==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=3-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 16-MAR-07 2P5Q . COMPND 2 MOLECULE: GLUTATHIONE PEROXIDASE 5; . SOURCE 2 ORGANISM_SCIENTIFIC: POPULUS TRICHOCARPA X POPULUS . AUTHOR C.S.KOH,C.DIDIERJEAN,N.NAVROT,S.PANJIKAR,G.MULLIERT, . 641 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 26926.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 445 69.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 48 7.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 72 11.2 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 8 1.2 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 . 43 6.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 94 14.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 141 22.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 16 2.5 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 3 0 3 2 3 0 0 1 3 0 0 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 8 0 0 0 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 PARALLEL BRIDGES PER LADDER . 6 0 4 8 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 . 4 0 0 0 0 0 0 0 2 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 E 0 0 192 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -9.3 22.9 1.0 24.1 2 11 A S > - 0 0 22 134,-0.1 3,-1.8 1,-0.0 134,-0.2 -0.923 360.0 -98.8-143.8 168.3 20.0 2.1 21.8 3 12 A V G > S+ 0 0 0 132,-2.6 3,-1.3 -2,-0.3 15,-0.2 0.731 115.1 72.4 -61.6 -19.7 17.1 4.4 22.0 4 13 A H G 3 S+ 0 0 30 1,-0.3 15,-0.4 131,-0.2 -1,-0.3 0.598 78.6 72.1 -74.6 -10.5 15.0 1.3 22.7 5 14 A D G < S+ 0 0 110 -3,-1.8 2,-0.3 13,-0.1 -1,-0.3 0.447 87.9 90.4 -81.9 1.1 16.3 0.9 26.3 6 15 A F < - 0 0 43 -3,-1.3 12,-2.1 -4,-0.1 2,-0.4 -0.727 54.5-166.0-107.3 152.6 14.3 4.0 27.3 7 16 A T E -A 17 0A 76 -2,-0.3 2,-0.3 10,-0.2 10,-0.2 -0.986 12.5-178.5-129.1 135.9 10.8 4.6 28.6 8 17 A V E -A 16 0A 11 8,-2.1 8,-2.7 -2,-0.4 2,-0.3 -0.874 28.6-106.1-130.5 164.5 9.2 8.0 28.7 9 18 A K E -A 15 0A 86 -2,-0.3 85,-2.2 6,-0.2 6,-0.2 -0.720 29.2-136.0 -94.4 144.1 5.8 9.2 30.0 10 19 A D B > -B 93 0B 43 4,-3.1 3,-2.2 -2,-0.3 