==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=30-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 09-JAN-06 2FMO . COMPND 2 MOLECULE: 5,10-METHYLENETETRAHYDROFOLATE REDUCTASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR R.PEJCHAL,E.CAMPBELL,B.D.GUENTHER,B.W.LENNON,R.G.MATTHEWS, . 802 8 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 34799.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 593 73.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 107 13.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 55 6.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 74 9.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 322 40.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 18 2.2 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 2 0 3 1 5 2 8 0 5 0 0 0 0 0 3 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 5 8 8 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 0 PARALLEL BRIDGES PER LADDER . 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 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 2 0 0 0 2 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 22 A Q 0 0 130 0, 0.0 2,-0.5 0, 0.0 259,-0.1 0.000 360.0 360.0 360.0 -24.6 -51.6 1.6 31.3 2 23 A I - 0 0 37 257,-0.2 2,-0.4 238,-0.0 238,-0.2 -0.854 360.0-147.5-103.1 129.2 -52.2 -2.1 30.7 3 24 A N E -a 240 0A 69 236,-2.8 238,-2.1 -2,-0.5 2,-0.3 -0.776 19.0-173.6 -94.0 135.4 -55.1 -3.3 28.5 4 25 A V E -a 241 0A 6 -2,-0.4 29,-2.6 27,-0.2 30,-0.8 -0.949 10.2-166.8-131.2 151.9 -56.8 -6.5 29.3 5 26 A S E -ab 242 34A 4 236,-2.5 238,-3.7 -2,-0.3 2,-0.5 -0.984 11.2-144.7-135.5 146.6 -59.4 -8.7 27.7 6 27 A F E -ab 243 35A 0 28,-1.0 30,-2.1 -2,-0.3 2,-0.4 -0.949 7.8-154.2-117.7 128.8 -61.4 -11.6 29.0 7 28 A E E +ab 244 36A 32 236,-3.2 238,-1.2 -2,-0.5 240,-0.6 -0.843 16.4 178.1-103.0 134.2 -62.4 -14.7 27.0 8 29 A F E - b 0 37A 4 28,-2.3 30,-2.3 -2,-0.4 236,-0.0 -0.786 16.9-139.9-125.5 169.8 -65.5 -16.8 27.9 9 30 A F - 0 0 61 -2,-0.3 30,-0.1 28,-0.2 11,-0.0 -0.949 35.7 -88.9-131.5 152.5 -67.3 -19.8 26.4 10 31 A P - 0 0 38 0, 0.0 35,-0.1 0, 0.0 7,-0.1 -0.413 49.9-116.3 -60.9 120.6 -71.0 -20.6 26.0 11 32 A P - 0 0 22 0, 0.0 3,-0.0 0, 0.0 6,-0.0 -0.328 21.0-163.4 -62.1 142.3 -72.3 -22.4 29.1 12 33 A R S S+ 0 0 97 -2,-0.0 2,-0.3 0, 0.0 3,-0.0 0.453 71.6 39.5-102.8 -6.1 -73.5 -25.9 28.7 13 34 A T S > S- 0 0 71 1,-0.1 4,-1.5 0, 0.0 5,-0.1 -0.914 82.1-113.1-140.1 166.8 -75.4 -26.1 32.0 14 35 A S H > S+ 0 0 75 -2,-0.3 4,-1.9 2,-0.2 5,-0.2 