.0 1,-0.3 -1,-0.2 0.807 91.3 64.6 -59.5 -32.0 -7.1 -0.2 -10.8 33 37 1 K T <<5S+ 0 0 157 -4,-1.1 -1,-0.3 -3,-0.6 -2,-0.2 0.750 102.7 49.3 -65.4 -21.4 -9.3 0.3 -13.9 34 38 1 F T < 5S- 0 0 75 -3,-1.6 -1,-0.3 -4,-0.4 -2,-0.2 0.184 125.1-105.1-100.2 14.8 -9.2 -3.5 -14.3 35 39 1 S T < 5S+ 0 0 68 -3,-2.0 2,-0.8 1,-0.2 -3,-0.2 0.798 77.5 138.8 65.5 30.5 -10.2 -4.0 -10.7 36 40 1 I < + 0 0 1 -5,-1.8 -1,-0.2 1,-0.1 -2,-0.2 -0.919 14.9 155.0-106.3 105.0 -6.6 -5.0 -9.7 37 41 1 K + 0 0 134 -2,-0.8 2,-2.5 1,-0.1 -1,-0.1 0.649 40.5 91.9-108.4 -21.4 -6.1 -3.2 -6.4 38 42 1 N + 0 0 43 -26,-0.1 -18,-2.6 -20,-0.1 2,-0.4 -0.455 65.4 128.5 -79.2 72.0 -3.4 -5.1 -4.4 39 43 1 V E -b 20 0A 6 -2,-2.5 2,-0.4 -20,-0.2 -18,-0.2 -0.980 45.4-158.6-133.7 139.1 -0.7 -2.9 -5.8 40 44 1 I E -b 21 0A 14 -20,-2.8 -18,-2.6 -2,-0.4 2,-0.5 -0.972 12.8-146.4-117.8 130.1 2.1 -0.9 -4.2 41 45 1 D E -b 22 0A 25 -2,-0.4 -18,-0.2 -20,-0.2 -17,-0.1 -0.838 5.0-155.2 -96.2 130.9 3.8 2.0 -6.2 42 46 1 L > + 0 0 10 -20,-2.7 3,-2.1 -2,-0.5 112,-0.2 0.837 61.7 100.3 -75.9 -35.8 7.5 2.4 -5.4 43 47 1 S T 3 S+ 0 0 21 -20,-2.8 3,-0.1 1,-0.3 -2,-0.1 -0.304 90.1 23.9 -56.0 128.4 8.0 6.0 -6.2 44 48 1 G T 3 S+ 0 0 21 111,-0.5 113,-0.4 1,-0.3 2,-0.3 0.464 108.6 94.6 94.6 2.4 8.0 8.0 -3.0 45 49 1 K S < S- 0 0 43 -3,-2.1 109,-0.5 111,-0.2 -1,-0.3 -0.924 75.8-118.1-127.1 151.7 9.0 5.0 -0.8 46 50 1 R >> - 0 0 99 -2,-0.3 3,-1.5 1,-0.1 4,-1.0 -0.608 33.6-117.6 -80.3 148.9 12.3 3.7 0.5 47 51 1 Y H >> S+ 0 0 52 107,-0.3 4,-1.1 1,-0.3 3,-0.8 0.899 118.8 55.0 -55.2 -37.9 13.0 0.2 -0.9 48 52 1 A H 3> S+ 0 0 51 1,-0.2 4,-2.5 106,-0.2 -1,-0.3 0.708 93.9 68.5 -68.2 -20.5 12.8 -1.0 2.7 49 53 1 D H <> S+ 0 0 21 -3,-1.5 4,-1.9 1,-0.2 -1,-0.2 0.871 98.6 51.6 -65.8 -34.5 9.4 0.6 3.2 50 54 1 V H X S+ 0 0 3 -4,-1.6 3,-2.7 -3,-0.4 4,-2.5 0.753 83.5 118.0 -92.0 -28.6 4.7 -6.8 3.3 55 59 1 E T 3< S- 0 0 127 -4,-2.5 4,-0.1 1,-0.3 -4,-0.0 -0.139 92.0 -1.2 -47.2 124.1 6.5 -8.5 6.3 56 60 1 G T 34 S+ 0 0 85 2,-0.3 -1,-0.3 1,-0.1 3,-0.1 0.404 129.1 66.7 75.7 -3.2 4.2 -11.1 7.9 57 61 1 K T <4 S+ 0 0 149 -3,-2.7 2,-0.4 1,-0.4 -2,-0.2 0.731 103.3 25.6-114.0 -43.6 1.3 -10.3 5.5 58 62 1 W < - 0 0 79 -4,-2.5 -1,-0.4 1,-0.1 -2,-0.3 -0.975 46.0-174.8-129.7 141.6 2.4 -11.4 2.1 59 63 1 E S S+ 0 0 162 -2,-0.4 