83,-0.2 -0.220 43.2 -79.5 -85.2-177.5 3.0 10.2 27.6 11 20 A A T 3 S+ 0 0 23 81,-0.8 82,-0.1 1,-0.3 68,-0.1 0.576 132.7 51.6 -61.0 -9.5 0.8 13.3 27.9 12 21 A K T 3 S- 0 0 170 2,-0.2 -1,-0.3 63,-0.1 3,-0.1 0.079 121.2-103.9-115.6 23.1 -1.2 11.4 30.6 13 22 A E S < S+ 0 0 95 -3,-2.2 2,-0.4 1,-0.2 -2,-0.1 0.675 78.5 134.9 65.1 20.8 1.7 10.5 32.7 14 23 A N - 0 0 93 1,-0.1 -4,-3.1 -4,-0.0 -1,-0.2 -0.804 59.6-104.3-102.0 142.7 1.7 6.9 31.5 15 24 A D E -A 9 0A 111 -2,-0.4 2,-0.4 -6,-0.2 -6,-0.2 -0.315 28.9-166.0 -65.8 143.7 4.8 5.0 30.5 16 25 A V E -A 8 0A 24 -8,-2.7 -8,-2.1 -2,-0.0 2,-0.7 -0.976 15.1-141.8-133.6 116.1 5.7 4.4 26.9 17 26 A D E > -A 7 0A 71 -2,-0.4 3,-2.1 -10,-0.2 -10,-0.2 -0.693 7.7-150.0 -79.1 114.2 8.4 1.8 26.0 18 27 A L G > S+ 0 0 0 -12,-2.1 3,-1.8 -2,-0.7 -1,-0.2 0.639 87.9 80.1 -61.8 -12.5 10.3 3.3 23.1 19 28 A S G > S+ 0 0 36 -15,-0.4 3,-1.7 -13,-0.3 -1,-0.3 0.687 75.2 75.1 -68.7 -14.8 11.0 -0.2 21.9 20 29 A I G < S+ 0 0 112 -3,-2.1 -1,-0.3 1,-0.3 -2,-0.2 0.596 89.0 60.7 -71.2 -8.2 7.5 -0.2 20.4 21 30 A F G X S+ 0 0 19 -3,-1.8 3,-1.7 -4,-0.1 -1,-0.3 0.230 74.7 140.6-101.3 12.3 9.0 2.0 17.7 22 31 A K T < + 0 0 147 -3,-1.7 3,-0.1 1,-0.3 112,-0.1 -0.264 65.5 29.8 -54.9 139.7 11.5 -0.6 16.6 23 32 A G T 3 S+ 0 0 42 110,-0.7 2,-0.3 1,-0.3 -1,-0.3 0.451 103.6 99.5 88.6 0.1 11.8 -0.6 12.8 24 33 A K S < S- 0 0 78 -3,-1.7 2,-0.4 109,-0.2 -1,-0.3 -0.890 73.1-121.4-121.9 152.8 11.0 3.0 12.5 25 34 A V E -c 57 0C 0 31,-2.5 33,-2.6 -2,-0.3 2,-0.5 -0.755 32.7-141.3 -88.4 135.4 13.2 6.1 12.0 26 35 A L E -cD 58 131C 1 105,-2.3 105,-2.4 -2,-0.4 2,-0.7 -0.872 16.5-166.2-107.5 130.9 12.6 8.6 14.8 27 36 A L E -cD 59 130C 0 31,-2.2 33,-2.4 -2,-0.5 2,-0.6 -0.963 19.4-166.0-109.3 107.6 12.4 12.4 14.5 28 37 A I E +cD 60 129C 0 101,-2.6 101,-1.8 -2,-0.7 2,-0.4 -0.886 10.8 175.1-103.4 123.4 12.7 13.6 18.1 29 38 A V E -cD 61 128C 0 31,-2.4 33,-2.8 -2,-0.6 2,-0.6 -0.987 29.0-141.1-133.1 131.5 11.8 17.2 18.7 30 39 A N E -c 62 0C 0 97,-1.2 96,-2.2 -2,-0.4 97,-0.2 -0.808 37.7-161.0 -87.4 124.6 11.5 19.3 21.9 31 40 A V E -c 63 0C 0 31,-1.8 33,-1.9 -2,-0.6 2,-0.3 -0.575 21.4-169.5-109.4 170.5 