0.884 117.3 52.8 -66.1 -40.6 -77.6 -24.0 34.2 15 36 A E H > S+ 0 0 143 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.939 110.3 46.3 -60.2 -49.6 -74.9 -23.9 36.9 16 37 A M H > S+ 0 0 54 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.793 106.8 60.4 -64.7 -28.4 -72.3 -22.6 34.5 17 38 A E H X S+ 0 0 69 -4,-1.5 4,-2.1 2,-0.2 -1,-0.2 0.958 107.8 43.2 -63.0 -51.1 -74.7 -20.1 33.1 18 39 A Q H X S+ 0 0 53 -4,-1.9 4,-1.9 1,-0.2 -2,-0.2 0.906 113.8 52.3 -60.0 -44.8 -75.0 -18.5 36.6 19 40 A T H X S+ 0 0 62 -4,-2.1 4,-2.5 2,-0.2 -2,-0.2 0.923 108.7 50.6 -58.6 -47.9 -71.2 -18.7 37.1 20 41 A L H X S+ 0 0 0 -4,-2.7 4,-2.8 1,-0.2 -2,-0.2 0.954 110.6 46.3 -56.6 -56.3 -70.5 -17.0 33.7 21 42 A W H X S+ 0 0 49 -4,-2.1 4,-2.0 1,-0.2 -1,-0.2 0.826 112.3 51.5 -59.4 -33.3 -72.8 -14.0 34.3 22 43 A N H X S+ 0 0 103 -4,-1.9 4,-2.8 2,-0.2 -1,-0.2 0.920 111.8 46.9 -68.5 -43.7 -71.5 -13.5 37.8 23 44 A S H X S+ 0 0 9 -4,-2.5 4,-3.6 224,-0.3 5,-0.3 0.890 109.3 54.5 -63.5 -40.1 -67.9 -13.5 36.4 24 45 A I H X S+ 0 0 5 -4,-2.8 4,-2.2 2,-0.2 -1,-0.2 0.923 110.8 46.0 -59.0 -44.5 -68.9 -11.1 33.7 25 46 A D H X S+ 0 0 60 -4,-2.0 4,-1.1 2,-0.2 -2,-0.2 0.947 116.1 45.4 -62.3 -49.7 -70.2 -8.8 36.4 26 47 A R H >< S+ 0 0 77 -4,-2.8 3,-0.7 1,-0.2 -2,-0.2 0.961 117.3 42.6 -58.3 -56.5 -67.1 -9.2 38.5 27 48 A L H >< S+ 0 0 1 -4,-3.6 3,-1.9 1,-0.2 -1,-0.2 0.795 102.7 67.4 -63.7 -32.3 -64.6 -8.8 35.6 28 49 A S H >< S+ 0 0 32 -4,-2.2 3,-3.2 -5,-0.3 -1,-0.2 0.865 86.4 69.0 -58.1 -37.2 -66.5 -5.9 34.0 29 50 A S T << S+ 0 0 61 -4,-1.1 -1,-0.3 -3,-0.7 -2,-0.2 0.586 91.4 63.3 -59.8 -7.0 -65.6 -3.6 36.9 30 51 A L T < S- 0 0 10 -3,-1.9 -1,-0.3 233,-0.1 -2,-0.2 0.430 105.4-132.3 -95.6 -0.2 -62.1 -3.8 35.7 31 52 A K < - 0 0 77 -3,-3.2 -27,-0.2 -4,-0.1 -3,-0.1 0.944 26.9-158.2 49.4 61.5 -63.1 -2.1 32.4 32 53 A P - 0 0 9 0, 0.0 27,-0.3 0, 0.0 -27,-0.2 -0.283 27.0-115.8 -64.7 157.8 -61.3 -4.6 30.0 33 54 A K S S- 0 0 97 -29,-2.6 2,-0.3 1,-0.3 -28,-0.2 0.779 89.9 -30.5 -64.9 -25.5 -60.5 -3.3 26.5 34 55 A F E -b 5 0A 5 -30,-0.8 -28,-1.0 24,-0.1 2,-0.3 -0.916 56.5-134.9 179.0 159.6 -63.0 -5.9 25.3 35 56 A V E -bc 6 60A 4 24,-2.3 26,-3.4 -2,-0.3 2,-0.3 -0.924 20.3-159.8-125.8 152.6 -64.4 -9.3 26.0 36 57 A S E -bc 7 61A 0 -30,-2.1 -28,-2.3 -2,-0.3 2,-0.4 -0.906 8.4-145.9-132.5 161.2 -64.9 -12.2 23.6 37 58 A V E -bc 8 62A 1 24,-1.3 26,-2.2 -2,-0.3 -28,-0.2 -0.996 22.9-123.3-131.4 128.3 -66.9 -15.4 23.4 38 59 A T - 0 0 34 -30,-2.3 2,-0.5 -2,-0.4 25,-0.0 -0.204 15.3-143.1 -67.9 157.7 -65.8 -18.6 21.7 39 60 A Y - 0 0 72 -30,-0.1 2,-0.6 23,-0.1 -1,-0.0 -0.970 16.3-128.2-127.5 115.4 -67.7 -20.3 18.9 40 61 A G 0 0 62 -2,-0.5 25,-0.1 1,-0.2 5,-0.1 -0.492 360.0 360.0 -64.7 109.5 -67.8 -24.1 18.7 41 62 A A 0 0 49 -2,-0.6 -1,-0.2 23,-0.1 55,-0.1 0.983 360.0 360.0 -61.6 360.0 -66.7 -24.9 15.2 42 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 43 68 A D 0 0 119 0, 0.0 4,-0.4 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 -52.0 -75.5 -20.6 17.8 44 69 A R > + 0 0 52 1,-0.2 4,-2.1 2,-0.1 5,-0.2 0.580 360.0 82.1 -87.9 -11.7 -75.6 -19.3 21.4 45 70 A T H > S+ 0 0 4 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.948 89.2 51.0 -56.8 -52.3 -72.5 -17.2 20.9 46 71 A H H > S+ 0 0 88 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.865 109.6 51.1 -54.5 -41.2 -74.4 -14.4 19.2 47 72 A S H > S+ 0 0 81 -4,-0.4 4,-3.0 2,-0.2 -1,-0.2 0.921 108.7 50.0 -65.7 -43.8 -76.9 -14.2 22.1 48 73 A I H X S+ 0 0 11 -4,-2.1 4,-3.2 2,-0.2 5,-0.2 0.929 107.8 54.2 -60.6 -46.4 -74.2 -14.0 24.8 49 74 A I H X S+ 0 0 1 -4,-2.3 4,-3.3 1,-0.2 -2,-0.2 0.964 113.5 41.1 -51.7 -57.4 -72.4 -11.2 23.0 50 75 A K H X S+ 0 0 31 -4,-2.0 4,-3.4 1,-0.2 5,-0.3 0.912 113.3 54.7 -58.1 -43.5 -75.6 -9.1 22.9 51 76 A G H X S+ 0 0 25 -4,-3.0 4,-0.9 1,-0.2 -1,-0.2 0.909 112.9 42.9 -56.2 -41.8 -76.4 -10.2 26.4 52 77 A I H X>S+ 0 0 0 -4,-3.2 4,-2.8 2,-0.2 5,-0.8 0.921 115.0 49.4 -69.4 -46.0 -73.0 -8.9 27.5 53 78 A K H X5S+ 0 0 34 -4,-3.3 4,-1.9 -5,-0.2 -2,-0.2 0.956 115.6 42.1 -58.3 -53.3 -73.3 -5.8 25.4 54 79 A D H <5S+ 0 0 141 -4,-3.4 -1,-0.2 1,-0.2 -2,-0.2 0.636 119.9 45.0 -70.8 -15.5 -76.8 -4.9 26.7 55 80 A R H <5S+ 0 0 139 -4,-0.9 -2,-0.2 -5,-0.3 -1,-0.2 0.803 131.7 12.2 -98.4 -34.4 -75.9 -5.8 30.3 56 81 A T H <5S- 0 0 40 -4,-2.8 -3,-0.2 2,-0.2 -2,-0.2 0.608 84.8-129.5-118.8 -19.6 -72.4 -4.2 30.7 57 82 A G << + 0 0 67 -4,-1.9 -4,-0.2 -5,-0.8 -3,-0.1 0.512 61.2 140.4 80.3 2.7 -71.9 -1.8 27.8 58 83 A L - 0 0 30 -6,-0.5 2,-0.7 1,-0.1 -1,-0.3 -0.401 65.9 -98.5 -76.7 155.7 -68.5 -3.4 27.1 59 84 A E - 0 0 87 -27,-0.3 -24,-2.3 -26,-0.2 2,-0.6 -0.671 42.7-162.6 -76.5 114.8 -67.3 -4.2 23.6 60 85 A A E -c 35 0A 9 -2,-0.7 28,-0.3 -26,-0.2 -24,-0.2 -0.904 3.6-161.9-106.3 116.6 -68.1 -7.8 23.1 61 86 A A E -c 36 0A 0 -26,-3.4 -24,-1.3 -2,-0.6 28,-0.2 -0.849 9.7-147.2-102.0 111.0 -66.2 -9.5 20.3 62 87 A P E -c 37 0A 0 0, 0.0 28,-1.9 0, 0.0 2,-0.3 -0.392 15.9-123.4 -73.1 149.8 -67.7 -12.8 19.0 63 88 A H E -e 90 0B 14 -26,-2.2 2,-0.4 26,-0.2 28,-0.2 -0.730 29.1-168.7 -91.3 