==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=21-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LYASE 18-MAY-05 1ZQ1 . COMPND 2 MOLECULE: GLUTAMYL-TRNA(GLN) AMIDOTRANSFERASE SUBUNIT D; . SOURCE 2 ORGANISM_SCIENTIFIC: PYROCOCCUS ABYSSI; . AUTHOR E.SCHMITT,M.PANVERT,S.BLANQUET,Y.MECHULAM . 1892 6 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 74315.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1336 70.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 103 5.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 310 16.4 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 6 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 11 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 7 0.4 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 . 5 0.3 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 . 182 9.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 191 10.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 440 23.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 37 2.0 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 4 14 8 3 2 6 1 0 0 1 3 0 0 2 0 0 0 0 1 1 0 0 0 0 RESIDUES PER ALPHA HELIX . 3 3 4 3 6 3 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 . 17 15 16 4 11 7 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 . 10 4 5 0 0 1 3 1 1 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 2 A R > 0 0 97 0, 0.0 4,-0.5 0, 0.0 43,-0.1 0.000 360.0 360.0 360.0 -18.1 -5.6 -42.2 28.2 2 3 A V H > + 0 0 15 41,-0.2 4,-2.7 2,-0.1 5,-0.3 0.727 360.0 68.6-103.4 -31.3 -8.8 -40.2 28.0 3 4 A D H > S+ 0 0 89 2,-0.2 4,-1.7 1,-0.2 5,-0.1 0.970 111.5 33.9 -53.3 -56.3 -10.4 -41.7 24.9 4 5 A E H > S+ 0 0 134 1,-0.2 4,-3.6 2,-0.2 5,-0.2 0.969 114.0 58.2 -63.7 -55.0 -10.9 -45.0 26.6 5 6 A F H X S+ 0 0 36 -4,-0.5 4,-1.8 1,-0.2 -1,-0.2 0.850 106.8 49.7 -41.8 -46.9 -11.6 -43.6 30.1 6 7 A L H <>S+ 0 0 21 -4,-2.7 5,-0.7 1,-0.2 3,-0.3 0.962 114.7 43.1 -59.1 -52.2 -14.5 -41.6 28.7 7 8 A K H ><5S+ 0 0 137 -4,-1.7 3,-2.2 -5,-0.3 -2,-0.2 0.871 107.0 63.5 -60.8 -39.4 -15.9 -44.7 27.0 8 9 A E H 3<5S+ 0 0 147 -4,-3.6 -1,-0.2 1,-0.3 -2,-0.2 0.907 105.1 43.8 -50.9 -49.3 -15.2 -46.8 30.1 9 10 A R T 3<5S- 0 0 145 -4,-1.8 -1,-0.3 -3,-0.3 -2,-0.2 0.267 