==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=29-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 20-MAR-06 2CIG . COMPND 2 MOLECULE: DIHYDROFOLATE REDUCTASE; . SOURCE 2 ORGANISM_SCIENTIFIC: MYCOBACTERIUM TUBERCULOSIS; . AUTHOR A.ARGYROU,M.W.VETTING,B.ALADEGBAMI,J.S.BLANCHARD . 159 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8997.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 102 64.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 27 17.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 22 13.8 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 . 2 1.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.6 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 . 14 8.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 17 10.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 19 11.9 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+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 1 0 1 1 1 0 0 0 0 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 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 0 PARALLEL BRIDGES PER LADDER . 1 2 0 1 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 77 0, 0.0 90,-2.1 0, 0.0 2,-0.5 0.000 360.0 360.0 360.0 120.8 1.5 -9.7 8.0 2 2 A V E -a 91 0A 15 104,-0.4 106,-2.6 88,-0.2 107,-1.1 -0.991 360.0-176.0-115.1 125.7 3.8 -11.1 5.4 3 3 A G E -ab 92 109A 0 88,-2.9 90,-3.2 -2,-0.5 2,-0.4 -0.897 14.3-147.7-116.1 151.6 4.9 -14.7 6.0 4 4 A L E -ab 93 110A 0 105,-2.2 107,-2.2 -2,-0.3 2,-0.4 -0.954 13.5-171.1-113.4 143.8 7.4 -16.8 3.9 5 5 A I E + b 0 111A 7 88,-2.3 2,-0.3 -2,-0.4 107,-0.2 -0.995 19.7 140.4-138.1 125.1 7.0 -20.6 3.6 6 6 A W E - b 0 112A 11 105,-1.8 107,-2.6 -2,-0.4 2,-0.4 -0.989 40.5-129.6-150.5 170.0 9.5 -23.0 2.0 7 7 A A E - b 0 113A 17 -2,-0.3 2,-0.4 105,-0.2 107,-0.2 -0.982 31.5-179.4-122.1 135.0 11.2 -26.4 2.3 8 8 A Q E - b 0 114A 34 105,-3.0 107,-3.2 -2,-0.4 6,-0.2 -0.976 31.4-118.1-134.9 147.1 14.9 -26.6 2.1 9 9 A A E > - b 0 115A 0 4,-2.4 3,-2.5 -2,-0.4 107,-0.2 -0.385 49.0-101.3 -60.8 157.1 17.7 -29.2 2.2 10 10 A T T 3 S+ 0 0 75 105,-1.4 -1,-0.1 107,-0.5 106,-0.1 0.877 124.6 62.2 -49.9 -37.6 20.0 -28.7 