==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=8-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 16-MAR-99 3CD2 . COMPND 2 MOLECULE: DIHYDROFOLATE REDUCTASE; . SOURCE 2 ORGANISM_SCIENTIFIC: PNEUMOCYSTIS CARINII; . AUTHOR V.CODY,N.GALITSKY,D.RAK,J.LUFT,W.PANGBORN,S.QUEENER . 207 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11491.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 134 64.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 33 15.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 21 10.1 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 . 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 . 19 9.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 21 10.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 38 18.4 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 1 0 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 . 1 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 A M 0 0 212 0, 0.0 3,-0.2 0, 0.0 105,-0.1 0.000 360.0 360.0 360.0 -51.3 -7.8 20.1 26.0 2 2 A N + 0 0 58 1,-0.2 2,-0.3 104,-0.1 104,-0.1 0.762 360.0 28.1-102.5 -38.4 -4.7 18.1 26.6 3 3 A Q + 0 0 61 1,-0.1 -1,-0.2 100,-0.0 100,-0.0 -0.821 60.0 138.4-130.6 93.9 -5.6 14.8 25.1 4 4 A Q + 0 0 141 -2,-0.3 2,-0.1 -3,-0.2 -1,-0.1 0.824 67.7 49.0 -99.4 -47.3 -8.1 14.6 22.2 5 5 A K S S- 0 0 65 1,-0.1 2,-0.2 114,-0.0 114,-0.1 -0.348 85.4-108.9 -90.1 174.1 -6.5 12.1 20.0 6 6 A S - 0 0 45 -2,-0.1 114,-0.5 132,-0.0 2,-0.3 -0.704 34.0-118.9 -93.9 153.5 -5.0 8.6 20.7 7 7 A L E -ab 120 138A 0 130,-2.4 132,-2.0 -2,-0.2 133,-0.9 -0.789 22.1-162.1 -98.5 147.5 -1.3 8.1 20.6 8 8 A T E -ab 121 140A 6 112,-1.6 114,-2.4 -2,-0.3 2,-0.4 -0.959 4.6-155.4-125.3 137.6 0.4 5.7 18.2 9 9 A L E -ab 122 141A 0 131,-2.2 133,-3.7 -2,-0.4 2,-0.5 -0.927 4.1-162.6-112.6 138.2 4.0 4.4 18.7 10 10 A I E + b 0 142A 0 112,-2.0 2,-0.3 -2,-0.4 133,-0.2 -0.996 22.4 154.0-127.7 125.8 6.1 3.2 15.8 11 11 A V E - b 0 143A 1 131,-2.9 133,-1.7 -2,-0.5 2,-0.4 -0.942 35.6-147.0-145.7 164.3 9.2 1.1 16.5 12 12 A A E + b 0 144A 6 -2,-0.3 2,-0.3 131,-0.2 133,-0.2 -0.984 35.3 167.0-130.5 120.1 11.4 -1.6 14.8 13 13 A L E - b 0 145A 1 131,-2.6 133,-2.0 -2,-0.4 6,-0.2 -0.951 35.4-115.8-140.0 159.8 12.8 -4.1 17.4 14 14 A T E > - b 0 146A 2 4,-1.9 3,-2.0 -2,-0.3 133,-0.2 -0.353 45.6 -97.8 -82.8 170.6 14.6 -7.4 17.5 15 15 A T T 3 S+ 0 0 62 131,-1.0 134,-0.1 133,-0.6 132,-0.1 0.647 128.8 56.5 -63.0 -14.2 12.8 -10.4 19.2 16 16 A S T 3 S- 0 0 53 2,-0.1 -1,-0.3 134,-0.1 133,-0.0 0.087 122.1-109.3-102.0 14.7 14.8 -9.6 22.3 17 17 A Y < + 0 0 8 -3,-2.0 139,-2.9 1,-0.2 2,-0.3 0.462 64.8 152.1 61.1 20.7 13.3 -6.0 22.3 18 18 A G E +I 155 0B 0 137,-0.2 -4,-1.9 1,-0.1 137,-0.3 -0.583 14.9 169.5 -77.1 134.5 16.6 -4.2 21.3 19 19 A I E + 0 0 16 135,-2.8 2,-0.3 -2,-0.3 136,-0.2 0.490 57.6 16.2-121.0 -15.9 16.0 -0.9 19.4 20 20 A G E -I 154 0B 7 134,-1.3 133,-1.7 5,-0.1 134,-1.1 -0.951 42.8-170.4-154.1 174.5 19.5 0.7 19.3 21 21 A R B > S+J 24 0C 109 3,-1.7 3,-1.2 131,-0.3 131,-0.0 -0.792 81.4 3.2-171.7 127.1 23.3 0.4 19.7 22 22 A S T 3 S- 0 0 84 1,-0.3 3,-0.1 -2,-0.2 130,-0.0 0.841 124.8 -65.0 53.5 47.0 25.9 3.3 19.8 23 23 A N T 3 S+ 0 0 106 1,-0.2 -1,-0.3 0, 0.0 2,-0.2 0.734 123.9 89.8 49.8 31.6 23.1 5.9 19.6 24 24 A S B < S-J 21 0C 75 -3,-1.2 -3,-1.7 0, 0.0 -1,-0.2 -0.697 91.1 -88.4-135.8-176.1 22.4 4.5 16.2 25 25 A L - 0 0 47 -2,-0.2 -5,-0.1 -5,-0.2 127,-0.0 -0.917 29.3-138.8-101.9 121.7 20.3 1.8 14.6 26 26 A P S S+ 0 0 37 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 0.640 84.3 51.4 -58.4 -7.8 22.1 -1.6 14.6 27 27 A W - 0 0 23 123,-0.1 2,-0.4 2,-0.0 -2,-0.2 -0.787 66.9-142.1-131.2 170.0 20.7 -2.0 11.1 28 28 A K + 0 0 147 -2,-0.2 2,-0.7 165,-0.1 4,-0.0 -0.867 27.8 167.0-131.6 93.2 20.2 -0.4 7.6 29 29 A L > - 0 0 9 -2,-0.4 4,-2.6 1,-0.2 5,-0.2 -0.829 18.3-175.0-117.6 104.9 16.9 -1.1 6.0 30 30 A K H > S+ 0 0 157 -2,-0.7 4,-1.4 1,-0.2 -1,-0.2 0.928 92.8 41.9 -62.2 -42.0 15.8 0.9 2.9 31 31 A K H > S+ 0 0 139 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.854 111.2 56.0 -75.6 -30.8 12.3 -0.7 2.8 32 32 A E H > S+ 0 0 0 1,-0.2 4,-2.0 2,-0.2 3,-0.3 0.947 110.1 46.2 -62.6 -50.2 11.9 -0.5 6.6 33 33 A I H X S+ 0 0 47 -4,-2.6 4,-2.5 1,-0.2 -1,-0.2 0.790 110.4 52.9 -62.8 -32.7 12.6 3.3 6.4 34 34 A S H X S+ 0 0 53 -4,-1.4 4,-2.4 2,-0.2 -1,-0.2 0.833 107.8 50.2 -71.0 -38.4 10.2 3.8 3.4 35 35 A Y H X S+ 0 0 7 -4,-1.9 4,-3.0 -3,-0.3 5,-0.3 0.911 109.6 54.6 -62.8 -42.0 7.4 2.0 5.4 36 36 A F H X S+ 0 0 0 -4,-2.0 4,-2.4 1,-0.2 5,-0.2 0.978 111.2 42.3 -52.0 -65.0 8.3 4.4 8.2 37 37 A K H X S+ 0 0 107 -4,-2.5 4,-1.5 1,-0.2 5,-0.3 0.862 115.2 51.3 -43.3 -50.2 7.8 7.5 5.9 38 38 A R H >X S+ 0 0 91 -4,-2.4 4,-1.9 2,-0.2 3,-0.5 0.965 111.8 44.4 -56.3 -61.2 4.7 6.0 4.4 39 39 A V H 3< S+ 0 0 0 -4,-3.0 -2,-0.2 1,-0.2 -1,-0.2 0.911 118.8 41.6 -54.6 -51.8 2.9 5.3 7.7 40 40 A T H 3< S+ 0 0 0 -4,-2.4 -1,-0.2 -5,-0.3 -2,-0.2 0.539 118.6 44.6 -78.0 -11.3 3.8 8.6 9.4 41 41 A S H << S+ 0 0 42 -4,-1.5 -2,-0.2 -3,-0.5 -1,-0.2 0.623 86.8 108.7 -99.9 -29.1 3.1 10.9 6.3 42 42 A F < + 0 0 64 -4,-1.9 140,-0.1 -5,-0.3 10,-0.0 -0.330 34.5 159.9 -58.3 132.9 -0.1 9.3 5.1 43 43 A V - 0 0 12 139,-0.1 5,-0.2 75,-0.1 4,-0.1 -0.943 52.2 -86.2-153.1 132.7 -3.3 11.4 5.6 44 44 A P > - 0 0 47 0, 0.0 4,-1.0 0, 0.0 7,-0.2 -0.154 37.2-124.0 -46.7 137.4 -6.5 10.7 3.6 45 45 A T T >4 S+ 0 0 113 1,-0.5 3,-1.9 2,-0.3 4,-0.3 0.929 110.0 53.1 -47.7 -63.6 -6.6 12.5 0.3 46 46 A F T 34 S+ 0 0 175 1,-0.3 -1,-0.5 2,-0.2 4,-0.3 0.287 119.5 37.5 -44.9 -33.5 -9.9 14.4 0.9 47 47 A D T >> S+ 0 0 51 -4,-0.1 4,-2.3 3,-0.1 3,-0.7 0.750 90.0 95.6 -97.0 -9.6 -8.3 15.6 4.1 48 48 A S T << S+ 0 0 67 -3,-1.9 -2,-0.2 -4,-1.0 -3,-0.1 0.452 77.2 67.2 -57.8 -4.1 -4.8 15.9 2.5 49 49 A F T 34 S+ 0 0 180 -4,-0.3 -1,-0.2 3,-0.0 -3,-0.1 0.949 115.9 15.1 -81.2 -57.1 -5.8 19.6 2.0 50 50 A E T <4 S+ 0 0 117 -3,-0.7 66,-1.5 -4,-0.3 2,-0.2 0.774 109.9 85.5 -86.8 -39.9 -5.9 20.7 5.6 51 51 A S E < +c 116 0A 22 -4,-2.3 2,-0.3 64,-0.2 66,-0.2 -0.447 35.5 171.4 -94.7 155.7 -4.0 18.0 7.6 52 52 A M E -c 117 0A 63 64,-1.8 66,-2.9 -2,-0.2 23,-0.2 -0.933 28.2-127.4-138.4 153.9 -0.6 16.8 8.7 53 53 A N E - 0 0 1 21,-0.5 23,-2.8 -2,-0.3 2,-0.4 -0.478 27.9-114.3 -96.3 179.9 0.4 14.0 11.2 54 54 A V E -cd 120 76A 0 65,-2.2 67,-2.8 21,-0.2 2,-0.5 -0.956 17.0-163.4-126.5 140.0 2.7 14.5 14.1 55 55 A V E -cd 121 77A 0 21,-3.5 23,-2.4 -2,-0.4 2,-0.5 -0.964 12.9-172.0-118.5 114.5 6.2 13.0 14.8 56 56 A L E +cd 122 78A 0 65,-2.0 67,-2.4 -2,-0.5 68,-0.5 -0.979 15.2 163.1-110.9 130.4 7.1 13.4 18.4 57 57 A M E -cd 124 79A 0 21,-2.1 23,-3.3 -2,-0.5 68,-0.2 -0.918 35.9-111.9-145.9 162.5 10.7 12.4 19.2 58 58 A G E >> - d 0 80A 15 66,-1.3 4,-1.8 -2,-0.3 3,-0.9 -0.605 43.4 -97.2 -93.6 157.2 13.3 12.9 22.0 59 59 A R H 3> S+ 0 0 119 21,-1.3 4,-1.9 1,-0.3 5,-0.1 0.761 118.9 53.2 -44.0 -45.1 16.4 15.0 21.5 60 60 A K H 3> S+ 0 0 103 2,-0.2 4,-1.0 1,-0.2 -1,-0.3 0.857 107.4 50.5 -66.6 -37.9 18.8 12.2 20.7 61 61 A T H <> S+ 0 0 21 -3,-0.9 4,-1.7 1,-0.2 3,-0.4 0.870 108.7 53.4 -66.6 -41.9 16.7 10.8 18.0 62 62 A W H < S+ 0 0 29 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.893 109.1 48.7 -58.6 -44.9 16.4 14.2 16.5 63 63 A E H < S+ 0 0 97 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.715 109.8 54.0 -67.8 -24.0 20.3 14.4 16.5 64 64 A S H < S+ 0 0 52 -4,-1.0 -1,-0.2 -3,-0.4 -2,-0.2 0.787 82.1 99.8 -81.7 -35.4 20.6 11.0 14.8 65 65 A I S < S- 0 0 0 -4,-1.7 5,-0.1 1,-0.1 4,-0.0 -0.453 94.3 -94.2 -58.9 120.1 18.3 11.6 11.8 66 66 A P > - 0 0 53 0, 0.0 3,-3.4 0, 0.0 4,-0.3 -0.075 32.1-130.8 -38.4 119.7 20.4 12.4 8.7 67 67 A L T 3 S+ 0 0 131 1,-0.3 3,-0.2 2,-0.2 -2,-0.1 0.551 108.0 61.9 -53.1 -17.0 20.7 16.2 8.7 68 68 A Q T 3 S+ 0 0 144 1,-0.2 -1,-0.3 0, 0.0 -3,-0.0 0.534 108.1 43.0 -84.9 -17.6 19.6 16.0 5.1 69 69 A F S < S+ 0 0 95 -3,-3.4 4,-0.2 3,-0.0 -2,-0.2 0.228 91.2 132.7-114.1 8.5 16.4 14.4 6.1 70 70 A R + 0 0 55 -4,-0.3 2,-0.1 -3,-0.2 3,-0.0 -0.958 57.0 40.7-111.8 128.7 15.6 16.7 9.1 71 71 A P S S- 0 0 60 0, 0.0 2,-0.2 0, 0.0 5,-0.0 0.469 101.9-113.3 -74.0 159.3 13.0 17.9 9.6 72 72 A L > - 0 0 4 -2,-0.1 3,-1.0 1,-0.1 -2,-0.1 -0.501 42.2-119.8 -60.2 119.0 10.9 15.0 8.6 73 73 A K T 3 S+ 0 0 160 1,-0.2 -1,-0.1 -2,-0.2 3,-0.1 -0.382 86.6 12.2 -68.1 139.9 9.2 16.4 5.5 74 74 A G T 3 S+ 0 0 50 1,-0.1 -21,-0.5 -2,-0.1 2,-0.4 0.342 107.9 91.0 77.4 -1.5 5.4 16.6 5.4 75 75 A R S < S- 0 0 9 -3,-1.0 2,-0.5 -23,-0.2 -21,-0.2 -0.966 83.6-106.2-127.2 144.8 4.8 16.0 9.1 76 76 A I E -d 54 0A 11 -23,-2.8 -21,-3.5 -2,-0.4 2,-0.5 -0.481 42.9-153.0 -69.0 118.0 4.5 18.3 12.2 77 77 A N E +d 55 0A 8 -2,-0.5 16,-1.2 14,-0.2 2,-0.4 -0.820 18.5 176.9 -97.0 130.1 7.8 17.7 13.9 78 78 A V E -de 56 93A 0 -23,-2.4 -21,-2.1 -2,-0.5 2,-0.4 -0.978 14.9-154.5-136.4 121.0 8.2 18.1 17.7 79 79 A V E -de 57 94A 1 14,-2.0 16,-1.1 -2,-0.4 2,-0.5 -0.839 13.2-140.9 -95.6 131.6 11.3 17.4 19.8 80 80 A I E +de 58 95A 22 -23,-3.3 -21,-1.3 -2,-0.4 2,-0.3 -0.803 38.4 152.2 -93.0 122.7 10.9 16.6 23.5 81 81 A T - 0 0 17 14,-2.6 3,-0.2 -2,-0.5 14,-0.1 -0.944 40.6-165.7-157.3 134.9 13.6 18.2 25.6 82 82 A R S S+ 0 0 191 -2,-0.3 2,-1.7 1,-0.2 -1,-0.1 0.952 92.0 58.1 -79.8 -53.0 14.1 19.5 29.1 83 83 A N S S+ 0 0 154 1,-0.1 2,-0.4 13,-0.0 -1,-0.2 -0.661 72.0 145.3 -81.1 84.8 17.3 21.5 28.3 84 84 A E + 0 0 87 -2,-1.7 3,-0.1 -3,-0.2 -3,-0.1 -0.876 7.2 131.6-134.5 92.2 15.8 23.7 25.7 85 85 A S S S+ 0 0 105 -2,-0.4 2,-0.3 1,-0.1 -1,-0.1 0.793 88.9 11.5-100.4 -58.5 17.3 27.1 25.7 86 86 A L S S- 0 0 127 -3,-0.1 -1,-0.1 2,-0.0 -3,-0.0 -0.707 73.9-179.5-127.0 76.6 18.0 27.4 22.0 87 87 A D - 0 0 54 -2,-0.3 2,-0.6 -3,-0.1 7,-0.1 -0.465 30.1-124.8 -70.1 159.7 16.3 24.6 20.0 88 88 A L + 0 0 124 5,-0.1 2,-0.2 2,-0.0 -1,-0.1 -0.955 55.0 116.0-111.8 123.4 17.1 25.0 16.4 89 89 A G - 0 0 30 -2,-0.6 2,-1.0 -18,-0.0 5,-0.0 -0.789 57.8-137.1 174.4 142.1 14.1 25.1 14.1 90 90 A N S S- 0 0 165 -2,-0.2 3,-0.1 1,-0.2 -2,-0.0 -0.867 108.2 -22.7-104.0 84.4 12.2 27.2 11.6 91 91 A G S S+ 0 0 66 -2,-1.0 2,-0.6 1,-0.3 -14,-0.2 0.809 104.4 132.5 76.8 31.0 8.8 26.2 12.9 92 92 A I - 0 0 25 -16,-0.1 -1,-0.3 -14,-0.0 -14,-0.2 -0.982 51.1-139.2-113.5 113.4 10.0 23.0 14.5 93 93 A H E -e 78 0A 32 -16,-1.2 -14,-2.0 -2,-0.6 2,-0.3 -0.240 14.4-158.6 -75.0 165.9 8.6 23.0 18.0 94 94 A S E -e 79 0A 18 -16,-0.2 2,-0.3 -7,-0.1 -14,-0.2 -0.848 12.4-178.5-135.5 154.3 10.2 21.9 21.3 95 95 A A E -e 80 0A 7 -16,-1.1 -14,-2.6 -2,-0.3 6,-0.1 -0.918 32.4-127.9-160.6 146.3 8.2 20.8 24.4 96 96 A K S S- 0 0 122 -2,-0.3 2,-0.3 -16,-0.2 -16,-0.1 0.566 87.2 -6.8 -83.5 -3.1 9.3 19.8 27.8 97 97 A S S > S- 0 0 41 1,-0.1 4,-2.6 -16,-0.1 3,-0.3 -0.940 79.5 -90.0-173.0 169.6 7.3 16.6 27.9 98 98 A L H > S+ 0 0 8 -2,-0.3 4,-2.4 1,-0.2 -1,-0.1 0.813 124.2 49.5 -59.4 -42.0 4.7 14.7 25.9 99 99 A D H > S+ 0 0 61 2,-0.2 4,-1.4 1,-0.2 -1,-0.2 0.833 114.2 45.1 -70.3 -33.8 1.8 16.4 27.8 100 100 A H H > S+ 0 0 88 -3,-0.3 4,-2.6 2,-0.2 -2,-0.2 0.785 111.3 53.6 -75.5 -38.3 3.3 19.8 27.2 101 101 A A H X S+ 0 0 0 -4,-2.6 4,-2.1 1,-0.2 5,-0.2 0.915 108.5 51.4 -63.9 -42.6 3.9 18.8 23.6 102 102 A L H X S+ 0 0 1 -4,-2.4 4,-1.6 1,-0.2 -2,-0.2 0.850 113.3 41.8 -65.2 -40.2 0.2 17.9 23.5 103 103 A E H X S+ 0 0 83 -4,-1.4 4,-1.9 2,-0.2 -1,-0.2 0.825 110.9 57.5 -76.1 -32.5 -1.1 21.2 24.8 104 104 A L H >X S+ 0 0 31 -4,-2.6 4,-1.9 2,-0.2 3,-1.2 0.996 113.9 39.3 -56.0 -62.4 1.4 23.2 22.7 105 105 A L H 3X S+ 0 0 0 -4,-2.1 4,-2.2 1,-0.3 -1,-0.2 0.823 113.1 54.0 -51.1 -43.7 -0.0 21.5 19.5 106 106 A Y H 3< S+ 0 0 49 -4,-1.6 -1,-0.3 -5,-0.2 -2,-0.2 0.825 114.2 44.3 -69.7 -22.4 -3.6 21.8 20.7 107 107 A R H << S+ 0 0 162 -4,-1.9 3,-0.3 -3,-1.2 -2,-0.2 0.727 119.4 38.6 -88.4 -28.5 -2.9 25.5 21.2 108 108 A T H < S+ 0 0 56 -4,-1.9 2,-1.0 1,-0.2 5,-0.3 0.889 114.6 51.6 -87.9 -43.0 -1.1 26.2 17.9 109 109 A Y S < S+ 0 0 43 -4,-2.2 8,-0.3 -5,-0.2 2,-0.2 -0.451 83.8 134.6 -98.9 60.7 -3.2 24.0 15.6 110 110 A G S > S- 0 0 25 -2,-1.0 3,-1.5 -3,-0.3 5,-0.2 -0.604 79.3 -78.7-104.4 163.1 -6.6 25.3 16.6 111 111 A S T 3 S+ 0 0 124 1,-0.3 -2,-0.0 -2,-0.2 5,-0.0 0.634 132.3 63.0 -37.1 -22.1 -9.6 26.4 14.5 112 112 A E T 3 S+ 0 0 166 3,-0.0 -1,-0.3 -4,-0.0 -3,-0.1 0.982 90.3 87.1 -66.7 -59.0 -7.6 29.6 13.9 113 113 A S < - 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