126.7-107.4 -82.4 13.1 -17.7 -44.7 32.1 10 11 A N T < 5 + 0 0 109 -3,-2.2 2,-0.3 1,-0.2 -3,-0.2 0.984 64.8 151.5 59.1 69.6 -20.0 -45.0 29.1 11 12 A I < - 0 0 21 -5,-0.7 2,-0.4 60,-0.0 -1,-0.2 -0.939 32.3-148.0-128.9 151.0 -19.9 -41.5 27.6 12 13 A N > - 0 0 81 -2,-0.3 3,-2.4 -6,-0.0 2,-0.2 -0.935 31.6-103.1-119.9 140.4 -20.4 -40.2 24.1 13 14 A V T 3 S+ 0 0 90 -2,-0.4 22,-0.2 1,-0.3 3,-0.1 -0.428 111.8 30.6 -60.3 120.9 -18.8 -37.2 22.5 14 15 A G T 3 S+ 0 0 29 20,-1.3 59,-0.4 1,-0.4 -1,-0.3 0.158 82.4 137.0 115.8 -18.6 -21.5 -34.5 22.5 15 16 A D < - 0 0 0 -3,-2.4 19,-2.0 57,-0.2 2,-0.6 -0.390 59.6-120.4 -63.7 135.8 -23.3 -35.6 25.6 16 17 A F E +AB 33 70A 17 54,-0.7 53,-1.6 17,-0.2 54,-1.3 -0.709 47.6 176.7 -79.7 120.3 -24.3 -32.7 27.8 17 18 A V E -AB 32 68A 0 15,-3.9 15,-1.3 -2,-0.6 2,-0.4 -0.739 36.1-139.5-127.1 168.7 -22.6 -33.3 31.2 18 19 A R E - B 0 67A 83 49,-2.4 49,-1.3 13,-0.2 2,-0.3 -0.888 26.8-169.1-129.7 101.8 -21.9 -32.0 34.7 19 20 A I E - B 0 66A 1 -2,-0.4 11,-2.7 11,-0.3 2,-0.4 -0.632 8.7-164.6 -93.6 147.8 -18.4 -32.6 35.9 20 21 A T E +CB 29 65A 9 45,-2.6 44,-2.5 -2,-0.3 45,-1.6 -0.990 19.6 167.4-127.5 134.9 -17.1 -32.0 39.4 21 22 A K E -CB 28 63A 0 7,-2.4 7,-3.1 -2,-0.4 2,-0.4 -0.961 31.3-113.7-146.8 164.1 -13.4 -31.9 40.0 22 23 A E E +C 27 0A 79 40,-2.0 2,-0.3 -2,-0.3 5,-0.2 -0.818 24.3 178.5-104.5 141.3 -10.8 -31.0 42.7 23 24 A E S S- 0 0 11 3,-1.9 -2,-0.0 -2,-0.4 39,-0.0 -0.895 75.7 -24.8-142.1 107.1 -8.3 -28.1 42.4 24 25 A D S S- 0 0 107 -2,-0.3 3,-0.1 1,-0.1 -1,-0.1 0.960 130.2 -43.9 53.6 52.6 -5.9 -27.4 45.3 25 26 A G S S+ 0 0 61 1,-0.1 2,-0.2 0, 0.0 -1,-0.1 0.971 118.0 80.4 53.8 84.8 -8.3 -29.1 47.7 26 27 A E S S- 0 0 83 2,-0.0 -3,-1.9 0, 0.0 2,-0.4 -0.701 77.8 -88.4 159.3 152.3 -11.8 -27.9 46.9 27 28 A E E -C 22 0A 121 -2,-0.2 2,-0.5 -5,-0.2 -5,-0.2 -0.660 28.0-171.4 -90.0 134.4 -14.6 -28.6 44.4 28 29 A V E -C 21 0A 2 -7,-3.1 -7,-2.4 -2,-0.4 2,-0.5 -0.978 12.5-155.8-118.9 128.5 -15.0 -27.0 41.0 29 30 A T E +C 20 0A 77 -2,-0.5 -9,-0.2 -9,-0.2 2,-0.2 -0.924 13.6 178.1-116.7 122.6 -18.2 -27.7 39.1 30 31 A Y - 0 0 9 -11,-2.7 -11,-0.3 -2,-0.5 2,-0.2 -0.639 12.7-164.2-111.2 169.4 -18.6 -27.5 35.3 31 32 A E + 0 0 67 -13,-0.2 20,-0.7 -2,-0.2 2,-0.3 -0.785 36.1 