==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=15-JUL-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 13-FEB-12 4AIR . COMPND 2 MOLECULE: CYSTEINE SYNTHASE; . SOURCE 2 ORGANISM_SCIENTIFIC: LEISHMANIA MAJOR; . AUTHOR P.K.FYFE,G.D.WESTROP,G.H.COOMBS,W.N.HUNTER . 616 12 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 24477.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 469 76.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 87 14.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 16 2.6 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 . 37 6.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 89 14.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 202 32.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 16 2.6 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 1 3 2 2 0 0 3 5 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 3 1 4 1 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 . 4 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 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 2 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 3 A A 0 0 153 0, 0.0 2,-0.4 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 87.8 30.6 15.1 8.2 2 4 A P - 0 0 123 0, 0.0 0, 0.0 0, 0.0 0, 0.0 -0.693 360.0 -89.1 -88.1 130.9 27.4 13.0 8.3 3 5 A F - 0 0 50 -2,-0.4 2,-0.8 1,-0.1 7,-0.0 0.048 33.3-150.2 -38.3 122.0 24.0 14.5 9.5 4 6 A D >> - 0 0 57 1,-0.1 4,-1.3 -3,-0.1 3,-1.2 -0.845 9.2-169.7-101.1 102.5 23.4 14.2 13.2 5 7 A K T 34 S+ 0 0 40 -2,-0.8 322,-0.4 1,-0.3 5,-0.1 0.702 82.2 58.6 -72.5 -18.7 19.6 14.0 13.7 6 8 A S T 34 S+ 0 0 41 1,-0.1 -1,-0.3 320,-0.1 470,-0.1 0.723 119.3 29.6 -77.7 -19.6 19.7 14.3 17.5 7 9 A R T <4 S+ 0 0 148 -3,-1.2 2,-0.3 1,-0.1 471,-0.2 0.528 117.7 45.8-118.4 -5.7 21.5 17.7 17.2 8 10 A N S < S- 0 0 51 -4,-1.3 319,-0.6 319,-0.1 2,-0.5 -0.946 79.8-101.4-139.5 157.7 20.4 19.3 13.9 9 11 A V E -a 327 0A 16 467,-0.7 319,-0.2 -2,-0.3 2,-0.1 -0.660 37.3-131.7 -85.8 124.8 17.2 20.0 11.8 10 12 A A E -a 328 0A 0 317,-3.3 319,-3.0 -2,-0.5 3,-0.1 -0.422 