8.5 21.6 21.3 32 41 A A - 0 0 0 -2,-0.2 3,-0.4 31,-0.2 39,-0.2 -0.967 16.1-150.5-155.4 141.3 6.9 24.8 22.6 33 42 A S S S+ 0 0 14 37,-0.6 38,-0.2 -2,-0.3 -1,-0.1 0.755 92.9 47.0 -87.3 -27.8 3.5 26.4 22.0 34 43 A K S S+ 0 0 140 36,-2.9 2,-0.3 4,-0.1 -1,-0.2 -0.186 85.5 116.4-109.6 40.8 4.4 30.1 22.4 35 44 A C S > S- 0 0 16 -3,-0.4 3,-1.5 35,-0.1 4,-0.4 -0.778 72.1-124.5-108.7 152.8 7.5 30.3 20.3 36 45 A G T 3 S+ 0 0 81 -2,-0.3 4,-0.3 1,-0.3 3,-0.2 0.758 116.2 49.9 -63.7 -22.0 8.1 32.3 17.1 37 46 A M T 3> S+ 0 0 41 1,-0.1 4,-2.1 2,-0.1 -1,-0.3 0.424 85.2 95.5 -95.6 0.6 9.0 29.0 15.5 38 47 A T H <> S+ 0 0 2 -3,-1.5 4,-2.3 1,-0.2 5,-0.3 0.936 82.7 45.4 -56.3 -55.9 5.9 27.1 16.7 39 48 A N H > S+ 0 0 22 -4,-0.4 4,-2.1 1,-0.2 5,-0.2 0.914 116.0 44.5 -59.2 -47.2 3.7 27.5 13.6 40 49 A S H > S+ 0 0 45 -4,-0.3 4,-2.4 2,-0.2 -1,-0.2 0.887 114.7 48.5 -66.8 -39.3 6.3 26.6 11.0 41 50 A N H X S+ 0 0 5 -4,-2.1 4,-2.3 2,-0.2 5,-0.2 0.949 114.5 42.7 -68.6 -48.2 7.7 23.6 12.9 42 51 A Y H X S+ 0 0 0 -4,-2.3 4,-2.3 -5,-0.2 -2,-0.2 0.926 116.4 49.6 -63.7 -42.8 4.4 22.0 13.7 43 52 A A H X S+ 0 0 0 -4,-2.1 4,-1.6 -5,-0.3 -2,-0.2 0.931 114.2 43.8 -61.2 -47.1 3.2 22.7 10.1 44 53 A E H X S+ 0 0 11 -4,-2.4 4,-2.2 1,-0.2 -1,-0.2 0.826 111.2 54.4 -68.5 -31.6 6.3 21.3 8.5 45 54 A M H X S+ 0 0 0 -4,-2.3 4,-2.7 2,-0.2 -1,-0.2 0.894 105.7 54.2 -68.2 -37.5 6.3 18.3 10.9 46 55 A N H X S+ 0 0 2 -4,-2.3 4,-2.4 1,-0.2 -2,-0.2 0.900 108.6 48.8 -61.1 -41.3 2.7 17.6 9.8 47 56 A Q H X S+ 0 0 41 -4,-1.6 4,-2.0 2,-0.2 -2,-0.2 0.919 112.0 47.3 -65.7 -45.1 3.9 17.6 6.1 48 57 A L H X S+ 0 0 1 -4,-2.2 4,-2.3 1,-0.2 5,-0.3 0.924 112.9 50.6 -61.8 -42.8 6.8 15.2 6.9 49 58 A Y H X S+ 0 0 25 -4,-2.7 4,-2.8 2,-0.2 5,-0.3 0.921 109.5 48.4 -62.4 -46.6 4.4 12.9 8.9 50 59 A E H < S+ 0 0 65 -4,-2.4 4,-0.3 1,-0.2 -1,-0.2 0.907 117.2 43.5 -60.2 -41.7 1.8 12.7 6.2 51 60 A K H < S+ 0 0 110 -4,-2.0 -2,-0.2 -5,-0.2 -1,-0.2 0.799 129.9 20.9 -76.1 -29.9 4.4 11.9 3.6 52 61 A Y H ><>S+ 0 0 4 -4,-2.3 5,-2.2 -5,-0.2 3,-1.8 0.513 89.9 94.8-121.6 -4.5 6.5 9.4 5.6 53 62 A K G ><5S+ 0 0 53 -4,-2.8 3,-0.9 1,-0.3 -3,-0.1 0.890 94.3 45.5 -56.4 -39.4 4.4 