110.6-156.8 107.5 -21.5 -28.2 32.9 32 33 A G E -AD 17 50A 0 -15,-1.3 -15,-3.9 -2,-0.2 2,-0.6 -0.891 63.7 -73.3-159.7-170.0 -20.9 -28.6 29.2 33 34 A Y E -AD 16 49A 81 16,-2.7 16,-2.3 -2,-0.3 -17,-0.2 -0.892 49.7-113.8-104.8 123.1 -20.8 -30.8 26.1 34 35 A I E - D 0 48A 18 -19,-2.0 -20,-1.3 -2,-0.6 14,-0.2 -0.333 38.4-157.2 -57.4 121.8 -18.0 -33.3 25.8 35 36 A X - 0 0 31 12,-3.0 12,-0.5 -22,-0.2 -1,-0.1 -0.596 22.0 -90.3-101.1 162.5 -15.8 -32.3 22.8 36 37 A P - 0 0 79 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.263 52.5 -92.7 -67.0 156.4 -13.4 -34.3 20.7 37 38 A P - 0 0 81 0, 0.0 9,-0.1 0, 0.0 5,-0.1 -0.330 55.2 -75.7 -71.0 152.6 -9.7 -34.4 21.6 38 39 A Y > - 0 0 45 1,-0.2 2,-1.6 3,-0.1 3,-0.9 -0.219 52.2-107.0 -50.3 129.4 -7.1 -32.0 20.3 39 40 A E T 3 S+ 0 0 120 1,-0.2 -1,-0.2 -3,-0.1 778,-0.0 0.321 107.6 17.6 -44.1 8.1 -6.3 -32.9 16.7 40 41 A L T 3 S+ 0 0 28 -2,-1.6 -1,-0.2 1,-0.2 2,-0.2 0.043 99.1 81.6 179.1 63.0 -2.9 -34.3 17.8 41 42 A S < - 0 0 62 -3,-0.9 -1,-0.2 2,-0.0 -3,-0.1 -0.807 65.8-117.5-173.6 128.8 -2.1 -35.1 21.4 42 43 A A - 0 0 84 -2,-0.2 2,-0.5 1,-0.1 -4,-0.0 -0.366 47.2-126.5 -61.4 150.1 -2.7 -37.9 23.9 43 44 A G + 0 0 17 1,-0.1 -41,-0.2 -6,-0.0 -40,-0.1 -0.911 51.0 162.3-120.8 133.1 -4.8 -36.5 26.7 44 45 A D S S+ 0 0 82 -2,-0.5 16,-1.6 -43,-0.1 2,-0.3 -0.009 84.9 75.6-112.3 12.6 -4.5 -36.3 30.4 45 46 A T E S- E 0 59A 17 14,-0.3 2,-0.4 15,-0.1 14,-0.2 -0.959 70.9-149.5-132.4 146.5 -7.1 -33.7 29.6 46 47 A L E - E 0 58A 16 12,-3.1 12,-2.2 -2,-0.3 2,-0.5 -0.938 17.5-135.4-116.0 135.3 -10.8 -33.7 28.7 47 48 A V E + E 0 57A 6 -12,-0.5 -12,-3.0 -2,-0.4 2,-0.4 -0.806 24.9 178.2 -97.6 128.2 -12.4 -31.0 26.5 48 49 A L E -DE 34 56A 0 8,-2.6 8,-2.7 -2,-0.5 2,-0.5 -0.990 20.1-147.3-131.4 127.4 -15.7 -29.6 27.5 49 50 A K E -DE 33 55A 10 -16,-2.3 -16,-2.7 -2,-0.4 6,-0.2 -0.827 21.7-148.2 -94.3 126.5 -17.7 -26.9 25.8 50 51 A L E > -D 32 0A 17 4,-2.2 3,-2.0 -2,-0.5 2,-1.1 -0.317 34.8 -93.7 -86.4 172.3 -19.7 -24.8 28.3 51 52 A E T 3 S+ 0 0 123 -20,-0.7 -1,-0.1 1,-0.3 -19,-0.1 -0.086 124.5 67.3 -77.4 38.6 -23.1 -23.1 27.7 52 53 A N T 3 S- 0 0 74 -2,-1.1 -1,-0.3 2,-0.2 3,-0.1 0.460 112.4-117.6-123.6 -28.8 -20.9 -20.1 26.8 53 54 A G S < S+ 0 0 18 -3,-2.0 2,-0.2 1,-0.4 -2,-0.1 -0.074 74.6 132.6 107.0 -25.6 -19.5 -21.7 23.7 54 55 A Y - 0 0 15 -5,-0.1 -4,-2.2 1,-0.1 -1,-0.4 -0.351 55.4-133.1 -62.8 126.2 -16.1 -21.5 25.4 55 56 A N E -E 49 0A 11 -6,-0.2 937,-0.7 937,-0.2 957,-0.4 -0.665 26.8-169.7 -83.2 133.1 -14.1 -24.7 25.2 56 57 A I E -EF 48 991A 1 -8,-2.7 -8,-2.6 -2,-0.4 2,-0.4 -0.869 14.0-135.2-124.2 155.1 -12.4 -25.7 28.5 57 58 A G E -EF 47 990A 0 933,-1.3 932,-1.6 -2,-0.3 933,-1.2 -0.927 16.6-174.2-116.0 135.3 -9.8 -28.3 29.6 58 59 A I E -E 46 0A 0 -12,-2.2 -12,-3.1 -2,-0.4 2,-0.5 -0.977 24.2-127.2-127.9 136.9 -10.0 -30.6 32.5 59 60 A A E > -E 45 0A 3 -2,-0.4 3,-1.7 -14,-0.2 4,-0.4 -0.721 19.9-135.6 -84.5 124.0 -7.3 -33.0 33.8 60 61 A L G > S+ 0 0 30 -16,-1.6 3,-3.0 -2,-0.5 -1,-0.1 0.875 100.1 59.5 -41.2 -59.7 -8.7 -36.6 34.3 61 62 A E G 3 S+ 0 0 130 1,-0.3 -1,-0.3 -17,-0.2 -16,-0.1 0.762 103.5 54.6 -44.3 -32.4 -7.1 -37.2 37.7 62 63 A K G < S+ 0 0 9 -3,-1.7 -40,-2.0 -41,-0.1 2,-0.5 0.553 82.0 104.0 -83.5 -8.4 -9.0 -34.3 39.1 63 64 A I E < +B 21 0A 11 -3,-3.0 -42,-0.3 -4,-0.4 3,-0.1 -0.650 35.3 164.3 -77.7 119.6 -12.4 -35.5 37.9 64 65 A R E + 0 0 110 -44,-2.5 2,-0.3 -2,-0.5 -43,-0.2 0.722 69.0 16.1-105.9 -28.8 -14.4 -36.9 40.9 65 66 A R E +B 20 0A 147 -45,-1.6 -45,-2.6 2,-0.1 -1,-0.4 -0.977 54.8 178.3-147.3 130.5 -17.9 -37.0 39.4 66 67 A I E -B 19 0A 33 -2,-0.3 -47,-0.2 -47,-0.2 -3,-0.0 -0.532 16.2-178.6-134.6 69.4 -19.0 -36.8 35.8 67 68 A E E -B 18 0A 95 -49,-1.3 -49,-2.4 -2,-0.1 2,-0.6 -0.241 24.0-128.1 -67.2 154.9 -22.8 -37.1 35.6 68 69 A V E +B 17 0A 56 -51,-0.2 -51,-0.2 1,-0.2 3,-0.1 -0.921 28.2 172.3-109.7 114.8 -24.7 -37.1 32.3 69 70 A L E S+ 0 0 78 -53,-1.6 2,-0.3 -2,-0.6 -52,-0.2 0.962 70.8 3.4 -82.9 -65.5 -27.6 -34.6 32.0 70 71 A E E S-B 16 0A 78 -54,-1.3 -54,-0.7 3,-0.0 -1,-0.3 -0.770 79.3-130.3-115.6 164.3 -28.6 -34.8 28.4 71 72 A R - 0 0 97 -2,-0.3 2,-0.1 -56,-0.2 -56,-0.0 -0.705 45.2 -53.9-117.1 171.0 -27.2 -37.1 25.8 72 73 A A - 0 0 44 -2,-0.2 2,-1.5 1,-0.2 -57,-0.2 -0.140 45.5-158.7 -42.6 101.8 -25.8 -36.8 22.2 73 74 A K - 0 0 144 -59,-0.4 -1,-0.2 -2,-0.1 -59,-0.0 -0.247 21.2-177.5 -82.8 48.9 -28.6 -35.0 20.4 74 75 A V - 0 0 96 -2,-1.5 -3,-0.0 1,-0.1 -60,-0.0 -0.202 11.4-178.7 -49.6 136.9 -27.3 -36.3 17.0 75 76 A K - 0 0 101 