==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=8-FEB-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ISOMERASE 07-JAN-13 4IO1 . COMPND 2 MOLECULE: RIBOSE-5-PHOSPHATE ISOMERASE A; . SOURCE 2 ORGANISM_SCIENTIFIC: FRANCISELLA TULARENSIS SUBSP. TULARENS . AUTHOR R.ROSTANKOWSKI,C.NAKKA,S.GRIMSHAW,D.BOREK,Z.OTWINOWSKI,CENTE . 433 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 18226.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 313 72.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 53 12.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 55 12.7 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 . 6 1.4 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 . 28 6.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 55 12.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 102 23.6 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 2 0 0 0 0 7 2 2 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 0 3 0 5 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 4 3 3 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 ANTIPARALLEL BRIDGES PER LADDER . 0 0 4 0 1 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 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 7 A N > 0 0 153 0, 0.0 4,-1.3 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 -7.3 -5.0 13.8 13.2 2 8 A N H > + 0 0 81 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.886 360.0 54.7 -67.7 -41.9 -2.3 13.6 10.6 3 9 A Q H > S+ 0 0 79 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.908 105.3 53.1 -53.9 -42.6 -0.1 12.2 13.3 4 10 A D H > S+ 0 0 55 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.890 106.9 51.7 -62.4 -35.9 -2.9 9.6 13.9 5 11 A E H X S+ 0 0 104 -4,-1.3 4,-2.1 2,-0.2 -1,-0.2 0.908 110.5 49.0 -64.5 -38.9 -2.7 8.7 10.1 6 12 A L H X S+ 0 0 5 -4,-2.3 4,-2.4 1,-0.2 5,-0.2 0.930 109.8 51.5 -64.8 -43.5 1.1 8.3 10.5 7 13 A K H X S+ 0 0 19 -4,-2.8 4,-2.2 1,-0.2 -1,-0.2 0.902 109.6 49.6 -61.1 -44.5 0.6 6.1 13.5 8 14 A K H X S+ 0 0 90 -4,-2.4 4,-2.5 1,-0.2 -1,-0.2 0.884 108.9 52.7 -59.7 -39.8 -1.9 3.9 11.7 9 15 A L H X S+ 0 0 48 -4,-2.1 4,-2.2 2,-0.2 -2,-0.2 0.919 110.4 46.9 -65.1 -42.1 0.5 3.5 8.7 10 16 A A H X S+ 0 0 0 -4,-2.4 4,-2.3 1,-0.2 -1,-0.2 0.938 114.0 48.2 -64.6 -44.8 3.4 2.4 11.0 11 17 A A H X S+ 0 0 0 -4,-2.2 4,-1.8 -5,-0.2 -2,-0.2 0.908 110.6 50.0 -62.7 -43.7 1.1 -0.1 12.8 12 18 A T H X S+ 0 0 37 -4,-2.5 4,-0.9 2,-0.2 -1,-0.2 0.937 110.5 50.7 -58.7 -47.9 -0.3 -1.5 9.6 13 19 A E H >< S+ 0 0 61 -4,-2.2 3,-0.9 1,-0.2 4,-0.3 0.911 108.4 51.6 -61.1 -41.7 3.1 -2.1 8.2 14 20 A A H >< S+ 0 0 0 -4,-2.3 3,-2.2 1,-0.2 -1,-0.2 0.888 100.5 61.9 -62.5 -37.9 4.3 -3.8 11.3 15 21 A A H >< S+ 0 0 0 -4,-1.8 3,-2.3 1,-0.3 -1,-0.2 0.780 87.9 73.6 -63.2 -24.4 1.4 -6.2 11.3 16 22 A K T << S+ 0 0 113 -4,-0.9 -1,-0.3 -3,-0.9 -2,-0.2 0.697 81.7 71.2 -62.2 -17.4 2.7 -7.5 7.9 17 23 A S T < S+ 0 0 47 -3,-2.2 2,-1.4 -4,-0.3 -1,-0.3 0.537 71.6 94.5 -73.6 -9.7 5.4 -9.2 9.8 18 24 A I < + 0 0 3 -3,-2.3 -1,-0.1 1,-0.2 27,-0.1 -0.716 45.2 140.2 -82.7 91.8 2.8 -11.7 11.1 19 25 A T + 0 0 91 -2,-1.4 2,-0.3 26,-0.1 -1,-0.2 0.432 59.9 27.2-118.4 -6.5 3.5 -14.3 8.3 20 26 A T S S- 0 0 79 -3,-0.2 2,-0.4 25,-0.1 -1,-0.0 -0.900 101.2 -66.4-147.8 173.2 3.3 -17.5 10.3 21 27 A E S S+ 0 0 132 -2,-0.3 2,-0.3 25,-0.1 25,-0.2 -0.535 71.2 160.7 -67.7 122.6 1.6 -19.0 13.4 22 28 A I E -a 46 0A 16 23,-2.8 25,-1.6 -2,-0.4 26,-1.2 -0.890 52.8-112.0-140.9 163.5 3.1 -17.2 16.4 23 29 A T E -a 48 0A 19 -2,-0.3 54,-2.1 24,-0.2 55,-1.5 -0.935 46.4-159.1 -88.4 114.3 2.9 -16.1 20.0 24 30 A L E -ab 49 78A 0 24,-2.7 26,-2.6 -2,-0.7 2,-0.4 -0.849 9.6-154.2-102.3 134.6 2.5 -12.4 19.5 25 31 A G E -ab 50 79A 0 53,-3.1 55,-2.0 -2,-0.4 2,-0.4 -0.927 12.5-149.6-106.5 139.0 3.3 -9.9 22.3 26 32 A V E -ab 51 80A 0 24,-2.5 26,-2.3 -2,-0.4 55,-0.2 -0.916 4.3-149.6-118.2 132.4 1.4 -6.5 22.2 27 33 A G - 0 0 0 53,-2.4 2,-0.3 -2,-0.4 25,-0.3 0.257 21.1-107.6 -76.5-154.8 2.7 -3.2 23.5 28 34 A T + 0 0 16 24,-0.1 54,-0.6 23,-0.1 4,-0.2 -0.956 59.9 52.8-144.0 147.5 0.8 -0.2 25.0 29 35 A G S > S- 0 0 30 -2,-0.3 4,-1.6 1,-0.2 -2,-0.0 -0.537 89.4 -54.8 119.9-176.4 -0.2 3.3 23.8 30 36 A S H > S+ 0 0 63 1,-0.2 4,-1.1 2,-0.2 -1,-0.2 0.904 128.8 49.0 -72.7 -38.3 -1.9 5.1 21.0 31 37 A T H >> S+ 0 0 3 1,-0.2 4,-1.4 2,-0.2 3,-0.6 0.924 111.7 50.6 -65.9 -42.6 0.2 3.8 18.2 32 38 A V H 3> S+ 0 0 1 1,-0.2 4,-2.9 2,-0.2 -1,-0.2 0.830 99.0 67.3 -63.6 -28.0 -0.3 0.2 19.4 33 39 A G H 3X S+ 0 0 13 -4,-1.6 4,-1.6 1,-0.2 -1,-0.2 0.901 100.7 47.8 -58.3 -40.7 -4.1 0.9 19.6 34 40 A F H < S+ 0 0 3 -4,-2.9 3,-0.6 1,-0.2 4,-0.4 0.902 106.2 52.5 -61.3 -38.7 -4.6 -3.9 17.8 37 43 A E H >< S+ 0 0 106 -4,-1.6 3,-0.8 1,-0.2 -1,-0.2 0.865 108.8 51.4 -60.4 -37.2 -7.4 -2.8 15.4 38 44 A E H >< S+ 0 0 40 -4,-1.5 3,-1.8 -3,-0.2 -1,-0.2 0.719 90.8 78.3 -72.6 -23.2 -5.4 -4.3 12.5 39 45 A L G X< S+ 0 0 0 -4,-1.2 3,-2.0 -3,-0.6 -1,-0.2 0.707 75.0 76.1 -64.0 -20.1 -4.9 -7.7 14.3 40 46 A V G X S+ 0 0 49 -3,-0.8 3,-0.7 -4,-0.4 -1,-0.3 0.803 91.2 56.1 -60.4 -26.7 -8.4 -8.8 13.4 41 47 A N G < S+ 0 0 114 -3,-1.8 -1,-0.3 1,-0.2 -2,-0.2 0.494 111.0 43.0 -84.0 -2.6 -7.1 -9.4 9.9 42 48 A Y G X> S+ 0 0 45 -3,-2.0 3,-2.2 -4,-0.2 4,-0.9 0.139 74.2 126.2-124.2 16.6 -4.4 -11.7 11.2 43 49 A R T <4 + 0 0 101 -3,-0.7 3,-0.5 1,-0.3 -2,-0.1 0.765 68.4 56.5 -53.4 -37.2 -6.5 -13.6 13.7 44 50 A D T 34 S+ 0 0 157 1,-0.2 -1,-0.3 -4,-0.1 -2,-0.1 0.624 107.9 47.3 -73.9 -16.3 -5.7 -17.1 12.3 45 51 A K T <4 S+ 0 0 81 -3,-2.2 -23,-2.8 1,-0.1 2,-1.3 0.592 91.4 85.8 -96.7 -9.7 -1.9 -16.7 12.7 46 52 A I E < +a 22 0A 14 -4,-0.9 -23,-0.1 -3,-0.5 -1,-0.1 -0.700 47.5 164.7 -97.0 91.2 -2.1 -15.4 16.2 47 53 A K E S+ 0 0 147 -25,-1.6 2,-0.3 -2,-1.3 -24,-0.2 0.801 70.3 14.1 -74.8 -35.2 -2.1 -18.6 18.3 48 54 A T E -a 23 0A 22 -26,-1.2 -24,-2.7 -3,-0.2 2,-0.4 -0.990 66.6-158.0-144.1 135.8 -1.3 -16.9 21.6 49 55 A V E -a 24 0A 4 -2,-0.3 19,-2.9 17,-0.3 2,-0.4 -0.985 4.1-168.0-118.2 129.6 -1.3 -13.2 22.6 50 56 A V E -a 25 0A 1 -26,-2.6 -24,-2.5 -2,-0.4 2,-0.4 -0.949 14.6-148.7-111.3 136.3 0.6 -11.8 25.5 51 57 A S E -a 26 0A 10 -2,-0.4 19,-0.2 17,-0.3 -24,-0.2 -0.898 17.2-155.0-112.7 140.3 -0.2 -8.3 26.7 52 58 A S S S+ 0 0 0 -26,-2.3 2,-0.3 -2,-0.4 51,-0.3 0.443 79.7 20.5 -86.5 -2.2 2.1 -5.7 28.2 53 59 A S > - 0 0 3 -26,-0.2 4,-2.6 -27,-0.2 5,-0.1 -0.991 67.2-121.6-161.1 154.9 -0.8 -3.8 30.0 54 60 A E H > S+ 0 0 87 -2,-0.3 4,-2.5 2,-0.2 5,-0.2 0.898 115.6 60.6 -65.8 -31.2 -4.3 -4.1 31.3 55 61 A D H > S+ 0 0 50 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.970 108.9 40.2 -55.3 -51.9 -5.0 -1.2 29.0 56 62 A S H > S+ 0 0 1 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.897 110.8 58.8 -66.5 -35.6 -4.0 -3.2 25.9 57 63 A T H X S+ 0 0 15 -4,-2.6 4,-2.5 1,-0.2 -1,-0.2 0.902 104.1 51.5 -60.9 -42.3 -5.7 -6.3 27.3 58 64 A R H X S+ 0 0 159 -4,-2.5 4,-1.9 2,-0.2 -1,-0.2 0.895 112.0 46.8 -56.0 -43.4 -9.1 -4.4 27.4 59 65 A K H X S+ 0 0 75 -4,-1.5 4,-0.8 2,-0.2 -2,-0.2 0.873 111.8 50.0 -70.7 -35.7 -8.6 -3.4 23.8 60 66 A L H ><>S+ 0 0 0 -4,-2.6 5,-2.3 1,-0.2 3,-0.9 0.929 111.6 48.2 -66.8 -44.1 -7.7 -6.9 22.7 61 67 A K H ><5S+ 0 0 129 -4,-2.5 3,-2.2 1,-0.3 -2,-0.2 0.868 102.1 62.5 -67.4 -34.6 -10.7 -8.4 24.5 62 68 A A H 3<5S+ 0 0 86 -4,-1.9 -1,-0.3 1,-0.3 -2,-0.2 0.787 107.7 45.8 -58.9 -26.1 -13.0 -5.8 23.0 63 69 A L T <<5S- 0 0 59 -3,-0.9 -1,-0.3 -4,-0.8 -2,-0.2 0.138 127.3-101.4-104.8 