7.9 8.4 54 63 A D G 3 5S+ 0 0 130 -4,-0.3 -1,-0.3 -5,-0.3 -2,-0.1 0.440 109.7 58.1 -84.0 2.5 3.4 4.9 6.3 55 64 A Q G < 5S- 0 0 99 -3,-1.8 -1,-0.2 2,-0.1 -2,-0.2 0.300 131.3 -78.5-113.0 8.0 7.0 4.6 5.1 56 65 A G T < 5S+ 0 0 12 -3,-0.9 -31,-2.5 -4,-0.3 2,-0.4 0.434 85.9 129.8 114.0 0.0 8.6 4.1 8.6 57 66 A L E < -c 25 0C 0 -5,-2.2 2,-0.4 -33,-0.2 -1,-0.3 -0.734 28.4-178.9 -92.9 135.0 8.9 7.6 10.1 58 67 A E E -c 26 0C 18 -33,-2.6 -31,-2.2 -2,-0.4 2,-0.5 -0.991 13.8-149.8-128.6 138.3 7.6 8.3 13.6 59 68 A I E -c 27 0C 0 -2,-0.4 2,-0.6 -33,-0.2 -31,-0.2 -0.942 5.5-163.8-113.3 125.5 7.7 11.7 15.2 60 69 A L E -c 28 0C 0 -33,-2.4 -31,-2.4 -2,-0.5 2,-0.6 -0.933 6.6-162.4-110.5 114.9 8.1 12.1 18.9 61 70 A A E -ce 29 92C 0 30,-2.0 32,-3.2 -2,-0.6 -31,-0.2 -0.870 4.9-171.4-102.0 119.0 7.2 15.6 20.3 62 71 A F E -c 30 0C 0 -33,-2.8 -31,-1.8 -2,-0.6 33,-0.1 -0.905 17.3-139.8-112.4 107.1 8.4 16.4 23.8 63 72 A P E -c 31 0C 1 0, 0.0 33,-2.5 0, 0.0 2,-0.3 -0.342 24.8-178.3 -62.3 146.4 7.1 19.7 25.3 64 73 A C - 0 0 0 -33,-1.9 3,-0.3 31,-0.2 6,-0.2 -0.947 24.6-169.6-151.9 127.7 9.8 21.6 27.2 65 74 A N > + 0 0 44 31,-0.4 4,-0.5 -2,-0.3 6,-0.1 0.140 63.0 102.0-103.4 18.9 9.4 24.9 29.1 66 75 A Q T 4 + 0 0 69 30,-0.3 2,-0.5 1,-0.2 -1,-0.2 0.442 68.1 72.7 -82.5 0.8 13.2 25.5 29.6 67 76 A F T >4 S- 0 0 13 -3,-0.3 3,-1.0 1,-0.1 -1,-0.2 -0.818 126.8 -38.5-124.8 95.7 13.4 28.1 26.9 68 77 A G T 34 S- 0 0 53 -2,-0.5 -2,-0.1 1,-0.2 -1,-0.1 0.686 97.6 -84.5 67.3 18.1 11.9 31.5 27.5 69 78 A E T 3< S+ 0 0 144 -4,-0.5 -1,-0.2 1,-0.1 -3,-0.1 0.889 83.4 150.0 50.4 45.2 9.0 29.8 29.3 70 79 A E < + 0 0 42 -3,-1.0 -36,-2.9 1,-0.2 -37,-0.6 0.241 65.3 49.8 -93.3 14.8 7.3 29.2 26.0 71 80 A E + 0 0 2 -39,-0.2 -1,-0.2 -38,-0.2 -2,-0.1 -0.431 65.6 141.9-145.5 59.6 5.6 26.0 27.0 72 81 A P + 0 0 63 0, 0.0 -2,-0.1 0, 0.0 -7,-0.1 0.631 41.3 100.0 -78.2 -17.9 4.0 27.1 30.4 73 82 A G S S- 0 0 13 1,-0.1 2,-0.1 2,-0.1 -8,-0.0 -0.075 77.8-100.2 -70.2 169.9 0.8 25.1 30.0 74 83 A T > - 0 0 79 1,-0.1 4,-2.5 4,-0.0 5,-0.2 -0.328 43.3 -98.0 -78.6 169.8 -0.3 21.8 31.5 75 84 A N H > S+ 0 0 22 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.887 