==== 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 OXIDOREDUCTASE 27-FEB-09 3GGG . COMPND 2 MOLECULE: PREPHENATE DEHYDROGENASE; . SOURCE 2 ORGANISM_SCIENTIFIC: AQUIFEX AEOLICUS; . AUTHOR W.SUN,D.SHAHINAS,D.CHRISTENDAT . 1151 6 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 48995.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 855 74.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 111 9.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 19 1.7 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 . 4 0.3 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 . 52 4.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 158 13.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 459 39.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 26 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 3 0 0 1 1 4 10 9 3 4 0 0 0 6 0 0 0 0 0 3 1 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 3 4 12 4 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 . 1 0 3 1 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 4 0 0 4 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 18 D M > 0 0 71 0, 0.0 3,-1.0 0, 0.0 1038,-0.1 0.000 360.0 360.0 360.0 -68.1 28.1 -55.3 -34.9 2 19 D K T 3 + 0 0 162 1,-0.2 3,-0.5 2,-0.1 0, 0.0 0.670 360.0 86.8 -70.4 -13.5 29.5 -53.0 -32.2 3 20 D N T > + 0 0 44 1,-0.3 3,-2.0 2,-0.1 -1,-0.2 0.600 56.8 101.9 -65.4 -14.2 27.3 -50.1 -33.5 4 21 D I T <> + 0 0 94 -3,-1.0 4,-1.4 1,-0.3 -1,-0.3 0.126 42.0 100.7 -65.2 18.2 24.4 -51.3 -31.3 5 22 D I H 3> S+ 0 0 94 -3,-0.5 4,-2.1 2,-0.2 -1,-0.3 0.857 80.9 62.8 -55.8 -33.8 25.2 -48.6 -28.8 6 23 D K H <> S+ 0 0 112 -3,-2.0 4,-1.9 2,-0.2 -2,-0.2 0.889 99.7 46.0 -60.4 -48.6 22.2 -47.3 -30.8 7 24 D I H > S+ 0 0 79 2,-0.2 4,-2.6 1,-0.2 5,-0.3 0.939 110.3 52.6 -63.5 -51.5 19.7 -50.1 -29.7 8 25 D L H X S+ 0 0 112 -4,-1.4 4,-1.6 1,-0.2 -1,-0.2 0.942 109.7 53.0 -44.2 -49.2 20.6 -49.9 -26.0 9 26 D K H < S+ 0 0 101 -4,-2.1 4,-0.5 1,-0.2 3,-0.3 0.910 109.7 45.2 -57.8 -46.0 19.9 -46.2 -26.3 10 27 D S H < S+ 0 0 80 -4,-1.9 3,-0.4 1,-0.2 -1,-0.2 0.855 117.3 45.2 -67.9 -33.6 16.5 -46.7 -27.8 11 28 D L H < S+ 0 0 96 -4,-2.6 -1,-0.2 1,-0.2 3,-0.2 0.619 95.2 77.5 -82.3 -17.5 15.6 -49.3 -25.2 12 29 D S S < S+ 0 0 53 -4,-1.6 2,-0.3 -3,-0.3 -1,-0.2 0.745 111.7 13.0 -67.4 -20.6 17.0 -47.3 -22.2 13 30 D M + 0 0 16 -4,-0.5 -1,-0.3 -3,-0.4 26,-0.2 -0.849 66.5 148.1-162.5 111.5 13.9 -45.0 -22.1 14 31 D Q + 0 0 99 1,-0.3 26,-2.5 -2,-0.3 2,-0.4 0.638 67.7 41.0-126.1 -28.1 10.6 -45.7 -24.0 15 32 D N E -a 40 0A 36 24,-0.2 61,-2.7 59,-0.1 62,-1.8 -0.950 