5.9-151.3 -71.6 144.6 16.5 17.6 8.9 11 13 A Q S S+ 0 0 119 1,-0.2 2,-0.3 317,-0.2 -1,-0.1 0.709 83.5 17.3 -80.4 -23.3 15.6 19.0 5.4 12 14 A S S > S- 0 0 24 1,-0.1 3,-1.9 319,-0.1 -1,-0.2 -0.995 72.8-120.1-154.1 143.9 13.7 15.8 4.5 13 15 A I G > S+ 0 0 7 532,-0.4 3,-1.9 -2,-0.3 4,-0.3 0.760 108.5 76.3 -60.4 -22.3 12.1 12.9 6.4 14 16 A D G > S+ 0 0 26 1,-0.3 3,-1.5 2,-0.2 -1,-0.3 0.830 85.9 59.9 -48.3 -41.9 14.5 10.8 4.2 15 17 A Q G < S+ 0 0 68 -3,-1.9 -1,-0.3 1,-0.3 -2,-0.2 0.577 97.4 59.9 -70.8 -11.9 17.3 11.8 6.5 16 18 A L G < S+ 0 0 5 -3,-1.9 -1,-0.3 -4,-0.2 2,-0.2 0.442 81.4 105.6 -93.3 -3.2 15.6 10.2 9.4 17 19 A I S < S- 0 0 23 -3,-1.5 31,-0.1 -4,-0.3 26,-0.0 -0.528 82.6 -2.8 -76.2 140.4 15.6 6.7 7.7 18 20 A G S S+ 0 0 4 -2,-0.2 146,-0.0 22,-0.1 145,-0.0 -0.254 79.7 105.0 73.2-160.6 18.1 4.3 9.2 19 21 A Q + 0 0 82 1,-0.1 -1,-0.1 292,-0.0 291,-0.1 0.923 60.7 172.5 45.4 47.9 20.5 5.2 12.0 20 22 A T - 0 0 4 1,-0.1 -1,-0.1 291,-0.1 20,-0.1 -0.409 31.1-101.5 -82.3 157.9 18.2 3.2 14.2 21 23 A P - 0 0 11 0, 0.0 18,-2.5 0, 0.0 2,-0.4 -0.282 23.3-139.0 -77.3 167.2 19.0 2.3 17.9 22 24 A A E -G 38 0B 3 291,-0.4 293,-3.0 16,-0.2 2,-0.4 -0.975 19.3-166.7-127.5 144.3 20.3 -1.0 19.3 23 25 A L E -Gh 37 315B 4 14,-2.2 14,-3.2 -2,-0.4 2,-0.3 -0.995 19.4-124.8-140.9 130.3 18.9 -2.4 22.5 24 26 A Y E -G 36 0B 46 291,-3.0 2,-0.5 -2,-0.4 12,-0.2 -0.561 25.5-128.0 -72.7 133.1 20.0 -5.2 24.9 25 27 A L + 0 0 3 10,-2.8 10,-0.4 -2,-0.3 -1,-0.0 -0.721 43.4 158.6 -75.4 128.6 17.5 -7.9 25.6 26 28 A N > + 0 0 80 -2,-0.5 3,-1.6 8,-0.1 -1,-0.1 0.701 57.3 34.0-121.3 -79.6 17.3 -8.2 29.4 27 29 A K T 3 S+ 0 0 96 211,-0.3 212,-0.1 1,-0.3 -2,-0.1 0.876 122.8 48.8 -54.4 -35.9 14.3 -9.6 31.4 28 30 A L T 3 S+ 0 0 31 1,-0.1 2,-0.9 207,-0.1 -1,-0.3 0.679 98.0 77.8 -77.1 -16.2 13.7 -12.2 28.6 29 31 A N < + 0 0 23 -3,-1.6 -1,-0.1 1,-0.1 6,-0.1 -0.822 44.9 163.5-100.2 102.9 17.4 -13.3 28.4 30 32 A N + 0 0 151 -2,-0.9 2,-0.2 225,-0.1 -1,-0.1 -0.069 49.8 99.8-102.1 26.7 18.2 -15.7 31.2 31 33 A T S S- 0 0 37 2,-0.2 228,-0.1 1,-0.0 -2,-0.0 -0.515 83.8-114.3-102.5 177.8 