==== 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 OXIDOREDUCTASE 28-JAN-00 1EDZ . COMPND 2 MOLECULE: 5,10-METHYLENETETRAHYDROFOLATE DEHYDROGENASE; . SOURCE 2 ORGANISM_SCIENTIFIC: SACCHAROMYCES CEREVISIAE; . AUTHOR A.F.MONZINGO,A.BREKSA,S.ERNST,D.R.APPLING,J.D.ROBERTUS . 317 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14968.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 237 74.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 40 12.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 14 4.4 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 . 1 0.3 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 0.3 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 . 31 9.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 38 12.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 100 31.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 1.6 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 2 0 1 0 0 0 0 1 0 0 0 1 1 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 1 1 3 1 1 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 . 1 0 0 1 1 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 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 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 3 A K 0 0 117 0, 0.0 284,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 102.8 -23.1 34.3 -5.9 2 4 A P - 0 0 104 0, 0.0 282,-0.2 0, 0.0 2,-0.2 -0.008 360.0-115.0 -43.0 133.8 -20.5 32.6 -8.2 3 5 A G - 0 0 5 280,-2.6 285,-0.2 1,-0.1 284,-0.2 -0.495 28.2-117.1 -76.6 142.0 -16.9 33.1 -7.6 4 6 A R E -a 288 0A 161 283,-1.8 285,-1.2 -2,-0.2 2,-0.5 -0.360 23.1-134.7 -73.8 153.6 -14.8 35.1 -10.1 5 7 A T E -a 289 0A 56 283,-0.2 2,-0.5 -2,-0.1 285,-0.2 -0.964 15.3-164.3-117.3 126.2 -11.9 33.3 -11.9 6 8 A I - 0 0 1 283,-2.4 2,-0.3 -2,-0.5 154,-0.0 -0.953 13.7-139.2-112.7 124.7 -8.5 34.9 -12.2 7 9 A L > - 0 0 98 -2,-0.5 4,-1.4 283,-0.1 3,-0.3 -0.608 16.9-126.7 -83.7 143.7 -6.0 33.5 -14.7 8 10 A A H > S+ 0 0 10 284,-0.3 4,-2.5 -2,-0.3 3,-0.3 0.872 111.6 59.4 -52.6 -38.8 -2.4 33.3 -13.9 9 11 A S H > S+ 0 0 31 1,-0.2 4,-3.0 2,-0.2 -1,-0.2 0.937 99.0 54.6 -56.3 -50.8 -1.7 35.2 -17.1 10 12 A K H > S+ 0 0 102 -3,-0.3 4,-0.7 1,-0.2 -1,-0.2 0.843 111.5 46.4 -52.9 -38.0 -3.8 38.2 -15.9 11 13 A V H >X S+ 0 0 0 -4,-1.4 3,-0.7 -3,-0.3 4,-0.5 0.918 112.1 49.3 -72.1 -44.3 -1.6 38.4 -12.8 12 14 A A H >X S+ 0 0 11 -4,-2.5 3,-1.3 1,-0.2 4,-0.8 0.874 99.2 66.7 -63.8 -36.8 1.6 38.0 -14.7 13 15 A E H >X S+ 0 0 116 -4,-3.0 3,-1.0 1,-0.3 4,-0.5 0.843 89.5 68.6 -52.7 -34.2 0.6 40.8 -17.1 14 16 A T H << S+ 0 0 79 -3,-0.7 4,-0.4 -4,-0.7 3,-0.3 0.872 100.8 45.0 -52.8 -42.7 0.9 43.2 -14.2 15 17 A F H S+ 0 0 84 -4,-0.4 4,-1.6 1,-0.2 -1,-0.2 0.967 113.2 47.1 -58.5 -56.0 8.4 46.6 -14.9 19 21 A I H X S+ 0 0 0 -4,-2.5 4,-2.3 1,-0.2 5,-0.2 0.895 108.4 55.2 -54.7 -47.2 10.3 43.6 -16.3 20 22 A I H X S+ 0 0 54 -4,-2.7 4,-2.8 -5,-0.2 -1,-0.2 0.957 105.2 51.7 -51.8 -60.3 10.6 45.1 -19.8 21 23 A N H X S+ 0 0 102 -4,-1.7 4,-2.5 1,-0.2 -1,-0.2 0.838 110.0 48.3 -46.2 -47.2 12.2 48.4 -18.7 22 24 A N H X S+ 0 0 48 -4,-1.6 4,-2.5 2,-0.2 -1,-0.2 0.966 112.4 48.5 -60.4 -50.6 14.9 46.6 -16.7 23 25 A V H X S+ 0 0 0 -4,-2.3 4,-2.1 1,-0.2 -2,-0.2 0.887 110.6 54.1 -55.4 -40.3 15.7 44.3 -19.6 24 26 A E H X S+ 0 0 82 -4,-2.8 4,-1.9 2,-0.2 -1,-0.2 0.935 108.2 46.0 -60.5 -51.6 15.8 47.4 -21.8 25 27 A E H X S+ 0 0 91 -4,-2.5 4,-1.9 1,-0.2 -1,-0.2 0.887 111.0 54.3 -60.8 -38.7 18.4 49.2 -19.7 26 28 A Y H X S+ 0 0 30 -4,-2.5 4,-1.2 1,-0.2 -1,-0.2 0.901 104.1 54.9 -61.9 -41.3 20.4 46.0 -19.5 27 29 A K H ><>S+ 0 0 34 -4,-2.1 5,-1.8 -5,-0.2 3,-0.7 0.928 104.7 55.7 -56.4 -45.6 20.4 45.9 -23.3 28 30 A K H ><5S+ 0 0 141 -4,-1.9 3,-1.2 1,-0.3 -2,-0.2 0.947 110.7 41.5 -51.7 -57.2 21.8 49.4 -23.3 29 31 A T H 3<5S+ 0 0 88 -4,-1.9 -1,-0.3 1,-0.3 -2,-0.2 0.610 121.2 44.2 -69.1 -14.2 24.8 48.5 -21.2 30 32 A H T X<5S- 0 0 46 -4,-1.2 3,-2.0 -3,-0.7 -1,-0.3 -0.204 120.7 -99.8-124.7 42.6 25.3 45.2 -23.0 31 33 A N T < 5S- 0 0 142 -3,-1.2 -3,-0.2 1,-0.3 -2,-0.1 0.878 79.1 -49.5 38.4 67.5 24.9 46.5 -26.6 32 34 A G T 3 - 0 0 62 -2,-1.3 4,-1.7 1,-0.1 -2,-0.1 -0.967 51.6-159.1-121.2 121.5 6.6 14.8 -19.5 46 48 A P H > S+ 0 0 102 0, 0.0 4,-2.6 0, 0.0 5,-0.2 0.862 93.3 61.5 -63.3 -34.1 4.5 16.7 -22.0 47 49 A A H > S+ 0 0 47 1,-0.2 4,-1.9 2,-0.2 5,-0.1 0.922 107.3 43.5 -59.2 -45.7 3.1 18.9 -19.2 48 50 A A H > S+ 0 0 10 1,-0.2 4,-2.9 2,-0.2 -1,-0.2 0.877 110.1 58.0 -67.1 -37.3 6.6 20.2 -18.4 49 51 A K H X S+ 0 0 101 -4,-1.7 4,-2.4 2,-0.2 -2,-0.2 0.927 106.0 48.0 -58.5 -48.4 7.4 20.6 -22.1 50 52 A M H X S+ 0 0 101 -4,-2.6 4,-2.8 1,-0.2 -1,-0.2 0.947 113.2 48.0 -57.4 -48.8 4.4 22.9 -22.5 51 53 A Y H X S+ 0 0 46 -4,-1.9 4,-2.8 1,-0.2 5,-0.3 0.888 109.2 54.1 -59.0 -39.4 5.6 24.9 -19.5 52 54 A A H X S+ 0 0 0 -4,-2.9 4,-2.9 1,-0.2 -1,-0.2 0.897 109.7 48.1 -61.8 -39.3 9.1 24.9 -21.0 53 55 A T H X S+ 0 0 45 -4,-2.4 4,-3.0 2,-0.2 5,-0.3 0.938 110.1 51.2 -66.1 -47.8 7.6 26.4 -24.2 54 56 A W H X S+ 0 0 101 -4,-2.8 4,-3.1 2,-0.2 5,-0.3 0.953 115.7 40.8 -53.4 -55.9 5.6 29.0 -22.2 55 57 A T H X S+ 0 0 0 -4,-2.8 4,-2.5 1,-0.2 5,-0.3 0.954 113.5 56.2 -56.5 -51.6 8.7 30.1 -20.4 56 58 A Q H X S+ 0 0 32 -4,-2.9 4,-1.1 -5,-0.3 -2,-0.2 0.870 116.9 33.5 -46.1 -50.6 10.7 29.8 -23.6 57 59 A K H X S+ 0 0 107 -4,-3.0 4,-2.4 2,-0.2 5,-0.2 0.934 113.8 56.4 -77.1 -49.1 8.5 32.2 -25.5 58 60 A T H X S+ 0 0 49 -4,-3.1 4,-1.1 -5,-0.3 -2,-0.2 0.892 108.7 48.1 -51.2 -46.2 7.5 34.6 -22.7 59 61 A S H >X>S+ 0 0 0 -4,-2.5 5,-2.5 -5,-0.3 3,-0.8 0.935 110.7 49.9 -63.1 -47.1 11.1 35.5 -21.9 60 62 A E H ><5S+ 0 0 85 -4,-1.1 3,-0.8 -5,-0.3 -1,-0.2 0.865 107.1 56.2 -60.3 -33.8 12.0 36.0 -25.5 61 63 A S H 3<5S+ 0 0 100 -4,-2.4 -1,-0.3 1,-0.3 -2,-0.2 0.802 105.7 52.1 -67.5 -29.1 9.0 38.3 -25.8 62 64 A M H <<5S- 0 0 14 -4,-1.1 -1,-0.3 -3,-0.8 -2,-0.2 0.574 130.7 -94.2 -82.7 -11.7 10.4 40.3 -22.9 63 65 A G T <<5S+ 0 0 21 -3,-0.8 2,-0.3 -4,-0.7 -3,-0.2 0.613 82.0 136.2 106.1 16.2 13.8 40.7 -24.6 64 66 A F < - 0 0 7 -5,-2.5 2,-0.7 -6,-0.1 -1,-0.3 -0.676 54.4-129.9 -95.5 151.9 15.5 37.7 -23.0 65 67 A R E -h 36 0B 75 -30,-3.0 -28,-2.8 -2,-0.3 2,-0.7 -0.897 27.1-165.1-101.6 108.8 17.7 35.2 -24.8 66 68 A Y E -h 37 0B 