68.2-169.4-135.1 113.1 7.7 -44.3 -22.0 16 33 D V E -ab 41 77A 0 24,-3.3 26,-3.6 -2,-0.4 2,-0.5 -0.835 6.3-156.3-111.6 136.3 8.2 -41.0 -20.5 17 34 D L E -ab 42 78A 0 60,-2.6 62,-3.1 -2,-0.4 2,-0.7 -0.978 3.5-156.1-115.1 122.4 5.9 -39.5 -18.0 18 35 D I E -ab 43 79A 0 24,-3.5 26,-2.5 -2,-0.5 2,-0.6 -0.874 10.0-162.0 -90.6 115.3 5.7 -35.8 -17.4 19 36 D V E S+ab 44 80A 1 60,-1.8 62,-2.5 -2,-0.7 26,-0.2 -0.915 76.2 23.4 -95.7 119.3 4.4 -35.1 -13.9 20 37 D G S S- 0 0 8 24,-3.3 2,-1.6 -2,-0.6 5,-0.3 0.835 77.3-149.0 87.9 85.4 3.2 -31.5 -13.8 21 38 D V + 0 0 0 23,-0.2 119,-0.6 -3,-0.1 33,-0.1 -0.536 55.0 112.5 -95.2 71.0 2.4 -30.5 -17.4 22 39 D G S > S- 0 0 18 -2,-1.6 4,-2.6 59,-0.2 5,-0.2 -0.121 86.3 -53.7-114.1-146.9 3.2 -26.8 -17.1 23 40 D F H > S+ 0 0 12 2,-0.2 4,-2.1 1,-0.2 121,-0.3 0.907 136.9 35.9 -63.7 -46.3 6.0 -24.6 -18.6 24 41 D M H > S+ 0 0 42 57,-0.3 4,-2.6 2,-0.2 -1,-0.2 0.892 118.5 49.4 -80.7 -46.7 8.9 -26.7 -17.4 25 42 D G H > S+ 0 0 0 56,-0.4 4,-2.7 -5,-0.3 -2,-0.2 0.913 117.0 43.5 -50.5 -48.9 7.2 -30.0 -17.9 26 43 D G H X S+ 0 0 0 -4,-2.6 4,-2.6 2,-0.2 -2,-0.2 0.858 110.8 53.0 -71.8 -34.0 6.2 -28.9 -21.4 27 44 D S H X S+ 0 0 0 -4,-2.1 4,-3.0 -5,-0.2 5,-0.2 0.931 112.3 47.4 -65.9 -42.0 9.6 -27.4 -22.3 28 45 D F H X S+ 0 0 0 -4,-2.6 4,-3.4 2,-0.2 -2,-0.2 0.970 112.4 48.4 -61.7 -50.7 11.2 -30.7 -21.2 29 46 D A H X S+ 0 0 0 -4,-2.7 4,-2.3 1,-0.2 -2,-0.2 0.902 116.1 44.7 -52.4 -46.5 8.6 -32.7 -23.3 30 47 D K H X S+ 0 0 66 -4,-2.6 4,-2.8 2,-0.2 -1,-0.2 0.895 114.0 47.1 -67.2 -47.4 9.3 -30.5 -26.3 31 48 D S H X S+ 0 0 3 -4,-3.0 4,-1.4 113,-0.3 -2,-0.2 0.881 110.6 54.1 -62.5 -42.0 13.0 -30.4 -26.0 32 49 D L H <>S+ 0 0 2 -4,-3.4 5,-1.4 -5,-0.2 3,-0.4 0.954 112.1 43.7 -52.1 -55.7 13.0 -34.2 -25.5 33 50 D R H ><5S+ 0 0 72 -4,-2.3 3,-2.2 -5,-0.2 4,-0.4 0.950 111.0 54.9 -53.9 -51.0 11.0 -34.6 -28.8 34 51 D R H 3<5S+ 0 0 127 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.743 98.8 62.3 -59.8 -26.9 13.3 -32.0 -30.6 35 52 D S T 3<5S- 0 0 48 -4,-1.4 -1,-0.3 -3,-0.4 -2,-0.2 0.291 128.6 -98.0 -78.4 10.6 16.4 -34.1 -29.7 36 53 D G T < 5 + 0 0 43 -3,-2.2 2,-0.4 1,-0.2 -3,-0.2 0.756 63.4 166.0 81.1 25.8 14.9 -36.9 -31.8 37 54 D F < - 0 0 23 -5,-1.4 -1,-0.2 -4,-0.4 -23,-0.0 -0.656 14.3-172.9 -76.1 126.7 13.2 -39.0 -29.0 38 55 D K + 0 0 184 -2,-0.4 -1,-0.1 2,-0.1 3,-0.1 0.436 48.6 89.8-105.8 -3.0 10.8 -41.5 -30.7 39 56 D G S S- 0 0 22 -26,-0.2 2,-0.4 1,-0.2 -24,-0.2 0.103 85.0 -64.8 -83.1-162.6 9.0 -43.1 -27.7 40 57 D K E -a 15 0A 99 -26,-2.5 -24,-3.3 33,-0.1 2,-0.6 -0.685 35.0-161.4 -91.2 136.0 5.9 -42.1 -25.8 41 58 D I E -a 