5.3 11 11 A S T 3 S- 0 0 54 106,-0.4 -1,-0.3 108,-0.1 110,-0.1 0.576 120.5-107.4 -65.7 -14.5 22.4 -27.0 2.9 12 12 A G S < S+ 0 0 11 -3,-2.5 116,-2.8 1,-0.3 2,-0.2 0.294 72.2 140.4 104.1 -16.9 19.9 -24.3 2.0 13 13 A V E +I 127 0B 0 106,-0.4 -4,-2.4 114,-0.2 -1,-0.3 -0.476 13.7 161.4 -66.6 136.2 19.1 -25.5 -1.5 14 14 A I E + 0 0 16 112,-3.0 2,-0.3 1,-0.3 113,-0.2 0.450 64.2 27.2-126.6 -17.4 15.4 -25.1 -2.4 15 15 A G E +I 126 0B 11 111,-1.9 111,-2.5 5,-0.2 -1,-0.3 -0.998 52.6 170.1-154.3 140.9 15.5 -25.4 -6.2 16 16 A R B > S-J 19 0C 58 3,-2.6 3,-1.8 -2,-0.3 109,-0.1 -0.950 72.8 -0.5-153.3 135.0 17.6 -26.9 -9.0 17 17 A G T 3 S- 0 0 76 -2,-0.3 3,-0.1 1,-0.3 108,-0.1 0.783 128.6 -56.7 62.3 26.3 17.1 -27.2 -12.8 18 18 A G T 3 S+ 0 0 61 1,-0.3 -1,-0.3 0, 0.0 2,-0.2 0.469 124.1 66.4 83.4 -0.4 13.7 -25.5 -12.5 19 19 A D B < S-J 16 0C 107 -3,-1.8 -3,-2.6 0, 0.0 -1,-0.3 -0.696 92.7 -81.2-133.5-169.1 12.2 -27.9 -9.9 20 20 A I - 0 0 102 -5,-0.2 2,-1.0 -2,-0.2 -5,-0.2 -0.894 36.4-135.3-101.5 123.8 12.6 -29.1 -6.3 21 21 A P S S+ 0 0 36 0, 0.0 2,-0.3 0, 0.0 -6,-0.1 -0.072 79.4 36.1 -75.9 37.3 15.4 -31.7 -6.0 22 22 A W S S- 0 0 25 -2,-1.0 2,-0.4 -13,-0.0 -2,-0.1 -0.968 76.8-115.0-167.1 167.5 13.5 -34.2 -3.7 23 23 A R + 0 0 209 -2,-0.3 126,-0.2 124,-0.0 124,-0.1 -0.967 35.7 156.6-116.8 134.3 10.1 -35.6 -3.1 24 24 A L > + 0 0 7 -2,-0.4 3,-2.4 122,-0.1 4,-0.3 -0.467 3.7 166.8-152.4 69.1 8.2 -34.9 0.1 25 25 A P G > S+ 0 0 73 0, 0.0 3,-1.4 0, 0.0 4,-0.4 0.761 74.7 72.6 -64.4 -19.9 4.4 -35.2 -0.3 26 26 A E G 3 S+ 0 0 59 1,-0.3 4,-0.5 2,-0.2 3,-0.4 0.725 87.8 65.3 -61.5 -20.7 4.0 -35.2 3.4 27 27 A D G <> S+ 0 0 27 -3,-2.4 4,-2.4 1,-0.2 3,-0.5 0.750 83.9 77.2 -72.2 -25.9 4.8 -31.4 3.1 28 28 A Q H <> S+ 0 0 101 -3,-1.4 4,-2.4 -4,-0.3 -1,-0.2 0.827 89.5 50.2 -60.3 -40.8 1.6 -30.7 1.2 29 29 A A H > S+ 0 0 57 -4,-0.4 4,-2.1 -3,-0.4 -1,-0.2 0.830 112.3 47.4 -68.7 -35.6 -0.9 -30.8 4.0 30 30 A H H > S+ 0 0 30 -4,-0.5 4,-2.3 -3,-0.5 5,-0.2 0.915 111.1 51.2 -70.7 -44.4 1.1 -28.4 6.1 31 31 A F H X S+ 0 0 46 -4,-2.4 4,-2.3 1,-0.2 5,-0.2 0.921 112.4 47.2 -57.1 -47.1 1.6 -26.0 3.1 32 32 A R H X S+ 0 0 122 -4,-2.4 4,-3.0 2,-0.2 -1,-0.2 0.920 109.9 