14 -2,-0.7 2,-0.7 -30,-0.2 -28,-0.2 -0.867 10.0-170.3-104.0 115.5 16.4 31.7 -23.9 67 69 A D E -h 38 0B 65 -30,-1.2 -28,-3.1 -2,-0.7 2,-0.9 -0.899 10.6-159.6-100.2 114.3 18.6 28.8 -24.6 68 70 A L E -h 39 0B 31 -2,-0.7 2,-0.6 -30,-0.2 -28,-0.2 -0.767 5.9-166.3-101.3 93.3 16.5 25.6 -24.0 69 71 A R E -h 40 0B 59 -30,-1.9 -28,-2.1 -2,-0.9 2,-0.6 -0.653 2.3-161.1 -84.9 115.5 18.9 22.7 -23.5 70 72 A V E -h 41 0B 96 -2,-0.6 2,-0.3 -30,-0.2 -28,-0.2 -0.883 6.0-155.9 -99.3 118.5 17.2 19.3 -23.7 71 73 A I - 0 0 25 -30,-2.9 3,-0.1 -2,-0.6 6,-0.0 -0.679 7.8-152.6 -94.3 145.9 19.1 16.4 -22.1 72 74 A E S S+ 0 0 182 -2,-0.3 2,-0.4 1,-0.3 -1,-0.2 0.964 80.2 25.7 -78.6 -76.3 18.5 12.8 -23.1 73 75 A D S > S- 0 0 79 1,-0.1 3,-1.7 -30,-0.0 4,-0.3 -0.765 78.6-128.6 -95.4 136.9 19.4 10.8 -20.0 74 76 A K G >> S+ 0 0 70 -2,-0.4 3,-2.3 1,-0.3 4,-0.6 0.808 98.0 70.7 -48.4 -42.2 19.1 12.3 -16.6 75 77 A D G 34 S+ 0 0 114 1,-0.3 4,-0.5 2,-0.2 -1,-0.3 0.701 97.7 50.2 -55.1 -23.3 22.6 11.4 -15.4 76 78 A F G <> S+ 0 0 110 -3,-1.7 4,-1.9 1,-0.2 -1,-0.3 0.522 87.0 85.7 -94.3 -3.1 24.3 13.9 -17.8 77 79 A L H <> S+ 0 0 0 -3,-2.3 4,-2.0 -4,-0.3 -1,-0.2 0.937 87.1 54.5 -58.8 -49.5 22.0 16.8 -16.7 78 80 A E H >X S+ 0 0 64 -4,-0.6 4,-1.6 1,-0.2 3,-1.1 0.958 105.7 51.5 -47.9 -59.5 24.4 17.5 -13.8 79 81 A E H 3> S+ 0 0 123 -4,-0.5 4,-1.9 1,-0.3 -1,-0.2 0.850 107.3 54.0 -46.6 -44.2 27.4 17.8 -16.2 80 82 A A H 3X S+ 0 0 21 -4,-1.9 4,-1.7 1,-0.2 -1,-0.3 0.887 104.9 55.7 -61.2 -38.2 25.5 20.2 -18.3 81 83 A I H < S+ 0 0 0 -4,-1.7 3,-0.6 -5,-0.2 -1,-0.3 0.851 103.2 62.1 -73.8 -33.9 26.8 26.3 -17.8 85 87 A N H 3< S+ 0 0 29 -4,-2.1 -2,-0.2 1,-0.3 -1,-0.2 0.917 110.1 39.4 -56.7 -46.3 27.9 27.6 -14.3 86 88 A G H 3< S+ 0 0 60 -4,-1.8 2,-0.7 -5,-0.1 -1,-0.3 0.510 90.7 102.1 -83.4 -8.4 31.3 28.6 -15.8 87 89 A D X< - 0 0 52 -3,-0.6 3,-0.7 -4,-0.5 -4,-0.0 -0.716 55.9-163.2 -80.8 112.5 29.9 29.9 -19.0 88 90 A D T 3 S+ 0 0 142 -2,-0.7 -1,-0.2 1,-0.2 -4,-0.0 0.749 86.3 67.7 -65.9 -26.5 29.9 33.7 -18.7 89 91 A S T 3 S+ 0 0 65 -3,-0.1 2,-0.4 -54,-0.1 -53,-0.4 0.849 