16 0A 0 -2,-0.4 20,-2.9 -26,-0.2 21,-0.8 -0.949 15.6-177.4-114.3 115.5 5.5 -39.0 -23.9 42 59 D Y E -ac 17 62A 23 -26,-3.6 -24,-3.5 -2,-0.6 2,-0.4 -0.733 11.9-144.5-104.7 154.3 2.6 -39.1 -21.4 43 60 D G E -ac 18 63A 0 19,-1.8 21,-1.8 -2,-0.3 2,-0.4 -0.919 11.1-172.1-119.2 145.8 1.3 -36.4 -19.0 44 61 D Y E +ac 19 64A 24 -26,-2.5 -24,-3.3 -2,-0.4 2,-0.3 -0.990 22.5 146.8-134.1 132.7 -0.1 -36.4 -15.5 45 62 D D - 0 0 20 19,-2.0 6,-0.0 -2,-0.4 -2,-0.0 -0.985 51.3-130.2-156.0 152.0 -1.5 -33.3 -13.9 46 63 D I S S+ 0 0 146 -2,-0.3 19,-0.1 1,-0.1 -1,-0.1 0.665 97.2 74.1 -79.2 -15.2 -4.3 -32.4 -11.5 47 64 D N >> - 0 0 73 1,-0.1 4,-1.4 17,-0.1 3,-0.8 -0.886 68.7-159.8-102.4 112.9 -5.6 -29.9 -14.0 48 65 D P H 3> S+ 0 0 76 0, 0.0 4,-2.3 0, 0.0 -1,-0.1 0.628 92.6 61.5 -63.7 -15.9 -7.3 -31.5 -17.0 49 66 D E H 3> S+ 0 0 118 2,-0.2 4,-3.1 3,-0.2 5,-0.2 0.830 97.9 55.4 -78.7 -34.4 -6.7 -28.3 -19.0 50 67 D S H <> S+ 0 0 21 -3,-0.8 4,-1.9 2,-0.2 5,-0.1 0.926 113.6 41.9 -56.9 -52.0 -3.0 -28.7 -18.6 51 68 D I H X S+ 0 0 19 -4,-1.4 4,-2.5 2,-0.2 -2,-0.2 0.936 114.5 52.2 -58.4 -49.8 -3.4 -32.2 -20.2 52 69 D S H X S+ 0 0 67 -4,-2.3 4,-1.8 1,-0.2 -2,-0.2 0.912 112.7 43.6 -53.8 -52.0 -6.0 -30.8 -22.8 53 70 D K H X S+ 0 0 75 -4,-3.1 4,-1.7 1,-0.2 6,-0.2 0.887 113.8 51.2 -62.0 -42.5 -3.6 -28.0 -24.0 54 71 D A H <>S+ 0 0 0 -4,-1.9 5,-2.5 -5,-0.2 6,-1.2 0.870 109.2 50.0 -68.2 -39.0 -0.5 -30.3 -24.1 55 72 D V H ><5S+ 0 0 60 -4,-2.5 3,-1.4 4,-0.2 -2,-0.2 0.962 114.0 43.0 -64.1 -49.7 -2.2 -33.0 -26.2 56 73 D D H 3<5S+ 0 0 128 -4,-1.8 -2,-0.2 1,-0.3 -1,-0.2 0.760 111.2 54.8 -71.0 -26.9 -3.6 -30.6 -28.9 57 74 D L T 3<5S- 0 0 104 -4,-1.7 -1,-0.3 -5,-0.2 -2,-0.2 0.528 115.3-120.2 -73.8 -8.6 -0.3 -28.7 -29.0 58 75 D G T < 5S+ 0 0 44 -3,-1.4 -3,-0.2 -4,-0.4 -2,-0.1 0.631 78.9 124.2 77.2 18.0 1.4 -32.1 -29.7 59 76 D I S > - 0 0 52 1,-0.1 3,-1.6 2,-0.0 4,-0.7 -0.885 66.6-153.3 -92.6 117.8 -6.2 -39.9 -12.1 67 84 D I G >4 S+ 0 0 35 -2,-0.6 3,-1.2 1,-0.3 4,-0.4 0.881 94.9 58.2 -58.1 -42.7 -2.9 -41.1 -10.5 68 85 D A G 34 S+ 0 0 72 1,-0.2 3,-0.3 2,-0.2 -1,-0.3 0.645 97.4 60.7 -61.4 -20.3 -4.1 -44.7 -10.7 69 86 D K G X4 S+ 0 0 127 -3,-1.6 3,-1.9 1,-0.2 4,-0.5 0.715 84.2 80.5 -77.1 -17.5 -4.5 -44.4 -14.6 70 87 D V G X< S+ 0 0 0 -3,-1.2 3,-3.0 -4,-0.7 -1,-0.2 0.884 79.0 68.5 -54.0 -43.3 -0.8 -43.6 -14.9 71 88 D E G > S+ 0 0 125 -4,-0.4 3,-1.3 1,-0.3 -1,-0.3 0.641 88.0 64.4 -42.8 -35.5 -0.1 -47.4 -14.6 72 89 D D G < S+ 0 0 123 -3,-1.9 -1,-0.3 1,-0.2 -2,-0.2 0.749 98.4 56.9 -63.0 -26.4 -1.6 -48.0 -18.0 73 90 D F G < S- 0 0 16 -3,-3.0 -1,-0.2 -4,-0.5 -2,-0.2 0.344 