21.4 -16.8 29.5 32 34 A K S S+ 0 0 157 226,-0.4 233,-2.8 -2,-0.2 2,-0.2 0.296 90.7 86.3 -94.3 9.7 25.1 -16.0 29.8 33 35 A A S S- 0 0 4 231,-0.2 2,-0.4 225,-0.2 -2,-0.2 -0.660 78.6-121.6-101.8 161.0 25.2 -14.5 26.3 34 36 A K E - i 0 267B 103 232,-2.8 234,-2.9 229,-0.3 2,-0.5 -0.886 21.7-159.5-100.2 135.1 24.3 -10.9 25.3 35 37 A V E - i 0 268B 1 -10,-0.4 -10,-2.8 -2,-0.4 2,-0.5 -0.991 5.0-164.9-119.6 120.1 21.5 -10.4 22.8 36 38 A V E -Gi 24 269B 3 232,-3.1 234,-2.8 -2,-0.5 2,-0.5 -0.926 6.8-150.7-106.3 129.5 21.4 -7.1 20.9 37 39 A L E -Gi 23 270B 0 -14,-3.2 -14,-2.2 -2,-0.5 2,-0.7 -0.898 7.8-144.9-103.7 121.5 18.3 -6.1 19.0 38 40 A K E -Gi 22 271B 1 232,-2.9 234,-2.8 -2,-0.5 2,-1.8 -0.814 22.5-140.6 -82.6 113.4 18.7 -3.8 16.0 39 41 A M E > + i 0 272B 2 -18,-2.5 3,-2.0 -2,-0.7 232,-0.1 -0.461 42.2 154.8 -90.1 69.9 15.6 -1.7 16.3 40 42 A E G > + 0 0 0 -2,-1.8 3,-1.6 232,-0.6 235,-0.2 0.696 65.7 77.7 -69.1 -15.9 14.3 -1.3 12.7 41 43 A C G 3 S+ 0 0 4 231,-0.8 -1,-0.3 233,-0.3 234,-0.3 0.621 83.0 68.8 -61.5 -15.6 10.9 -0.8 14.1 42 44 A E G < S+ 0 0 34 -3,-2.0 -1,-0.2 -21,-0.1 -2,-0.2 0.394 71.3 116.4 -91.4 -0.2 12.1 2.7 14.9 43 45 A N S X S- 0 0 5 -3,-1.6 3,-1.9 1,-0.1 -26,-0.1 -0.216 85.3 -97.0 -59.4 161.3 12.3 3.9 11.3 44 46 A P T 3 S+ 0 0 4 0, 0.0 -1,-0.1 0, 0.0 -27,-0.1 0.805 125.9 35.1 -55.9 -35.3 9.9 6.8 10.3 45 47 A M T 3 S- 0 0 1 2,-0.3 4,-0.1 35,-0.0 -2,-0.1 0.045 122.3-103.9-112.1 24.9 7.3 4.5 8.8 46 48 A A S < S+ 0 0 5 -3,-1.9 229,-2.4 1,-0.1 2,-0.3 0.676 84.7 74.0 71.9 28.8 7.9 1.8 11.4 47 49 A S B > S-M 274 0C 1 227,-0.2 3,-1.8 1,-0.1 -2,-0.3 -0.994 82.3-109.4-164.4 161.0 9.9 -0.8 9.5 48 50 A V T >> S+ 0 0 6 225,-2.3 3,-1.8 -2,-0.3 4,-0.6 0.737 105.8 76.6 -51.1 -30.8 13.1 -1.9 8.0 49 51 A K H 3> S+ 0 0 17 1,-0.3 4,-3.1 2,-0.2 -1,-0.3 0.677 73.6 78.7 -67.5 -15.4 11.6 -1.5 4.5 50 52 A D H <> S+ 0 0 2 -3,-1.8 4,-2.3 1,-0.2 -1,-0.3 0.872 92.3 53.4 -53.5 -37.5 12.0 2.3 4.8 51 53 A R H <> S+ 0 0 5 -3,-1.8 4,-2.3 -4,-0.3 -1,-0.2 0.898 110.0 46.0 -64.2 -40.6 15.6 1.7 4.0 52 54 A L H X S+ 0 0 3 -4,-0.6 4,-2.7 2,-0.2 -2,-0.2 