==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-JAN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE/OXIDOREDUCTASE INHIBITOR 16-JUL-10 3NZA . COMPND 2 MOLECULE: DIHYDROFOLATE REDUCTASE; . SOURCE 2 ORGANISM_SCIENTIFIC: PNEUMOCYSTIS CARINII; . AUTHOR V.CODY . 206 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11431.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 134 65.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 33 16.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 19 9.2 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 . 1 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 1.0 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 . 1 0.5 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 . 20 9.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 19 9.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 39 18.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 0.5 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 0 0 1 0 1 1 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 2 0 1 1 0 1 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 2 1 0 0 0 1 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 . 1 0 0 0 0 0 0 1 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 X M 0 0 212 0, 0.0 105,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 65.8 -8.8 15.2 26.0 2 2 X N + 0 0 29 104,-0.0 2,-0.6 0, 0.0 3,-0.3 0.240 360.0 72.0-171.2 -36.9 -5.6 13.2 25.2 3 3 X Q + 0 0 76 1,-0.2 3,-0.0 133,-0.0 96,-0.0 -0.243 66.5 108.2 -94.6 48.0 -6.4 9.5 25.6 4 4 X Q + 0 0 88 -2,-0.6 -1,-0.2 1,-0.1 2,-0.2 0.963 63.8 54.9 -81.8 -64.0 -8.4 9.3 22.5 5 5 X K S S- 0 0 74 -3,-0.3 -1,-0.1 1,-0.1 114,-0.0 -0.430 77.0-124.1 -86.4 142.7 -6.3 7.3 20.1 6 6 X S - 0 0 47 -2,-0.2 114,-0.6 1,-0.1 2,-0.3 -0.300 26.6-126.7 -63.1 158.0 -4.8 3.9 20.6 7 7 X L E -ab 120 138A 0 130,-2.6 132,-2.3 128,-0.1 133,-0.8 -0.838 14.8-154.1-107.8 155.6 -1.1 3.4 20.1 8 8 X T E -ab 121 140A 5 112,-1.6 114,-2.8 -2,-0.3 2,-0.4 -0.990 4.9-151.3-130.7 130.7 0.7 0.8 17.9 9 9 X L E -ab 122 141A 0 131,-2.9 133,-3.2 -2,-0.4 2,-0.4 -0.850 10.0-165.3 -99.1 135.9 4.1 -0.5 18.5 10 10 X I E + b 0 142A 3 112,-2.6 2,-0.3 -2,-0.4 133,-0.2 -0.996 20.5 152.4-123.0 136.0 6.2 -1.6 15.5 11 11 X V E - b 0 143A 8 131,-2.2 133,-2.6 -2,-0.4 2,-0.5 -0.993 38.6-142.9-162.4 146.3 9.4 -3.7 15.9 12 12 X A E + b 0 144A 17 -2,-0.3 2,-0.3 