29,-3.1 -42,-0.3 2,-0.4 0.673 73.6 51.5-103.0 -24.6 4.9 -14.1 1.1 60 64 1 K E - c 0 88A 87 -43,-0.4 -41,-1.8 27,-0.2 2,-0.4 -0.912 60.3-167.3-121.1 145.6 4.9 -13.5 -2.7 61 65 1 V E -ac 19 89A 0 27,-2.6 29,-3.2 -2,-0.4 2,-0.6 -0.993 13.4-145.0-131.8 135.7 5.4 -10.4 -4.8 62 66 1 I E -ac 20 90A 1 -43,-3.1 -41,-2.9 -2,-0.4 2,-0.6 -0.884 17.7-144.0-100.7 119.3 4.7 -9.9 -8.5 63 67 1 L E +a 21 0A 0 27,-2.5 31,-0.5 -2,-0.6 -41,-0.1 -0.741 26.7 167.1 -87.6 123.0 7.1 -7.5 -10.1 64 68 1 L + 0 0 0 -43,-2.5 -41,-0.4 -2,-0.6 2,-0.2 -0.398 16.3 148.2-131.9 58.0 5.6 -5.3 -12.8 65 69 1 F - 0 0 2 -43,-0.2 -43,-0.1 1,-0.1 6,-0.1 -0.605 56.3 -89.1 -89.5 153.0 8.1 -2.6 -13.6 66 70 1 D - 0 0 16 -2,-0.2 38,-0.2 1,-0.1 9,-0.2 -0.113 30.6-122.8 -57.1 160.0 8.3 -1.1 -17.1 67 71 1 L S S+ 0 0 37 36,-2.6 -1,-0.1 4,-0.1 37,-0.1 0.453 78.9 103.7 -86.9 -0.3 10.6 -2.8 -19.6 68 72 1 D S > S- 0 0 48 35,-0.5 4,-2.5 1,-0.1 5,-0.2 -0.093 93.3 -92.6 -71.2 179.2 12.6 0.3 -20.3 69 73 1 T H > S+ 0 0 91 2,-0.2 4,-2.0 1,-0.2 5,-0.2 0.910 127.4 51.2 -60.8 -44.1 16.1 0.8 -18.8 70 74 1 H H > S+ 0 0 50 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.933 113.3 46.2 -58.5 -46.8 14.8 2.7 -15.8 71 75 1 G H > S+ 0 0 1 1,-0.2 4,-2.6 2,-0.2 -2,-0.2 0.876 109.4 52.7 -64.8 -41.1 12.3 -0.2 -15.2 72 76 1 E H X S+ 0 0 59 -4,-2.5 4,-2.4 2,-0.2 -1,-0.2 0.869 108.4 51.4 -64.4 -38.2 14.8 -3.0 -15.6 73 77 1 R H X S+ 0 0 96 -4,-2.0 4,-2.0 2,-0.2 -1,-0.2 0.917 112.8 44.5 -65.6 -43.1 17.2 -1.4 -13.1 74 78 1 I H X S+ 0 0 8 -4,-1.7 4,-2.8 2,-0.2 5,-0.3 0.898 110.9 55.7 -68.3 -37.9 14.4 -1.1 -10.5 75 79 1 N H X S+ 0 0 0 -4,-2.6 4,-2.4 1,-0.2 -2,-0.2 0.938 109.9 44.9 -59.0 -47.5 13.2 -4.6 -11.3 76 80 1 Q H X S+ 0 0 88 -4,-2.4 4,-2.3 2,-0.2 -1,-0.2 0.893 113.3 50.9 -64.6 -39.6 16.7 -6.0 -10.6 77 81 1 K H X S+ 0 0 99 -4,-2.0 4,-2.5 1,-0.2 -2,-0.2 0.940 114.6 41.6 -63.3 -49.3 17.1 -4.0 -7.4 78 82 1 X H X S+ 0 0 0 -4,-2.8 4,-2.9 2,-0.2 5,-0.3 0.856 112.1 55.7 -69.2 -33.7 13.7 -5.0 -5.9 79 83 1 K H X S+ 0 0 76 -4,-2.4 4,-2.2 -5,-0.3 5,-0.2 0.955 112.2 43.0 -62.2 -49.0 14.2 -8.7 -7.0 80 84 1 E H X S+ 0 0 129 -4,-2.3 4,-1.9 2,-0.2 -2,-0.2 0.911 117.9 45.4 -63.2 -44.7 17.5 -8.8 -5.1 81 85 1 L H X S+ 0 0 40 -4,-2.5 4,-1.3 -5,-0.2 -2,-0.2 0.963 114.9 45.2 -65.8 -51.6 16.2 -7.0 -2.1 82 86 1 L H <>S+ 0 0 0 -4,-2.9 5,-2.5 1,-0.2 3,-0.3 0.895 114.5 48.3 -61.7 -40.4 12.9 -8.9 -1.8 83 87 1 S H ><5S+ 0 0 59 -4,-2.2 3,-1.6 -5,-0.3 -1,-0.2 0.902 108.2 55.2 -67.5 -37.5 14.5 -12.3 -2.3 84 88 1 S H 3<5S+ 0 0 67 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.782 107.2 51.7 -64.5 -25.5 17.2 -11.4 0.3 85 89 1 Q T 3<5S- 0 0 110 -4,-1.3 -1,-0.3 -3,-0.3 -2,-0.2 0.369 126.2 -98.0 -93.4 4.0 14.4 -10.7 2.8 86 90 1 G T < 5S+ 0 0 65 -3,-1.6 -3,-0.2 1,-0.3 2,-0.2 0.522 76.3 136.1 96.4 5.2 12.7 -14.1 2.2 87 91 1 F < - 0 0 21 -5,-2.5 2,-0.5 -6,-0.2 -1,-0.3 -0.562 55.5-121.9 -87.3 151.9 9.9 -13.1 -0.2 88 92 1 L E -c 60 0A 105 -29,-3.1 -27,-2.6 -2,-0.2 2,-0.5 -0.801 29.3-149.0 -89.3 130.8 9.0 -15.2 -3.3 89 93 1 V E -c 61 0A 41 -2,-0.5 2,-0.6 -29,-0.2 -27,-0.2 -0.909 6.4-157.8-108.9 127.5 9.4 -13.0 -6.4 90 94 1 D E +c 62 0A 23 -29,-3.2 -27,-2.5 -2,-0.5 4,-0.2 -0.905 23.7 161.0-106.3 119.7 7.2 -13.6 -9.5 91 95 1 E > + 0 0 32 -2,-0.6 4,-2.7 -29,-0.2 5,-0.2 0.329 51.2 99.0-114.3 1.6 8.5 -12.3 -12.8 92 96 1 N H > S+ 0 0 102 1,-0.2 4,-1.3 2,-0.2 5,-0.1 0.887 82.8 47.7 -58.1 -43.9 6.3 -14.4 -15.0 93 97 1 F H > S+ 0 0 25 2,-0.2 4,-1.2 1,-0.2 3,-0.4 0.938 113.6 47.4 -64.7 -45.7 3.7 -11.7 -15.7 94 98 1 R H >> S+ 0 0 0 -31,-0.5 4,-1.8 1,-0.2 3,-0.5 0.911 108.7 55.6 -61.3 -42.0 6.3 -9.1 -16.5 95 99 1 N H 3X S+ 0 0 62 -4,-2.7 4,-1.7 1,-0.3 -1,-0.2 0.789 101.8 57.0 -63.4 -27.3 8.1 -11.6 -18.8 96 100 1 F H 3X S+ 0 0 61 -4,-1.3 4,-1.5 -3,-0.4 -1,-0.3 0.844 105.0 51.7 -71.1 -32.7 4.9 -12.1 -20.8 97 101 1 L H <<>S+ 0 0 2 -4,-1.2 5,-2.5 -3,-0.5 4,-0.4 0.885 104.6 56.6 -69.3 -37.7 4.8 -8.4 -21.5 98 102 1 K H ><5S+ 0 0 87 -4,-1.8 3,-1.3 1,-0.2 -2,-0.2 0.934 106.4 51.4 -56.1 -45.9 8.4 -8.7 -22.7 99 103 1 K H 3<5S+ 0 0 125 -4,-1.7 -1,-0.2 1,-0.3 -2,-0.2 0.855 113.3 42.6 -60.4 -39.0 7.2 -11.2 -25.2 100 104 1 W T 3<5S- 0 0 71 -4,-1.5 -1,-0.3 2,-0.1 -2,-0.2 0.313 112.6-117.9 -92.2 9.1 4.3 -9.0 -26.5 101 105 1 N T < 5 + 0 0 138 -3,-1.3 2,-1.0 -4,-0.4 -3,-0.2 0.862 58.1 155.8 58.7 39.0 6.6 -5.9 -26.5 102 106 1 I < + 0 0 22 -5,-2.5 -1,-0.2 1,-0.2 -35,-0.1 -0.827 13.3 175.1 -98.8 97.9 4.5 -4.1 -24.0 103 107 1 I + 0 0 76 -2,-1.0 -36,-2.6 1,-0.1 -35,-0.5 0.863 59.5 44.0 -72.3 -40.7 7.0 -1.6 -22.5 104 108 1 H > - 0 0 66 -38,-0.2 3,-1.4 1,-0.1 4,-0.4 -0.921 63.0-147.3-116.9 134.9 4.9 0.4 -20.2 105 109 1 I G > S+ 0 0 2 -2,-0.4 3,-2.0 1,-0.3 -1,-0.1 0.868 102.7 63.1 -60.8 -36.9 2.2 -0.8 -17.8 106 110 1 E G 3 S+ 0 0 79 1,-0.3 -1,-0.3 2,-0.2 -3,-0.0 0.722 89.9 69.9 -60.8 -20.3 0.3 2.5 -18.4 107 111 1 E G < 0 0 109 -3,-1.4 -1,-0.3 1,-0.1 -2,-0.2 0.739 360.0 360.0 -68.5 -23.6 -0.0 1.2 -22.0 108 112 1 I < 0 0 42 -3,-2.0 -2,-0.2 -4,-0.4 -3,-0.1 0.956 360.0 360.0 -81.5 360.0 -2.4 -1.4 -20.8 109 !* 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 0.0 110 4 2 E 0 0 179 0, 0.0 7,-0.1 0, 0.0 2,-0.0 0.000 360.0 360.0 360.0 -53.3 23.8 31.6 -21.4 111 5 2 P - 0 0 15 0, 0.0 3,-0.1 0, 0.0 4,-0.0 -0.351 360.0-162.6 -61.4 137.0 25.5 28.3 -22.2 112 6 2 R S S+ 0 0 199 1,-0.1 2,-0.3 -2,-0.0 3,-0.0 0.691 71.4 6.5 -92.6 -22.1 26.3 27.8 -25.9 113 7 2 N S > S- 0 0 70 1,-0.1 4,-1.9 97,-0.0 5,-0.1 -0.887 85.7 -89.7-148.7 177.8 26.8 24.1 -25.6 114 8 2 L H > S+ 0 0 64 -2,-0.3 4,-2.7 1,-0.2 5,-0.2 0.867 121.7 58.6 -62.1 -37.4 26.6 21.1 -23.2 115 9 2 S H > S+ 0 0 83 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.921 109.4 42.1 -59.0 -46.4 30.2 21.7 -22.1 116 10 2 E H > S+ 0 0 45 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.832 111.8 56.4 -70.3 -31.6 29.4 25.2 -21.0 117 11 2 W H X S+ 0 0 1 -4,-1.9 4,-2.5 2,-0.2 -2,-0.2 0.926 108.3 47.3 -64.1 -44.9 26.1 24.0 -19.4 118 12 2 I H X S+ 0 0 18 -4,-2.7 4,-2.6 2,-0.2 -2,-0.2 0.885 110.5 52.2 -64.1 -39.6 28.1 21.5 -17.3 119 13 2 K H X S+ 0 0 115 -4,-1.8 4,-1.9 2,-0.2 -1,-0.2 0.917 112.0 45.7 -63.2 -43.1 30.6 24.1 -16.3 120 14 2 E H X S+ 0 0 75 -4,-2.3 4,-2.4 2,-0.2 -2,-0.2 0.883 112.1 51.7 -67.4 -39.3 27.8 26.4 -15.2 121 15 2 L H X S+ 0 0 0 -4,-2.5 4,-2.0 2,-0.2 -2,-0.2 0.922 107.9 51.6 -64.3 -43.6 26.0 23.6 -13.4 122 16 2 K H < S+ 0 0 72 -4,-2.6 4,-0.3 2,-0.2 -1,-0.2 0.923 111.0 47.9 -59.9 -44.0 29.2 22.7 -11.5 123 17 2 K H >< S+ 0 0 109 -4,-1.9 3,-1.5 1,-0.2 4,-0.3 0.933 112.5 49.1 -61.2 -45.8 29.6 26.2 -10.3 124 18 2 A H >X S+ 0 0 25 -4,-2.4 3,-1.8 1,-0.3 4,-1.4 0.792 97.4 71.0 -64.3 -29.1 26.0 26.4 -9.3 125 19 2 S T 3< S+ 0 0 3 -4,-2.0 -1,-0.3 1,-0.3 -2,-0.2 0.543 88.0 63.3 -67.7 -7.9 26.3 23.1 -7.4 126 20 2 R T <4 S+ 0 0 146 -3,-1.5 -1,-0.3 -4,-0.3 -2,-0.2 0.631 114.3 32.9 -87.9 -14.2 28.5 