127.4 51.7 -57.0 -39.0 -0.1 18.7 29.4 76 85 A D H > S+ 0 0 99 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.880 109.4 48.0 -67.0 -37.9 -3.8 19.0 28.7 77 86 A Q H > S+ 0 0 113 2,-0.2 4,-2.1 3,-0.2 -2,-0.2 0.886 113.3 48.8 -69.5 -37.3 -3.4 22.7 27.6 78 87 A I H X S+ 0 0 2 -4,-2.5 4,-2.4 2,-0.2 5,-0.2 0.964 115.6 41.7 -66.4 -51.9 -0.5 21.7 25.4 79 88 A T H X S+ 0 0 38 -4,-2.7 4,-2.9 1,-0.2 -2,-0.2 0.897 114.4 52.2 -64.1 -39.2 -2.3 18.8 23.7 80 89 A D H X S+ 0 0 78 -4,-2.4 4,-2.1 -5,-0.2 -1,-0.2 0.905 109.3 51.4 -61.9 -40.6 -5.6 20.8 23.5 81 90 A F H X S+ 0 0 41 -4,-2.1 4,-3.0 2,-0.2 5,-0.4 0.952 113.5 42.3 -60.3 -52.4 -3.6 23.6 21.8 82 91 A V H X>S+ 0 0 4 -4,-2.4 5,-2.2 1,-0.2 4,-1.8 0.903 111.8 55.8 -61.8 -42.2 -2.1 21.2 19.2 83 92 A C H <5S+ 0 0 87 -4,-2.9 -1,-0.2 -5,-0.2 -2,-0.2 0.891 116.6 37.8 -57.1 -39.5 -5.4 19.4 18.8 84 93 A T H <5S+ 0 0 44 -4,-2.1 -2,-0.2 -5,-0.2 -1,-0.2 0.962 126.5 29.4 -78.0 -56.7 -7.0 22.8 17.9 85 94 A R H <5S+ 0 0 22 -4,-3.0 -3,-0.2 -5,-0.2 284,-0.2 0.859 134.4 16.9 -77.4 -38.4 -4.4 24.6 15.9 86 95 A F T <5S- 0 0 0 -4,-1.8 -3,-0.2 -5,-0.4 3,-0.1 0.676 71.5-147.6-112.6 -22.3 -2.4 21.9 14.1 87 96 A K < - 0 0 34 -5,-2.2 -4,-0.2 1,-0.2 -5,-0.1 0.823 32.9-175.1 55.3 32.1 -4.4 18.6 14.2 88 97 A S - 0 0 22 -6,-0.5 -1,-0.2 1,-0.1 4,-0.1 -0.316 22.0-158.7 -61.9 140.7 -1.1 16.8 14.3 89 98 A E + 0 0 109 -3,-0.1 -1,-0.1 2,-0.1 3,-0.1 0.414 63.1 92.7-102.6 -0.7 -1.3 13.0 14.2 90 99 A F S S- 0 0 7 1,-0.1 -30,-0.1 -32,-0.1 -32,-0.0 -0.641 88.8 -86.6 -91.1 153.5 2.0 12.2 15.8 91 100 A P - 0 0 41 0, 0.0 -30,-2.0 0, 0.0 2,-0.5 -0.272 30.5-154.2 -64.2 140.3 2.3 11.6 19.5 92 101 A I B -e 61 0C 27 -32,-0.2 -81,-0.8 -4,-0.1 -30,-0.2 -0.975 21.5-157.1-113.5 120.8 2.8 14.5 22.0 93 102 A F B -B 10 0B 6 -32,-3.2 -83,-0.3 -2,-0.5 3,-0.1 -0.238 28.9 -66.0 -93.6-178.3 4.5 13.3 25.2 94 103 A D - 0 0 26 -85,-2.2 -1,-0.2 -80,-0.2 -83,-0.1 -0.311 62.1 -94.9 -64.7 147.6 4.8 14.5 28.8 95 104 A K + 0 0 57 -33,-0.1 2,-0.3 -85,-0.1 -31,-0.2 -0.399 56.5 172.6 -64.0 141.7 6.6 17.8 29.3 96 105 A I - 0 0 29 -33,-2.5 -31,-0.4 -3,-0.1 2,-0.4 -0.880 36.1-108.3-143.7 