131,-0.2 133,-0.2 -0.974 40.1 163.0-114.7 126.6 11.6 -6.3 14.2 13 13 X L E - b 0 145A 0 131,-2.8 133,-2.8 -2,-0.5 6,-0.2 -0.979 34.3-113.5-146.9 160.9 12.9 -8.8 16.8 14 14 X T E > - b 0 146A 1 4,-1.7 3,-2.3 -2,-0.3 133,-0.2 -0.353 41.5 -98.9 -89.0 171.8 14.5 -12.3 17.1 15 15 X T T 3 S+ 0 0 62 131,-1.4 134,-0.1 1,-0.3 132,-0.1 0.713 129.8 53.7 -60.7 -17.2 12.9 -15.4 18.6 16 16 X S T 3 S- 0 0 53 132,-0.3 -1,-0.3 134,-0.1 133,-0.1 0.278 123.9-108.5 -97.0 6.6 15.0 -14.4 21.7 17 17 X Y < + 0 0 12 -3,-2.3 139,-2.9 1,-0.3 2,-0.2 0.600 64.2 158.5 77.7 10.3 13.5 -11.0 21.7 18 18 X G E +I 155 0B 0 137,-0.2 -4,-1.7 1,-0.1 -1,-0.3 -0.501 10.8 164.9 -62.6 132.5 16.7 -9.4 20.5 19 19 X I E + 0 0 17 135,-2.6 2,-0.3 1,-0.3 136,-0.2 0.537 55.7 4.1-126.0 -10.7 16.2 -6.0 18.8 20 20 X G E -I 154 0B 9 134,-1.3 133,-1.9 5,-0.2 134,-1.3 -0.987 47.9-163.0-163.8 168.7 19.5 -4.2 18.6 21 21 X R S S- 0 0 105 3,-2.2 2,-1.9 -2,-0.3 131,-0.1 -0.229 75.2 -2.5-129.0-135.2 23.3 -4.4 19.1 22 22 X S S S- 0 0 86 1,-0.2 3,-0.1 -2,-0.1 -1,-0.1 -0.495 128.1 -56.6 -62.7 86.0 26.0 -1.8 19.4 23 23 X N S S+ 0 0 88 -2,-1.9 2,-0.3 1,-0.1 -1,-0.2 0.485 122.7 65.6 29.2 35.8 23.5 1.0 18.6 24 24 X S S S- 0 0 61 41,-0.0 -3,-2.2 0, 0.0 -1,-0.1 -0.834 93.9 -71.2-149.7-173.2 22.2 -0.3 15.3 25 25 X L - 0 0 84 -2,-0.3 -5,-0.2 -5,-0.2 -3,-0.0 -0.726 33.9-137.9 -87.4 139.7 20.2 -3.2 13.9 26 26 X P S S+ 0 0 35 0, 0.0 2,-0.3 0, 0.0 125,-0.1 0.211 83.0 46.9 -86.1 23.4 22.0 -6.4 13.8 27 27 X W S S- 0 0 26 123,-0.1 2,-0.5 2,-0.0 -2,-0.1 -0.942 70.9-133.6-148.8 162.9 20.7 -7.3 10.3 28 28 X K + 0 0 148 -2,-0.3 2,-0.5 165,-0.2 0, 0.0 -0.925 34.4 161.7-122.2 101.2 20.3 -5.6 6.8 29 29 X L > - 0 0 7 -2,-0.5 4,-2.7 1,-0.2 5,-0.3 -0.830 13.2-179.9-128.0 90.7 16.8 -6.3 5.5 30 30 X K H > S+ 0 0 176 -2,-0.5 4,-1.7 1,-0.2 -1,-0.2 0.874 85.0 47.5 -68.5 -37.1 15.9 -3.8 2.8 31 31 X K H > S+ 0 0 142 2,-0.2 4,-1.9 1,-0.1 -1,-0.2 0.897 109.2 54.5 -70.1 -34.7 12.5 -5.3 2.3 32 32 X E H >> S+ 0 0 11 1,-0.2 4,-2.6 2,-0.2 3,-0.6 0.971 109.0 47.7 -63.4 -53.3 11.8 -5.3 6.0 33 33 X I H 3X S+ 0 0 88 -4,-2.7 4,-3.1 1,-0.2 -1,-0.2 0.892 108.6 56.4 -47.3 -43.5 12.6 -1.6 6.2 34 34 X S H 3X S+ 0 0 57 -4,-1.7 4,-2.5 -5,-0.3 -1,-0.2 0.880 107.5 47.1 -60.2 -37.9 10.3 -1.2 3.2 35 35 X Y H - 0 0 43 0, 0.0 4,-1.3 0, 0.0 3,-0.2 -0.150 36.2-114.5 -51.0 149.9 -6.5 5.6 3.9 45 45 X T T >4 S+ 0 0 113 1,-0.2 3,-0.8 2,-0.2 