86.7 83.3 -61.7 -33.9 27.5 34.0 -21.7 90 92 A V < + 0 0 1 -3,-0.7 -53,-0.1 -6,-0.2 3,-0.1 -0.589 51.9 172.2 -74.1 124.5 24.9 32.3 -19.4 91 93 A N + 0 0 32 -55,-2.2 2,-0.3 -2,-0.4 -54,-0.2 0.695 66.5 17.8-103.5 -29.5 23.3 34.9 -17.1 92 94 A G E -i 37 0B 0 -56,-2.0 -54,-2.9 25,-0.0 2,-0.4 -0.999 59.8-162.0-147.3 147.0 20.6 32.6 -15.6 93 95 A I E +ij 38 117B 0 23,-2.4 25,-1.8 -2,-0.3 26,-0.4 -0.966 10.2 175.5-128.8 144.6 19.9 28.9 -15.3 94 96 A M E -i 39 0B 2 -56,-1.4 -54,-2.0 -2,-0.4 2,-0.4 -0.989 15.0-147.8-148.5 140.9 16.7 27.1 -14.5 95 97 A V E -i 40 0B 3 -2,-0.3 2,-0.7 -56,-0.2 -54,-0.2 -0.892 10.6-135.9-116.7 143.6 15.8 23.4 -14.3 96 98 A Y - 0 0 8 -56,-2.8 -54,-0.4 -2,-0.4 -48,-0.0 -0.865 39.2-123.5 -99.3 113.8 12.5 21.6 -15.1 97 99 A F S S+ 0 0 60 -2,-0.7 -54,-0.1 1,-0.2 -57,-0.0 -0.645 81.6 56.9-100.2 161.4 11.6 19.0 -12.5 98 100 A P + 0 0 76 0, 0.0 -1,-0.2 0, 0.0 -56,-0.1 0.259 61.6 146.2 -80.8 124.5 10.9 16.2 -11.9 99 101 A V S S- 0 0 2 3,-0.1 -55,-0.2 -56,-0.1 -25,-0.1 0.944 92.6 -3.8 -83.8 -65.2 14.2 15.1 -13.4 100 102 A F S S- 0 0 50 2,-0.1 3,-0.1 -26,-0.1 4,-0.1 0.609 94.0-136.8 -98.1 -22.4 14.9 12.1 -11.2 101 103 A G S S+ 0 0 49 1,-0.2 2,-0.2 2,-0.1 -4,-0.0 0.913 70.8 55.7 66.6 45.3 11.8 12.8 -9.0 102 104 A N S >> S- 0 0 84 1,-0.0 3,-1.0 0, 0.0 4,-0.9 -0.812 113.1 -37.1-168.6-151.3 13.4 12.2 -5.6 103 105 A A H >> S+ 0 0 74 1,-0.2 4,-1.9 -2,-0.2 3,-1.1 0.909 123.6 69.0 -58.5 -40.3 16.2 13.4 -3.4 104 106 A Q H 3> S+ 0 0 73 1,-0.3 4,-3.0 2,-0.2 -1,-0.2 0.818 95.3 55.2 -47.6 -36.6 18.5 13.7 -6.4 105 107 A D H <> S+ 0 0 6 -3,-1.0 4,-2.8 2,-0.2 -1,-0.3 0.908 106.1 50.0 -65.6 -38.7 16.4 16.6 -7.6 106 108 A Q H << S+ 0 0 67 -3,-1.1 -1,-0.2 -4,-0.9 -2,-0.2 0.817 112.9 48.6 -67.5 -29.9 17.0 18.3 -4.2 107 109 A Y H >< S+ 0 0 116 -4,-1.9 3,-1.5 2,-0.2 4,-0.4 0.916 110.0 50.9 -72.9 -45.3 20.7 17.6 -4.8 108 110 A L H >X S+ 0 0 1 -4,-3.0 3,-2.2 1,-0.3 4,-1.1 0.905 101.5 61.0 -60.4 -41.5 20.5 19.0 -8.4 109 111 A Q T 3< S+ 0 0 12 -4,-2.8 -1,-0.3 1,-0.3 -2,-0.2 0.611 105.1 50.5 -63.6 -10.4 18.9 22.2 -7.2 110 112 