0.907 111.1 52.7 -68.2 -45.4 14.6 -0.3 0.8 53 55 A G H X S+ 0 0 1 -4,-3.1 4,-2.2 1,-0.2 5,-0.2 0.943 112.7 44.4 -50.8 -52.4 12.1 2.4 -0.2 54 56 A F H X S+ 0 0 51 -4,-2.3 4,-3.1 -5,-0.2 5,-0.4 0.926 112.0 52.0 -60.1 -46.4 14.7 5.1 0.1 55 57 A A H X>S+ 0 0 0 -4,-2.3 4,-2.4 1,-0.2 5,-0.5 0.904 108.3 53.2 -59.4 -42.3 17.3 3.0 -1.8 56 58 A I H X5S+ 0 0 0 -4,-2.7 4,-2.5 3,-0.2 5,-0.3 0.974 117.1 34.7 -56.1 -57.2 14.9 2.4 -4.6 57 59 A Y H X5S+ 0 0 0 -4,-2.2 4,-2.2 2,-0.2 5,-0.2 0.927 121.7 46.3 -66.1 -46.9 14.1 6.1 -5.2 58 60 A D H X5S+ 0 0 38 -4,-3.1 4,-1.8 -5,-0.2 -3,-0.2 0.956 120.6 36.9 -64.0 -49.3 17.6 7.4 -4.4 59 61 A K H X5S+ 0 0 19 -4,-2.4 4,-1.1 -5,-0.4 6,-0.2 0.895 116.7 50.9 -75.0 -40.6 19.5 4.9 -6.5 60 62 A A H <5S+ 0 0 57 -4,-2.2 3,-1.5 -5,-0.3 -2,-0.2 0.906 108.1 53.0 -61.5 -43.5 17.0 8.4 -9.7 62 64 A K H 3<5S+ 0 0 145 -4,-1.8 -1,-0.2 1,-0.3 -2,-0.2 0.715 112.7 46.0 -67.3 -21.4 20.8 8.6 -9.7 63 65 A E T 3<5S- 0 0 84 -4,-1.1 -1,-0.3 -3,-0.2 -2,-0.2 0.289 114.7-117.4-101.0 4.8 20.8 6.1 -12.5 64 66 A G T < 5S+ 0 0 48 -3,-1.5 -3,-0.2 2,-0.2 -2,-0.1 0.595 83.7 117.9 69.4 13.6 18.1 7.9 -14.5 65 67 A K S > - 0 0 65 -2,-0.4 4,-2.7 -3,-0.1 3,-2.3 -0.963 25.8-119.1-121.4 113.2 12.3 10.4 -13.3 68 70 A P T 34 S+ 0 0 75 0, 0.0 25,-0.1 0, 0.0 26,-0.1 -0.228 96.2 8.5 -59.3 137.9 10.4 12.6 -10.7 69 71 A G T 34 S+ 0 0 69 2,-0.2 25,-0.1 23,-0.2 3,-0.1 0.490 130.2 57.9 71.6 4.1 7.0 13.8 -11.9 70 72 A K T <4 S+ 0 0 115 -3,-2.3 -1,-0.1 1,-0.1 2,-0.1 0.578 85.5 76.5-124.7 -49.0 7.2 11.5 -15.0 71 73 A S < - 0 0 14 -4,-2.7 24,-0.6 74,-0.1 2,-0.6 -0.437 64.3-148.1 -73.7 140.9 7.7 7.9 -13.8 72 74 A V E -no 95 145D 14 72,-2.2 74,-2.8 22,-0.1 2,-0.5 -0.952 15.8-143.4-106.5 117.5 4.7 6.0 -12.4 73 75 A V E -no 96 146D 2 22,-2.2 24,-2.9 -2,-0.6 2,-0.5 -0.696 17.9-170.7 -88.5 125.3 5.9 3.6 -9.7 74 76 A V E +no 97 147D 0 72,-2.4 74,-2.7 -2,-0.5 75,-0.4 -0.968 7.5 173.8-124.7 125.4 4.0 0.3 -9.7 75 77 A E E -n 98 0D 5 22,-2.4 24,-2.1 -2,-0.5 2,-1.0 -0.996 28.7-148.6-137.5 131.4 4.4 -2.3 -7.0 76 78 A S E +n 99 0D 11 -2,-0.4 2,-0.3 22,-0.2 24,-0.2 -0.830 50.1 138.2 -92.4 90.8 2.6 -5.6 -6.2 77 79 A S + 0 0 7 -2,-1.0 -2,-0.1 22,-1.0 51,-0.0 -0.947 41.9 179.0-146.7 125.9 2.9 -5.6 -2.4 78 80 A S S S+ 0 0 30 -2,-0.3 2,-0.2 4,-0.1 22,-0.1 0.075 77.2 69.1 -96.5 19.9 0.6 -6.5 0.5 79 81 A G S > S- 0 0 2 542,-0.3 4,-1.6 29,-0.0 3,-0.4 -0.480 103.8 -74.0-126.7-168.1 3.5 -5.6 2.9 80 82 A N H > S+ 0 0 3 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.758 118.9 66.9 -64.5 -25.3 5.8 -3.0 4.3 81 83 A T H > S+ 0 0 19 540,-1.8 4,-2.5 2,-0.2 -1,-0.2 0.934 104.0 45.2 -61.4 -43.8 7.7 -2.7 1.0 82 84 A G H > S+ 0 0 0 -3,-0.4 4,-2.4 539,-0.4 5,-0.2 0.901 110.4 54.0 -65.3 -40.2 4.5 -1.2 -0.6 83 85 A V H X S+ 0 0 1 -4,-1.6 4,-2.5 2,-0.2 -2,-0.2 0.937 111.0 45.2 -59.1 -48.4 3.9 1.0 2.4 84 86 A S H X S+ 0 0 0 -4,-2.7 4,-2.7 2,-0.2 5,-0.4 0.931 111.9 51.3 -64.2 -43.3 7.4 2.5 2.1 85 87 A L H X S+ 0 0 0 -4,-2.5 4,-1.7 1,-0.2 -1,-0.2 0.888 113.7 45.0 -61.9 -36.5 7.2 2.9 -1.7 86 88 A A H X S+ 0 0 2 -4,-2.4 4,-1.7 -5,-0.2 -1,-0.2 0.898 114.5 48.9 -70.8 -42.6 3.9 4.8 -1.3 87 89 A H H X S+ 0 0 2 -4,-2.5 4,-1.4 -5,-0.2 -2,-0.2 0.973 118.2 36.5 -60.5 -56.0 5.2 6.9 1.6 88 90 A L H X S+ 0 0 0 -4,-2.7 4,-1.6 1,-0.2 -1,-0.2 0.838 112.3 60.8 -73.1 -28.9 8.4 8.1 -0.0 89 91 A G H X>S+ 0 0 0 -4,-1.7 5,-2.2 -5,-0.4 4,-0.7 0.900 101.4 53.2 -62.3 -40.7 6.8 8.3 -3.5 90 92 A A H ><5S+ 0 0 18 -4,-1.7 3,-1.2 1,-0.2 -1,-0.2 0.933 107.2 51.0 -60.4 -47.3 4.3 10.9 -2.3 91 93 A I H 3<5S+ 0 0 14 -4,-1.4 -1,-0.2 1,-0.3 -2,-0.2 0.907 112.1 47.1 -57.0 -42.7 7.0 13.2 -0.9 92 94 A R H 3<5S- 0 0 54 -4,-1.6 -1,-0.3 2,-0.1 -2,-0.2 0.484 117.6-111.4 -84.3 -4.2 9.0 13.0 -4.2 93 95 A G T <<5 + 0 0 52 -3,-1.2 2,-0.3 -4,-0.7 -3,-0.2 0.575 67.4 142.9 85.8 13.6 5.9 13.7 -6.3 94 96 A Y < - 0 0 11 -5,-2.2 2,-0.4 -6,-0.2 -1,-0.3 -0.640 53.5-124.3 -81.5 143.2 5.6 10.3 -8.0 95 97 A K E -n 72 0D 113 -24,-0.6 -22,-2.2 -2,-0.3 2,-0.4 -0.698 32.4-161.1 -75.0 130.9 2.2 8.7 -8.7 96 98 A V E -n 73 0D 6 -2,-0.4 22,-2.9 20,-0.3 2,-0.5 -0.989 10.1-166.8-120.1 130.5 2.4 5.3 -7.0 97 99 A I E -np 74 118D 7 -24,-2.9 -22,-2.4 -2,-0.4 2,-0.5 -0.985 