==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=6-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER STRUCTURAL GENOMICS, ISOMERASE 10-JAN-02 1KS2 . COMPND 2 MOLECULE: PROTEIN EC1268, RPIA; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR R.ZHANG,A.JOACHIMIAK,A.M.EDWARDS,T.SKARINA,A.SAVCHENKO, . 436 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17992.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 316 72.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 47 10.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 62 14.2 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 . 4 0.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.5 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 . 38 8.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 54 12.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 97 22.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 0.9 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 0 0 4 5 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 3 0 2 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 0 PARALLEL BRIDGES PER LADDER . 2 4 2 2 2 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 ANTIPARALLEL BRIDGES PER LADDER . 0 0 4 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 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 T 0 0 87 0, 0.0 2,-0.2 0, 0.0 116,-0.0 0.000 360.0 360.0 360.0-170.6 0.2 23.1 54.8 2 3 A Q > - 0 0 119 1,-0.1 4,-1.9 0, 0.0 3,-0.3 -0.517 360.0-108.7 -96.4 167.4 1.5 20.5 52.3 3 4 A D H > S+ 0 0 92 1,-0.2 4,-2.4 2,-0.2 5,-0.1 0.827 117.9 58.5 -62.8 -32.0 4.7 20.6 50.3 4 5 A E H > S+ 0 0 110 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.868 105.4 47.8 -66.9 -37.1 2.6 21.2 47.1 5 6 A L H > S+ 0 0 32 -3,-0.3 4,-2.2 2,-0.2 -1,-0.2 0.915 112.6 49.6 -69.1 -41.6 1.1 24.4 48.5 6 7 A K H X S+ 0 0 31 -4,-1.9 4,-3.1 1,-0.2 -2,-0.2 0.897 109.4 52.3 -62.5 -40.7 4.5 25.6 49.6 7 8 A K H X S+ 0 0 88 -4,-2.4 4,-2.5 1,-0.2 5,-0.2 0.929 108.7 49.9 -61.1 -45.9 5.9 24.9 46.2 8 9 A A H X S+ 0 0 46 -4,-2.1 4,-1.7 1,-0.2 -1,-0.2 0.907 113.2 46.7 -58.9 -43.9 3.1 26.9 44.5 9 10 A V H X S+ 0 0 7 -4,-2.2 4,-1.4 2,-0.2 -2,-0.2 