90.1-154.0 -84.8 5.5 1.3 -45.8 -19.3 74 91 D S < - 0 0 85 -3,-1.3 -3,-0.1 1,-0.1 -59,-0.1 0.742 20.1-163.0 9.3 65.6 3.9 -48.2 -17.9 75 92 D P - 0 0 7 0, 0.0 24,-0.5 0, 0.0 -59,-0.2 -0.361 24.8-177.2 -63.4 145.6 6.4 -45.2 -17.7 76 93 D D S S+ 0 0 31 -61,-2.7 27,-3.1 1,-0.3 2,-0.4 0.362 76.1 45.4-116.3 -7.3 10.1 -46.2 -17.3 77 94 D F E -bd 16 103A 0 -62,-1.8 -60,-2.6 25,-0.2 2,-0.5 -0.983 68.3-173.9-139.8 122.9 11.2 -42.6 -17.1 78 95 D V E -bd 17 104A 0 25,-2.9 27,-2.6 -2,-0.4 2,-0.6 -0.965 11.0-163.1-124.5 131.7 9.5 -39.9 -15.1 79 96 D M E -bd 18 105A 0 -62,-3.1 -60,-1.8 -2,-0.5 2,-0.5 -0.894 16.3-146.6-113.5 104.4 10.3 -36.2 -15.0 80 97 D L E +bd 19 106A 0 25,-3.1 27,-1.7 -2,-0.6 28,-0.2 -0.510 35.7 152.7 -72.0 121.8 8.8 -34.5 -11.9 81 98 D S + 0 0 18 -62,-2.5 -56,-0.4 -2,-0.5 -57,-0.3 0.228 33.6 103.7-142.4 9.1 7.8 -31.0 -12.9 82 99 D S S S- 0 0 22 1,-0.2 25,-0.2 -63,-0.2 2,-0.1 -0.201 93.2 -61.3 -72.6-179.2 5.0 -30.1 -10.6 83 100 D P > - 0 0 80 0, 0.0 3,-2.2 0, 0.0 4,-0.5 -0.464 53.2-115.9 -63.1 145.4 5.7 -27.6 -7.7 84 101 D V G > S+ 0 0 13 1,-0.3 3,-0.9 2,-0.2 4,-0.5 0.732 111.9 68.4 -56.9 -26.8 8.3 -29.2 -5.3 85 102 D R G 3 S+ 0 0 90 1,-0.2 4,-0.4 2,-0.1 -1,-0.3 0.755 99.2 51.4 -62.9 -23.8 5.8 -29.3 -2.5 86 103 D T G <> S+ 0 0 39 -3,-2.2 4,-2.3 1,-0.2 5,-0.3 0.688 87.2 86.8 -79.2 -17.5 3.9 -32.0 -4.4 87 104 D F H <> S+ 0 0 1 -3,-0.9 4,-2.5 -4,-0.5 5,-0.2 0.827 85.3 49.1 -63.4 -41.9 6.9 -34.2 -5.0 88 105 D R H > S+ 0 0 67 -4,-0.5 4,-2.1 -3,-0.2 -1,-0.2 0.959 114.1 44.7 -61.2 -50.3 6.8 -36.3 -1.8 89 106 D E H > S+ 0 0 98 -4,-0.4 4,-1.5 1,-0.2 3,-0.3 0.949 117.4 45.0 -59.5 -51.2 3.0 -37.2 -2.0 90 107 D I H X S+ 0 0 19 -4,-2.3 4,-2.2 1,-0.2 -1,-0.2 0.911 110.5 53.3 -62.5 -40.7 3.2 -38.0 -5.8 91 108 D A H X S+ 0 0 0 -4,-2.5 4,-1.8 -5,-0.3 -1,-0.2 0.866 103.7 58.8 -65.3 -31.2 6.4 -40.0 -5.3 92 109 D K H < S+ 0 0 116 -4,-2.1 4,-0.4 -3,-0.3 -1,-0.2 0.905 111.2 41.4 -57.5 -43.9 4.5 -42.0 -2.6 93 110 D K H X S+ 0 0 93 -4,-1.5 4,-1.0 -3,-0.2 3,-0.4 0.760 112.6 52.3 -80.2 -27.8 2.0 -42.9 -5.2 94 111 D L H X S+ 0 0 0 -4,-2.2 4,-3.0 1,-0.2 -1,-0.2 0.838 92.1 76.9 -73.5 -28.5 4.5 -43.6 -8.0 95 112 D S H < S+ 0 0 22 -4,-1.8 -1,-0.2 1,-0.3 -2,-0.2 0.720 104.1 34.8 -59.9 -26.3 6.4 -46.0 -5.8 96 113 D Y H 4 S+ 0 0 208 -3,-0.4 -1,-0.3 -4,-0.4 -2,-0.2 0.842 118.0 49.8 -91.4 -42.1 3.8 -48.7 -6.2 97 114 D I H < S+ 0 0 38 -4,-1.0 -2,-0.2 2,-0.1 -3,-0.1 0.922 97.1 82.7 -63.4 -45.7 2.8 -48.0 -9.9 98 115 D L S < S- 0 0 9 -4,-3.0 -22,-0.1 1,-0.1 -27,-0.0 -0.354 81.0-119.6 -71.6 136.1 6.4 -47.9 -11.2 99 116 D S > - 0 0 63 -24,-0.5 3,-2.2 1,-0.1 -1,-0.1 -0.320 31.1-108.0 -62.5 152.6 8.4 -51.0 -12.1 100 117 D E T 3 S+ 0 0 159 1,-0.3 24,-0.1 3,-0.0 -1,-0.1 0.694 120.6 58.2 -49.9 -24.5 11.7 -51.6 -10.2 101 118 D D T 3 S+ 0 0 134 2,-0.1 -1,-0.3 24,-0.0 2,-0.1 0.355 81.3 112.8 -93.5 3.1 13.4 -50.6 -13.5 102 119 D A < - 0 0 0 -3,-2.2 2,-0.5 -27,-0.1 -25,-0.2 -0.414 57.9-142.4 -73.0 151.5 11.8 -47.1 -13.8 103 120 D T E -d 77 0A 7 -27,-3.1 -25,-2.9 -2,-0.1 2,-0.4 -0.976 13.7-166.9-112.3 130.7 13.9 -44.0 -13.5 104 121 D V E +de 78 126A 0 21,-3.4 23,-2.7 -2,-0.5 2,-0.3 -0.940 16.9 156.7-113.1 134.7 12.5 -40.9 -11.7 105 122 D T E -de 79 127A 0 -27,-2.6 -25,-3.1 -2,-0.4 2,-0.3 -0.841 19.0-151.3-144.6 180.0 14.2 -37.5 -11.8 106 123 D D E -d 80 0A 0 21,-0.6 -25,-0.2 -2,-0.3 -27,-0.0 -0.894 25.3-141.0-151.7 172.6 13.0 -33.9 -11.4 107 124 D Q + 0 0 14 -27,-1.7 23,-0.1 -2,-0.3 -26,-0.1 -0.032 49.5 152.5-124.3 22.1 13.5 -30.2 -12.3 108 125 D G - 0 0 4 21,-0.3 -2,-0.1 -28,-0.2 -27,-0.0 -0.282 48.5-137.4 -70.3 144.0 12.8 -28.9 -8.8 109 126 D S S S+ 0 0 30 21,-0.1 2,-0.3 2,-0.1 -1,-0.1 0.615 88.6 50.6 -77.2 -10.3 14.4 -25.7 -7.9 110 127 D V + 0 0 0 1,-0.1 19,-0.1 19,-0.1 -2,-0.1 -0.878 56.4 168.6-122.1 155.7 15.4 -27.0 -4.3 111 128 D K > + 0 0 1 -2,-0.3 3,-1.5 74,-0.3 4,-0.3 0.235 37.5 98.7-128.4-102.3 17.3 -30.3 -3.5 112 129 D G T >> S+ 0 0 5 73,-1.1 3,-1.5 1,-0.3 4,-1.0 -0.103 101.6 0.9 58.0-140.2 18.6 -30.9 -0.0 113 130 D K H 3> S+ 0 0 128 1,-0.3 4,-2.8 135,-0.2 -1,-0.3 0.797 125.1 70.4 -56.6 -29.3 16.4 -33.0 2.3 114 131 D L H <> S+ 0 0 0 -3,-1.5 4,-2.5 2,-0.2 -1,-0.3 0.860 95.6 52.1 -56.1 -38.5 13.9 -33.4 -0.6 115 132 D V H <> S+ 0 0 1 -3,-1.5 4,-2.6 -4,-0.3 -1,-0.2 0.960 111.4 45.9 -66.3 -47.4 16.4 -35.6 -2.5 116 133 D Y H X S+ 0 0 52 -4,-1.0 4,-2.2 1,-0.2 -2,-0.2 0.881 114.0 49.0 -59.2 -42.8 16.9 -37.9 0.6 117 134 D D H 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V H X S+ 0 0 2 -4,-2.6 4,-1.2 -5,-0.2 -1,-0.2 0.948 110.3 45.2 -58.8 -45.1 18.0 23.9 -20.6 753 190 B W H <>S+ 0 0 2 -4,-2.4 5,-3.0 2,-0.2 3,-0.4 0.907 113.8 48.3 -65.6 -41.4 17.0 20.5 -19.1 754 191 B E H ><5S+ 0 0 65 -4,-2.5 3,-1.5 1,-0.2 -1,-0.2 0.882 106.6 58.9 -65.8 -36.3 13.7 20.5 -21.1 755 192 B D H 3<5S+ 0 0 54 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.804 107.0 46.6 -59.1 -31.5 15.8 21.4 -24.2 756 193 B V T 3<5S- 0 0 5 -4,-1.2 -1,-0.3 -3,-0.4 -28,-0.2 0.281 131.9 -90.9 -94.5 8.5 17.8 18.2 -23.7 757 194 B G T < 5S+ 0 0 14 -3,-1.5 -27,-2.6 1,-0.2 -26,-0.3 0.381 79.5 138.2 107.3 -6.1 14.8 16.1 -23.2 758 195 B G < - 0 0 6 -5,-3.0 2,-0.5 -6,-0.2 -1,-0.2 -0.205 47.0-138.6 -78.7 164.2 14.3 