==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=10-APR-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ISOMERASE 03-NOV-10 3PH4 . COMPND 2 MOLECULE: RIBOSE-5-PHOSPHATE ISOMERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: CLOSTRIDIUM THERMOCELLUM; . AUTHOR J.JUNG,J.-K.KIM,S.-J.YEOM,Y.-J.AHN,D.-K.OH,L.-W.KANG . 296 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11198.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 226 76.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 42 14.2 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 . 16 5.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 26 8.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 121 40.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 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 2 0 2 0 0 1 5 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 2 2 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 . 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 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 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 97 0, 0.0 27,-1.4 0, 0.0 2,-0.5 0.000 360.0 360.0 360.0 173.1 -4.4 49.6 34.5 2 2 A K E -a 28 0A 69 25,-0.2 57,-2.4 27,-0.1 58,-1.3 -0.914 360.0-158.5-109.0 137.1 -8.0 50.2 33.3 3 3 A I E -ab 29 60A 0 25,-2.7 27,-2.2 -2,-0.5 2,-0.4 -0.937 3.6-153.2-117.2 120.7 -10.7 48.1 34.8 4 4 A G E -ab 30 61A 0 56,-2.4 58,-2.4 -2,-0.5 2,-0.3 -0.762 17.2-172.2 -86.3 142.1 -14.1 47.5 33.1 5 5 A I E +ab 31 62A 1 25,-2.5 27,-3.3 -2,-0.4 2,-0.3 -0.988 10.8 160.8-134.1 145.8 -17.0 46.7 35.4 6 6 A G E + b 0 63A 0 56,-1.9 58,-1.9 -2,-0.3 28,-0.3 -0.984 4.8 171.0-156.7 163.7 -20.6 45.7 34.7 7 7 A S E - b 0 64A 0 26,-1.7 58,-0.2 -2,-0.3 2,-0.1 -0.977 29.9-118.9-159.6 162.6 -23.5 44.0 36.5 8 8 A D > - 0 0 9 56,-1.3 3,-0.7 -2,-0.3 4,-0.4 -0.274 57.8 -84.0 -88.0-167.2 -27.2 43.2 36.2 9 9 A H G > S+ 0 0 39 1,-0.2 3,-0.6 31,-0.2 4,-0.4 0.819 132.0 62.9 -69.9 -29.6 -29.6 44.6 38.9 10 10 A G G 3 S+ 0 0 5 1,-0.2 55,-0.2 30,-0.2 -1,-0.2 0.741 114.5 31.7 -58.9 -26.7 -28.6 41.6 41.1 11 11 A G G <> S+ 0 0 0 -3,-0.7 4,-2.2 53,-0.4 -1,-0.2 0.306 91.4 103.0-114.2 6.3 -24.9 43.0 41.2 12 12 A Y H <> S+ 0 0 48 -3,-0.6 4,-1.9 -4,-0.4 -2,-0.1 0.870 79.9 45.0 -62.8 -44.4 -25.6 46.7 40.9 13 13 A N H > S+ 0 0 52 -4,-0.4 4,-2.1 2,-0.2 -1,-0.2 0.885 115.4 47.2 -70.5 -38.7 -25.1 47.8 44.6 14 14 A L H > S+ 0 0 10 2,-0.2 4,-2.8 1,-0.2 5,-0.2 0.917 109.1 56.8 -68.2 -40.5 -21.8 45.8 45.0 15 15 A K H X S+ 0 0 1 -4,-2.2 4,-2.7 2,-0.2 -2,-0.2 0.922 105.4 50.5 -53.4 -45.8 -20.7 47.3 41.5 16 16 A R H X S+ 0 0 114 -4,-1.9 4,-2.3 1,-0.2 -1,-0.2 0.948 112.3 47.8 -60.5 -46.2 -21.1 50.8 43.0 17 17 A E H X S+ 0 0 65 -4,-2.1 4,-2.2 1,-0.2 -2,-0.2 0.877 113.6 45.5 -60.3 -42.2 -19.0 49.8 46.0 18 18 A I H X S+ 0 0 1 -4,-2.8 4,-2.7 2,-0.2 -1,-0.2 0.881 109.8 54.7 -70.4 -40.6 -16.3 48.2 43.9 19 19 A A H X S+ 0 0 7 -4,-2.7 4,-2.4 -5,-0.2 -2,-0.2 0.968 111.9 45.8 -51.8 -53.9 -16.2 51.2 41.4 20 20 A D H X S+ 0 0 79 -4,-2.3 4,-2.2 1,-0.2 -2,-0.2 0.894 112.7 50.3 -56.7 -48.9 -15.6 53.5 44.4 21 21 A F H X S+ 0 0 32 -4,-2.2 4,-0.8 1,-0.2 -1,-0.2 0.871 112.0 47.4 -53.9 -46.1 -13.0 51.2 45.9 22 22 A L H <>S+ 0 0 0 -4,-2.7 5,-2.3 2,-0.2 3,-0.5 0.917 110.7 49.8 -67.0 -44.0 -11.1 51.0 42.6 23 23 A K H ><5S+ 0 0 121 -4,-2.4 3,-3.9 1,-0.2 -2,-0.2 0.971 106.1 57.1 -59.7 -53.7 -11.1 54.9 42.0 24 24 A K H 3<5S+ 0 0 164 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.754 106.6 51.2 -43.4 -32.3 -9.8 55.5 45.5 25 25 A R T 3<5S- 0 0 136 -4,-0.8 -1,-0.3 -3,-0.5 -2,-0.2 0.373 123.8-108.6 -92.4 5.0 -6.9 53.2 44.6 26 26 A G T < 5 + 0 0 67 -3,-3.9 2,-0.2 1,-0.3 -3,-0.2 0.693 69.2 142.4 79.4 20.4 -6.3 55.3 41.4 27 27 A Y < - 0 0 51 -5,-2.3 2,-0.5 -25,-0.0 -1,-0.3 -0.635 55.0-118.5 -83.7 152.1 -7.5 52.8 38.8 28 28 A E E -a 2 0A 107 -27,-1.4 -25,-2.7 -2,-0.2 2,-0.5 -0.815 33.7-156.5 -85.7 130.8 -9.3 54.1 35.8 29 29 A V E -a 3 0A 26 -2,-0.5 2,-0.6 -27,-0.2 -25,-0.2 -0.924 15.9-166.2-118.0 126.0 -12.8 52.6 35.8 30 30 A I E -a 4 0A 42 -27,-2.2 -25,-2.5 -2,-0.5 2,-0.7 -0.938 14.9-155.5-107.7 111.1 -15.1 52.1 32.9 31 31 A D E -a 5 0A 62 -2,-0.6 -25,-0.2 -27,-0.2 3,-0.1 -0.768 11.9-174.7 -89.3 112.8 -18.7 51.4 34.2 32 32 A F - 0 0 38 -27,-3.3 -26,-0.1 -2,-0.7 -1,-0.1 0.271 42.4-142.4 -88.8 13.4 -20.7 49.5 31.5 33 33 A G - 0 0 0 1,-0.3 -26,-1.7 -28,-0.2 -1,-0.3 -0.150 64.0-172.7 79.0 179.7 -24.0 49.5 33.5 34 34 A T - 0 0 13 -28,-0.3 -1,-0.3 2,-0.1 -26,-0.1 0.455 39.2-164.8 -72.5 171.0 -26.4 48.5 34.5 35 35 A H + 0 0 128 -2,-0.2 