0.937 110.9 51.4 -64.5 -48.3 3.8 29.8 46.9 10 11 A G H < S+ 0 0 0 -4,-3.1 4,-0.4 1,-0.2 3,-0.3 0.908 113.4 44.1 -56.6 -45.0 7.5 29.6 46.3 11 12 A W H >< S+ 0 0 102 -4,-2.5 3,-1.0 1,-0.2 4,-0.3 0.809 106.6 61.1 -71.3 -28.8 7.1 29.7 42.5 12 13 A A H >< S+ 0 0 20 -4,-1.7 3,-1.3 1,-0.2 -1,-0.2 0.813 94.9 63.3 -67.0 -28.8 4.5 32.4 42.7 13 14 A A G >< S+ 0 0 0 -4,-1.4 3,-1.9 -3,-0.3 -1,-0.2 0.726 84.1 77.6 -68.1 -20.2 7.1 34.7 44.3 14 15 A L G X S+ 0 0 26 -3,-1.0 3,-1.6 -4,-0.4 -1,-0.3 0.769 78.8 71.0 -61.2 -24.9 9.2 34.5 41.1 15 16 A Q G < S+ 0 0 141 -3,-1.3 -1,-0.3 -4,-0.3 -2,-0.2 0.644 92.7 57.6 -68.0 -12.2 6.8 37.0 39.5 16 17 A Y G < S+ 0 0 43 -3,-1.9 2,-0.6 -4,-0.1 -1,-0.3 0.459 80.4 105.7 -96.4 -1.7 8.3 39.7 41.8 17 18 A V < - 0 0 10 -3,-1.6 6,-0.1 -4,-0.2 -3,-0.0 -0.708 59.8-153.5 -83.9 116.0 11.8 39.2 40.5 18 19 A Q > - 0 0 128 -2,-0.6 3,-1.4 4,-0.1 58,-0.1 -0.745 24.7-106.5 -91.3 132.6 12.9 42.0 38.2 19 20 A P T 3 S+ 0 0 77 0, 0.0 26,-0.2 0, 0.0 3,-0.1 -0.237 102.3 24.7 -56.9 142.8 15.5 41.3 35.6 20 21 A G T 3 S+ 0 0 64 24,-4.1 25,-0.2 1,-0.3 2,-0.2 0.512 100.4 110.8 82.1 4.7 19.0 42.8 36.3 21 22 A T < - 0 0 25 -3,-1.4 25,-2.3 23,-0.4 26,-0.9 -0.505 69.6-114.4-105.6 175.9 18.5 43.0 40.0 22 23 A I E -a 47 0A 27 52,-0.2 54,-1.9 24,-0.2 55,-0.5 -0.944 33.2-137.4-110.6 131.4 19.9 41.2 43.0 23 24 A V E -a 48 0A 0 24,-2.3 26,-2.4 -2,-0.5 2,-0.5 -0.782 0.7-139.8 -99.2 131.6 17.5 39.0 45.0 24 25 A G E -ab 49 78A 0 53,-2.8 55,-2.3 -2,-0.4 2,-0.5 -0.758 25.3-159.0 -85.8 124.5 17.2 38.8 48.7 25 26 A V E -ab 50 79A 0 24,-3.1 26,-2.1 -2,-0.5 27,-0.2 -0.921 6.6-163.4-115.7 127.3 16.6 35.1 49.7 26 27 A G - 0 0 0 53,-2.5 2,-0.3 -2,-0.5 26,-0.2 0.128 20.9-106.3 -84.6-158.4 15.1 33.9 52.9 27 28 A T + 0 0 48 24,-0.1 54,-0.5 23,-0.1 4,-0.2 -0.902 59.3 68.0-135.1 161.5 15.1 30.4 54.5 28 29 A G S > S- 0 0 42 -2,-0.3 4,-2.1 1,-0.2 5,-0.1 -0.495 89.0 -60.8 118.7 171.3 12.7 27.5 55.1 29 30 A S H > S+ 0 0 76 1,-0.2 4,-1.3 2,-0.2 -1,-0.2 0.888 133.3 45.4 -58.0 -44.7 10.8 24.9 53.0 30 31 A T H > S+ 0 0 12 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.902 111.6 52.5 -68.1 -40.1 8.9 27.5 51.0 31 32 A A H > S+ 0 0 1 