174.4 10.2 17.2 30.2 97 106 A D B -l 103 0D 59 5,-0.5 7,-2.6 -2,-0.3 10,-0.2 -0.854 21.4-173.5-103.5 143.5 13.5 18.9 30.8 98 107 A V S S+ 0 0 0 -2,-0.4 2,-0.3 5,-0.2 24,-0.2 0.555 71.0 41.1-111.0 -18.0 16.1 18.4 28.1 99 108 A N S S+ 0 0 14 22,-0.1 3,-0.3 3,-0.0 -1,-0.1 -0.848 92.8 36.1-125.6 163.7 19.0 20.1 29.9 100 109 A G S > S- 0 0 48 -2,-0.3 3,-2.2 1,-0.2 -3,-0.0 -0.066 103.6 -52.9 85.0 172.0 20.2 20.1 33.5 101 110 A E T 3 S+ 0 0 166 1,-0.3 -1,-0.2 -2,-0.0 -4,-0.0 0.649 135.4 52.8 -61.0 -18.4 20.3 17.4 36.2 102 111 A N T 3 S+ 0 0 121 -3,-0.3 -5,-0.5 2,-0.0 -1,-0.3 0.273 79.9 136.2-100.3 11.0 16.6 16.6 35.7 103 112 A A B < -l 97 0D 6 -3,-2.2 -5,-0.2 1,-0.1 5,-0.1 -0.287 67.7 -93.1 -59.4 140.2 17.0 16.2 31.9 104 113 A S > - 0 0 15 -7,-2.6 4,-1.7 1,-0.1 3,-0.4 -0.215 26.8-125.8 -54.8 138.7 15.2 13.1 30.5 105 114 A P H > S+ 0 0 77 0, 0.0 4,-1.9 0, 0.0 5,-0.2 0.846 110.7 62.0 -56.6 -31.9 17.3 10.0 30.3 106 115 A L H > S+ 0 0 1 1,-0.2 4,-2.3 2,-0.2 5,-0.1 0.939 104.4 46.1 -58.8 -48.1 16.4 9.8 26.6 107 116 A Y H > S+ 0 0 0 -3,-0.4 4,-2.3 1,-0.2 -1,-0.2 0.820 106.5 57.6 -66.7 -30.9 18.0 13.2 26.0 108 117 A R H X S+ 0 0 115 -4,-1.7 4,-0.6 2,-0.2 -1,-0.2 0.914 110.5 45.9 -63.9 -39.0 21.1 12.3 27.9 109 118 A F H >< S+ 0 0 27 -4,-1.9 3,-1.0 1,-0.2 4,-0.4 0.902 109.4 53.5 -67.1 -44.1 21.4 9.3 25.5 110 119 A L H >< S+ 0 0 0 -4,-2.3 3,-1.4 1,-0.3 -2,-0.2 0.893 105.9 54.9 -58.5 -39.6 20.7 11.5 22.5 111 120 A K H 3< S+ 0 0 30 -4,-2.3 -1,-0.3 1,-0.3 -2,-0.2 0.672 98.4 61.6 -69.5 -18.2 23.6 13.8 23.6 112 121 A L T > + 0 0 6 -3,-1.4 5,-1.7 -4,-0.4 3,-0.6 -0.068 65.8 7.6 -55.9 148.5 25.4 10.5 20.0 114 123 A K H >45S- 0 0 73 23,-0.5 3,-2.1 1,-0.2 -1,-0.2 0.915 135.3 -44.6 45.2 65.5 28.2 10.4 17.4 115 124 A W H 345S- 0 0 207 1,-0.3 -1,-0.2 -3,-0.3 -2,-0.2 0.717 110.0 -57.7 58.8 23.8 31.3 10.3 19.6 116 125 A G H X<5S+ 0 0 40 -4,-0.9 3,-1.9 -3,-0.6 -1,-0.3 0.533 103.7 128.5 86.0 4.3 29.9 13.1 21.8 117 126 A I T <<5S+ 0 0 13 -3,-2.1 3,-0.5 -4,-0.5 -3,-0.2 0.836 74.6 53.1 -61.0 -30.4 29.5 15.5 18.9 118 127 A F T 3 S- 0 0 82 -94,-0.0 3,-0.6 155,-0.0 -94,-0.1 -0.927 87.7 -33.0-171.5-169.5 16.4 26.4 