16.2 -19.4 759 196 B V E -v 732 0G 90 -28,-2.1 -26,-2.1 -31,-0.1 2,-0.2 -0.957 27.6-144.8-122.8 109.5 11.0 16.6 -17.5 760 197 B V E +v 733 0G 21 -2,-0.5 2,-0.3 -28,-0.2 -26,-0.2 -0.487 27.2 161.5 -87.7 140.2 11.5 19.0 -14.6 761 198 B E E -v 734 0G 53 -28,-1.9 -26,-2.7 -2,-0.2 2,-0.3 -0.940 28.8-123.7-139.2 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1028 181 C K H > S+ 0 0 171 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.879 110.3 49.3 -68.6 -37.4 20.4 -70.9 -46.0 1029 182 C R H > S+ 0 0 23 2,-0.2 4,-3.0 1,-0.2 5,-0.2 0.902 106.4 55.0 -71.9 -36.7 21.7 -68.4 -48.4 1030 183 C L H X S+ 0 0 10 -4,-1.9 4,-2.6 1,-0.2 -1,-0.2 0.896 109.1 49.6 -59.6 -44.2 19.4 -65.7 -47.2 1031 184 C K H X S+ 0 0 158 -4,-1.5 4,-2.4 2,-0.2 -1,-0.2 0.904 110.2 49.7 -57.6 -50.2 20.8 -66.3 -43.7 1032 185 C L H X S+ 0 0 38 -4,-2.2 4,-2.4 2,-0.2 -2,-0.2 0.953 114.0 45.2 -52.4 -49.7 24.3 -66.1 -45.0 1033 186 C V H X S+ 0 0 0 -4,-3.0 4,-2.4 2,-0.2 -2,-0.2 0.899 112.2 50.3 -68.2 -42.9 23.6 -62.8 -46.8 1034 187 C K H X S+ 0 0 68 -4,-2.6 4,-1.7 -5,-0.2 -1,-0.2 0.944 113.0 48.0 -55.0 -49.3 21.7 -61.3 -43.9 1035 188 C R H X S+ 0 0 140 -4,-2.4 4,-2.5 2,-0.2 -2,-0.2 0.852 108.4 53.6 -60.6 -43.9 24.6 -62.2 -41.6 1036 189 C V H X S+ 0 0 6 -4,-2.4 4,-1.2 1,-0.2 -1,-0.2 0.916 109.3 48.3 -64.5 -40.4 27.2 -60.8 -43.9 1037 190 C W H <>S+ 0 0 1 -4,-2.4 5,-3.2 2,-0.2 -2,-0.2 0.838 110.8 51.3 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210 C G H <>S+ 0 0 0 -4,-1.3 5,-2.2 -5,-0.3 -1,-0.2 0.899 115.9 34.5 -63.8 -37.3 10.9 -45.5 -56.9 1058 211 C V H <5S+ 0 0 2 -4,-1.6 -2,-0.2 3,-0.2 -1,-0.2 0.921 125.4 36.1 -78.9 -49.7 9.2 -42.9 -54.7 1059 212 C V H <5S+ 0 0 0 -4,-2.6 -545,-0.3 -5,-0.2 -547,-0.2 0.540 137.1 10.6 -91.5 -3.9 11.7 -42.2 -51.9 1060 213 C S T X5S+ 0 0 0 -4,-1.5 4,-1.6 -5,-0.2 -3,-0.2 0.602 125.8 46.8-137.6 -53.1 14.9 -42.4 -53.9 1061 214 C H H > S+ 0 0 0 0, 0.0 4,-2.2 0, 0.0 -1,-0.2 0.844 110.3 50.7 -54.6 -36.0 14.1 -37.3 -55.6 1064 217 C H H X S+ 0 0 0 -4,-1.6 4,-2.6 2,-0.2 -2,-0.2 0.952 111.0 47.4 -64.9 -49.6 17.0 -38.0 -57.9 1065 218 C A H X S+ 0 0 0 -4,-2.2 4,-2.5 1,-0.2 5,-0.2 0.909 112.7 49.4 -51.3 -50.1 14.9 -37.2 -61.0 1066 219 C V H X S+ 0 0 0 -4,-3.0 4,-1.4 1,-0.2 -1,-0.2 0.880 111.9 48.3 -59.3 -41.8 13.6 -34.1 -59.3 1067 220 C A H X S+ 0 0 0 -4,-2.2 4,-2.1 -5,-0.2 -2,-0.2 0.905 111.8 49.8 -67.5 -42.9 17.2 -33.0 -58.4 1068 221 C F H X S+ 0 0 0 -4,-2.6 4,-2.3 1,-0.2 -2,-0.2 0.930 111.9 47.0 -57.9 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-3,-0.0 -0.435 61.4-178.0 -74.4 160.8 19.7 -18.8 -67.7 1079 232 C T - 