53.2 -60.0 -45.1 -2.2 -26.1 2.6 33 33 A E H < S+ 0 0 143 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.919 114.0 41.5 -57.9 -43.9 -3.0 -25.4 6.3 34 34 A I H < S+ 0 0 12 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.944 126.1 32.5 -67.4 -44.4 -0.7 -22.4 6.4 35 35 A T H >< S+ 0 0 0 -4,-2.3 3,-2.0 -5,-0.2 -2,-0.2 0.731 82.8 117.6 -93.8 -24.3 -1.8 -20.9 3.0 36 36 A M T 3< S+ 0 0 79 -4,-3.0 24,-0.2 1,-0.3 23,-0.1 -0.145 84.9 11.6 -56.8 137.4 -5.5 -21.9 2.5 37 37 A G T 3 S+ 0 0 64 22,-2.1 -1,-0.3 1,-0.3 2,-0.2 0.387 111.2 100.2 82.9 -1.0 -7.9 -18.9 2.2 38 38 A H S < S- 0 0 54 -3,-2.0 23,-1.5 21,-0.1 2,-0.4 -0.600 81.0 -94.7-114.9 169.4 -5.0 -16.4 1.9 39 39 A T E -cd 61 91A 12 51,-1.0 53,-2.6 21,-0.2 2,-0.4 -0.701 40.1-160.8 -78.7 135.9 -3.3 -14.4 -0.7 40 40 A I E -cd 62 92A 0 21,-2.8 23,-2.6 -2,-0.4 2,-0.4 -0.940 2.7-159.2-119.6 143.6 -0.1 -16.1 -1.9 41 41 A V E +cd 63 93A 0 51,-2.4 53,-2.6 -2,-0.4 54,-0.4 -0.980 16.9 165.2-123.7 133.4 2.7 -14.4 -3.8 42 42 A M E -c 64 0A 0 21,-2.0 23,-2.7 -2,-0.4 54,-0.3 -0.978 36.7-104.6-143.5 153.5 5.3 -16.2 -6.0 43 43 A G E > -c 65 0A 9 52,-2.3 4,-2.0 -2,-0.3 3,-0.4 -0.361 42.1-105.1 -67.3 157.1 8.0 -15.3 -8.6 44 44 A R H > S+ 0 0 77 21,-1.6 4,-2.4 1,-0.2 5,-0.2 0.855 120.3 55.5 -53.6 -39.4 7.2 -16.0 -12.3 45 45 A R H > S+ 0 0 173 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.908 105.1 51.9 -65.0 -37.6 9.5 -19.0 -12.3 46 46 A V H > S+ 0 0 25 -3,-0.4 4,-0.8 2,-0.2 -2,-0.2 0.921 108.4 51.3 -62.8 -45.8 7.7 -20.6 -9.3 47 47 A W H >< S+ 0 0 6 -4,-2.0 3,-1.5 1,-0.2 -2,-0.2 0.952 109.4 51.1 -51.2 -49.7 4.4 -20.2 -11.2 48 48 A D H 3< S+ 0 0 73 -4,-2.4 -2,-0.2 1,-0.3 -1,-0.2 0.849 104.2 59.1 -57.3 -34.5 6.0 -21.9 -14.2 49 49 A S H 3< S+ 0 0 61 -4,-1.7 -1,-0.3 -5,-0.2 -2,-0.2 0.654 86.4 93.1 -72.7 -16.6 7.1 -24.7 -11.8 50 50 A L S << S- 0 0 29 -3,-1.5 5,-0.1 -4,-0.8 2,-0.1 -0.614 85.1-115.8 -77.5 132.3 3.5 -25.5 -10.9 51 51 A P >> - 0 0 67 0, 0.0 3,-1.5 0, 0.0 4,-0.7 -0.435 26.1-113.5 -62.3 145.9 1.9 -28.3 -13.0 52 52 A A G >4 S+ 0 0 82 1,-0.3 3,-0.6 2,-0.2 -2,-0.0 0.803 114.9 57.4 -48.7 -37.5 -1.1 -27.1 -15.1 53 53 A K G 34 S+ 0 0 180 1,-0.2 -1,-0.3 0, 0.0 -3,-0.0 