6.0-167.6-117.9 122.4 0.1 2.4 -7.9 98 100 A I E -np 75 119D 0 20,-2.9 22,-2.7 -2,-0.5 2,-0.4 -0.957 4.7-158.1-111.3 123.6 -0.1 -0.6 -5.5 99 101 A T E +np 76 120D 0 -24,-2.1 -22,-1.0 -2,-0.5 22,-0.2 -0.868 25.4 151.3 -95.0 134.4 -1.7 -3.9 -6.5 100 102 A M E - p 0 121D 0 20,-2.2 22,-1.4 -2,-0.4 28,-0.1 -0.980 46.9 -85.9-156.2 152.2 -2.9 -6.3 -3.7 101 103 A P E > - p 0 122D 0 0, 0.0 3,-1.8 0, 0.0 23,-0.1 -0.239 33.0-122.4 -57.6 147.3 -5.6 -8.9 -3.1 102 104 A E T 3 S+ 0 0 76 20,-2.6 19,-0.1 1,-0.3 22,-0.0 0.648 107.1 73.2 -60.3 -18.3 -9.1 -7.9 -2.0 103 105 A S T 3 S+ 0 0 48 19,-0.3 -1,-0.3 2,-0.0 3,-0.1 0.659 73.3 99.2 -76.8 -16.5 -8.5 -10.2 1.0 104 106 A M S < S- 0 0 19 -3,-1.8 5,-0.1 1,-0.1 -4,-0.0 -0.350 88.1 -84.6 -65.8 154.5 -6.0 -7.8 2.7 105 107 A S > - 0 0 35 510,-2.1 4,-1.5 1,-0.1 3,-0.2 -0.147 22.3-125.2 -61.4 151.8 -7.4 -5.7 5.5 106 108 A L H > S+ 0 0 76 1,-0.2 4,-3.1 2,-0.2 5,-0.2 0.838 113.0 63.5 -57.1 -39.4 -9.1 -2.4 5.0 107 109 A E H > S+ 0 0 55 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.912 103.0 47.8 -54.1 -43.6 -6.5 -1.0 7.4 108 110 A R H > S+ 0 0 24 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.819 112.2 48.2 -66.9 -38.0 -3.8 -1.9 4.9 109 111 A R H X S+ 0 0 24 -4,-1.5 4,-2.2 2,-0.2 -2,-0.2 0.914 112.1 51.6 -62.0 -43.4 -5.7 -0.3 2.0 110 112 A C H X S+ 0 0 1 -4,-3.1 4,-2.4 2,-0.2 -2,-0.2 0.920 106.2 52.7 -64.2 -44.5 -6.3 2.8 4.2 111 113 A L H X S+ 0 0 3 -4,-2.5 4,-1.0 1,-0.2 -1,-0.2 0.928 112.6 44.5 -57.0 -50.1 -2.6 3.2 5.1 112 114 A L H ><>S+ 0 0 0 -4,-1.5 5,-1.6 1,-0.2 3,-0.6 0.885 112.9 51.3 -61.1 -43.8 -1.5 3.1 1.4 113 115 A R H ><5S+ 0 0 64 -4,-2.2 3,-1.4 1,-0.2 -1,-0.2 0.816 97.8 66.3 -69.1 -26.8 -4.3 5.5 0.5 114 116 A I H 3<5S+ 0 0 0 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.881 101.1 51.1 -57.5 -38.5 -3.3 8.0 3.2 115 117 A F T <<5S- 0 0 4 -4,-1.0 -1,-0.3 -3,-0.6 -2,-0.2 0.614 124.1-108.2 -71.5 -12.2 -0.1 8.5 1.2 116 118 A G T < 5 + 0 0 36 -3,-1.4 -20,-0.3 -4,-0.3 -3,-0.2 0.515 66.1 153.5 90.1 10.0 -2.1 9.1 -2.0 117 119 A A < - 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