15.8 -12.0 -7.3 19.6 64 70 A G T < 5S+ 0 0 50 -3,-2.2 2,-0.4 1,-0.3 -3,-0.2 0.642 71.6 144.1 78.3 18.4 -12.4 -10.9 20.9 65 71 A F < - 0 0 14 -5,-2.3 2,-0.3 -6,-0.1 -1,-0.3 -0.727 43.5-136.9 -86.0 139.2 -8.8 -11.8 21.5 66 72 A D - 0 0 134 -2,-0.4 2,-0.4 -5,-0.0 -17,-0.3 -0.694 17.6-147.2 -86.9 141.9 -7.9 -14.1 24.4 67 73 A V - 0 0 40 -2,-0.3 2,-0.4 -19,-0.1 -17,-0.2 -0.969 8.9-156.9-117.6 136.6 -4.9 -13.0 26.4 68 74 A V - 0 0 50 -19,-2.9 -17,-0.3 -2,-0.4 2,-0.1 -0.895 24.5-108.2-119.0 137.3 -2.5 -15.5 28.0 69 75 A D >> - 0 0 75 -2,-0.4 4,-2.2 1,-0.1 3,-1.6 -0.371 29.8-122.4 -60.9 138.8 -0.1 -14.9 30.9 70 76 A L H 3> S+ 0 0 5 1,-0.3 4,-2.4 2,-0.2 -1,-0.1 0.822 109.2 63.0 -55.6 -32.0 3.5 -14.9 29.8 71 77 A N H 34 S+ 0 0 28 1,-0.2 -1,-0.3 2,-0.2 -2,-0.0 0.813 110.4 39.0 -65.9 -30.0 4.4 -17.7 32.2 72 78 A Y H <4 S+ 0 0 202 -3,-1.6 -1,-0.2 1,-0.1 -2,-0.2 0.811 115.0 53.3 -83.3 -37.6 2.1 -20.0 30.3 73 79 A A H < S- 0 0 23 -4,-2.2 2,-0.8 1,-0.2 -2,-0.2 0.843 86.5-164.8 -66.0 -35.5 3.0 -18.6 26.9 74 80 A G < + 0 0 22 -4,-2.4 2,-0.3 -5,-0.2 -1,-0.2 -0.753 57.6 12.3 87.5-111.5 6.8 -19.1 27.3 75 81 A E S S- 0 0 95 -2,-0.8 2,-0.4 -4,-0.0 35,-0.2 -0.814 71.8-130.9-102.5 146.0 8.7 -17.1 24.7 76 82 A I B -f 110 0B 0 33,-2.2 35,-2.3 -2,-0.3 36,-0.2 -0.808 9.8-160.9 -90.9 134.9 7.2 -14.4 22.5 77 83 A D S S+ 0 0 53 -54,-2.1 35,-0.5 -2,-0.4 2,-0.4 0.895 79.2 12.0 -77.9 -44.1 8.0 -14.8 18.8 78 84 A L E -b 24 0A 10 -55,-1.5 -53,-3.1 33,-0.2 2,-0.4 -0.988 63.7-170.0-141.2 124.4 7.2 -11.2 17.9 79 85 A Y E -bc 25 113A 0 33,-2.6 35,-2.8 -2,-0.4 2,-0.4 -0.973 7.3-168.1-116.6 130.1 6.6 -8.2 20.2 80 86 A I E +bc 26 114A 0 -55,-2.0 -53,-2.4 -2,-0.4 2,-0.3 -0.992 21.8 144.4-123.2 125.0 5.3 -5.0 18.6 81 87 A D E - c 0 115A 0 33,-2.0 35,-2.7 -2,-0.4 -52,-0.1 -0.963 37.6-120.6-153.9 165.5 5.2 -1.7 20.7 82 88 A G - 0 0 7 -54,-0.6 2,-0.3 -2,-0.3 35,-0.2 -0.110 22.4-146.6 -95.7-168.0 5.7 2.0 20.4 83 89 A A - 0 0 5 33,-0.4 11,-0.2 1,-0.1 3,-0.1 -0.979 22.6-134.8-158.0 156.8 8.2 4.4 22.1 84 90 A D S S+ 0 0 38 9,-2.4 2,-0.3 1,-0.3 10,-0.2 0.816 96.4 5.5 -83.8 -31.5 8.4 7.9 23.4 85 91 A E E -G 93 0C 5 8,-1.7 8,-2.0 -3,-0.1 2,-0.3 -0.991 61.4-170.9-148.2 152.7 11.8 8.4 21.8 86 92 A C E -Gh 92 122C 0 35,-2.2 37,-2.8 -2,-0.3 6,-0.2 -0.986 10.3-158.7-145.1 128.7 14.0 6.4 19.4 87 93 A N > - 0 0 9 4,-2.3 3,-1.2 -2,-0.3 37,-0.2 -0.207 43.1 -83.0 -94.2-169.6 17.6 7.3 18.5 88 94 A N T 3 S+ 0 0 92 36,-0.4 36,-0.1 1,-0.3 37,-0.1 