0.779 111.6 41.2 -71.9 -22.4 -3.6 -29.2 -13.1 54 54 A V G <4 S+ 0 0 42 -3,-1.5 -1,-0.2 3,-0.1 -2,-0.2 0.458 91.4 126.4-104.8 -3.5 -2.6 -27.5 -9.9 55 55 A R << + 0 0 83 -4,-0.7 2,-0.1 -3,-0.6 21,-0.1 -0.893 64.0 32.5-115.6 135.8 -2.3 -23.9 -11.0 56 56 A P S S- 0 0 46 0, 0.0 20,-0.1 0, 0.0 3,-0.0 0.678 102.5-118.8 -62.8 154.9 -3.7 -21.5 -9.8 57 57 A L > - 0 0 21 -2,-0.1 3,-1.1 1,-0.1 -2,-0.1 -0.517 37.4-117.1 -63.8 121.9 -3.5 -23.1 -6.4 58 58 A P T 3 S+ 0 0 89 0, 0.0 -21,-0.1 0, 0.0 3,-0.1 -0.240 90.1 22.9 -69.3 152.1 -7.2 -23.4 -5.4 59 59 A G T 3 S+ 0 0 54 1,-0.2 -22,-2.1 -23,-0.1 2,-0.3 0.548 109.8 87.1 78.2 5.5 -8.7 -21.7 -2.4 60 60 A R S < S- 0 0 25 -3,-1.1 2,-0.8 -24,-0.2 -21,-0.2 -0.981 83.1-116.5-134.1 145.8 -6.0 -19.0 -2.5 61 61 A R E -c 39 0A 124 -23,-1.5 -21,-2.8 -2,-0.3 2,-0.5 -0.760 36.0-145.9 -81.5 115.6 -5.6 -15.8 -4.4 62 62 A N E -ce 40 76A 3 -2,-0.8 15,-3.2 13,-0.5 2,-0.5 -0.709 17.9-175.5 -89.4 123.0 -2.5 -16.4 -6.6 63 63 A V E -ce 41 77A 1 -23,-2.6 -21,-2.0 -2,-0.5 2,-0.5 -0.970 6.2-162.6-119.5 128.2 -0.4 -13.3 -7.2 64 64 A V E -ce 42 78A 0 13,-2.9 15,-2.9 -2,-0.5 2,-0.5 -0.942 9.2-144.6-118.9 125.3 2.6 -13.7 -9.7 65 65 A L E +ce 43 79A 18 -23,-2.7 -21,-1.6 -2,-0.5 2,-0.3 -0.794 33.2 153.8 -91.7 129.6 5.5 -11.2 -9.8 66 66 A S - 0 0 12 13,-2.8 -2,-0.0 -2,-0.5 -23,-0.0 -0.990 45.9-146.9-152.0 146.2 7.0 -10.6 -13.2 67 67 A R S S+ 0 0 232 -2,-0.3 2,-0.9 3,-0.0 13,-0.1 0.448 79.6 99.8 -88.7 -6.9 8.8 -7.7 -15.0 68 68 A Q > - 0 0 70 1,-0.2 3,-1.4 11,-0.1 -2,-0.1 -0.757 64.2-160.3 -77.0 107.6 7.1 -8.8 -18.2 69 69 A A T 3 S+ 0 0 111 -2,-0.9 -1,-0.2 1,-0.3 11,-0.1 0.748 91.7 43.6 -62.5 -21.6 4.3 -6.1 -18.2 70 70 A D T 3 S+ 0 0 120 -3,-0.1 -1,-0.3 2,-0.0 -2,-0.0 0.292 83.2 146.4-100.3 -1.3 2.3 -8.4 -20.6 71 71 A F < - 0 0 24 -3,-1.4 2,-0.5 1,-0.1 7,-0.2 -0.146 40.4-134.6 -57.2 146.4 2.9 -11.8 -18.9 72 72 A M + 0 0 126 2,-0.0 2,-0.3 6,-0.0 -1,-0.1 -0.825 34.4 154.5-113.2 111.9 0.2 -14.5 -19.0 73 73 A A > - 0 0 13 -2,-0.5 3,-2.2 3,-0.2 5,-0.1 -0.774 34.9-138.6-144.0 95.9 -1.1 -16.5 -16.1 74 74 A S T 3 S+ 0 0 111 -2,-0.3 3,-0.1 1,-0.3 -2,-0.0 -0.320 89.2 8.3 -58.0 123.8 -4.6 -17.9 -16.2 75 75 A G T 3 S+ 0 0 