22.3 125 134 A N T 3 S+ 0 0 0 -2,-0.3 -94,-0.2 1,-0.2 -93,-0.1 -0.374 116.0 24.2 -66.2 145.2 12.9 25.3 21.4 126 135 A F T 3 S+ 0 0 0 -96,-2.2 -1,-0.2 1,-0.2 2,-0.2 0.823 70.3 159.9 70.2 38.8 12.6 22.9 18.5 127 136 A A < - 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0 0 13 -7,-3.1 4,-1.5 1,-0.2 3,-0.5 -0.216 26.2-126.0 -52.7 137.5 5.6 64.6 6.4 589 114 D P H > S+ 0 0 77 0, 0.0 4,-1.9 0, 0.0 -1,-0.2 0.809 110.2 62.8 -56.5 -28.0 8.9 62.7 5.9 590 115 D L H > S+ 0 0 1 1,-0.2 4,-2.2 2,-0.2 5,-0.1 0.942 103.7 44.6 -62.8 -48.9 7.8 60.5 8.8 591 116 D Y H > S+ 0 0 0 -3,-0.5 4,-1.7 1,-0.2 -1,-0.2 0.774 108.7 57.4 -68.4 -25.7 4.7 59.2 6.9 592 117 D R H < S+ 0 0 119 -4,-1.5 4,-0.3 2,-0.2 -1,-0.2 0.909 110.3 45.0 -69.4 -39.5 6.8 58.7 3.8 593 118 D F H >< S+ 0 0 27 -4,-1.9 3,-1.3 1,-0.2 4,-0.2 0.882 109.4 55.3 -69.4 -39.3 9.1 56.4 5.8 594 119 D L H >< S+ 0 0 0 -4,-2.2 3,-1.6 1,-0.3 -1,-0.2 0.864 101.5 58.5 -61.7 -36.0 6.1 54.7 7.4 595 120 D K T 3< S+ 0 0 25 -4,-1.7 -1,-0.3 1,-0.3 -2,-0.2 0.621 95.8 64.0 -70.0 -12.2 4.8 53.8 3.9 596 121 D L T <> S+ 0 0 120 -3,-1.3 4,-1.2 -4,-0.3 3,-0.4 0.518 81.2 129.9 -86.2 -6.3 8.0 52.0 3.2 597 122 D G H <>> + 0 0 4 -3,-1.6 5,-1.7 -4,-0.2 4,-0.6 -0.050 66.5 6.6 -52.6 147.2 7.1 49.6 6.0 598 123 D K H >45S- 0 0 67 23,-0.6 3,-1.9 1,-0.2 -1,-0.2 0.903 134.4 -49.2 44.3 60.8 7.2 45.8 5.5 599 124 D W H 345S- 0 0 217 -3,-0.4 -1,-0.2 1,-0.3 -2,-0.2 0.834 110.7 -50.5 53.6 39.5 8.8 45.8 2.0 600 125 D G H ><5S+ 0 0 43 -4,-1.2 3,-1.9 -3,-0.4 -1,-0.3 0.478 105.7 124.0 82.0 0.7 6.4 48.3 0.6 601 126 D I T <<5S+ 0 0 15 -3,-1.9 3,-0.4 -4,-0.6 -3,-0.2 0.820 78.3 49.4 -62.7 -28.7 3.3 46.5 1.8 602 127 D F T 3 S- 0 0 85 -94,-0.0 3,-0.6 -57,-0.0 -94,-0.1 -0.962 87.8 -34.7-179.0-170.9 -8.8 58.6 5.5 609 134 D N T 3 S+ 0 0 0 -2,-0.3 -94,-0.2 1,-0.2 -93,-0.1 -0.363 114.7 24.4 -67.4 149.6 -8.8 60.0 9.1 610 135 D F T 3 S+ 0 0 0 -96,-2.6 -1,-0.2 1,-0.2 2,-0.2 0.812 71.0 160.1 66.9 38.8 -7.6 57.7 11.8 611 136 D A < - 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Z 0 614J 13 -9,-1.7 -9,-2.5 -155,-0.0 2,-0.3 -0.990 50.9-175.2-139.9 148.3 1.8 47.0 11.5 624 149 D R E - Z 