4,-0.5 0.910 111.4 49.9 -59.8 -51.7 -7.2 7.5 0.7 46 46 X F G >4 S+ 0 0 171 1,-0.2 3,-0.5 2,-0.2 -1,-0.2 0.899 119.2 41.0 -54.2 -40.6 -10.2 9.6 1.7 47 47 X D G >> S+ 0 0 61 -3,-0.2 4,-1.9 1,-0.2 3,-1.1 0.627 96.2 80.4 -77.8 -20.1 -8.3 10.7 4.8 48 48 X S G << S+ 0 0 64 -4,-1.3 -1,-0.2 -3,-0.8 -2,-0.2 0.540 74.1 77.2 -77.2 -6.1 -4.9 11.2 3.0 49 49 X F G <4 S- 0 0 171 -3,-0.5 -1,-0.3 -4,-0.5 -2,-0.1 0.926 123.3 -0.6 -58.7 -47.2 -5.9 14.5 1.7 50 50 X E T <4 S+ 0 0 98 -3,-1.1 66,-2.6 -4,-0.2 2,-0.3 0.370 112.4 94.7-128.6 -0.4 -5.2 16.1 5.1 51 51 X S E < +c 116 0A 26 -4,-1.9 2,-0.3 64,-0.2 66,-0.2 -0.808 40.1 179.2-110.2 140.3 -4.0 13.3 7.5 52 52 X M E -c 117 0A 56 64,-3.3 66,-3.4 -2,-0.3 2,-0.2 -0.944 24.2-125.0-128.9 152.3 -0.5 12.0 8.6 53 53 X N E - 0 0 2 21,-0.4 23,-2.0 -2,-0.3 2,-0.4 -0.600 24.3-130.0 -90.3 165.4 0.7 9.3 11.0 54 54 X V E -cd 120 76A 0 65,-2.3 67,-2.7 21,-0.2 2,-0.5 -0.889 9.3-154.6-116.4 138.2 3.1 10.0 13.8 55 55 X V E -cd 121 77A 0 21,-2.9 23,-2.4 -2,-0.4 2,-0.5 -0.971 9.6-164.2-111.5 121.4 6.3 8.1 14.7 56 56 X L E +cd 122 78A 0 65,-3.5 67,-3.0 -2,-0.5 68,-0.6 -0.881 19.1 165.8-100.0 134.7 7.4 8.3 18.3 57 57 X M E -cd 124 79A 0 21,-2.2 23,-2.5 -2,-0.5 68,-0.2 -0.987 35.8-106.6-146.6 154.8 11.0 7.2 19.1 58 58 X G E > - d 0 80A 11 66,-2.5 4,-2.2 -2,-0.3 23,-0.2 -0.280 35.9-114.1 -69.0 161.4 13.7 7.3 21.7 59 59 X R H > S+ 0 0 93 21,-1.0 4,-2.4 2,-0.2 5,-0.2 0.947 118.8 56.0 -62.8 -50.7 16.6 9.6 21.4 60 60 X K H > S+ 0 0 108 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.866 111.2 47.5 -49.4 -40.0 19.0 6.6 21.0 61 61 X T H > S+ 0 0 26 2,-0.2 4,-0.9 1,-0.2 -1,-0.2 0.855 107.4 52.2 -68.5 -42.1 16.7 5.5 18.1 62 62 X W H < S+ 0 0 19 -4,-2.2 3,-0.4 1,-0.2 -2,-0.2 0.894 114.5 46.0 -57.5 -38.7 16.6 8.9 16.4 63 63 X E H < S+ 0 0 88 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.818 106.5 58.2 -74.1 -34.0 20.5 8.8 16.5 64 64 X S H < S+ 0 0 44 -4,-1.4 -1,-0.2 -5,-0.2 -2,-0.2 0.639 86.5 90.6 -73.5 -16.4 20.7 5.2 15.3 65 65 X I S < S- 0 0 24 -4,-0.9 5,-0.1 -3,-0.4 -41,-0.0 -0.651 96.8-100.9 -80.0 135.9 18.9 6.1 12.1 66 66 X P > - 0 0 75 0, 0.0 3,-2.8 0, 0.0 4,-0.5 -0.331 31.8-118.1 -55.6 136.1 21.4 7.1 9.3 67 67 X L G > S+ 0 0 133 1,-0.3 3,-1.3 2,-0.2 -2,-0.1 0.829 111.6 64.5 -45.9 -35.9 21.4 10.9 9.2 68 68 X Q G 3 S+ 0 0 146 1,-0.2 -1,-0.3 0, 0.0 -3,-0.0 0.690 100.6 50.0 -65.2 -16.6 20.1 10.7 5.5 69 69 X F