==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=27-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDO-REDUCTASE 14-SEP-94 1DYR . COMPND 2 MOLECULE: DIHYDROFOLATE REDUCTASE; . SOURCE 2 ORGANISM_SCIENTIFIC: PNEUMOCYSTIS CARINII; . AUTHOR J.N.CHAMPNESS,A.ACHARI,S.P.BALLANTINE,P.K.BRYANT,C.J.DELVES, . 205 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11488.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 131 63.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 31 15.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 21 10.2 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 . 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 . 20 9.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 19 9.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 38 18.5 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 2 0 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 2 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 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 2 A N 0 0 89 0, 0.0 2,-0.2 0, 0.0 101,-0.1 0.000 360.0 360.0 360.0 -27.4 21.7 18.8 15.9 2 3 A Q + 0 0 96 1,-0.1 2,-0.3 100,-0.1 3,-0.1 -0.480 360.0 94.6-114.4 177.4 19.7 16.0 17.4 3 4 A Q S S+ 0 0 151 1,-0.2 -1,-0.1 -2,-0.2 2,-0.0 -0.846 70.4 51.8 148.5 -95.1 16.1 14.8 17.7 4 5 A K S S- 0 0 69 -2,-0.3 -1,-0.2 1,-0.1 2,-0.1 -0.144 76.6-107.4 -75.1 159.3 14.8 12.3 15.2 5 6 A S - 0 0 43 -3,-0.1 114,-0.5 132,-0.0 2,-0.3 -0.451 31.0-121.6 -80.7 156.0 16.1 8.9 14.0 6 7 A L E -ab 119 137A 0 130,-2.7 132,-1.7 -2,-0.1 133,-0.8 -0.822 18.8-157.5 -99.4 142.9 17.7 8.4 10.6 7 8 A T E -ab 120 139A 7 112,-1.7 114,-2.6 -2,-0.3 2,-0.4 -0.969 5.4-152.6-119.0 130.6 16.4 5.9 8.0 8 9 A L E -ab 121 140A 0 131,-2.4 133,-2.6 -2,-0.4 2,-0.4 -0.899 6.8-163.7-100.9 139.1 18.6 4.5 5.2 9 10 A I E + b 0 141A 5 112,-2.1 2,-0.3 -2,-0.4 133,-0.2 -0.997 20.0 155.7-126.8 130.8 17.0 3.4 2.0 10 11 A V E - b 0 142A 6 131,-2.2 133,-1.8 -2,-0.4 2,-0.4 -0.966 35.4-145.3-152.1 149.0 19.0 1.2 -0.5 11 12 A A E + b 0 143A 17 -2,-0.3 2,-0.3 131,-0.2 133,-0.2 -0.995 37.4 166.6-117.9 123.8 18.6 -1.4 -3.3 12 13 A L E - b 0 144A 1 131,-2.7 133,-2.7 -2,-0.4 6,-0.2 -0.970 35.2-120.1-141.7 151.7 21.3 -4.0 -3.3 13 14 A T E > - b 0 145A 3 4,-1.8 3,-2.3 -2,-0.3 133,-0.2 -0.407 45.4 -99.3 -80.6 164.9 22.3 -7.4 -4.7 14 15 A T T 3 S+ 0 0 61 131,-1.4 134,-0.1 133,-0.4 132,-0.1 0.666 127.7 58.7 -57.7 -16.5 22.9 -10.4 -2.4 15 16 A