0.585 125.8 54.5 -74.8 -8.4 19.7 6.2 15.5 89 95 A H T 3 S- 0 0 129 2,-0.2 -1,-0.3 129,-0.0 3,-0.1 0.086 117.6-105.3-112.3 20.4 20.7 2.9 17.1 90 96 A K S < S+ 0 0 52 -3,-1.2 113,-2.5 1,-0.3 2,-0.4 0.724 74.3 143.1 60.4 24.3 17.1 1.7 17.8 91 97 A E - 0 0 28 111,-0.2 -4,-2.3 109,-0.0 2,-0.3 -0.766 32.9-160.5 -91.5 143.2 17.5 2.5 21.5 92 98 A L E -GI 86 198C 0 106,-2.0 106,-2.9 -2,-0.4 2,-0.4 -0.817 28.7-141.0-128.1 155.5 14.4 3.9 23.1 93 99 A I E +GI 85 197C 0 -8,-2.0 -9,-2.4 -2,-0.3 -8,-1.7 -0.993 38.1 167.2-109.0 134.5 12.8 5.8 25.9 94 100 A K + 0 0 5 102,-2.1 -11,-0.1 -2,-0.4 6,-0.0 -0.878 33.8 78.4-140.4 163.9 9.5 4.3 27.0 95 101 A G > + 0 0 3 -2,-0.3 3,-2.3 36,-0.1 5,-0.1 0.392 42.7 130.9 112.8 9.9 7.0 4.5 29.9 96 102 A G T 3 S+ 0 0 27 1,-0.3 -67,-0.1 2,-0.1 -2,-0.0 0.848 85.4 44.3 -60.5 -26.7 5.1 7.7 29.0 97 103 A G T 3 S- 0 0 60 -69,-0.1 -1,-0.3 0, 0.0 -68,-0.1 0.123 118.1-114.3 -99.8 16.0 1.9 5.5 29.6 98 104 A A S < S+ 0 0 15 -3,-2.3 65,-0.3 1,-0.1 3,-0.3 0.485 89.7 105.6 66.5 16.0 3.3 3.9 32.7 99 105 A A > + 0 0 7 1,-0.2 4,-2.2 63,-0.1 5,-0.2 0.152 35.0 120.7-107.6 19.8 3.5 0.4 31.4 100 106 A L H > + 0 0 0 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.800 68.0 58.5 -58.2 -34.7 7.3 0.2 31.0 101 107 A T H > S+ 0 0 2 -3,-0.3 4,-2.2 2,-0.2 -1,-0.2 0.975 111.4 36.9 -64.1 -54.9 7.8 -2.7 33.4 102 108 A R H > S+ 0 0 49 -50,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.865 117.0 55.7 -66.0 -34.1 5.6 -5.3 31.6 103 109 A E H X S+ 0 0 6 -4,-2.2 4,-2.5 -51,-0.3 -1,-0.2 0.928 107.9 46.7 -59.2 -49.9 6.8 -3.9 28.2 104 110 A K H X S+ 0 0 10 -4,-2.7 4,-2.4 -5,-0.2 -2,-0.2 0.887 110.9 53.0 -65.5 -34.6 10.4 -4.4 29.1 105 111 A I H X S+ 0 0 0 -4,-2.2 4,-2.2 -5,-0.2 -2,-0.2 0.949 108.9 49.4 -62.5 -43.2 9.7 -8.0 30.3 106 112 A C H < S+ 0 0 0 -4,-2.5 4,-0.4 1,-0.2 -30,-0.2 0.913 110.7 49.7 -63.2 -43.2 8.0 -8.7 27.0 107 113 A V H >< S+ 0 0 3 -4,-2.5 3,-1.3 1,-0.2 -1,-0.2 0.925 109.8 52.0 -58.3 -44.3 11.0 -7.4 25.0 108 114 A A H 3< S+ 0 0 15 -4,-2.4 -2,-0.2 1,-0.3 -1,-0.2 0.878 113.6 43.8 -62.1 -36.7 13.3 -9.5 27.2 109 115 A A T 3< S+ 0 0 5 -4,-2.2 -33,-2.2 -5,-0.1 2,-0.4 0.413 98.5 99.3 -89.1 5.9 11.2 -12.6 26.4 110 116 A A B < -f 76 0B 8 -3,-1.3 -33,-0.2 -4,-0.4 3,-0.1 -0.727 60.0-153.9-104.7 143.1 10.8 -11.9 22.7 111 117 A K S S+ 0 0 119 -35,-2.3 2,-0.3 -2,-0.4 -33,-0.2 0.826 90.3 18.0 -74.1 -34.7 12.7 -13.3 19.8 112 118 A K - 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