0 613J 0 -2,-0.3 -159,-0.6 -11,-0.2 2,-0.3 -0.993 10.6-165.2-138.0 142.9 -0.6 49.2 9.6 625 150 D Y E -VZ 464 612J 2 -13,-2.6 -13,-1.6 -2,-0.3 -161,-0.1 -0.960 24.5-108.1-132.4 149.9 -4.4 49.3 10.0 626 151 D Y > - 0 0 0 -163,-0.7 3,-2.8 -2,-0.3 -185,-0.1 -0.401 37.3-109.6 -71.0 149.5 -7.2 50.8 7.9 627 152 D P T 3 S+ 0 0 1 0, 0.0 -1,-0.1 0, 0.0 -21,-0.0 0.838 117.5 62.2 -45.7 -39.9 -9.1 53.8 9.4 628 153 D T T 3 S+ 0 0 28 2,-0.1 2,-1.0 -191,-0.1 -17,-0.1 0.566 79.5 94.0 -67.7 -10.5 -12.1 51.6 10.0 629 154 D T S < S- 0 0 0 -3,-2.8 5,-0.1 -19,-0.1 -4,-0.1 -0.752 77.4-138.2 -87.0 105.5 -10.2 49.4 12.5 630 155 D S > - 0 0 18 -2,-1.0 3,-1.9 1,-0.1 4,-0.3 -0.209 21.5-105.6 -62.4 154.2 -10.9 51.0 15.9 631 156 D P G > S+ 0 0 0 0, 0.0 3,-2.3 0, 0.0 4,-0.3 0.824 116.0 62.8 -47.3 -44.7 -8.0 51.3 18.4 632 157 D L G > S+ 0 0 37 1,-0.3 3,-1.1 2,-0.2 4,-0.3 0.758 92.8 66.4 -58.0 -23.6 -9.2 48.5 20.7 633 158 D S G < S+ 0 0 3 -3,-1.9 3,-0.3 1,-0.2 4,-0.3 0.672 94.7 58.5 -71.5 -16.3 -8.6 46.1 17.7 634 159 D L G <> S+ 0 0 0 -3,-2.3 4,-2.4 -4,-0.3 3,-0.3 0.519 78.3 94.5 -90.0 -6.0 -4.9 46.8 17.9 635 160 D E H <> S+ 0 0 41 -3,-1.1 4,-2.7 -4,-0.3 5,-0.2 0.866 78.5 55.6 -54.4 -43.7 -4.6 45.6 21.5 636 161 D R H > S+ 0 0 58 -3,-0.3 4,-1.6 -4,-0.3 -1,-0.2 0.929 113.7 41.8 -57.4 -45.0 -3.6 42.0 20.6 637 162 D D H > S+ 0 0 11 -4,-0.3 4,-2.4 -3,-0.3 -1,-0.2 0.850 111.2 55.8 -71.3 -35.2 -0.7 43.3 18.6 638 163 D I H X S+ 0 0 0 -4,-2.4 4,-2.3 1,-0.2 5,-0.3 0.951 108.1 48.5 -61.8 -47.5 0.3 46.0 21.2 639 164 D K H X>S+ 0 0 66 -4,-2.7 5,-3.1 1,-0.2 4,-1.4 0.891 110.9 50.9 -59.3 -41.5 0.6 43.3 23.9 640 165 D Q H <5S+ 0 0 121 -4,-1.6 -1,-0.2 -5,-0.2 -2,-0.2 0.918 112.5 46.1 -62.7 -43.3 2.7 41.2 21.6 641 166 D L H <5S+ 0 0 41 -4,-2.4 -24,-0.3 1,-0.2 -2,-0.2 0.809 117.2 43.2 -69.8 -30.6 5.0 44.1 20.9 642 167 D L H <5S- 0 0 12 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.633 112.6-124.4 -86.6 -15.4 5.2 45.0 24.5 643 168 D E T <5 0 0 151 -4,-1.4 -3,-0.2 -5,-0.3 -4,-0.1 0.916 360.0 360.0 71.6 46.5 5.6 41.3 25.3 644 169 D I < 0 0 92 -5,-3.1 -1,-0.2 -6,-0.1 -2,-0.1 -0.673 360.0 360.0-110.8 360.0 2.6 41.2 27.7