G < S+ 0 0 100 -3,-2.8 4,-0.5 3,-0.1 -1,-0.2 0.477 89.9 135.9-102.3 -1.1 16.8 9.1 6.6 70 70 X R < + 0 0 68 -3,-1.3 2,-0.2 -4,-0.5 -8,-0.0 -0.784 56.8 33.7-104.2 143.3 15.9 11.7 9.3 71 71 X P S S- 0 0 30 0, 0.0 2,-0.1 0, 0.0 3,-0.1 0.624 105.3-111.1 -62.6 149.1 13.3 13.0 10.0 72 72 X L > - 0 0 15 -2,-0.2 3,-1.3 1,-0.1 -2,-0.2 -0.332 49.2-108.0 -52.5 116.1 11.5 9.9 8.8 73 73 X K T 3 S+ 0 0 150 -4,-0.5 -1,-0.1 1,-0.2 3,-0.1 -0.156 88.4 6.6 -60.2 135.9 10.0 11.3 5.7 74 74 X G T 3 S+ 0 0 60 1,-0.2 -21,-0.4 -3,-0.1 2,-0.4 0.612 109.3 93.1 74.4 7.1 6.3 12.1 5.4 75 75 X R S < S- 0 0 14 -3,-1.3 2,-0.6 -23,-0.1 -21,-0.2 -0.990 84.0-110.0-128.5 149.1 5.5 11.2 9.1 76 76 X I E -d 54 0A 8 -23,-2.0 -21,-2.9 -2,-0.4 2,-0.4 -0.645 39.7-153.1 -78.4 117.0 5.4 13.6 12.1 77 77 X N E -d 55 0A 4 -2,-0.6 16,-0.7 -23,-0.2 2,-0.4 -0.792 16.5-178.2 -96.9 132.9 8.5 12.6 14.1 78 78 X V E -de 56 93A 0 -23,-2.4 -21,-2.2 -2,-0.4 2,-0.4 -0.991 12.3-154.8-128.8 125.4 8.6 13.1 17.8 79 79 X V E -de 57 94A 2 14,-3.1 16,-2.4 -2,-0.4 2,-0.6 -0.865 10.9-144.4 -98.7 133.9 11.7 12.2 19.8 80 80 X I E +de 58 95A 24 -23,-2.5 -21,-1.0 -2,-0.4 2,-0.4 -0.904 31.9 157.7 -99.9 116.2 11.2 11.4 23.4 81 81 X T - 0 0 21 14,-2.5 2,-1.0 -2,-0.6 16,-0.1 -0.962 43.6-141.5-149.2 122.0 14.1 12.6 25.6 82 82 X R S S+ 0 0 219 -2,-0.4 2,-0.2 1,-0.2 14,-0.1 0.090 96.9 64.1 -63.5 26.9 14.0 13.3 29.4 83 83 X N - 0 0 113 -2,-1.0 2,-1.1 12,-0.1 -1,-0.2 -0.635 69.2-166.3-167.7 71.6 16.3 16.3 28.6 84 84 X E + 0 0 115 -2,-0.2 12,-0.1 1,-0.1 -2,-0.0 -0.721 45.3 114.1 -83.7 93.5 14.7 18.9 26.4 85 85 X S S S- 0 0 91 -2,-1.1 -1,-0.1 3,-0.0 -2,-0.0 0.365 73.2 -30.5-131.9-124.6 17.8 21.0 25.3 86 86 X L S S+ 0 0 147 0, 0.0 -2,-0.1 0, 0.0 0, 0.0 0.699 74.4 128.4 -98.2 -23.2 19.9 21.9 22.2 87 87 X D - 0 0 84 1,-0.1 0, 0.0 2,-0.0 0, 0.0 -0.007 53.9-140.6 -28.6 148.3 19.5 18.9 19.9 88 88 X L + 0 0 135 3,-0.0 -1,-0.1 2,-0.0 -3,-0.0 0.235 27.1 161.6 -94.8-167.3 18.4 20.4 16.6 89 89 X G > - 0 0 49 2,-0.1 3,-0.6 1,-0.1 -2,-0.0 0.262 49.0-101.6 142.4 132.7 16.3 20.2 13.5 90 90 X N T 3 S- 0 0 141 1,-0.3 -1,-0.1 2,-0.0 -2,-0.0 0.526 115.7 -32.8 -52.4 -13.3 14.4 21.0 10.3 91 91 X G T 3 S+ 0 0 54 -3,-0.0 2,-0.6 2,-0.0 -1,-0.3 0.251 92.2 171.7 177.2 37.5 11.0 21.1 12.2 92 92 X I < - 0 0 33 -3,-0.6 -14,-0.1 1,-0.1 -16,-0.0 -0.561 24.7-139.7 -97.4 106.0 11.6 18.4 14.9 93 93 X H E -e 78 0A 42 -16,-0.7 -14,-3.1 -2,-0.6 2,-0.4 -0.156 16.3-170.2 -57.4 134.3 9.4 17.6 17.9 94 94 X S E +e 79 0A 41 -16,-0.2 2,-0.3 -14,-0.1 -14,-0.2 -0.975 7.6 173.0-124.1 128.3 10.8 16.8 21.3 95 95 X A E -e 80 0A 2 -16,-2.4 -14,-2.5 -2,-0.4 -12,-0.1 -0.996 32.1-139.3-134.3 156.0 8.8 15.5 24.4 96 96 X K S S+ 0 0 99 -2,-0.3 2,-0.3 -16,-0.2 -16,-0.1 0.602 84.7 9.6 -88.2 -9.5 10.0 14.3 27.7 97 97 X S S > S- 0 0 36 1,-0.1 4,-2.7 -16,-0.1 5,-0.1 -0.975 78.3-100.7-156.6 172.8 7.5 11.4 27.9 98 98 X L H > S+ 0 0 11 -2,-0.3 4,-2.1 1,-0.2 5,-0.1 0.943 124.1 44.9 -65.1 -45.6 5.1 9.3 25.9 99 99 X D H > S+ 0 0 67 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.849 111.4 52.0 -68.0 -33.0 2.2 11.2 27.5 100 100 X H H > S+ 0 0 87 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.855 108.2 54.3 -68.4 -37.1 3.9 14.6 27.0 101 101 X A H X S+ 0 0 0 -4,-2.7 4,-2.4 2,-0.2 -2,-0.2 0.933 108.4 47.5 -53.6 -51.3 4.3 13.6 23.4 102 102 X L H X S+ 0 0 2 -4,-2.1 4,-3.0 1,-0.2 5,-0.2 0.935 112.1 49.5 -60.1 -48.9 0.6 12.9 23.0 103 103 X E H X S+ 0 0 89 -4,-2.4 4,-2.0 1,-0.2 -1,-0.2 0.912 110.8 50.1 -54.8 -44.7 -0.3 16.2 24.7 104 104 X L H X S+ 0 0 27 -4,-2.3 4,-3.1 2,-0.2 -2,-0.2 0.917 113.0 47.6 -60.2 -41.2 2.1 18.1 22.4 105 105 X L H X S+ 0 0 0 -4,-2.4 4,-2.7 1,-0.2 -2,-0.2 0.957 112.3 47.1 -69.9 -43.9 0.6 16.4 19.3 106 106 X Y H < S+ 0 0 35 -4,-3.0 -1,-0.2 1,-0.2 -2,-0.2 0.856 116.7 45.4 -68.7 -27.4 -3.0 17.0 20.3 107 107 X R H >< S+ 0 0 150 -4,-2.0 3,-0.6 -5,-0.2 -2,-0.2 0.924 119.2 40.7 -71.9 -49.1 -2.1 20.7 21.0 108 108 X T H 3< S+ 0 0 54 -4,-3.1 -2,-0.2 1,-0.2 -3,-0.2 0.720 122.4 39.2 -72.1 -29.0 -0.1 21.1 17.8 109 109 X Y T 3< S+ 0 0 39 -4,-2.7 8,-0.5 -5,-0.2 -1,-0.2 -0.433 80.7 135.4-124.5 54.0 -2.5 19.2 15.5 110 110 X G S X S- 0 0 24 -3,-0.6 3,-2.5 1,-0.1 2,-0.7 -0.410 77.6 -73.9 -88.1 169.9 -6.0 20.1 16.6 111 111 X S T 3 S+ 0 0 103 1,-0.3 3,-0.1 -2,-0.1 -1,-0.1 -0.700 130.2 62.1 -59.3 111.5 -8.9 21.0 14.3 112 112 X E T 3 S+ 0 0 194 1,-0.7 2,-0.3 -2,-0.7 -1,-0.3 -0.072 88.6 89.7 140.0 -21.1 -7.3 24.4 13.6 113 113 X S S < S- 0 0 35 -3,-2.5 -1,-0.7 2,-0.1 -4,-0.1 -0.767 74.0-139.9-100.6 146.2 -4.2 22.8 12.0 114 114 X S S S+ 0 0 109 -2,-0.3 2,-0.5 -3,-0.1 -1,-0.1 0.756 91.8 67.9 -78.3 -23.8 -4.0 22.0 8.3 115 115 X V S S- 0 0 47 -5,-0.1 2,-0.3 -64,-0.0 -64,-0.2 -0.857 71.7-165.8-100.4 128.2 -2.3 18.7 9.2 116 116 X Q E - 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