144.9 -65.4 -15.5 17.7 64 89 A L E -e 91 0B 6 26,-2.2 28,-2.3 -2,-0.3 2,-0.2 -0.998 2.9-168.7-138.5 133.9 -66.2 -16.8 14.2 65 90 A T - 0 0 6 -2,-0.4 29,-0.2 26,-0.2 28,-0.2 -0.657 31.0-127.4-116.4 173.5 -64.8 -19.8 12.3 66 91 A C S > S+ 0 0 12 27,-3.2 3,-0.7 26,-0.2 2,-0.6 0.217 70.6 120.2-101.0 10.8 -64.8 -21.1 8.8 67 92 A I T 3 S- 0 0 34 1,-0.3 -2,-0.2 26,-0.2 3,-0.1 -0.699 86.9 -8.9 -86.3 121.0 -66.1 -24.5 9.9 68 93 A D T 3 S+ 0 0 148 -2,-0.6 2,-0.3 1,-0.2 -1,-0.3 0.908 110.0 110.6 63.2 46.0 -69.5 -25.5 8.3 69 94 A A < - 0 0 24 -3,-0.7 -1,-0.2 4,-0.0 0, 0.0 -0.960 57.5-140.6-153.3 132.0 -70.1 -22.1 6.8 70 95 A T >> - 0 0 68 -2,-0.3 4,-2.9 1,-0.1 3,-0.5 -0.585 32.5-109.8 -90.8 153.2 -70.1 -20.8 3.2 71 96 A P H 3> S+ 0 0 60 0, 0.0 4,-2.4 0, 0.0 5,-0.2 0.831 121.9 53.9 -48.0 -35.0 -68.7 -17.5 2.1 72 97 A D H 3> S+ 0 0 60 2,-0.2 4,-1.6 1,-0.2 5,-0.1 0.922 110.1 45.0 -67.6 -44.5 -72.2 -16.4 1.5 73 98 A E H <> S+ 0 0 98 -3,-0.5 4,-3.0 2,-0.2 5,-0.2 0.929 112.2 52.2 -65.3 -45.5 -73.3 -17.3 5.0 74 99 A L H X S+ 0 0 0 -4,-2.9 4,-4.0 1,-0.2 5,-0.3 0.960 108.8 49.0 -55.2 -54.4 -70.2 -15.7 6.6 75 100 A R H X S+ 0 0 84 -4,-2.4 4,-2.4 1,-0.2 -1,-0.2 0.865 111.5 52.8 -53.3 -36.6 -70.9 -12.4 4.8 76 101 A T H X S+ 0 0 70 -4,-1.6 4,-3.0 2,-0.2 -1,-0.2 0.956 112.8 41.4 -63.0 -53.3 -74.4 -12.7 6.0 77 102 A I H X S+ 0 0 60 -4,-3.0 4,-3.2 2,-0.2 5,-0.3 0.951 113.6 54.3 -58.8 -50.0 -73.3 -13.2 9.6 78 103 A A H X S+ 0 0 0 -4,-4.0 4,-2.5 1,-0.2 -1,-0.2 0.887 113.0 42.8 -50.7 -44.8 -70.7 -10.5 9.2 79 104 A R H X S+ 0 0 120 -4,-2.4 4,-2.3 -5,-0.3 -1,-0.2 0.909 112.6 52.3 -69.9 -44.1 -73.4 -8.1 8.0 80 105 A D H < S+ 0 0 60 -4,-3.0 -2,-0.2 2,-0.2 -1,-0.2 0.875 113.5 45.4 -60.4 -38.6 -75.8 -9.2 10.7 81 106 A Y H ><>S+ 0 0 16 -4,-3.2 3,-2.2 -5,-0.2 5,-1.9 0.966 111.1 50.8 -69.2 -53.5 -73.1 -8.6 13.4 82 107 A W H ><5S+ 0 0 86 -4,-2.5 3,-1.1 1,-0.3 -2,-0.2 0.851 109.2 51.0 -54.1 -38.8 -72.0 -5.2 12.0 83 108 A N T 3<5S+ 0 0 125 -4,-2.3 -1,-0.3 1,-0.2 -2,-0.2 0.504 103.9 62.9 -78.6 -1.3 -75.5 -3.9 11.9 84 109 A N T < 5S- 0 0 54 -3,-2.2 -1,-0.2 2,-0.2 -2,-0.2 0.083 124.4 -96.6-108.8 21.6 -75.9 -5.0 15.5 85 110 A G T < 5S+ 0 0 77 -3,-1.1 2,-0.8 1,-0.2 -3,-0.2 0.692 88.5 129.0 72.3 17.5 -73.3 -2.7 17.0 86 111 A I < + 0 0 11 -5,-1.9 -2,-0.2 -6,-0.1 -1,-0.2 -0.830 16.3 151.2-109.0 92.7 -70.8 -5.6 16.8 87 112 A R + 0 0 45 -2,-0.8 28,-2.9 -3,-0.1 2,-0.4 0.241 50.8 75.3-107.3 10.9 -67.7 -4.2 15.0 88 113 A H E + f 0 115B 2 -28,-0.3 2,-0.4 26,-0.2 28,-0.2 -0.991 56.2 