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 -0.783 26.4 -34.7-140.2 178.0 -29.3 -35.0 14.1 76 77 A P - 0 0 111 0, 0.0 -2,-0.0 0, 0.0 0, 0.0 0.323 43.2-141.9 10.9 -93.1 -30.2 -34.7 10.4 77 78 A E - 0 0 138 2,-0.0 0, 0.0 0, 0.0 0, 0.0 0.789 31.4-145.6 97.1 65.3 -27.2 -34.7 8.0 78 79 A V - 0 0 63 850,-0.1 2,-0.3 1,-0.1 0, 0.0 -0.191 11.9-150.8 -64.4 152.4 -28.5 -32.1 5.6 79 80 A H - 0 0 143 850,-0.0 2,-0.3 2,-0.0 -1,-0.1 -0.902 2.9-148.8-128.7 157.6 -27.8 -32.3 1.9 80 81 A F - 0 0 48 -2,-0.3 2,-0.6 850,-0.0 39,-0.1 -0.867 31.6 -91.9-125.5 160.1 -27.4 -29.8 -1.0 81 82 A E - 0 0 109 -2,-0.3 39,-1.8 1,-0.2 40,-0.2 -0.582 29.8-151.7 -73.5 113.9 -28.1 -29.7 -4.7 82 83 A A S S+ 0 0 66 -2,-0.6 37,-2.5 36,-0.2 2,-0.3 0.933 80.0 18.3 -48.5 -60.9 -24.9 -30.8 -6.6 83 84 A L S S- 0 0 106 36,-0.1 2,-0.3 35,-0.1 53,-0.1 -0.789 78.4-145.8-112.6 158.9 -25.6 -28.7 -9.7 84 85 A I - 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0 0 195 1,-0.1 2,-0.1 -2,-0.1 -1,-0.1 -0.436 53.2-117.1 -65.9 135.7 45.1 2.6 -30.9 1811 430 D A - 0 0 68 -2,-0.1 2,-0.6 -3,-0.1 -1,-0.1 -0.446 16.2-135.8 -78.5 148.4 42.3 0.6 -29.3 1812 431 D R + 0 0 29 -306,-0.2 -306,-2.4 -2,-0.1 2,-0.3 -0.908 30.3 173.1-107.2 116.3 42.8 -1.8 -26.4 1813 432 D M E -J 1505 0j 17 -2,-0.6 -308,-0.2 -308,-0.2 -1264,-0.1 -0.825 12.7-178.0-121.7 161.8 41.0 -5.1 -26.6 1814 433 D Y E -J 1504 0j 5 -310,-1.2 -310,-0.9 -2,-0.3 -1268,-0.1 -0.974 45.6 -66.7-155.4 145.1 41.0 -8.3 -24.6 1815 434 D P E -J 1503 0j 26 0, 0.0 2,-1.4 0, 0.0 -312,-0.2 0.137 37.6-129.5 -32.8 135.4 39.2 -11.7 -25.0 1816 435 D E > - 0 0 6 -314,-2.4 3,-0.9 1,-0.2 -314,-0.3 -0.753 31.9-175.9 -93.8 84.9 35.4 -11.7 -24.7 1817 436 D T T 3 + 0 0 70 -2,-1.4 -1,-0.2 1,-0.2 -314,-0.0 0.612 67.0 65.9 -57.3 -23.7 35.4 -14.6 -22.2 1818 437 D D T 3 S+ 0 0 7 -3,-0.1 -1,-0.2 1,-0.1 -1445,-0.1 0.830 89.5 69.5 -75.8 -31.5 31.7 -15.0 -21.9 1819 438 D I S < S- 0 0 12 -3,-0.9 -317,-0.3 -344,-0.1 -3,-0.1 -0.794 84.3-130.2 -93.7 122.1 31.0 -16.1 -25.4 1820 439 D P - 0 0 42 0, 0.0 2,-0.2 0, 0.0 -318,-0.1 -0.206 40.6 -87.0 -60.0 156.4 32.3 -19.6 -26.3 1821 440 D P - 0 0 21 0, 0.0 2,-0.5 0, 0.0 -320,-0.2 -0.515 45.0-137.7 -70.2 133.5 34.4 -19.7 -29.5 1822 441 D L E -G 1500 0L 29 -322,-2.3 -322,-4.0 -2,-0.2 2,-0.4 -0.801 11.9-151.7 -96.1 131.1 32.0 -20.3 -32.5 1823 442 D R E -G 1499 0L 79 -2,-0.5 -324,-0.3 -324,-0.3 -325,-0.1 -0.826 4.6-146.6-102.5 140.5 33.1 -22.7 -35.2 1824 443 D I - 0 0 4 -326,-2.6 5,-0.0 -2,-0.4 -2,-0.0 -0.872 19.7-140.2-107.3 101.8 31.9 -22.3 -38.8 1825 444 D P > - 0 0 63 0, 0.0 4,-2.7 0, 0.0 3,-0.2 -0.248 15.3-129.9 -58.8 142.9 31.5 -25.7 -40.4 1826 445 D D H > S+ 0 0 77 1,-0.2 4,-3.3 2,-0.2 5,-0.2 0.865 113.2 68.1 -59.3 -32.0 32.7 -26.1 -44.0 1827 446 D D H > S+ 0 0 131 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.950 106.6 33.9 -47.3 -59.8 29.2 -27.5 -44.2 1828 447 D L H > S+ 0 0 45 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.846 113.1 60.8 -69.1 -36.7 27.7 -24.1 -43.5 1829 448 D K H X S+ 0 0 5 -4,-2.7 4,-2.3 2,-0.2 -2,-0.2 0.940 108.5 44.7 -56.7 -46.1 30.4 -22.3 -45.4 1830 449 D K H X S+ 0 0 41 -4,-3.3 4,-1.7 2,-0.2 5,-0.2 0.967 109.1 53.7 -62.6 -55.6 29.4 -24.2 -48.6 1831 450 D K H X S+ 0 0 42 -4,-1.9 4,-1.4 -5,-0.2 -1,-0.2 0.882 116.8 40.1 -46.4 -44.9 25.6 -23.8 -48.2 1832 451 D I H < S+ 0 0 19 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.832 108.9 59.1 -76.0 -34.8 26.1 -20.0 -47.9 1833 452 D K H < S+ 0 0 72 -4,-2.3 3,-0.3 -5,-0.2 -1,-0.2 0.740 110.8 43.1 -67.8 -23.9 28.8 -19.6 -50.6 1834 453 D E H < S+ 0 0 149 -4,-1.7 2,-1.3 -3,-0.2 -2,-0.2 0.952 109.2 51.1 -84.7 -62.2 26.5 -21.1 -53.2 1835 454 D N S < S+ 0 0 127 -4,-1.4 -1,-0.2 -5,-0.2 -2,-0.1 0.065 77.1 157.5 -68.4 31.0 23.1 -19.4 -52.6 1836 455 D L - 0 0 54 -2,-1.3 -3,-0.1 -3,-0.3 -348,-0.0 -0.296 43.3-108.6 -59.7 141.1 24.7 -15.9 -52.6 1837 456 D P - 0 0 24 0, 0.0 2,-0.6 0, 0.0 -240,-0.1 0.024 34.4 -90.0 -63.4 174.6 22.2 -13.2 -53.3 1838 457 D E - 0 0 92 -242,-0.4 5,-0.1 3,-0.0 -2,-0.0 -0.805 35.9-127.9 -96.1 114.3 21.9 -11.1 -56.5 1839 458 D L > - 0 0 48 -2,-0.6 4,-1.5 1,-0.1 -246,-0.1 -0.285 27.8-115.4 -56.0 142.9 23.9 -7.9 -56.6 1840 459 D P H >> S+ 0 0 21 0, 0.0 4,-1.9 0, 0.0 3,-1.0 0.932 111.2 45.4 -45.3 -65.3 21.6 -5.0 -57.5 1841 460 D Q H 3> S+ 0 0 59 1,-0.3 4,-3.0 2,-0.2 5,-0.3 0.910 106.0 60.5 -48.0 -52.5 23.2 -4.0 -60.8 1842 461 D A H 34 S+ 0 0 53 1,-0.3 4,-0.4 2,-0.2 -1,-0.3 0.861 106.1 49.3 -44.5 -42.2 23.5 -7.6 -62.0 1843 462 D K H XX S+ 0 0 21 -4,-1.5 4,-2.9 -3,-1.0 3,-2.5 0.968 107.7 52.2 -62.6 -53.5 19.7 -7.7 -61.7 1844 463 D V H 3X S+ 0 0 5 -4,-1.9 4,-1.8 1,-0.3 -2,-0.2 0.922 111.4 49.0 -46.4 -47.4 19.3 -4.5 -63.7 1845 464 D E H 3X S+ 0 0 109 -4,-3.0 4,-0.9 1,-0.2 -1,-0.3 0.529 111.0 49.1 -73.5 -7.2 21.5 -6.2 -66.3 1846 465 D R H <>>S+ 0 0 114 -3,-2.5 4,-3.8 -4,-0.4 5,-0.8 0.784 105.1 56.7 -97.6 -38.1 19.4 -9.4 -66.3 1847 466 D Y H X5S+ 0 0 1 -4,-2.9 4,-1.2 3,-0.2 6,-1.0 0.947 114.1 40.7 -56.4 -48.6 16.1 -7.6 -66.6 1848 467 D V H X5S+ 0 0 44 -4,-1.8 4,-1.2 -5,-0.2 -1,-0.2 0.989 122.3 39.0 -62.7 -61.4 17.4 -5.9 -69.8 1849 468 D K H <5S+ 0 0 168 -4,-0.9 -2,-0.2 -5,-0.2 -1,-0.2 0.868 130.6 28.3 -59.9 -39.6 19.1 -9.0 -71.2 1850 469 D E H <5S+ 0 0 57 -4,-3.8 -3,-0.2 1,-0.1 -2,-0.2 0.938 131.9 29.9 -90.3 -54.6 16.5 -11.5 -70.2 1851 470 D Y H < - 0 0 98 1,-0.1 4,-3.0 -2,-0.1 -1,-0.2 -0.125 32.2-137.7 -50.6 140.1 14.1 -0.5 -71.2 1855 474 D R H > S+ 0 0 175 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.886 108.5 55.1 -67.8 -37.6 17.4 0.2 -69.4 1856 475 D S H > S+ 0 0 72 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.957 113.2 40.7 -57.5 -50.7 15.8 3.3 -68.0 1857 476 D L H > S+ 0 0 30 2,-0.2 4,-1.4 1,-0.2 -2,-0.2 0.894 111.9 55.4 -65.5 -42.8 13.0 1.1 -66.5 1858 477 D A H X S+ 0 0 0 -4,-3.0 4,-1.1 2,-0.2 -2,-0.2 0.948 114.5 40.2 -55.8 -51.2 15.4 -1.6 -65.5 1859 478 D Q H >X S+ 0 0 44 -4,-2.6 4,-3.7 1,-0.2 3,-1.8 0.992 115.6 47.9 -60.6 -65.5 17.5 0.8 -63.4 1860 479 D T H 3< S+ 0 0 51 -4,-2.3 4,-0.3 1,-0.3 6,-0.3 0.685 107.0 61.5 -50.8 -18.8 14.6 2.9 -62.0 1861 480 D L H 3<>S+ 0 0 0 -4,-1.4 5,-0.5 -5,-0.2 -1,-0.3 0.864 119.7 23.3 -77.6 -35.8 13.0 -0.4 -61.1 1862 481 D V H X<5S+ 0 0 19 -3,-1.8 3,-2.5 -4,-1.1 5,-0.3 0.858 115.7 62.7 -94.8 -47.2 15.9 -1.4 -58.8 1863 482 D D T 3<5S+ 0 0 114 -4,-3.7 -3,-0.2 1,-0.3 -2,-0.1 0.672 107.7 50.0 -53.0 -16.0 17.3 2.1 -58.0 1864 483 D D T 3 5S- 0 0 109 -5,-0.4 -1,-0.3 -4,-0.3 -2,-0.1 -0.105 117.7-112.4-115.4 33.8 13.9 2.6 -56.4 1865 484 D E T X 5S+ 0 0 40 -3,-2.5 3,-1.0 1,-0.2 4,-0.4 0.425 88.3 118.1 53.7 -0.0 13.8 -0.6 -54.3 1866 485 D R T 3>< + 0 0 16 -5,-0.5 4,-2.6 -6,-0.3 5,-0.4 0.535 38.2 109.3 -71.4 -2.1 11.0 -2.0 -56.5 1867 486 D D H 3> S+ 0 0 15 -5,-0.3 4,-0.8 -6,-0.3 -1,-0.3 0.736 83.5 40.9 -43.4 -28.4 13.6 -4.7 -57.4 1868 487 D E H <> S+ 0 0 40 -3,-1.0 4,-3.0 2,-0.2 5,-0.3 0.938 110.5 51.8 -86.5 -59.3 11.4 -7.0 -55.3 1869 488 D L H > S+ 0 0 57 -4,-0.4 4,-2.7 1,-0.2 -2,-0.2 0.871 111.5 50.2 -45.4 -46.7 7.8 -6.0 -56.2 1870 489 D F H X S+ 0 0 1 -4,-2.6 4,-2.6 2,-0.2 5,-0.3 0.944 111.5 46.2 -59.7 -51.6 8.7 -6.4 -59.9 1871 490 D E H X S+ 0 0 38 -4,-0.8 4,-2.1 -5,-0.4 -2,-0.2 0.912 114.0 50.0 -57.9 -42.8 10.2 -9.8 -59.4 1872 491 D E H < S+ 0 0 67 -4,-3.0 4,-0.4 2,-0.2 -1,-0.2 0.890 112.7 47.0 -63.1 -41.5 7.2 -10.8 -57.3 1873 492 D L H ><>S+ 0 0 39 -4,-2.7 3,-3.1 -5,-0.3 5,-0.7 0.997 115.3 42.7 -62.9 -65.4 4.8 -9.5 -60.0 1874 493 D V H ><5S+ 0 0 12 -4,-2.6 3,-3.2 1,-0.3 -2,-0.2 0.803 100.1 74.5 -49.9 -34.3 6.5 -11.2 -63.0 1875 494 D S T 3<5S+ 0 0 82 -4,-2.1 -1,-0.3 -5,-0.3 -2,-0.2 0.789 84.1 66.6 -52.0 -26.7 6.8 -14.2 -60.8 1876 495 D M T < 5S- 0 0 77 -3,-3.1 -1,-0.3 -4,-0.4 -2,-0.2 0.337 117.9-117.5 -77.6 11.5 3.1 -14.5 -61.5 1877 496 D G T < 5S+ 0 0 73 -3,-3.2 -2,-0.2 1,-0.1 -3,-0.2 0.525 84.8 119.4 63.0 5.0 4.2 -15.2 -65.1 1878 497 D V < + 0 0 47 -5,-0.7 -1,-0.1 1,-0.2 5,-0.1 0.368 50.9 27.6 -77.3-150.7 2.2 -12.1 -65.5 1879 498 D K S >S- 0 0 22 1,-0.1 5,-0.7 4,-0.1 6,-0.3 0.353 79.5-134.1 -12.4 78.5 3.1 -8.6 -66.7 1880 499 D P T 5 - 0 0 105 0, 0.0 -1,-0.1 0, 0.0 -3,-0.1 0.584 55.7 -76.5 -8.9 -61.8 5.9 -9.7 -69.1 1881 500 D S T >5S+ 0 0 4 -29,-0.1 4,-3.2 -8,-0.0 5,-0.3 -0.015 131.7 57.7-179.7 -42.1 8.1 -7.0 -67.8 1882 501 D L H >5S+ 0 0 60 3,-0.2 4,-2.0 2,-0.2 5,-0.5 0.856 104.2 54.2 -74.2 -34.6 6.8 -3.9 -69.6 1883 502 D A H >5S+ 0 0 44 3,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.984 122.4 30.0 -60.6 -55.3 3.4 -4.4 -68.1 1884 503 D A H >S+ 0 0 0 -4,-3.2 4,-1.2 -6,-0.3 5,-0.7 0.893 116.6 45.5 -41.5 -54.8 8.0 -2.2 -65.2 1886 505 D I H X>S+ 0 0 38 -4,-2.0 5,-2.3 -5,-0.3 4,-1.6 0.944 115.1 49.1 -57.7 -49.1 5.8 0.4 -66.9 1887 506 D L H <>S+ 0 0 105 -4,-2.1 5,-2.1 -5,-0.5 6,-0.2 0.980 120.8 32.1 -52.3 -70.8 3.2 0.1 -64.2 1888 507 D V H <>S+ 0 0 51 -4,-2.4 5,-0.8 3,-0.2 4,-0.2 0.972 126.7 36.0 -51.0 -75.7 5.5 0.4 -61.2 1889 508 D V H <5S+ 0 0 29 -4,-1.2 -1,-0.2 -5,-0.2 -3,-0.2 0.774 138.0 16.8 -53.1 -32.8 8.3 2.7 -62.4 1890 509 D V T <