56 1,-0.3 -13,-0.5 -2,-0.1 2,-0.3 0.474 112.7 98.8 83.8 4.4 -6.3 -17.5 -12.8 76 76 A A E < S-e 62 0A 23 -3,-2.2 2,-0.8 -15,-0.1 -1,-0.3 -0.881 73.9-122.4-121.7 153.1 -3.5 -15.5 -11.3 77 77 A E E -e 63 0A 69 -15,-3.2 -13,-2.9 -2,-0.3 2,-0.4 -0.854 26.7-152.3 -92.4 110.9 -2.9 -11.8 -10.7 78 78 A V E +e 64 0A 46 -2,-0.8 2,-0.3 -15,-0.2 -13,-0.2 -0.684 19.4 179.7 -85.5 123.1 0.3 -10.7 -12.5 79 79 A V E -e 65 0A 11 -15,-2.9 -13,-2.8 -2,-0.4 -11,-0.1 -0.920 28.8-145.8-123.6 157.5 2.0 -7.8 -10.8 80 80 A G S S+ 0 0 48 -2,-0.3 2,-0.3 -15,-0.2 -15,-0.1 0.472 79.3 33.1-103.3 -0.3 5.2 -5.9 -11.7 81 81 A S S > S- 0 0 24 1,-0.1 4,-1.7 -14,-0.0 3,-0.2 -0.983 73.8-120.1-152.9 154.3 6.4 -5.0 -8.2 82 82 A L H > S+ 0 0 15 -2,-0.3 4,-1.7 1,-0.2 -1,-0.1 0.890 112.2 60.5 -66.5 -41.3 6.4 -6.4 -4.7 83 83 A E H 4 S+ 0 0 146 1,-0.2 -1,-0.2 2,-0.2 3,-0.2 0.894 106.0 47.0 -50.5 -43.2 4.5 -3.4 -3.3 84 84 A E H >4 S+ 0 0 90 1,-0.2 3,-0.8 -3,-0.2 -1,-0.2 0.900 112.3 51.8 -68.3 -37.7 1.6 -4.3 -5.7 85 85 A A H 3< S+ 0 0 1 -4,-1.7 3,-0.5 1,-0.2 -1,-0.2 0.787 102.3 61.0 -58.9 -32.2 1.8 -7.9 -4.6 86 86 A L T 3< + 0 0 30 -4,-1.7 -1,-0.2 -3,-0.2 -2,-0.1 0.276 65.4 110.7 -92.8 15.1 1.6 -7.1 -0.9 87 87 A T < + 0 0 102 -3,-0.8 -1,-0.2 -4,-0.1 -2,-0.1 0.684 54.3 88.9 -68.4 -22.3 -1.8 -5.4 -0.6 88 88 A S S S- 0 0 25 -3,-0.5 3,-0.1 1,-0.1 -50,-0.0 -0.437 82.0-121.9 -76.0 151.7 -3.7 -8.1 1.4 89 89 A P S S+ 0 0 118 0, 0.0 2,-0.4 0, 0.0 -1,-0.1 0.842 102.8 29.5 -55.7 -45.8 -3.6 -8.1 5.3 90 90 A E S S+ 0 0 61 -88,-0.0 -51,-1.0 2,-0.0 2,-0.4 -0.996 77.8 173.3-119.2 123.3 -2.1 -11.6 5.5 91 91 A T E -ad 2 39A 0 -90,-2.1 -88,-2.9 -2,-0.4 2,-0.5 -0.999 19.3-154.1-134.4 135.9 0.1 -12.7 2.6 92 92 A W E -ad 3 40A 1 -53,-2.6 -51,-2.4 -2,-0.4 2,-0.5 -0.943 8.8-150.9-109.7 121.1 2.2 -15.9 2.2 93 93 A V E -ad 4 41A 0 -90,-3.2 -88,-2.3 -2,-0.5 -51,-0.2 -0.790 12.4-175.6 -89.6 125.6 5.2 -15.7 -0.1 94 94 A I - 0 0 15 -53,-2.6 -52,-0.2 -2,-0.5 2,-0.1 0.120 38.3-170.7-114.9 15.1 5.7 -19.3 -1.5 95 95 A G - 0 0 0 -54,-0.4 -52,-2.3 1,-0.2 -1,-0.4 -0.436 49.2-135.7 121.2-177.7 8.9 -18.6 -3.5 96 96 A G > - 0 0 14 -54,-0.3 4,-2.8 -2,-0.1 5,-0.3 0.343 54.1 -93.5-105.3-142.2 11.2 -18.9 -5.2 97 97 A G H > S+ 0 0 20 1,-0.2 4,-1.9 2,-0.2 5,-0.2 0.909 122.7 45.2 -55.2 -44.4 14.8 -17.9 -4.3 98 98 A Q H > S+ 0 0 119 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.939 115.3 45.6 -63.8 -45.7 14.5 -14.4 -5.8 99 99 A V H > S+ 0 0 8 1,-0.2 4,-2.5 2,-0.2 -2,-0.2 0.846 109.3 53.9 -76.0 -35.9 11.2 -13.6 -4.3 100 100 A Y H X S+ 0 0 12 -4,-2.8 4,-1.6 2,-0.2 -1,-0.2 0.905 111.3 47.3 -55.8 -46.2 12.0 -14.9 -0.8 101 101 A A H < S+ 0 0 64 -4,-1.9 -2,-0.2 -5,-0.3 -1,-0.2 0.923 113.3 49.1 -64.4 -40.5 15.1 -12.6 -0.8 102 102 A L H < S+ 0 0 94 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.885 119.0 37.7 -61.9 -43.7 12.9 -9.7 -2.0 103 103 A A H >X S+ 0 0 0 -4,-2.5 3,-1.5 1,-0.2 4,-0.8 0.620 88.7 92.4 -88.1 -16.9 10.2 -10.2 0.6 104 104 A L G >< S+ 0 0 37 -4,-1.6 3,-1.3 1,-0.2 -1,-0.2 0.884 84.0 53.7 -48.9 -49.9 12.3 -11.2 3.7 105 105 A P G 34 S+ 0 0 93 0, 0.0 -1,-0.2 0, 0.0 -2,-0.1 0.763 111.3 49.3 -57.9 -22.2 12.6 -7.6 5.1 106 106 A Y G <4 S+ 0 0 146 -3,-1.5 -104,-0.4 -4,-0.2 2,-0.2 0.640 95.7 98.3 -88.5 -14.5 8.7 -7.4 4.9 107 107 A A << + 0 0 1 -3,-1.3 -104,-0.2 -4,-0.8 3,-0.1 -0.494 38.4 173.4 -88.4 139.8 8.2 -10.7 6.7 108 108 A T S S+ 0 0 45 -106,-2.6 50,-2.0 -2,-0.2 2,-0.3 0.371 72.9 43.4-117.7 0.6 7.4 -11.4 10.3 109 109 A R E -bF 3 157A 79 -107,-1.1 -105,-2.2 48,-0.2 2,-0.4 -0.994 55.2-175.8-138.6 144.9 6.8 -15.2 10.0 110 110 A C E -bF 4 156A 0 46,-2.0 46,-2.9 -2,-0.3 2,-0.5 -0.984 8.9-163.2-135.4 140.1 8.6 -18.1 8.3 111 111 A E E -bF 5 155A 8 -107,-2.2 -105,-1.8 -2,-0.4 2,-0.5 -0.981 22.9-174.1-119.0 111.4 7.4 -21.7 8.2 112 112 A V E -bF 6 154A 5 42,-2.6 42,-3.1 -2,-0.5 2,-0.6 -0.943 20.4-158.7-118.3 128.9 10.3 -23.8 7.2 113 113 A T E -bF 7 153A 1 -107,-2.6 -105,-3.0 -2,-0.5 2,-0.5 -0.923 14.4-153.6-102.6 122.9 10.5 -27.4 6.4 114 114 A E E -bF 8 152A 17 38,-3.1 38,-1.7 -2,-0.6 2,-0.6 -0.852 4.2-154.3 -95.4 130.4 14.0 -28.8 6.7 115 115 A V E -bF 9 151A 0 -107,-3.2 2,-2.2 -2,-0.5 -105,-1.4 -0.918 12.7-140.3-106.8 116.6 14.7 -31.9 4.5 116 116 A D + 0 0 64 34,-2.8 34,-0.5 -2,-0.6 2,-0.4 -0.440 57.5 130.4 -76.6 67.0 17.6 -34.1 5.9 117 117 A I - 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