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.862 104.2 58.0 -63.0 -34.7 12.0 29.6 50.4 32 33 A A H X S+ 0 0 33 -4,-2.1 4,-1.6 1,-0.2 -1,-0.2 0.886 105.5 49.5 -62.4 -38.4 13.7 26.5 49.2 33 34 A H H X S+ 0 0 21 -4,-1.3 4,-2.0 1,-0.2 -1,-0.2 0.887 108.1 53.4 -67.5 -38.4 11.0 26.1 46.5 34 35 A F H X S+ 0 0 0 -4,-1.9 4,-2.9 1,-0.2 -2,-0.2 0.875 105.1 55.2 -63.2 -36.8 11.5 29.8 45.6 35 36 A I H X S+ 0 0 1 -4,-2.1 4,-1.5 2,-0.2 -1,-0.2 0.899 105.1 51.9 -64.2 -39.6 15.2 29.1 45.1 36 37 A D H X S+ 0 0 58 -4,-1.6 4,-0.7 1,-0.2 3,-0.4 0.936 112.2 47.0 -59.9 -44.9 14.4 26.3 42.7 37 38 A A H >< S+ 0 0 0 -4,-2.0 3,-1.4 1,-0.2 4,-0.4 0.911 107.1 56.4 -62.0 -43.4 12.2 28.8 40.8 38 39 A L H >< S+ 0 0 0 -4,-2.9 3,-1.4 1,-0.3 -1,-0.2 0.796 95.8 66.7 -60.7 -27.9 14.9 31.4 40.9 39 40 A G H >< S+ 0 0 11 -4,-1.5 3,-1.2 -3,-0.4 -1,-0.3 0.823 93.9 58.0 -62.9 -30.2 17.2 28.9 39.2 40 41 A T T << S+ 0 0 87 -3,-1.4 -1,-0.3 -4,-0.7 -2,-0.2 0.635 109.9 44.9 -74.4 -13.3 15.1 29.2 36.1 41 42 A X T X> S+ 0 0 33 -3,-1.4 3,-2.5 -4,-0.4 4,-0.8 0.139 72.3 118.4-113.8 16.8 15.8 32.9 36.1 42 43 A K T <4 S+ 0 0 112 -3,-1.2 3,-0.4 1,-0.3 23,-0.1 0.791 75.6 58.0 -53.9 -26.9 19.5 32.7 36.7 43 44 A G T 34 S+ 0 0 65 1,-0.2 -1,-0.3 -3,-0.2 -2,-0.1 0.584 106.0 46.9 -81.1 -10.6 19.9 34.4 33.3 44 45 A Q T <4 S+ 0 0 87 -3,-2.5 -24,-4.1 -25,-0.1 -23,-0.4 0.442 103.7 69.0-108.6 -3.1 17.9 37.4 34.3 45 46 A I < - 0 0 19 -4,-0.8 -23,-0.2 -3,-0.4 3,-0.1 -0.841 66.4-142.6-118.7 156.5 19.4 38.2 37.7 46 47 A E - 0 0 120 -25,-2.3 2,-0.3 -2,-0.3 -24,-0.2 0.784 69.7 -78.1 -82.1 -29.7 22.8 39.5 38.8 47 48 A G E -a 22 0A 1 -26,-0.9 -24,-2.3 17,-0.1 -1,-0.3 -0.986 47.8 -92.5 161.8-158.8 22.8 37.3 41.8 48 49 A A E -ac 23 66A 0 17,-2.4 19,-3.2 -2,-0.3 2,-0.4 -0.944 9.5-135.6-148.2 166.0 21.4 37.0 45.3 49 50 A V E -a 24 0A 4 -26,-2.4 -24,-3.1 -2,-0.3 2,-0.3 -0.999 31.6-146.9-124.6 127.8 22.0 37.8 49.0 50 51 A S E -a 25 0A 2 17,-0.5 -24,-0.2 -2,-0.4 19,-0.1 -0.795 19.8-156.5-107.2 142.9 21.2 34.9 51.4 51 52 A S S S+ 0 0 0 -26,-2.1 2,-0.3 -2,-0.3 51,-0.2 0.460 80.6 26.0 -89.5 -3.2 19.9 34.8 54.9 52 53 A S S > S- 0 0 19 -27,-0.2 4,-2.2 -26,-0.2 5,-0.1 -0.996 72.4-118.5-157.3 158.9 21.3 31.4 