2,-0.3 -3,-0.1 -27,-0.0 0.318 57.4 8.9-117.4 6.2 -27.2 51.8 36.0 36 36 A G S S- 0 0 8 2,-0.2 -24,-0.1 0, 0.0 -2,-0.1 -0.901 84.1 -82.9-160.2-163.8 -30.1 51.0 38.4 37 37 A N S S+ 0 0 100 -2,-0.3 3,-0.1 -25,-0.1 -28,-0.1 0.423 77.6 125.1 -94.2 -2.6 -32.2 48.4 40.2 38 38 A E S S- 0 0 136 1,-0.1 -2,-0.2 -30,-0.0 -29,-0.1 -0.319 78.1 -94.3 -52.2 139.3 -34.6 47.9 37.2 39 39 A S + 0 0 82 -30,-0.1 2,-0.3 -31,-0.1 -1,-0.1 -0.331 59.3 165.8 -64.0 124.9 -34.6 44.3 36.2 40 40 A V - 0 0 33 -3,-0.1 2,-0.6 -2,-0.1 -31,-0.2 -0.870 39.3 -96.0-137.5 176.4 -32.1 43.5 33.3 41 41 A D >> - 0 0 32 -2,-0.3 3,-1.2 1,-0.1 4,-0.8 -0.861 21.3-146.7-106.0 116.9 -30.4 40.6 31.6 42 42 A Y H 3> S+ 0 0 9 -2,-0.6 4,-2.2 1,-0.2 3,-0.2 0.785 92.6 65.7 -53.9 -32.4 -26.9 39.6 32.9 43 43 A P H 3> S+ 0 0 1 0, 0.0 4,-2.9 0, 0.0 -1,-0.2 0.899 96.4 56.2 -60.8 -32.9 -25.7 38.4 29.4 44 44 A D H <> S+ 0 0 60 -3,-1.2 4,-1.9 1,-0.2 -2,-0.2 0.908 113.8 38.8 -64.1 -40.5 -25.8 41.9 27.9 45 45 A F H X S+ 0 0 25 -4,-0.8 4,-1.9 -3,-0.2 -1,-0.2 0.846 113.1 55.2 -81.1 -35.1 -23.5 43.4 30.6 46 46 A G H X S+ 0 0 0 -4,-2.2 4,-2.8 2,-0.2 -2,-0.2 0.928 109.8 49.2 -57.6 -48.2 -21.3 40.3 30.7 47 47 A L H X S+ 0 0 36 -4,-2.9 4,-3.2 -5,-0.2 5,-0.3 0.928 107.3 52.9 -58.4 -49.0 -20.8 40.8 26.9 48 48 A K H X S+ 0 0 98 -4,-1.9 4,-2.0 2,-0.2 -1,-0.2 0.925 114.5 41.8 -54.4 -47.3 -20.0 44.5 27.2 49 49 A V H X S+ 0 0 0 -4,-1.9 4,-2.0 2,-0.2 5,-0.2 0.953 115.8 49.5 -67.8 -45.0 -17.2 43.9 29.8 50 50 A A H X S+ 0 0 0 -4,-2.8 4,-2.5 1,-0.2 -2,-0.2 0.913 111.9 47.4 -61.9 -45.8 -15.9 40.9 28.0 51 51 A E H X S+ 0 0 51 -4,-3.2 4,-2.1 1,-0.2 6,-0.3 0.834 110.2 53.5 -65.0 -31.8 -15.8 42.7 24.6 52 52 A A H <>S+ 0 0 3 -4,-2.0 6,-2.0 -5,-0.3 5,-0.8 0.853 111.3 45.6 -70.1 -30.5 -14.0 45.7 26.2 53 53 A V H ><5S+ 0 0 16 -4,-2.0 3,-0.9 4,-0.2 -2,-0.2 0.902 112.9 50.6 -75.9 -42.0 -11.4 43.4 27.6 54 54 A K H 3<5S+ 0 0 103 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.870 111.3 48.0 -59.4 -38.2 -11.0 41.6 24.3 55 55 A S T 3<5S- 0 0 82 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.448 112.0-118.7 -88.0 0.1 -10.6 44.8 22.4 56 56 A G T < 5S+ 0 0 49 -3,-0.9 -3,-0.2 2,-0.3 -4,-0.1 0.468 82.7 121.0 77.2 -0.4 -8.0 46.1 24.8 57 57 A E S S+ 0 0 0 38,-0.3 4,-1.0 17,-0.1 5,-0.1 0.303 86.9 104.3 