S T 3 S- 0 0 47 132,-0.4 -1,-0.3 2,-0.1 133,-0.0 0.181 120.0-111.3 -93.6 10.7 26.6 -9.5 -2.9 16 17 A Y < + 0 0 5 -3,-2.3 139,-3.4 1,-0.2 2,-0.3 0.609 64.3 153.6 68.0 17.2 26.1 -6.0 -1.5 17 18 A G E +I 154 0B 0 137,-0.3 -4,-1.8 1,-0.1 137,-0.3 -0.609 16.7 173.8 -75.3 140.8 26.7 -4.3 -4.9 18 19 A I E - 0 0 18 135,-3.1 2,-0.3 1,-0.3 136,-0.2 0.529 54.4 -8.6-127.5 -15.6 24.9 -0.9 -5.3 19 20 A G E -I 153 0B 8 134,-1.3 133,-2.0 5,-0.1 134,-1.3 -0.963 43.1-151.4-169.9 178.9 26.0 0.6 -8.6 20 21 A R B > S+J 23 0C 115 3,-2.3 3,-1.1 -2,-0.3 131,-0.0 -0.879 81.5 3.1-156.8 129.4 28.3 0.6 -11.7 21 22 A S T 3 S- 0 0 73 -2,-0.3 3,-0.1 1,-0.3 130,-0.0 0.845 126.8 -61.2 62.5 35.6 29.5 3.5 -13.8 22 23 A N T 3 S+ 0 0 98 1,-0.2 2,-0.3 0, 0.0 -1,-0.3 0.818 122.9 80.8 58.7 34.0 27.8 6.1 -11.6 23 24 A S B < S-J 20 0C 70 -3,-1.1 -3,-2.3 41,-0.0 -1,-0.2 -0.931 90.3 -87.3-147.7 171.5 24.4 4.5 -12.3 24 25 A L - 0 0 93 -2,-0.3 -5,-0.1 -5,-0.2 127,-0.0 -0.706 28.7-141.2 -78.7 133.7 22.1 1.6 -11.3 25 26 A P S S+ 0 0 39 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.373 82.1 64.4 -77.3 10.4 22.9 -1.5 -13.3 26 27 A W - 0 0 19 2,-0.1 2,-0.6 123,-0.1 -2,-0.1 -0.984 66.9-147.4-137.5 150.1 19.1 -2.2 -13.3 27 28 A K + 0 0 158 -2,-0.3 2,-0.5 165,-0.1 0, 0.0 -0.948 30.9 165.0-113.1 103.8 15.9 -0.6 -14.7 28 29 A L > - 0 0 9 -2,-0.6 4,-1.9 1,-0.2 3,-0.3 -0.879 18.0-174.1-133.0 96.6 13.2 -1.4 -12.3 29 30 A K H > S+ 0 0 139 -2,-0.5 4,-1.6 1,-0.2 -1,-0.2 0.889 87.0 44.6 -57.4 -52.2 10.0 0.6 -12.7 30 31 A K H > S+ 0 0 116 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.698 107.5 60.3 -69.8 -23.9 8.2 -0.7 -9.6 31 32 A E H > S+ 0 0 12 -3,-0.3 4,-2.5 2,-0.2 -1,-0.2 0.927 106.3 46.6 -71.0 -42.2 11.4 -0.4 -7.5 32 33 A I H X S+ 0 0 61 -4,-1.9 4,-2.6 2,-0.2 -2,-0.2 0.865 110.6 52.4 -68.1 -34.7 11.5 3.4 -8.2 33 34 A S H X S+ 0 0 51 -4,-1.6 4,-2.5 1,-0.2 -1,-0.2 0.881 109.6 49.4 -70.4 -37.2 7.7 3.8 -7.4 34 35 A Y H X S+ 0 0 6 -4,-1.8 4,-2.9 2,-0.2 5,-0.3 0.963 110.4 50.7 -58.3 -53.0 8.3 2.1 -4.1 35 36 A F H X S+ 0 0 32 -4,-2.5 4,-2.6 1,-0.2 5,-0.2 0.930 112.8 47.0 -46.7 -51.8 11.2 4.5 -3.5 36 37 A K H X S+ 0 0 97 -4,-2.6 4,-1.1 1,-0.2 -1,-0.2 0.892 112.2 48.4 -58.1 -50.7 8.9 7.4 -4.3 37 38 A R H X S+ 0 0 87 -4,-2.5 4,-1.7 1,-0.2 -1,-0.2 0.923 114.2 45.8 -55.3 -51.6 6.0 6.2 -2.1 38 39 A V H < S+ 0 0 1 -4,-2.9 -2,-0.2 1,-0.2 -1,-0.2 0.907 115.2 44.4 -66.6 -45.1 8.2 5.5 1.0 39 40 A T H < S+ 0 0 0 -4,-2.6 -1,-0.2 -5,-0.3 13,-0.2 0.675 118.6 45.2 -75.4 -14.9 10.2 8.7 0.9 40 41 A S H < S+ 0 0 45 -4,-1.1 -1,-0.2 -5,-0.2 -2,-0.2 0.701 82.2 113.8-101.0 -24.4 7.1 10.8 0.2 41 42 A F < + 0 0 61 -4,-1.7 77,-0.1 -3,-0.1 140,-0.0 -0.356 30.4 163.4 -61.5 127.1 4.6 9.4 2.7 42 43 A V - 0 0 18 -2,-0.1 5,-0.1 75,-0.1 138,-0.0 -0.968 47.7 -96.6-133.8 133.4 3.4 11.7 5.6 43 44 A P - 0 0 45 0, 0.0 4,-0.4 0, 0.0 7,-0.2 -0.082 35.5-116.3 -46.2 143.6 0.2 10.8 7.6 44 45 A T S > S+ 0 0 123 1,-0.2 3,-1.5 2,-0.2 4,-0.2 0.871 113.0 52.0 -56.0 -47.8 -2.9 12.7 6.4 45 46 A F G > S+ 0 0 163 1,-0.3 3,-0.6 2,-0.1 4,-0.3 0.933 115.8 42.1 -51.6 -49.5 -3.4 14.7 9.6 46 47 A D G 3> S+ 0 0 63 1,-0.2 4,-2.5 2,-0.1 -1,-0.3 0.454 90.8 99.1 -76.4 -1.3 0.2 15.9 9.4 47 48 A S G <4 S+ 0 0 61 -3,-1.5 -1,-0.2 -4,-0.4 -2,-0.1 0.508 74.4 53.0 -72.5 -15.7 0.0 16.4 5.6 48 49 A F T <4 S+ 0 0 177 -3,-0.6 -1,-0.2 -4,-0.2 -2,-0.1 0.925 122.1 28.1 -83.2 -51.7 -0.6 20.2 5.4 49 50 A E T 4 S+ 0 0 92 -4,-0.3 66,-0.9 65,-0.1 -2,-0.2 0.943 109.2 72.9 -68.8 -58.2 2.4 21.1 7.6 50 51 A S E < +c 115 0A 25 -4,-2.5 2,-0.3 64,-0.2 66,-0.2 -0.291 42.8 172.7 -91.7 147.6 5.0 18.3 7.2 51 52 A M E -c 116 0A 58 64,-2.3 66,-2.6 -2,-0.1 2,-0.2 -0.977 28.2-116.9-135.7 158.7 7.4 17.1 4.6 52 53 A N E - 0 0 1 21,-0.5 23,-3.1 -2,-0.3 2,-0.4 -0.482 23.3-132.3 -87.7 157.6 10.2 14.4 4.5 53 54 A V E -cd 119 75A 0 65,-2.9 67,-3.0 21,-0.2 2,-0.5 -0.929 10.7-161.3-114.9 138.1 13.8 15.0 3.9 54 55 A V E -cd 120 76A 0 21,-2.7 23,-2.4 -2,-0.4 2,-0.5 -0.981 8.3-163.5-118.6 118.8 16.1 13.2 1.5 55 56 A L E +cd 121 77A 0 65,-2.5 67,-2.8 -2,-0.5 68,-0.4 -0.927 17.2 169.5-103.9 131.6 19.9 13.4 2.1 56 57 A M E - d 0 78A 0 21,-2.1 23,-2.8 -2,-0.5 68,-0.3 -0.987 34.6-109.6-142.4 155.3 22.3 12.5 -0.6 57 58 A G E > - d 0 79A 15 66,-2.1 4,-2.5 -2,-0.3 3,-0.2 -0.286 40.1-109.4 -70.2 157.1 26.0 12.6 -1.7 58 59 A R H > S+ 0 0 109 21,-0.9 4,-2.2 1,-0.2 5,-0.1 0.857 116.9 53.2 -62.5 -42.2 27.0 14.9 -4.5 59 60 A K H > S+ 0 0 106 2,-0.2 4,-1.2 1,-0.2 -1,-0.2 0.803 109.1 49.6 -67.9 -32.4 27.7 12.1 -7.0 60 61 A T H > S+ 0 0 32 2,-0.2 4,-1.3 -3,-0.2 3,-0.4 0.933 108.8 52.9 -64.5 -49.3 24.2 10.7 -6.4 61 62 A W H >< S+ 0 0 28 -4,-2.5 3,-0.6 1,-0.3 -2,-0.2 0.916 111.2 47.4 -49.5 -44.7 22.7 14.1 -6.9 62 63 A E H 3< S+ 0 0 106 -4,-2.2 -1,-0.3 1,-0.2 -2,-0.2 0.794 107.5 57.5 -69.7 -27.3 24.6 14.2 -10.2 63 64 A S H 3< S+ 0 0 51 -4,-1.2 -1,-0.2 -3,-0.4 -2,-0.2 0.690 80.6 101.1 -75.4 -24.2 23.4 10.7 -11.1 