55.7 53 54 A D H > S+ 0 0 131 -2,-0.3 4,-2.7 2,-0.2 5,-0.2 0.865 114.8 58.0 -65.7 -35.3 24.0 28.9 54.9 54 55 A A H > S+ 0 0 71 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.939 110.8 40.7 -59.5 -49.1 21.3 26.5 53.8 55 56 A S H > S+ 0 0 6 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.861 113.2 55.4 -68.5 -35.8 19.9 28.9 51.2 56 57 A T H X S+ 0 0 22 -4,-2.2 4,-2.2 1,-0.2 -2,-0.2 0.915 107.4 49.4 -63.4 -42.6 23.4 29.9 50.2 57 58 A E H X S+ 0 0 130 -4,-2.7 4,-1.7 1,-0.2 -1,-0.2 0.907 113.4 46.1 -64.4 -41.1 24.4 26.3 49.5 58 59 A K H X S+ 0 0 60 -4,-1.7 4,-1.0 2,-0.2 -2,-0.2 0.892 109.9 52.9 -70.1 -39.1 21.3 25.8 47.4 59 60 A L H ><>S+ 0 0 0 -4,-2.6 5,-2.4 1,-0.2 3,-0.8 0.933 111.9 46.8 -60.0 -44.3 21.7 29.0 45.5 60 61 A K H ><5S+ 0 0 108 -4,-2.2 3,-1.8 1,-0.2 -1,-0.2 0.838 104.0 61.1 -66.2 -34.0 25.2 28.0 44.6 61 62 A S H 3<5S+ 0 0 85 -4,-1.7 -1,-0.2 1,-0.3 -2,-0.2 0.753 106.7 47.9 -65.2 -22.2 24.1 24.5 43.6 62 63 A L T <<5S- 0 0 42 -4,-1.0 -1,-0.3 -3,-0.8 -2,-0.2 0.262 122.7-106.1-100.8 9.5 22.0 26.2 40.9 63 64 A G T < 5S+ 0 0 60 -3,-1.8 2,-0.5 1,-0.2 -3,-0.2 0.695 70.4 144.6 76.3 19.6 24.8 28.4 39.7 64 65 A I < - 0 0 8 -5,-2.4 2,-0.3 -6,-0.2 -1,-0.2 -0.792 50.8-122.6 -94.5 130.9 23.5 31.6 41.2 65 66 A H - 0 0 109 -2,-0.5 -17,-2.4 -19,-0.2 2,-0.6 -0.532 21.4-148.2 -73.3 132.1 26.2 34.0 42.5 66 67 A V B -c 48 0A 22 -2,-0.3 -17,-0.2 -19,-0.2 2,-0.2 -0.913 12.1-158.3-107.6 118.8 25.8 34.9 46.2 67 68 A F - 0 0 34 -19,-3.2 -17,-0.5 -2,-0.6 2,-0.3 -0.552 20.1-118.7 -90.9 155.8 26.9 38.4 47.2 68 69 A D > - 0 0 112 -2,-0.2 3,-1.7 1,-0.1 4,-0.4 -0.694 33.8-116.9 -85.9 148.4 27.9 39.6 50.7 69 70 A L G > S+ 0 0 9 -2,-0.3 3,-1.8 1,-0.3 -1,-0.1 0.866 113.6 60.6 -57.4 -37.5 25.5 42.3 51.7 70 71 A N G 3 S+ 0 0 46 1,-0.3 -1,-0.3 289,-0.1 287,-0.0 0.673 97.4 62.4 -64.1 -15.1 28.2 44.9 51.9 71 72 A E G < S+ 0 0 115 -3,-1.7 2,-0.3 2,-0.0 -1,-0.3 0.601 99.6 63.9 -85.5 -12.2 28.9 44.3 48.2 72 73 A V < - 0 0 4 -3,-1.8 3,-0.1 -4,-0.4 287,-0.0 -0.805 55.9-163.7-115.1 155.8 25.4 45.5 47.2 73 74 A D S S+ 0 0 122 1,-0.3 2,-0.3 -2,-0.3 -1,-0.1 0.526 78.2 7.7-109.5 -11.9 23.6 48.8 47.4 74 75 A S - 0 0 55 -5,-0.1 2,-0.4 3,-0.0 -1,-0.3 -0.970 54.4-149.7-167.8 151.0 20.1 47.5 46.9 75 76 A L E - d 0 109A 0 33,-1.6 35,-2.4 -2,-0.3 36,-0.2 -0.983 16.4-143.0-125.2 136.6 18.0 44.4 46.6 76 77 A G E S- 0 0 18 -54,-1.9 35,-1.4 -2,-0.4 2,-0.3 0.965 80.3 -11.4 -63.3 -52.4 14.8 44.3 44.5 77 78 A I E - d 0 111A 4 -55,-0.5 -53,-2.8 33,-0.2 2,-0.4 -0.920 53.6-141.0-143.1 166.7 12.9 42.1 46.9 78 79 A Y E -bd 24 112A 0 33,-1.9 35,-3.1 -2,-0.3 2,-0.6 -0.986 19.4-161.2-131.1 118.9 13.5 39.9 49.9 79 80 A V E +bd 25 113A 0 -55,-2.3 -53,-2.5 -2,-0.4 2,-0.3 -0.914 32.9 128.3-107.3 115.6 11.5 36.7 49.9 80 81 A D E - d 0 114A 5 33,-1.8 35,-2.2 -2,-0.6 36,-0.4 -0.976 46.7-118.2-159.2 165.5 11.1 35.1 53.3 81 82 A G - 0 0 14 -54,-0.5 2,-0.3 -2,-0.3 35,-0.1 -0.001 24.5-144.9 -92.3-157.0 8.5 33.6 55.7 82 83 A A - 0 0 6 1,-0.1 35,-0.2 11,-0.1 11,-0.2 -0.977 24.8-126.2-165.5 161.9 7.6 34.7 59.3 83 84 A D S S+ 0 0 36 9,-2.4 2,-0.3 1,-0.4 10,-0.2 0.799 99.9 1.0 -84.2 -30.1 6.5 33.3 62.6 84 85 A E E -G 92 0B 7 8,-1.6 8,-1.9 -3,-0.1 -1,-0.4 -0.988 59.7-174.6-154.6 149.1 3.5 35.7 62.6 85 86 A I E -Gh 91 121B 7 35,-2.0 37,-2.3 -2,-0.3 6,-0.2 -0.966 14.8-155.6-147.2 128.0 2.0 38.3 60.3 86 87 A N > - 0 0 12 4,-2.5 3,-1.7 -2,-0.3 37,-0.2 -0.294 38.7 -88.4 -96.6-175.2 -1.0 40.5 61.1 87 88 A G T 3 S+ 0 0 69 36,-0.3 36,-0.1 35,-0.3 37,-0.1 0.643 125.7 57.8 -67.6 -15.6 -3.5 42.3 59.0 88 89 A H T 3 S- 0 0 151 35,-0.2 -1,-0.3 2,-0.1 3,-0.1 0.272 118.5-110.9 -96.6 9.5 -1.3 45.4 58.9 89 90 A X S < S+ 0 0 13 -3,-1.7 113,-2.8 1,-0.3 2,-0.3 0.598 72.4 142.0 72.0 12.5 1.5 43.3 57.3 90 91 A Q - 0 0 21 111,-0.2 -4,-2.5 106,-0.0 2,-0.3 -0.639 33.2-158.7 -85.2 143.8 3.6 43.6 60.4 91 92 A X E -GI 85 197B 0 106,-2.0 106,-2.7 -2,-0.3 2,-0.5 -0.819 25.2-143.2-128.0 163.0 5.6 40.5 61.4 92 93 A I E +GI 84 196B 0 -8,-1.9 -9,-2.4 -2,-0.3 -8,-1.6 -0.987 36.8 163.2-117.3 129.0 7.3 38.6 64.2 93 94 A K + 0 0 6 102,-2.2 -11,-0.1 -2,-0.5 6,-0.1 -0.885 35.3 73.7-140.0 169.2 10.4 36.8 63.0 94 95 A G + 0 0 4 -2,-0.3 5,-0.3 36,-0.1 -1,-0.1 0.550 46.7 127.5 101.8 8.0 13.5 35.3 64.6 95 96 A G S S+ 0 0 28 -3,-0.1 -2,-0.0 100,-0.1 74,-0.0 0.697 76.5 51.5 -68.6 -15.4 12.1 32.1 66.1 96 97 A G S S- 0 0 46 0, 0.0 3,-0.2 0, 0.0 -3,-0.0 0.276 112.9 -72.0 -94.1-139.1 14.9 30.4 64.2 97 98 A A S S+ 0 0 87 1,-0.1 65,-0.4 2,-0.1 3,-0.1 0.530 110.9 50.4-105.9 -5.4 18.6 31.0 64.0 98 99 A A > + 0 0 17 1,-0.1 4,-2.3 63,-0.1 5,-0.2 -0.160 51.7 142.5-131.9 48.7 19.2 34.2 62.0 99 100 A L H > S+ 0 0 10 -5,-0.3 4,-2.2 -3,-0.2 5,-0.2 0.918 79.0 43.8 -49.2 -56.5 17.0 37.1 63.3 100 101 A T H > S+ 0 0 2 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.906 112.1 50.9 -61.0 -45.2 19.5 39.9 62.8 101 102 A R H > S+ 0 0 59 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.930 112.0 49.4 -59.7 -43.7 20.8 38.8 59.4 102 103 A E H X S+ 0 0 23 -4,-2.3 4,-2.3 1,-0.2 -1,-0.2 0.909 110.8 47.9 -63.1 -44.0 17.2 38.6 58.1 103 104 A K H X S+ 0 0 10 -4,-2.2 4,-1.3 -5,-0.2 -1,-0.2 0.861 112.1 50.7 -67.4 -33.3 16.2 42.1 59.4 104 105 A I H X S+ 0 0 0 -4,-2.2 4,-0.7 -5,-0.2 3,-0.3 0.944 111.6 45.9 -68.7 -47.8 19.3 43.6 57.9 105 106 A I H >X S+ 0 0 0 -4,-2.4 3,-1.2 1,-0.2 4,-1.1 0.916 110.3 55.0 -61.7 -41.6 18.8 42.1 54.5 106 107 A A H 3< S+ 0 0 1 -4,-2.3 3,-0.3 1,-0.3 -1,-0.2 0.833 101.3 59.2 -60.5 -32.1 15.1 43.1 54.6 107 108 A S H 3< S+ 0 0 48 -4,-1.3 -1,-0.3 -3,-0.3 -2,-0.2 0.717 106.6 47.5 -70.4 -20.3 16.2 46.7 55.3 108 109 A V H << S+ 0 0 11 -3,-1.2 -33,-1.6 -4,-0.7 -1,-0.2 0.656 94.9 91.8 -93.8 -18.0 18.1 46.8 52.0 109 110 A A E < -d 75 0A 6 -4,-1.1 -33,-0.2 -3,-0.3 -32,-0.1 -0.538 67.7-145.4 -81.4 142.6 15.3 45.3 49.9 110 111 A E E S+ 0 0 134 -35,-2.4 2,-0.4 1,-0.2 -33,-0.2 0.906 88.1 23.8 -70.7 -42.0 12.8 47.5 48.1 111 112 A K E -d 77 0A 84 -35,-1.4 -33,-1.9 -36,-0.2 2,-0.6 -0.987 68.8-146.8-131.2 135.9 9.9 45.1 48.7 112 113 A F E -d 78 0A 0 -2,-0.4 91,-2.6 89,-0.2 92,-1.8 -0.891 13.7-162.8-100.2 117.8 9.5 42.3 51.3 113 114 A I E -de 79 204A 0 -35,-3.1 -33,-1.8 -2,-0.6 2,-0.5 -0.890 9.5-152.8-103.7 107.0 7.6 39.4 49.8 114 115 A C E +de 80 205A 0 90,-3.1 92,-3.0 -2,-0.8 -33,-0.2 -0.686 19.7 176.8 -85.7 127.6 6.3 37.3 52.7 115 116 A I + 0 0 4 -35,-2.2 -34,-0.2 -2,-0.5 -1,-0.1 -0.076 27.4 146.5-116.8 30.3 5.8 33.6 51.9 116 117 A A - 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0 0 11 -3,-1.9 6,-0.0 -4,-0.3 -3,-0.0 -0.772 57.3-162.8 -91.2 115.7 29.9 57.7 96.7 