84.5 -8.7 -21.6 35.6 39.6 69 69 A L H > S+ 0 0 1 2,-0.2 4,-2.4 3,-0.1 5,-0.2 0.974 75.3 41.8 -77.3 -51.7 -22.6 32.4 37.6 70 70 A G H > S+ 0 0 0 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.930 116.3 47.0 -64.9 -46.3 -24.7 33.6 34.7 71 71 A I H > S+ 0 0 0 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.806 114.2 48.1 -67.8 -29.3 -22.6 36.7 33.9 72 72 A S H X S+ 0 0 3 -4,-1.0 4,-2.2 2,-0.2 11,-0.3 0.836 109.6 51.8 -80.5 -35.2 -19.3 34.7 34.0 73 73 A I H < S+ 0 0 1 -4,-2.4 4,-0.4 2,-0.2 -2,-0.2 0.947 113.3 45.6 -62.5 -44.4 -20.7 31.9 31.8 74 74 A A H >< S+ 0 0 0 -4,-2.4 3,-1.5 -5,-0.2 4,-0.4 0.924 111.7 51.5 -62.4 -49.9 -21.8 34.5 29.3 75 75 A A H >< S+ 0 0 0 -4,-2.3 3,-2.0 1,-0.3 -1,-0.2 0.932 105.2 58.2 -50.9 -44.4 -18.4 36.4 29.5 76 76 A N T 3< S+ 0 0 1 -4,-2.2 -1,-0.3 1,-0.3 -2,-0.2 0.568 87.9 73.6 -67.8 -12.9 -16.6 33.0 28.9 77 77 A K T < S+ 0 0 14 -3,-1.5 -1,-0.3 -4,-0.4 -2,-0.2 0.663 80.3 90.0 -72.2 -19.3 -18.4 32.6 25.6 78 78 A V S X S- 0 0 0 -3,-2.0 3,-1.9 -4,-0.4 66,-0.1 -0.696 89.2-115.2 -80.4 128.3 -16.1 35.2 24.2 79 79 A P T 3 S+ 0 0 29 0, 0.0 3,-0.1 0, 0.0 -2,-0.1 -0.321 101.9 23.7 -62.5 135.9 -12.8 33.9 22.6 80 80 A G T 3 S+ 0 0 20 1,-0.3 2,-0.4 -4,-0.1 -4,-0.1 0.412 97.8 114.6 87.0 -5.3 -9.8 35.2 24.7 81 81 A I < - 0 0 0 -3,-1.9 2,-0.5 -6,-0.2 -1,-0.3 -0.822 40.3-176.4-103.5 138.1 -11.9 35.7 27.9 82 82 A R - 0 0 29 -2,-0.4 21,-1.9 18,-0.1 20,-1.2 -0.904 10.9-171.4-132.6 97.4 -11.3 33.7 31.0 83 83 A A E -d 103 0A 2 -2,-0.5 2,-0.6 -11,-0.3 21,-0.2 -0.868 4.6-160.1-102.1 125.9 -13.8 34.7 33.6 84 84 A A E -d 104 0A 0 19,-3.0 21,-3.2 -2,-0.5 2,-0.8 -0.875 9.3-150.2-109.9 114.7 -13.3 33.4 37.1 85 85 A V E -d 105 0A 5 -2,-0.6 2,-0.4 19,-0.2 21,-0.2 -0.752 26.9-174.7 -83.3 114.3 -16.2 33.2 39.7 86 86 A C + 0 0 1 19,-2.0 21,-0.3 -2,-0.8 3,-0.1 -0.927 29.5 175.3-115.6 137.4 -14.5 33.6 43.1 87 87 A T S S+ 0 0 17 -2,-0.4 2,-0.3 1,-0.1 -1,-0.1 0.314 76.5 27.9-116.1 3.2 -16.0 33.3 46.5 88 88 A N S > S- 0 0 49 1,-0.1 4,-1.7 31,-0.1 -1,-0.1 -0.965 82.7-107.9-154.8 164.4 -12.7 33.7 48.4 89 89 A S H > S+ 0 0 29 -2,-0.3 4,-3.0 2,-0.2 5,-0.2 0.812 114.4 63.0 -63.7 -35.9 -9.1 35.2 48.0 90 90 A Y H > S+ 0 0 74 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.950 106.8 42.8 -54.5 -49.6 -7.5 31.9 