173.4-125.9 127.3 -65.0 -6.4 16.5 89 114 A I E - f 0 116B 0 26,-2.5 28,-1.9 -2,-0.4 2,-0.9 -0.997 31.2-137.0-138.4 139.5 -64.5 -10.1 15.5 90 115 A V E -ef 63 117B 6 -28,-1.9 -26,-2.2 -2,-0.4 2,-0.5 -0.816 29.7-150.1 -93.6 103.5 -61.9 -12.8 16.3 91 116 A A E +ef 64 118B 0 26,-1.8 28,-0.5 -2,-0.9 2,-0.3 -0.641 25.0 165.0 -82.6 122.5 -61.3 -14.4 12.9 92 117 A L - 0 0 35 -28,-2.3 -26,-0.2 -2,-0.5 26,-0.0 -0.940 44.0-137.0-135.0 154.5 -60.4 -18.1 13.1 93 118 A R - 0 0 43 -2,-0.3 -27,-3.2 -28,-0.2 -26,-0.2 0.958 60.3-126.0 -71.1 -51.3 -60.2 -21.0 10.6 94 119 A G - 0 0 11 -29,-0.2 2,-0.2 -28,-0.2 -54,-0.1 -0.079 20.0 -69.6 115.7 143.7 -61.8 -23.2 13.2 95 120 A D 0 0 145 1,-0.2 -30,-0.0 -2,-0.1 -3,-0.0 -0.480 360.0 360.0 -63.1 125.0 -61.1 -26.5 15.0 96 121 A L 0 0 149 -2,-0.2 -1,-0.2 -55,-0.1 0, 0.0 0.947 360.0 360.0 -62.3 360.0 -61.6 -29.2 12.3 97 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 98 129 A E 0 0 148 0, 0.0 2,-0.3 0, 0.0 -31,-0.1 0.000 360.0 360.0 360.0 -93.3 -61.5 -25.4 2.8 99 130 A M - 0 0 28 -33,-0.3 2,-0.1 -6,-0.1 -33,-0.1 -0.679 360.0-132.2 -96.7 151.9 -60.7 -21.7 3.4 100 131 A Y >> - 0 0 143 -2,-0.3 4,-1.4 1,-0.1 3,-0.9 -0.457 31.8 -97.4 -96.2 171.6 -58.1 -20.5 6.0 101 132 A A H 3> S+ 0 0 7 1,-0.3 4,-2.1 2,-0.2 5,-0.2 0.852 123.0 63.3 -56.7 -36.0 -58.5 -17.7 8.6 102 133 A S H 3> S+ 0 0 16 1,-0.2 4,-1.9 2,-0.2 -1,-0.3 0.876 101.8 50.2 -56.6 -38.9 -56.7 -15.4 6.1 103 134 A D H <> S+ 0 0 52 -3,-0.9 4,-2.2 1,-0.2 -1,-0.2 0.873 107.1 54.9 -68.1 -37.2 -59.6 -15.8 3.7 104 135 A L H X S+ 0 0 0 -4,-1.4 4,-3.2 2,-0.2 -2,-0.2 0.918 108.0 48.0 -63.0 -44.4 -62.1 -15.0 6.5 105 136 A V H X S+ 0 0 0 -4,-2.1 4,-3.1 2,-0.2 5,-0.3 0.924 110.8 49.5 -64.1 -45.5 -60.4 -11.7 7.3 106 137 A T H X S+ 0 0 70 -4,-1.9 4,-1.4 1,-0.2 -1,-0.2 0.928 114.6 47.5 -58.6 -42.6 -60.2 -10.6 3.7 107 138 A L H X S+ 0 0 9 -4,-2.2 4,-0.9 2,-0.2 -2,-0.2 0.945 113.2 46.9 -62.1 -50.8 -63.9 -11.5 3.4 108 139 A L H >X S+ 0 0 0 -4,-3.2 4,-1.5 1,-0.2 3,-0.8 0.897 111.2 50.4 -59.2 -44.4 -64.9 -9.7 6.6 109 140 A K H 3< S+ 0 0 45 -4,-3.1 -1,-0.2 1,-0.3 -2,-0.2 0.812 104.4 60.8 -64.9 -28.8 -62.9 -6.5 5.7 110 141 A E H 3< S+ 0 0 142 -4,-1.4 -1,-0.3 -5,-0.3 -2,-0.2 0.766 105.4 47.2 -68.7 -26.5 -64.7 -6.6 2.4 111 142 A V H << S- 0 0 46 -4,-0.9 2,-0.3 -3,-0.8 -1,-0.2 0.799 130.5 -35.3 -84.6 -32.0 -68.1 -6.3 4.2 112 143 A A S < S- 0 0 20 -4,-1.5 2,-2.2 2,-0.0 -1,-0.3 -0.981 73.9 -68.6-176.1 173.5 -66.9 -3.4 6.4 113 144 A D - 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