A Q T <4 S+ 0 0 75 -3,-1.5 -1,-0.3 -4,-0.2 -2,-0.2 0.469 98.7 65.6-102.7 -8.6 22.0 22.8 -5.1 111 113 A V T <4 S+ 0 0 29 -3,-2.2 -2,-0.2 -4,-0.4 3,-0.1 0.851 77.6 100.4 -80.0 -37.7 24.4 22.2 -8.0 112 114 A V S < S- 0 0 4 -4,-1.1 2,-0.2 1,-0.2 5,-0.1 -0.139 93.9 -89.9 -50.1 138.6 23.3 25.3 -10.0 113 115 A C >> - 0 0 26 -32,-0.2 3,-2.8 1,-0.2 4,-1.5 -0.355 34.8-136.5 -56.5 116.7 25.6 28.3 -9.7 114 116 A K T 34 S+ 0 0 58 1,-0.3 -1,-0.2 -2,-0.2 8,-0.1 0.756 102.3 48.4 -46.0 -37.0 24.3 30.2 -6.7 115 117 A E T 34 S+ 0 0 91 1,-0.2 -1,-0.3 196,-0.0 197,-0.2 0.433 117.3 41.8 -88.4 1.7 24.6 33.6 -8.5 116 118 A K T <4 S+ 0 0 27 -3,-2.8 -23,-2.4 -24,-0.1 2,-1.1 0.422 78.1 118.6-121.0 -9.8 22.8 32.3 -11.6 117 119 A D B >< -j 93 0B 2 -4,-1.5 3,-0.7 -25,-0.2 -23,-0.1 -0.478 41.8-174.8 -64.1 98.7 20.1 30.3 -9.9 118 120 A V T 3 S+ 0 0 0 -25,-1.8 -1,-0.2 -2,-1.1 187,-0.2 0.707 75.9 48.6 -72.0 -23.6 17.0 32.2 -11.3 119 121 A E T 3 S- 0 0 20 -26,-0.4 29,-1.7 28,-0.1 30,-0.3 0.493 108.9-113.2 -97.1 -1.8 14.4 30.3 -9.3 120 122 A G < + 0 0 0 -3,-0.7 -2,-0.1 27,-0.2 -6,-0.0 0.899 66.2 147.8 72.5 35.6 16.0 30.6 -5.9 121 123 A L + 0 0 13 25,-0.1 5,-0.1 4,-0.1 -12,-0.1 0.882 37.3 100.2 -68.4 -42.2 16.5 26.8 -5.9 122 124 A N S >> S- 0 0 18 1,-0.1 3,-0.9 -8,-0.1 4,-0.8 -0.099 83.5-118.8 -50.3 142.4 19.7 27.1 -3.9 123 125 A H H >> S+ 0 0 93 1,-0.2 4,-2.5 2,-0.2 3,-1.0 0.825 106.6 66.5 -51.5 -42.6 19.4 26.3 -0.1 124 126 A V H 3> S+ 0 0 44 1,-0.3 4,-3.2 2,-0.2 5,-0.3 0.888 97.2 53.6 -51.2 -43.3 20.6 29.8 0.9 125 127 A Y H <> S+ 0 0 3 -3,-0.9 4,-0.8 1,-0.2 -1,-0.3 0.820 111.1 48.4 -63.4 -28.3 17.5 31.4 -0.5 126 128 A Y H S+ 0 0 25 -4,-3.2 5,-3.0 -5,-0.2 -1,-0.3 0.801 109.0 52.5 -64.0 -28.3 17.2 33.4 4.3 129 131 A L H ><5S+ 0 0 6 -4,-0.8 3,-1.3 -3,-0.4 -2,-0.2 0.956 111.8 43.8 -70.7 -50.8 13.5 33.0 3.9 130 132 A Y H 3<5S+ 0 0 15 -4,-2.3 94,-0.4 1,-0.3 -2,-0.2 0.776 117.9 43.7 -63.8 -35.6 13.1 31.0 7.2 131 133 A H T 3<5S- 0 0 57 -4,-2.3 -1,-0.3 -5,-0.2 91,-0.2 0.083 110.1-123.3 -97.5 18.6 15.4 33.3 9.1 132 134 A N T < 5 + 0 0 38 -3,-1.3 