47.5 91 91 A M H > S+ 0 0 1 2,-0.2 4,-2.5 1,-0.2 -2,-0.2 0.916 112.4 54.7 -64.2 -40.9 -9.6 31.3 44.3 92 92 A A H X S+ 0 0 0 -4,-1.7 4,-1.2 2,-0.2 -2,-0.2 0.939 110.4 45.5 -59.4 -42.2 -9.0 34.9 43.2 93 93 A R H >X S+ 0 0 98 -4,-3.0 4,-3.0 1,-0.2 3,-0.6 0.944 114.9 46.6 -66.4 -48.8 -5.2 34.3 43.5 94 94 A M H 3X>S+ 0 0 14 -4,-2.6 4,-2.6 1,-0.2 5,-1.2 0.840 103.8 61.4 -62.5 -30.9 -5.2 31.0 41.7 95 95 A S H 3<5S+ 0 0 0 -4,-2.5 6,-3.1 -5,-0.2 4,-0.3 0.870 114.7 36.2 -69.6 -30.3 -7.4 32.3 39.0 96 96 A R H > -c 65 0A 3 -40,-0.4 4,-2.4 -2,-0.3 3,-1.8 -0.930 3.4-159.4-119.3 115.1 -22.1 37.3 43.4 108 108 A E T 34 S+ 0 0 55 -43,-2.5 -42,-0.2 -2,-0.6 -41,-0.1 0.757 95.2 50.5 -58.9 -28.1 -23.6 40.1 45.4 109 109 A R T 34 S+ 0 0 135 -43,-2.5 -1,-0.3 -44,-0.3 -42,-0.1 0.469 115.9 42.4 -87.8 -3.4 -26.0 37.6 47.1 110 110 A V T <4 S+ 0 0 38 -3,-1.8 2,-0.4 -44,-0.6 -2,-0.2 0.798 111.9 42.5-111.0 -47.8 -23.2 35.2 48.0 111 111 A V S < S- 0 0 7 -4,-2.4 -1,-0.3 2,-0.0 -23,-0.1 -0.872 78.8-127.7-109.5 134.9 -20.2 37.3 49.3 112 112 A G > - 0 0 50 -2,-0.4 4,-2.5 -3,-0.1 5,-0.2 -0.257 35.5 -95.7 -71.4 171.2 -20.6 40.3 51.7 113 113 A L H > S+ 0 0 64 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.933 119.7 44.6 -62.3 -50.4 -19.0 43.6 50.9 114 114 A D H > S+ 0 0 123 1,-0.3 4,-2.1 2,-0.2 -1,-0.2 0.856 114.0 50.0 -70.1 -34.3 -15.8 43.3 52.8 115 115 A L H > S+ 0 0 80 2,-0.2 4,-2.2 1,-0.2 -1,-0.3 0.904 110.1 50.9 -62.1 -42.4 -15.1 39.8 51.6 116 116 A A H X S+ 0 0 0 -4,-2.5 4,-2.7 2,-0.2 -2,-0.2 0.912 109.7 50.0 -65.2 -40.9 -15.8 40.9 48.1 117 117 A L H X S+ 0 0 34 -4,-2.6 4,-2.8 1,-0.2 5,-0.2 0.893 109.2 53.0 -62.7 -36.9 -13.3 43.8 48.4 118 118 A D H X S+ 0 0 96 -4,-2.1 4,-2.6 -5,-0.2 -1,-0.2 0.918 110.3 46.9 -59.4 -44.6 -10.7 41.4 49.8 119 119 A I H X S+ 0 0 0 -4,-2.2 4,-2.4 2,-0.2 -2,-0.2 0.916 112.6 48.6 -63.7 -45.1 -11.2 39.2 46.8 120 120 A V H X S+ 0 0 0 -4,-2.7 4,-3.0 2,-0.2 5,-0.2 0.954 111.7 50.4 -59.6 -48.9 -10.9 42.1 44.4 121 121 A D H X S+ 0 0 37 -4,-2.8 4,-1.3 1,-0.2 -2,-0.2 0.948 113.5 45.5 -51.1 -54.7 -7.7 43.3 46.1 122 122 A T H X S+ 0 0 20 -4,-2.6 4,-1.2 -5,-0.2 -1,-0.2 0.898 113.7 48.9 -56.7 -43.2 -6.2 39.8 45.9 123 123 A W H < S+ 0 0 0 -4,-2.4 3,-0.4 1,-0.2 -2,-0.2 0.905 108.4 52.4 -68.6 -42.9 -7.2 39.4 42.3 124 124 