0 0 48 3,-2.3 3,-0.2 -2,-0.1 -2,-0.1 -0.911 47.7 -83.8-149.6 173.9 19.9 -16.3 -70.6 1080 233 C P S S+ 0 0 147 0, 0.0 3,-0.1 0, 0.0 -2,-0.0 0.740 130.8 52.6 -54.1 -27.7 22.3 -13.8 -72.3 1081 234 C E S S+ 0 0 152 1,-0.2 2,-0.4 -3,-0.0 -3,-0.1 0.883 120.2 14.4 -72.3 -40.8 21.2 -11.5 -69.5 1082 235 C V - 0 0 10 -3,-0.2 -3,-2.3 -5,-0.1 2,-0.8 -0.978 51.1-146.7-152.6 134.2 21.9 -13.8 -66.5 1083 236 C D > - 0 0 75 -2,-0.4 3,-2.0 -5,-0.2 4,-0.2 -0.831 15.3-163.3 -95.1 104.0 23.8 -17.0 -65.4 1084 237 C L G > S+ 0 0 0 -2,-0.8 3,-2.3 -10,-0.4 -1,-0.2 0.811 82.2 72.2 -62.4 -25.8 21.6 -18.6 -62.7 1085 238 C F G 3 S+ 0 0 22 1,-0.3 -1,-0.3 -11,-0.2 -10,-0.0 0.598 85.5 68.1 -67.8 -10.7 24.6 -20.8 -61.6 1086 239 C K G < S+ 0 0 153 -3,-2.0 -1,-0.3 1,-0.1 -2,-0.2 0.596 99.2 52.3 -74.1 -9.5 26.2 -17.8 -60.1 1087 240 C Y < + 0 0 23 -3,-2.3 -2,-0.2 -4,-0.2 -1,-0.1 0.844 61.3 127.1-108.1 -31.4 23.6 -17.4 -57.4 1088 241 C P - 0 0 30 0, 0.0 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47.5 -51.7 -48.3 20.1 -44.1 -66.6 1108 261 C D H X S+ 0 0 2 -4,-2.0 4,-2.3 -5,-0.2 5,-0.2 0.887 112.0 48.4 -61.8 -45.1 20.1 -47.8 -65.7 1109 262 C I H X S+ 0 0 2 -4,-1.7 4,-2.2 -5,-0.2 -2,-0.2 0.955 112.9 48.8 -57.5 -47.1 18.0 -47.2 -62.5 1110 263 C F H < S+ 0 0 0 -4,-3.1 -2,-0.2 1,-0.2 -1,-0.2 0.860 116.4 40.8 -64.1 -36.1 15.5 -45.1 -64.4 1111 264 C L H >< S+ 0 0 8 -4,-1.9 3,-1.1 -5,-0.2 -1,-0.2 0.893 116.3 48.2 -81.9 -39.3 15.0 -47.6 -67.3 1112 265 C E H 3< S+ 0 0 41 -4,-2.3 3,-0.2 1,-0.3 -2,-0.2 0.817 120.7 37.4 -67.3 -35.7 15.0 -50.7 -65.1 1113 266 C N T 3X S+ 0 0 4 -4,-2.2 4,-2.9 -5,-0.2 -1,-0.3 -0.143 82.2 135.6-108.4 35.4 12.5 -49.2 -62.7 1114 267 C K H <> + 0 0 73 -3,-1.1 4,-2.6 1,-0.2 -1,-0.2 0.847 65.6 48.7 -52.7 -53.6 10.5 -47.5 -65.5 1115 268 C E H > S+ 0 0 136 -3,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.938 118.5 39.5 -60.8 -49.3 6.9 -48.3 -64.4 1116 269 C N H > S+ 0 0 24 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.913 113.0 54.3 -70.1 -40.0 7.4 -47.2 -60.8 1117 270 C V H X S+ 0 0 0 -4,-2.9 4,-2.7 1,-0.2 5,-0.2 0.952 110.5 49.1 -56.1 -42.1 9.6 -44.2 -61.6 1118 271 C M H X S+ 0 0 36 -4,-2.6 4,-2.4 -5,-0.2 -2,-0.2 0.950 110.6 47.7 -63.8 -51.9 6.7 -43.1 -63.9 1119 272 C K H X S+ 0 0 103 -4,-2.3 4,-2.0 2,-0.2 -1,-0.2 0.857 113.5 50.5 -52.4 -37.2 4.0 -43.6 -61.2 1120 273 C A H X S+ 0 0 0 -4,-2.5 4,-2.9 2,-0.2 -2,-0.2 0.972 109.0 48.5 -71.3 -50.4 6.2 -41.7 -58.8 1121 274 C I H X S+ 0 0 0 -4,-2.7 4,-2.8 1,-0.2 5,-0.2 0.919 113.4 48.8 -53.5 -45.9 6.8 -38.7 -61.1 1122 275 C E H X S+ 0 0 103 -4,-2.4 4,-1.6 2,-0.2 -1,-0.2 0.876 