2,-0.5 1,-0.2 -3,-0.2 0.821 51.4 164.4 38.5 49.1 13.7 36.4 7.5 133 135 A V < - 0 0 57 -5,-3.0 -1,-0.2 -6,-0.2 -2,-0.1 -0.819 22.0-167.7 -93.5 128.6 17.1 37.6 6.2 134 136 A R + 0 0 117 -2,-0.5 10,-3.3 1,-0.1 2,-0.3 0.913 63.1 35.3 -84.6 -48.6 16.7 40.3 3.5 135 137 A Y B -K 143 0C 56 8,-0.3 8,-0.3 2,-0.1 -1,-0.1 -0.739 56.7-147.5-111.7 160.0 20.2 40.6 2.0 136 138 A L S S+ 0 0 62 6,-3.3 7,-0.1 -2,-0.3 2,-0.1 0.598 83.9 57.9 -94.4 -20.2 23.1 38.3 1.2 137 139 A D S S- 0 0 39 5,-0.5 -2,-0.1 1,-0.1 7,-0.1 -0.330 83.8-120.0 -99.3-171.1 25.8 40.8 1.8 138 140 A K S S+ 0 0 180 -2,-0.1 -1,-0.1 1,-0.1 -3,-0.0 0.703 107.2 61.3-104.4 -25.3 26.7 43.0 4.8 139 141 A E S S- 0 0 130 1,-0.0 -1,-0.1 3,-0.0 0, 0.0 0.437 109.6-121.8 -79.5 -0.2 26.3 46.4 3.3 140 142 A N S S+ 0 0 99 2,-0.1 3,-0.1 1,-0.1 -2,-0.1 0.950 82.5 113.7 57.4 53.8 22.6 45.4 2.8 141 143 A R + 0 0 121 1,-0.1 2,-0.9 2,-0.0 -1,-0.1 0.507 54.0 73.0-125.7 -17.4 22.9 45.9 -1.0 142 144 A L S S- 0 0 29 172,-0.0 -6,-3.3 170,-0.0 -5,-0.5 -0.768 74.6-150.3-106.0 88.9 22.5 42.4 -2.3 143 145 A K B -K 135 0C 85 -2,-0.9 2,-0.7 -8,-0.3 -8,-0.3 -0.254 15.5-125.1 -56.8 138.4 18.8 41.4 -1.9 144 146 A S - 0 0 12 -10,-3.3 -1,-0.1 -11,-0.1 2,-0.1 -0.822 26.0-135.1 -89.3 116.4 18.3 37.7 -1.3 145 147 A I - 0 0 5 -2,-0.7 -17,-0.1 159,-0.1 -16,-0.1 -0.405 15.5-131.4 -71.0 149.1 15.8 36.5 -3.9 146 148 A L - 0 0 45 1,-0.1 -20,-0.1 -2,-0.1 -25,-0.1 -0.808 35.9 -83.0-104.4 145.6 13.0 34.2 -2.8 147 149 A P > - 0 0 2 0, 0.0 4,-2.2 0, 0.0 -27,-0.2 -0.195 43.0-131.0 -46.5 124.3 12.1 30.9 -4.5 148 150 A C H > S+ 0 0 2 -29,-1.7 4,-3.3 1,-0.2 5,-0.2 0.806 96.5 56.6 -51.4 -43.1 9.8 31.8 -7.4 149 151 A T H > S+ 0 0 34 -30,-0.3 4,-1.9 2,-0.2 -1,-0.2 0.955 114.6 35.6 -60.3 -54.5 6.9 29.4 -6.7 150 152 A P H > S+ 0 0 0 0, 0.0 4,-1.8 0, 0.0 -1,-0.2 0.919 119.0 53.2 -66.8 -36.3 6.1 30.4 -3.2 151 153 A L H X S+ 0 0 16 -4,-2.2 4,-2.4 1,-0.2 -2,-0.2 0.931 106.9 52.4 -59.1 -47.4 6.9 34.0 -4.0 152 154 A A H X S+ 0 0 0 -4,-3.3 4,-1.9 1,-0.2 -1,-0.2 0.921 105.4 53.7 -55.1 -49.7 4.5 33.9 -7.0 153 155 A I H X S+ 