237 19 B Q > - 0 0 139 -2,-0.7 3,-0.9 1,-0.1 -2,-0.1 -0.722 28.4 -94.2 -98.4 146.7 28.4 56.2 99.9 238 20 B P T 3 S+ 0 0 90 0, 0.0 26,-0.3 0, 0.0 -1,-0.1 -0.162 104.5 19.9 -56.2 146.5 30.0 53.4 102.0 239 21 B G T 3 S+ 0 0 45 24,-3.2 2,-0.2 1,-0.2 25,-0.2 0.711 97.7 123.1 67.3 22.5 29.1 49.8 101.4 240 22 B T < - 0 0 52 -3,-0.9 26,-1.5 23,-0.2 25,-1.4 -0.691 64.4-120.1-112.8 166.3 27.8 50.5 97.8 241 23 B I E -n 266 0E 30 -2,-0.2 54,-0.6 24,-0.2 55,-0.5 -0.936 33.5-147.9-105.4 120.8 28.6 49.1 94.4 242 24 B V E -n 267 0E 0 24,-2.5 26,-2.4 -2,-0.6 2,-0.5 -0.758 8.2-133.5 -97.7 134.6 29.7 51.9 92.1 243 25 B G E -no 268 297E 0 53,-2.2 55,-2.4 -2,-0.4 2,-0.5 -0.725 29.5-158.3 -82.4 125.6 29.2 52.1 88.4 244 26 B V E -no 269 298E 0 24,-3.2 26,-1.5 -2,-0.5 55,-0.2 -0.919 4.7-154.6-116.8 130.0 32.5 53.1 86.8 245 27 B G - 0 0 0 53,-2.4 25,-0.3 -2,-0.5 2,-0.3 0.148 16.2-114.8 -80.4-161.8 33.1 54.7 83.4 246 28 B T + 0 0 31 24,-0.1 54,-0.6 23,-0.1 4,-0.3 -0.932 57.6 59.7-137.5 158.4 36.0 54.7 81.0 247 29 B G S > S- 0 0 42 -2,-0.3 4,-1.8 1,-0.1 -2,-0.0 -0.470 91.6 -57.0 114.8 173.7 38.4 57.3 79.7 248 30 B S H > S+ 0 0 65 1,-0.2 4,-0.6 2,-0.2 -1,-0.1 0.741 132.6 45.0 -65.2 -26.6 41.0 59.8 80.9 249 31 B T H >> S+ 0 0 4 -3,-0.2 4,-1.1 2,-0.2 3,-0.9 0.899 111.8 50.2 -84.4 -43.7 38.5 61.7 83.1 250 32 B A H 3> S+ 0 0 0 -4,-0.3 4,-2.0 1,-0.3 -2,-0.2 0.817 100.0 68.7 -61.4 -29.5 37.0 58.5 84.6 251 33 B A H 3X S+ 0 0 30 -4,-1.8 4,-1.8 1,-0.2 -1,-0.3 0.889 98.1 50.1 -56.6 -39.7 40.6 57.4 85.3 252 34 B H H < S+ 0 0 0 -4,-2.2 3,-1.4 1,-0.2 -2,-0.2 0.917 106.7 54.4 -60.7 -44.8 39.7 58.7 93.9 257 39 B L H >< S+ 0 0 0 -4,-2.7 3,-2.4 1,-0.3 -1,-0.2 0.824 95.6 69.7 -59.3 -31.4 37.8 55.5 94.5 258 40 B G H >< S+ 0 0 16 -4,-1.7 3,-1.2 1,-0.3 -1,-0.3 0.823 89.9 60.6 -56.5 -32.1 41.0 53.9 95.5 259 41 B T T << S+ 0 0 88 -3,-1.4 -1,-0.3 -4,-0.7 -2,-0.2 0.538 110.3 42.3 -73.9 -4.9 41.0 56.0 98.7 260 42 B X T X> S+ 0 0 22 -3,-2.4 3,-2.7 -4,-0.2 4,-1.1 0.207 76.2 120.1-122.2 11.2 37.7 54.3 99.6 261 43 B K G X4 S+ 0 0 122 -3,-1.2 3,-0.6 1,-0.3 23,-0.2 0.856 79.0 45.5 -46.2 -46.4 38.6 50.7 98.6 262 44 B G G 34 S+ 0 0 77 -4,-0.2 -1,-0.3 1,-0.2 -2,-0.1 0.457 