108.4 52.7 -66.9 -33.8 3.1 -38.5 -61.8 1123 276 C G H X S+ 0 0 8 -4,-2.0 4,-2.0 -5,-0.2 -2,-0.2 0.933 111.8 48.2 -58.2 -46.8 2.4 -38.6 -58.1 1124 277 C F H X S+ 0 0 0 -4,-2.9 4,-3.0 1,-0.2 -2,-0.2 0.920 106.6 54.3 -57.6 -48.8 4.8 -35.7 -57.7 1125 278 C E H X S+ 0 0 43 -4,-2.8 4,-2.4 1,-0.2 -1,-0.2 0.844 107.1 53.5 -57.6 -34.1 3.2 -33.7 -60.5 1126 279 C K H X S+ 0 0 137 -4,-1.6 4,-2.2 2,-0.2 -1,-0.2 0.952 110.2 45.4 -65.4 -48.4 -0.0 -34.1 -58.7 1127 280 C S H X S+ 0 0 4 -4,-2.0 4,-1.8 1,-0.2 -2,-0.2 0.909 115.4 48.3 -61.9 -40.1 1.5 -32.7 -55.5 1128 281 C L H X S+ 0 0 1 -4,-3.0 4,-2.8 2,-0.2 -1,-0.2 0.884 109.4 50.6 -68.0 -41.4 3.1 -29.9 -57.4 1129 282 C N H X S+ 0 0 72 -4,-2.4 4,-2.8 1,-0.2 5,-0.2 0.925 109.3 51.9 -66.4 -40.6 0.0 -28.9 -59.4 1130 283 C H H X S+ 0 0 76 -4,-2.2 4,-2.2 -5,-0.2 -1,-0.2 0.927 109.5 50.7 -57.4 -43.5 -1.9 -28.7 -56.2 1131 284 C L H X S+ 0 0 0 -4,-1.8 4,-1.8 2,-0.2 -2,-0.2 0.952 111.2 46.7 -60.2 -49.8 0.8 -26.5 -54.8 1132 285 C K H X S+ 0 0 45 -4,-2.8 4,-3.3 1,-0.2 -1,-0.2 0.862 107.6 57.1 -63.9 -32.4 0.7 -24.1 -57.8 1133 286 C E H X S+ 0 0 96 -4,-2.8 4,-2.2 1,-0.2 -1,-0.2 0.928 106.5 49.9 -61.0 -43.7 -3.1 -24.0 -57.6 1134 287 C L H X>S+ 0 0 4 -4,-2.2 5,-1.8 -5,-0.2 4,-0.5 0.871 113.4 46.7 -62.9 -34.4 -2.8 -22.8 -54.0 1135 288 C I H ><5S+ 0 0 0 -4,-1.8 3,-1.2 3,-0.2 -2,-0.2 0.969 111.3 50.0 -69.7 -55.4 -0.3 -20.1 -55.2 1136 289 C V H 3<5S+ 0 0 76 -4,-3.3 -2,-0.2 1,-0.3 -3,-0.2 0.912 116.9 40.2 -47.9 -52.7 -2.4 -19.0 -58.2 1137 290 C R H 3<5S- 0 0 177 -4,-2.2 -1,-0.3 -5,-0.2 -2,-0.2 0.585 104.2-129.0 -77.2 -10.7 -5.6 -18.5 -56.2 1138 291 C E T <<5 + 0 0 90 -3,-1.2 2,-2.0 -4,-0.5 -3,-0.2 0.913 36.6 177.9 58.3 43.2 -3.8 -17.0 -53.2 1139 292 C A >< - 0 0 22 -5,-1.8 4,-2.7 -6,-0.2 5,-0.2 -0.544 3.8-177.7 -77.1 78.8 -5.5 -19.5 -50.9 1140 293 C E H > S+ 0 0 93 -2,-2.0 4,-1.6 1,-0.2 -1,-0.2 0.804 72.9 43.5 -54.6 -43.3 -3.7 -18.2 -47.9 1141 294 C E H > S+ 0 0 155 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.942 117.8 44.9 -69.8 -45.9 -5.0 -20.6 -45.2 1142 295 C E H > S+ 0 0 121 2,-0.2 4,-2.1 1,-0.2 -2,-0.2 0.807 108.7 55.9 -72.4 -32.2 -4.7 -23.7 -47.4 1143 296 C L H X S+ 0 0 0 -4,-2.7 4,-2.6 2,-0.2 5,-0.2 0.954 108.0 48.3 -65.4 -47.5 -1.2 -22.9 -48.6 1144 297 C V H X S+ 0 0 12 -4,-1.6 4,-2.9 -5,-0.2 -2,-0.2 0.954 111.0 50.9 -60.3 -43.9 0.2 -22.6 -45.1 1145 298 C E H < S+ 0 0 98 -4,-2.0 4,-0.4 1,-0.2 -1,-0.2 0.900 110.4 49.8 -58.2 -40.8 -1.5 -26.0 -44.2 1146 299 C Y H >< S+ 0 0 7 -4,-2.1 3,-1.1 1,-0.2 -1,-0.2 0.922 113.6 45.2 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-41.4 -52.9