A L H < S+ 0 0 13 -4,-3.0 -1,-0.2 1,-0.2 -2,-0.2 0.790 115.3 42.7 -64.3 -25.6 -5.8 42.8 41.1 125 125 A K H < S+ 0 0 129 -4,-1.3 -1,-0.2 -5,-0.2 -2,-0.2 0.611 90.6 98.9 -95.4 -19.3 -2.4 42.0 42.7 126 126 A A < - 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0 0 9 56,-1.3 3,-1.0 -2,-0.3 4,-0.4 -0.326 57.9 -84.7 -88.7-170.9 -7.4 16.7 36.3 158 9 B H G > S+ 0 0 37 1,-0.2 3,-0.8 31,-0.2 4,-0.4 0.864 131.6 63.6 -61.7 -36.7 -4.9 15.3 38.9 159 10 B G G 3 S+ 0 0 4 1,-0.2 55,-0.2 30,-0.2 -1,-0.2 0.724 114.9 30.4 -53.7 -24.0 -6.0 18.3 41.2 160 11 B G G <> S+ 0 0 0 -3,-1.0 4,-2.4 53,-0.4 -1,-0.2 0.285 90.7 104.0-121.1 8.4 -9.6 16.8 41.2 161 12 B Y H <> S+ 0 0 48 -3,-0.8 4,-2.1 -4,-0.4 5,-0.1 0.884 80.5 44.5 -63.5 -44.6 -8.9 13.1 41.0 162 13 B N H > S+ 0 0 54 -4,-0.4 4,-2.1 2,-0.2 -1,-0.2 0.898 115.7 47.4 -71.6 -37.9 -9.5 12.0 44.6 163 14 B L H > S+ 0 0 9 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.905 108.9 56.8 -67.0 -41.3 -12.7 14.0 44.9 164 15 B K H X S+ 0 0 1 -4,-2.4 4,-2.7 2,-0.2 -2,-0.2 0.933 105.1 50.5 -54.3 -44.7 -13.8 12.6 41.6 165 16 B R H X S+ 0 0 117 -4,-2.1 4,-2.4 1,-0.2 -2,-0.2 0.948 112.3 48.2 -60.9 -43.6 -13.4 9.0 43.0 166 17 B E H X S+ 0 0 64 -4,-2.1 4,-2.2 1,-0.2 -1,-0.2 0.883 113.3 45.6 -63.5 -41.6 -15.5 10.0 46.0 167 18 B I H X S+ 0 0 0 -4,-2.7 4,-2.5 2,-0.2 -1,-0.2 0.882 109.9 53.9 -68.5 -41.2 -18.3 11.6 43.9 168 19 B A H X S+ 0 0 6 -4,-2.7 4,-2.4 -5,-0.2 -2,-0.2 0.970 112.0 47.3 -53.6 -51.9 -18.4 8.7 41.4 169 20 B D H X S+ 0 0 80 -4,-2.4 4,-2.2 1,-0.2 -2,-0.2 0.885 112.5 48.3 -56.3 -49.4 -18.9 6.4 44.5 170 21 B F H < S+ 0 0 29 -4,-2.2 4,-0.5 1,-0.2 -1,-0.2 0.849 112.0 49.0 -55.0 -46.5 -21.6 8.6 45.9 171 22 B L H ><>S+ 0 0 0 -4,-2.5 5,-2.3 2,-0.2 3,-0.8 0.913 110.8 49.0 -67.0 -43.9 -23.5 8.9 42.6 172 23 B K H ><5S+ 0 0 122 -4,-2.4 3,-3.9 1,-0.2 -2,-0.2 0.971 105.3 58.4 -61.0 -50.8 -23.5 5.1 42.0 173 24 B K T 3<5S+ 0 0 163 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.689 106.6 50.8 -47.8 -21.8 -24.8 4.4 45.6 174 25 B R T < 5S- 0 0 122 -3,-0.8 -1,-0.3 -4,-0.5 -2,-0.2 0.352 124.6-105.1-102.4 6.2 -27.7 6.6 44.5 175 26 B G T < 5 + 0 0 70 -3,-3.9 2,-0.3 1,-0.3 -3,-0.2 0.683 69.9 144.1 80.3 20.2 -28.4 4.6 41.4 176 27 B Y < - 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