113.3 52.9 -80.1 1.8 38.0 49.4 102.1 263 45 B Q G <4 S+ 0 0 115 -3,-2.7 -24,-3.2 -25,-0.0 2,-0.3 0.533 97.9 67.1-112.3 -11.0 34.8 51.3 102.4 264 46 B I S << S- 0 0 18 -4,-1.1 -23,-0.1 -3,-0.6 3,-0.1 -0.792 72.8-132.6-111.5 157.2 32.8 50.3 99.3 265 47 B E - 0 0 109 -25,-1.4 2,-0.3 -2,-0.3 -24,-0.2 0.829 67.1 -87.1 -74.3 -32.4 31.4 46.9 98.4 266 48 B G E -n 241 0E 1 -26,-1.5 -24,-2.5 17,-0.1 2,-0.3 -0.994 41.6 -90.7 158.1-159.4 32.8 47.1 94.9 267 49 B A E -np 242 285E 0 17,-2.1 19,-3.1 -2,-0.3 2,-0.5 -0.975 10.1-134.4-151.1 162.0 32.2 48.3 91.3 268 50 B V E -n 243 0E 3 -26,-2.4 -24,-3.2 -2,-0.3 2,-0.3 -0.993 33.8-148.3-118.7 122.1 30.8 47.5 87.9 269 51 B S E -n 244 0E 4 -2,-0.5 19,-0.2 17,-0.5 -24,-0.2 -0.724 19.5-155.0-101.3 145.3 33.2 48.5 85.1 270 52 B S S S+ 0 0 0 -26,-1.5 2,-0.3 -2,-0.3 51,-0.2 0.362 80.6 23.9 -94.0 2.6 32.4 49.7 81.6 271 53 B S S > S- 0 0 13 -26,-0.2 4,-2.3 -27,-0.1 5,-0.1 -0.988 72.3-118.5-162.6 156.9 35.8 48.6 80.1 272 54 B D H > S+ 0 0 114 -2,-0.3 4,-2.9 1,-0.2 5,-0.2 0.862 115.3 57.2 -66.6 -34.3 38.7 46.1 80.7 273 55 B A H > S+ 0 0 71 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.922 110.5 42.5 -61.9 -45.1 41.0 49.1 81.1 274 56 B S H > S+ 0 0 8 2,-0.2 4,-2.6 1,-0.2 -2,-0.2 0.889 113.5 52.9 -68.7 -39.1 38.9 50.5 83.9 275 57 B T H X S+ 0 0 23 -4,-2.3 4,-2.7 1,-0.2 -2,-0.2 0.923 107.9 50.7 -61.7 -45.2 38.5 47.0 85.4 276 58 B E H X S+ 0 0 148 -4,-2.9 4,-1.9 1,-0.2 -1,-0.2 0.896 112.4 46.7 -60.1 -41.3 42.3 46.5 85.4 277 59 B K H X S+ 0 0 66 -4,-1.7 4,-1.1 2,-0.2 -1,-0.2 0.896 111.9 50.5 -68.7 -40.5 42.8 49.8 87.2 278 60 B L H <>S+ 0 0 0 -4,-2.6 5,-2.4 1,-0.2 3,-0.4 0.912 111.1 48.8 -63.1 -43.5 40.1 49.1 89.7 279 61 B K H ><5S+ 0 0 122 -4,-2.7 3,-1.8 1,-0.2 -1,-0.2 0.884 106.7 55.5 -64.4 -39.7 41.6 45.7 90.5 280 62 B S H 3<5S+ 0 0 91 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.772 105.6 53.4 -64.8 -25.5 45.0 47.1 90.9 281 63 B L T 3<5S- 0 0 48 -4,-1.1 -1,-0.3 -3,-0.4 -2,-0.2 0.277 124.7-104.6 -91.9 10.1 43.6 49.5 93.5 282 64 B G T < 5S+ 0 0 51 -3,-1.8 2,-0.5 1,-0.2 -3,-0.2 0.803 74.0 141.5 73.6 30.6 42.1 46.6 95.4 283 65 B I < - 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