24.8 -4.7 127 21 2 E T <4 S+ 0 0 140 -3,-1.8 43,-0.4 -4,-0.3 42,-0.3 0.529 126.4 30.6-114.1 -14.7 25.5 27.0 -3.8 128 22 2 A S < S- 0 0 2 -4,-1.4 2,-0.3 41,-0.1 -1,-0.2 -0.994 75.8-115.6-147.0 151.5 22.6 24.6 -4.5 129 23 2 V E -d 171 0B 1 41,-1.8 43,-3.6 -2,-0.3 2,-0.4 -0.663 26.6-136.4 -88.7 141.5 21.9 20.9 -4.3 130 24 2 I E -de 172 149B 0 18,-2.4 20,-2.8 -2,-0.3 2,-0.5 -0.825 13.6-155.1 -98.9 134.9 21.0 19.0 -7.5 131 25 2 L E +de 173 150B 3 41,-2.9 43,-2.6 -2,-0.4 2,-0.3 -0.942 19.2 166.7-113.5 128.1 18.2 16.5 -7.5 132 26 2 V E - e 0 151B 0 18,-2.5 20,-2.6 -2,-0.5 43,-0.2 -0.826 38.1-122.2-130.1 170.9 18.0 13.6 -10.0 133 27 2 E S S+ 0 0 8 41,-0.4 20,-2.9 -2,-0.3 2,-0.2 0.943 81.5 35.4 -81.9 -51.4 16.0 10.5 -10.2 134 28 2 G >> - 0 0 13 18,-0.2 4,-1.9 17,-0.1 3,-0.5 -0.672 69.8-120.3-116.0 165.6 18.6 7.7 -10.3 135 29 2 K H 3> S+ 0 0 113 1,-0.3 4,-2.2 -2,-0.2 5,-0.1 0.824 115.3 56.1 -62.1 -32.6 22.0 6.6 -9.0 136 30 2 N H 3> S+ 0 0 56 2,-0.2 4,-2.1 1,-0.2 -1,-0.3 0.799 104.0 52.8 -71.8 -28.1 23.2 6.4 -12.6 137 31 2 D H <> S+ 0 0 8 -3,-0.5 4,-1.9 2,-0.2 -2,-0.2 0.907 110.3 48.6 -70.7 -40.4 22.3 10.1 -13.1 138 32 2 K H X S+ 0 0 76 -4,-1.9 4,-1.9 1,-0.2 -2,-0.2 0.899 111.2 50.2 -64.6 -40.0 24.3 10.9 -10.0 139 33 2 K H X S+ 0 0 104 -4,-2.2 4,-1.3 1,-0.2 -1,-0.2 0.896 107.1 54.1 -65.5 -40.1 27.2 8.8 -11.4 140 34 2 A H < S+ 0 0 1 -4,-2.1 4,-0.4 1,-0.2 3,-0.3 0.898 110.9 45.9 -60.8 -41.6 27.1 10.6 -14.7 141 35 2 L H ><>S+ 0 0 0 -4,-1.9 5,-2.1 1,-0.2 3,-1.4 0.858 104.5 62.3 -69.4 -35.2 27.3 14.0 -13.0 142 36 2 S H ><5S+ 0 0 42 -4,-1.9 3,-2.0 1,-0.3 -1,-0.2 0.830 92.7 64.8 -59.9 -33.0 30.2 12.7 -10.8 143 37 2 K T 3<5S+ 0 0 156 -4,-1.3 -1,-0.3 1,-0.3 -2,-0.2 0.760 102.7 48.3 -62.4 -24.3 32.3 12.1 -13.9 144 38 2 F T < 5S- 0 0 78 -3,-1.4 -1,-0.3 -4,-0.4 -2,-0.2 0.130 125.7-103.5-101.0 18.3 32.2 15.9 -14.4 145 39 2 S T < 5S+ 0 0 73 -3,-2.0 2,-0.8 1,-0.2 -3,-0.2 0.760 78.3 138.9 65.6 26.7 33.2 16.5 -10.8 146 40 2 I < + 0 0 1 -5,-2.1 -1,-0.2 1,-0.2 -2,-0.2 -0.895 14.3 154.4-103.2 104.3 29.6 17.5 -9.9 147 41 2 K + 0 0 134 -2,-0.8 2,-2.7 1,-0.1 -1,-0.2 0.668 40.9 91.9-106.0 -23.3 29.1 15.8 -6.5 148 42 2 N + 0 0 41 -26,-0.1 -18,-2.4 -20,-0.1 2,-0.4 -0.419 65.5 128.1 -77.4 71.2 26.4 17.8 -4.6 149 43 2 V E -e 130 0B 6 -2,-2.7 2,-0.4 -20,-0.2 -18,-0.2 -0.971 45.0-159.6-132.7 141.0 23.7 15.6 -6.0 150 44 2 I E -e 131 0B 14 -20,-2.8 -18,-2.5 -2,-0.4 2,-0.5 -0.983 12.7-147.1-120.5 129.4 20.8 13.6 -4.4 151 45 2 D E -e 132 0B 23 -2,-0.4 -18,-0.2 -20,-0.2 -17,-0.1 -0.849 3.9-154.9 -97.7 130.3 19.2 10.7 -6.2 152 46 2 L > + 0 0 6 -20,-2.6 3,-2.1 -2,-0.5 -108,-0.2 0.832 61.4 100.1 -73.7 -37.8 15.5 10.3 -5.4 153 47 2 S T 3 S+ 0 0 22 -20,-2.9 3,-0.1 1,-0.3 -2,-0.1 -0.280 90.4 24.0 -55.2 131.4 14.9 6.6 -6.1 154 48 2 G T 3 S+ 0 0 20 -109,-0.5 2,-0.3 1,-0.3 -107,-0.3 0.496 109.7 94.7 90.8 3.3 14.9 4.7 -2.9 155 49 2 K S < S- 0 0 42 -3,-2.1 -111,-0.5 -109,-0.2 -1,-0.3 -0.933 75.4-120.1-127.7 151.3 13.9 7.8 -0.9 156 50 2 R >> - 0 0 99 -2,-0.3 3,-1.0 1,-0.1 4,-0.9 -0.585 33.4-117.7 -79.9 152.6 10.6 9.2 0.4 157 51 2 Y H >> S+ 0 0 53 -113,-0.4 4,-1.2 1,-0.3 3,-0.9 0.912 118.5 56.1 -59.0 -38.2 10.0 12.7 -1.1 158 52 2 A H 3> S+ 0 0 52 1,-0.2 4,-2.6 -114,-0.2 -1,-0.3 0.737 94.3 67.4 -64.6 -24.0 10.1 13.9 2.6 159 53 2 D H <> S+ 0 0 19 -3,-1.0 4,-1.9 2,-0.2 -1,-0.2 0.879 99.1 50.8 -64.1 -36.8 13.5 12.3 3.0 160 54 2 V H X S+ 0 0 3 -4,-1.7 3,-2.7 -3,-0.3 4,-2.4 0.722 83.7 120.0 -91.5 -25.0 18.2 19.7 3.0 165 59 2 E T 3< S- 0 0 135 -4,-2.2 4,-0.1 1,-0.3 -3,-0.0 -0.149 91.5 -3.1 -47.9 124.7 16.5 21.4 6.0 166 60 2 G T 34 S+ 0 0 86 2,-0.2 -1,-0.3 1,-0.1 3,-0.1 0.500 128.8 69.3 70.8 3.8 18.7 24.0 7.5 167 61 2 K T <4 S+ 0 0 161 -3,-2.7 2,-0.4 1,-0.4 -2,-0.2 0.712 101.7 23.7-117.8 -43.2 21.6 23.2 5.2 168 62 2 W < - 0 0 81 -4,-2.4 -1,-0.4 1,-0.1 -2,-0.2 -0.984 46.6-173.6-130.5 140.5 20.6 24.3 1.7 169 63 2 E S S+ 0 0 153 -2,-0.4 29,-3.1 -42,-0.3 2,-0.4 0.652 73.7 54.7-102.0 -21.4 18.1 26.9 0.6 170 64 2 K E - f 0 198B 69 -43,-0.4 -41,-1.8 27,-0.2 2,-0.4 -0.917 60.4-167.4-121.1 142.5 18.2 26.3 -3.1 171 65 2 V E -df 129 199B 0 27,-2.7 29,-3.3 -2,-0.4 2,-0.6 -0.991 12.6-148.1-130.2 130.7 17.6 23.1 -5.1 172 66 2 I E -df 130 200B 0 -43,-3.6 -41,-2.9 -2,-0.4 2,-0.5 -0.865 18.0-145.6 -97.0 117.3 18.3 22.5 -8.8 173 67 2 L E +d 131 0B 0 27,-2.2 31,-0.4 -2,-0.6 -41,-0.1 -0.737 25.2 169.0 -86.4 123.7 15.8 20.1 -10.3 174 68 2 L + 0 0 0 -43,-2.6 -41,-0.4 -2,-0.5 2,-0.2 -0.397 15.6 148.6-132.0 58.7 17.4 17.8 -13.0 175 69 2 F - 0 0 0 -43,-0.2 6,-0.1 1,-0.2 -43,-0.1 -0.561 