64 65 A I S << S- 0 0 29 -4,-1.3 5,-0.1 -3,-0.6 -41,-0.0 -0.498 90.6 -99.6 -71.9 125.1 19.7 11.5 -10.9 65 66 A P >> - 0 0 65 0, 0.0 3,-3.7 0, 0.0 4,-0.6 -0.170 33.3-121.8 -41.3 121.8 18.1 12.0 -14.3 66 67 A L T 34 S+ 0 0 130 1,-0.3 3,-0.3 2,-0.2 -2,-0.1 0.669 113.4 60.2 -44.9 -27.3 17.9 15.8 -14.7 67 68 A Q T 34 S+ 0 0 142 1,-0.2 -1,-0.3 0, 0.0 -3,-0.0 0.689 102.3 50.1 -68.1 -34.8 14.2 15.4 -15.1 68 69 A F T <4 S+ 0 0 108 -3,-3.7 4,-0.3 3,-0.1 -2,-0.2 0.374 91.6 137.5 -91.8 -4.1 13.8 13.8 -11.7 69 70 A R < + 0 0 69 -4,-0.6 2,-0.2 -3,-0.3 -8,-0.0 -0.871 57.2 24.7-106.8 126.7 15.7 16.6 -10.0 70 71 A P S S- 0 0 58 0, 0.0 2,-0.6 0, 0.0 3,-0.0 0.584 98.7-109.8 -85.8 168.0 15.0 17.8 -7.5 71 72 A L > - 0 0 14 -2,-0.2 3,-1.6 1,-0.1 -2,-0.1 -0.407 41.6-121.9 -66.1 110.5 13.0 15.1 -5.8 72 73 A K T 3 S+ 0 0 153 -2,-0.6 -1,-0.1 -4,-0.3 3,-0.1 -0.175 85.4 9.4 -62.2 132.4 9.5 16.4 -5.8 73 74 A G T 3 S+ 0 0 59 1,-0.3 -21,-0.5 -3,-0.0 2,-0.3 0.524 110.2 96.2 81.2 6.5 7.6 16.9 -2.6 74 75 A R S < S- 0 0 18 -3,-1.6 2,-0.7 -23,-0.1 -1,-0.3 -0.957 79.7-117.8-125.3 142.1 10.7 16.2 -0.5 75 76 A I E -d 53 0A 10 -23,-3.1 -21,-2.7 -2,-0.3 2,-0.4 -0.761 39.0-154.5 -75.3 117.9 13.2 18.6 1.1 76 77 A N E -d 54 0A 9 -2,-0.7 16,-1.7 -23,-0.2 2,-0.4 -0.809 15.7-176.4-100.6 133.0 16.4 17.7 -0.7 77 78 A V E -de 55 92A 1 -23,-2.4 -21,-2.1 -2,-0.4 2,-0.5 -0.999 11.5-153.9-125.6 134.2 19.9 18.2 0.9 78 79 A V E -de 56 93A 0 14,-2.5 16,-1.9 -2,-0.4 2,-0.4 -0.937 10.6-143.5-105.7 130.9 23.2 17.5 -0.9 79 80 A I E +de 57 94A 23 -23,-2.8 -21,-0.9 -2,-0.5 2,-0.3 -0.743 40.4 141.4 -95.1 128.0 26.3 16.7 1.2 80 81 A T - 0 0 15 14,-2.6 3,-0.3 -2,-0.4 14,-0.1 -0.906 43.9-159.7-163.7 135.4 29.4 18.2 -0.3 81 82 A R S > S+ 0 0 205 -2,-0.3 2,-1.1 1,-0.2 3,-0.5 0.729 100.9 60.9 -82.7 -34.0 32.6 19.8 1.1 82 83 A N T 3 + 0 0 127 1,-0.3 3,-0.4 13,-0.0 -1,-0.2 -0.178 66.3 138.5 -84.6 41.0 33.1 21.4 -2.3 83 84 A E T 3 + 0 0 89 -2,-1.1 -1,-0.3 -3,-0.3 -2,-0.1 0.912 21.0 131.8 -57.5 -44.3 29.8 23.1 -1.9 84 85 A S S < S+ 0 0 97 -3,-0.5 2,-0.6 1,-0.2 -1,-0.2 -0.044 82.9 4.8 34.6 -93.6 31.5 26.1 -3.4 85 86 A L S S- 0 0 139 -3,-0.4 -1,-0.2 2,-0.0 -2,-0.1 -0.766 77.8-179.8-117.8 84.4 28.7 26.8 -5.9 86 87 A D - 0 0 52 -2,-0.6 2,-0.4 -6,-0.1 7,-0.1 -0.226 21.5-138.9 -57.9 164.6 25.8 24.5 -5.3 87 88 A L + 0 0 135 5,-0.1 2,-0.3 2,-0.0 -2,-0.0 -0.896 45.5 124.4-138.0 112.6 22.9 25.1 -7.8 88 89 A G - 0 0 31 -2,-0.4 2,-1.8 3,-0.0 5,-0.1 -0.898 59.5-131.2-169.8 133.1 19.5 24.9 -6.3 89 90 A N S S- 0 0 169 -2,-0.3 3,-0.1 1,-0.2 -2,-0.0 -0.628 106.6 -29.1 -82.9 66.2 16.4 27.1 -6.1 90 91 A G S S+ 0 0 58 -2,-1.8 2,-0.5 1,-0.4 -1,-0.2 0.704 101.7 135.8 89.9 19.4 16.2 26.3 -2.3 91 92 A I - 0 0 29 -16,-0.1 -1,-0.4 -14,-0.0 -14,-0.2 -0.887 52.7-132.5 -84.9 129.2 17.8 22.9 -2.4 92 93 A H E -e 77 0A 34 -16,-1.7 -14,-2.5 -2,-0.5 2,-0.3 -0.412 16.5-156.0 -90.0 159.4 20.2 23.0 0.5 93 94 A S E -e 78 0A 16 -16,-0.2 2,-0.3 -2,-0.1 -14,-0.2 -0.927 12.5-176.8-124.2 148.3 23.9 21.9 0.7 94 95 A A E -e 79 0A 5 -16,-1.9 -14,-2.6 -2,-0.3 6,-0.1 -0.990 30.9-132.1-154.0 154.4 25.8 20.8 3.8 95 96 A K S S- 0 0 122 -2,-0.3 2,-0.3 -16,-0.2 -16,-0.1 0.639 85.6 -3.2 -88.6 -10.3 29.3 19.9 4.6 96 97 A S S > S- 0 0 40 1,-0.1 4,-2.4 -16,-0.1 5,-0.1 -0.972 79.0 -91.2-162.6 174.8 28.6 16.7 6.5 97 98 A L H > S+ 0 0 11 -2,-0.3 4,-1.9 1,-0.2 5,-0.1 0.935 125.2 43.7 -60.5 -47.4 25.7 14.6 7.9 98 99 A D H > S+ 0 0 62 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.823 111.3 54.6 -71.0 -32.1 25.6 16.4 11.3 99 100 A H H > S+ 0 0 92 2,-0.2 4,-2.7 1,-0.2 -2,-0.2 0.890 107.1 52.4 -66.1 -42.1 26.0 19.8 9.6 100 101 A A H X S+ 0 0 0 -4,-2.4 4,-2.6 2,-0.2 5,-0.2 0.922 108.8 49.3 -52.1 -49.2 22.9 18.9 7.5 101 102 A L H X S+ 0 0 1 -4,-1.9 4,-1.8 1,-0.2 -2,-0.2 0.882 111.4 48.1 -67.1 -40.3 20.9 18.1 10.6 102 103 A E H X S+ 0 0 71 -4,-2.0 4,-2.1 2,-0.2 -1,-0.2 0.900 110.8 53.0 -64.4 -43.3 21.9 21.4 12.3 103 104 A L H X S+ 0 0 31 -4,-2.7 4,-2.8 1,-0.2 -2,-0.2 0.944 111.4 44.7 -53.5 -53.1 20.9 23.2 9.1 104 105 A L H X S+ 0 0 1 -4,-2.6 4,-2.0 2,-0.2 -1,-0.2 0.847 111.6 52.4 -59.7 -39.5 17.4 21.6 8.9 105 106 A Y H < S+ 0 0 55 -4,-1.8 -1,-0.2 -5,-0.2 -2,-0.2 0.903 115.5 42.2 -68.9 -35.7 16.8 22.2 12.6 106 107 A R H >< S+ 0 0 155 -4,-2.1 3,-0.6 1,-0.2 -2,-0.2 0.891 118.7 43.0 -70.5 -46.0 17.7 25.9 12.1 107 108 A T H 3< S+ 0 0 49 -4,-2.8 -2,-0.2 1,-0.2 -3,-0.2 0.776 119.4 42.6 -70.5 -30.6 15.8 26.4 8.8 108 109 A Y T 3< S+ 0 0 41 -4,-2.0 8,-0.4 -5,-0.2 -1,-0.2 -0.465 80.6 140.6-126.7 50.3 12.7 24.5 9.9 109 110 A G S X S- 0 0 25 -3,-0.6 3,-0.5 6,-0.1 5,-0.1 -0.086 75.6 -74.1 -75.6-175.9 12.0 25.6 13.4 110 111 A S T 3 S+ 0 0 128 1,-0.2 -1,-0.1 3,-0.0 5,-0.1 0.197 131.5 63.4 -70.5 12.2 8.6 26.3 15.1 111 112 A E T 3 S+ 0 0 175 3,-0.1 -1,-0.2 -4,-0.0 -3,-0.1 0.759 86.0 94.1 -89.6 -52.9 8.6 29.5 13.1 112 113 A S < - 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