56.1 -83.8 -89.3 157.0 14.9 15.1 -13.8 176 70 2 D - 0 0 20 -2,-0.2 38,-0.2 1,-0.1 9,-0.2 -0.097 33.3-121.3 -56.5 158.6 14.7 13.6 -17.3 177 71 2 L S S+ 0 0 33 36,-3.2 37,-0.1 4,-0.1 -1,-0.1 0.169 80.8 97.9 -90.1 17.6 12.7 15.3 -19.9 178 72 2 D S > S- 0 0 47 35,-0.3 4,-2.5 1,-0.1 5,-0.2 -0.390 94.9 -90.5 -95.8 178.2 10.3 12.4 -20.6 179 73 2 T H > S+ 0 0 95 1,-0.2 4,-2.0 2,-0.2 5,-0.2 0.906 126.9 51.3 -55.2 -45.6 6.8 11.9 -19.1 180 74 2 H H > S+ 0 0 37 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.911 113.1 45.2 -59.3 -44.6 8.2 10.0 -16.1 181 75 2 G H > S+ 0 0 1 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.858 109.5 54.6 -69.4 -36.1 10.7 12.8 -15.3 182 76 2 E H X S+ 0 0 63 -4,-2.5 4,-2.4 2,-0.2 -1,-0.2 0.869 107.1 50.8 -66.4 -37.5 8.2 15.6 -15.8 183 77 2 R H X S+ 0 0 97 -4,-2.0 4,-2.3 -5,-0.2 -1,-0.2 0.928 113.8 44.3 -65.7 -44.3 5.8 14.1 -13.3 184 78 2 I H X S+ 0 0 9 -4,-1.6 4,-2.9 2,-0.2 5,-0.3 0.908 111.4 54.7 -66.4 -40.7 8.5 13.8 -10.7 185 79 2 N H X S+ 0 0 0 -4,-2.7 4,-2.4 1,-0.2 -2,-0.2 0.941 111.0 44.6 -57.1 -48.9 9.8 17.3 -11.5 186 80 2 Q H X S+ 0 0 85 -4,-2.4 4,-2.4 2,-0.2 -1,-0.2 0.902 113.2 50.8 -63.1 -42.9 6.3 18.8 -10.9 187 81 2 K H X S+ 0 0 111 -4,-2.3 4,-2.4 1,-0.2 -2,-0.2 0.935 115.2 41.4 -60.8 -49.3 5.8 16.8 -7.7 188 82 2 X H X S+ 0 0 0 -4,-2.9 4,-2.9 2,-0.2 5,-0.3 0.849 111.3 56.7 -70.3 -33.0 9.2 17.8 -6.2 189 83 2 K H X S+ 0 0 76 -4,-2.4 4,-2.3 -5,-0.3 5,-0.2 0.957 111.9 42.7 -61.5 -48.4 8.8 21.4 -7.4 190 84 2 E H X S+ 0 0 128 -4,-2.4 4,-2.1 2,-0.2 -2,-0.2 0.925 116.9 47.2 -63.3 -45.9 5.5 21.6 -5.5 191 85 2 L H X S+ 0 0 40 -4,-2.4 4,-1.3 -5,-0.2 -2,-0.2 0.956 114.1 44.9 -62.3 -52.7 6.8 19.8 -2.4 192 86 2 L H ><>S+ 0 0 0 -4,-2.9 5,-2.4 1,-0.2 3,-0.5 0.916 114.1 48.8 -61.0 -43.2 10.1 21.8 -2.1 193 87 2 S H ><5S+ 0 0 58 -4,-2.3 3,-1.4 -5,-0.3 -1,-0.2 0.896 108.2 55.5 -64.6 -35.8 8.4 25.1 -2.7 194 88 2 S H 3<5S+ 0 0 66 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.780 107.2 51.0 -66.3 -25.3 5.8 24.2 -0.1 195 89 2 Q T <<5S- 0 0 109 -4,-1.3 -1,-0.3 -3,-0.5 -2,-0.2 0.344 126.3 -97.2 -94.1 4.6 8.6 23.6 2.4 196 90 2 G T < 5S+ 0 0 65 -3,-1.4 2,-0.2 1,-0.3 -3,-0.2 0.547 76.4 137.5 95.2 7.4 10.3 26.9 1.8 197 91 2 F < - 0 0 21 -5,-2.4 2,-0.5 -6,-0.2 -1,-0.3 -0.573 55.0-122.2 -87.6 151.6 13.0 26.0 -0.6 198 92 2 L E -f 170 0B 105 -29,-3.1 -27,-2.7 -2,-0.2 2,-0.5 -0.821 29.2-148.1 -90.7 126.2 13.9 28.0 -3.7 199 93 2 V E -f 171 0B 41 -2,-0.5 2,-0.6 -29,-0.2 -27,-0.2 -0.867 7.4-159.4-103.8 124.9 13.5 25.8 -6.8 200 94 2 D E +f 172 0B 25 -29,-3.3 -27,-2.2 -2,-0.5 4,-0.2 -0.898 23.5 160.2-105.5 115.7 15.8 26.3 -9.8 201 95 2 E > + 0 0 31 -2,-0.6 4,-3.0 -29,-0.2 5,-0.2 0.363 50.2 99.6-110.6 0.1 14.5 24.9 -13.1 202 96 2 N H > S+ 0 0 119 1,-0.2 4,-1.6 2,-0.2 5,-0.1 0.866 82.2 48.5 -56.3 -41.2 16.7 27.0 -15.4 203 97 2 F H > S+ 0 0 24 2,-0.2 4,-1.2 1,-0.2 -1,-0.2 0.925 114.9 44.0 -67.7 -43.6 19.3 24.2 -16.0 204 98 2 R H > S+ 0 0 1 -31,-0.4 4,-0.6 1,-0.2 3,-0.4 0.922 113.1 51.9 -66.4 -44.2 16.6 21.6 -16.8 205 99 2 N H >< S+ 0 0 62 -4,-3.0 3,-0.8 1,-0.2 4,-0.2 0.827 103.0 59.7 -62.8 -31.1 14.7 24.1 -19.0 206 100 2 F H >< S+ 0 0 35 -4,-1.6 3,-1.6 -5,-0.2 -1,-0.2 0.880 97.9 58.8 -64.8 -37.0 17.9 24.9 -20.9 207 101 2 L H >< S+ 0 0 1 -4,-1.2 3,-1.8 -3,-0.4 5,-0.3 0.712 85.8 79.5 -65.0 -20.3 18.3 21.3 -22.0 208 102 2 K T << S+ 0 0 113 -3,-0.8 -1,-0.3 -4,-0.6 -2,-0.2 0.702 88.2 57.1 -61.9 -18.3 14.9 21.4 -23.7 209 103 2 K T < S+ 0 0 132 -3,-1.6 -1,-0.3 -4,-0.2 2,-0.2 0.581 103.7 63.1 -88.9 -11.0 16.5 23.2 -26.6 210 104 2 W S < S- 0 0 71 -3,-1.8 2,-1.8 -4,-0.2 -97,-0.0 -0.643 98.4 -92.9-111.3 169.7 19.0 20.4 -27.3 211 105 2 N S S+ 0 0 160 -2,-0.2 2,-0.3 2,-0.0 -3,-0.1 -0.558 82.3 108.8 -83.9 80.8 18.7 16.8 -28.3 212 106 2 I + 0 0 15 -2,-1.8 3,-0.1 -5,-0.3 -2,-0.1 -0.990 28.7 164.2-152.3 145.1 18.6 15.1 -24.8 213 107 2 I S S+ 0 0 66 1,-0.3 -36,-3.2 -2,-0.3 2,-0.5 0.587 71.1 51.1-126.4 -46.9 16.0 13.4 -22.7 214 108 2 H > - 0 0 76 -38,-0.2 3,-2.6 -37,-0.1 -1,-0.3 -0.851 69.3-142.0-102.9 129.3 17.9 11.6 -20.0 215 109 2 I G > S+ 0 0 1 -2,-0.5 3,-2.1 1,-0.3 4,-0.2 0.828 101.4 71.5 -55.4 -30.5 20.5 13.3 -17.9 216 110 2 E G > S+ 0 0 41 1,-0.3 3,-1.7 2,-0.2 -1,-0.3 0.728 79.0 77.9 -59.3 -20.6 22.5 10.1 -18.1 217 111 2 E G < S+ 0 0 95 -3,-2.6 -1,-0.3 1,-0.3 -2,-0.2 0.700 74.1 76.6 -63.9 -18.8 23.1 11.0 -21.8 218 112 2 I G < 0 0 11 -3,-2.1 -1,-0.3 1,-0.2 -2,-0.2 0.709 360.0 360.0 -66.3 -17.0 25.8 13.5 -20.7 219 113 2 N < 0 0 112 -3,-1.7 -1,-0.2 -4,-0.2 -2,-0.2 0.809 360.0 360.0 -82.9 360.0 28.1 10.5 -20.1