0 0 0 -4,-1.9 4,-1.4 1,-0.2 -1,-0.2 0.908 110.3 48.0 -54.4 -42.4 1.6 32.6 -4.8 154 156 A V H X S+ 0 0 8 -4,-1.8 4,-2.0 1,-0.2 -1,-0.2 0.917 108.8 52.6 -65.3 -43.9 2.2 35.6 -2.5 155 157 A K H X S+ 0 0 35 -4,-2.4 4,-1.9 1,-0.3 -1,-0.2 0.785 105.7 55.4 -62.8 -27.1 2.3 38.1 -5.4 156 158 A I H X S+ 0 0 0 -4,-1.9 4,-2.4 2,-0.2 -1,-0.3 0.875 106.9 51.2 -70.9 -35.5 -1.0 36.6 -6.5 157 159 A L H <>S+ 0 0 2 -4,-1.4 5,-1.6 -3,-0.2 6,-0.9 0.878 108.2 50.3 -68.1 -40.6 -2.3 37.4 -3.0 158 160 A E H ><5S+ 0 0 56 -4,-2.0 3,-1.3 1,-0.2 -2,-0.2 0.915 111.6 48.9 -64.9 -41.4 -1.1 41.0 -3.3 159 161 A F H 3<5S+ 0 0 53 -4,-1.9 -2,-0.2 1,-0.3 -1,-0.2 0.931 106.0 56.9 -63.0 -45.4 -2.9 41.3 -6.6 160 162 A L T 3<5S- 0 0 17 -4,-2.4 -1,-0.3 1,-0.1 -2,-0.2 0.342 109.7-123.6 -69.8 5.5 -6.1 39.9 -5.2 161 163 A K T < 5S+ 0 0 154 -3,-1.3 -3,-0.2 1,-0.1 -1,-0.1 0.630 78.8 123.7 60.7 16.4 -6.1 42.7 -2.6 162 164 A I < + 0 0 32 -5,-1.6 2,-0.7 2,-0.1 -4,-0.2 0.743 54.2 84.8 -75.0 -24.5 -6.2 40.0 0.2 163 165 A Y S S- 0 0 4 -6,-0.9 2,-1.8 -5,-0.1 10,-0.1 -0.721 87.2-134.3 -79.6 115.9 -3.1 41.7 1.5 164 166 A N > - 0 0 71 8,-1.0 3,-1.9 -2,-0.7 10,-0.1 -0.554 19.1-167.5 -76.3 87.2 -4.4 44.6 3.7 165 167 A N T 3 S+ 0 0 131 -2,-1.8 -1,-0.2 1,-0.3 4,-0.1 0.356 75.6 78.3 -58.5 4.8 -2.0 47.3 2.4 166 168 A L T 3 S+ 0 0 137 6,-0.1 -1,-0.3 2,-0.1 -2,-0.1 0.397 84.7 76.1 -93.1 0.4 -3.1 49.6 5.3 167 169 A L S < S- 0 0 64 -3,-1.9 5,-0.1 1,-0.1 3,-0.1 -0.835 92.3-101.2-110.3 147.7 -0.8 47.6 7.6 168 170 A P > - 0 0 96 0, 0.0 3,-1.2 0, 0.0 -1,-0.1 -0.201 54.0 -75.1 -63.1 160.9 3.1 48.0 7.6 169 171 A E T 3 S+ 0 0 149 1,-0.2 -4,-0.0 2,-0.2 29,-0.0 -0.128 115.6 29.4 -57.2 149.3 5.3 45.4 5.9 170 172 A G T 3 S+ 0 0 26 -3,-0.1 -1,-0.2 1,-0.1 0, 0.0 0.483 121.5 53.7 79.5 1.6 5.8 42.0 7.5 171 173 A N X + 0 0 48 -3,-1.2 3,-1.6 -4,-0.1 -2,-0.2 0.195 65.5 112.4-149.6 17.8 2.3 42.1 9.2 172 174 A R T 3 S+ 0 0 42 1,-0.3 -8,-1.0 -5,-0.1 3,-0.2 0.834 80.2 53.4 -64.7 -32.8 0.0 42.8 6.2 173 175 A L T > S+ 0 0 2 25,-1.6 3,-1.7 1,-0.2 -1,-0.3 0.214 77.1 131.8 -89.2 18.7 -1.5 39.4 6.6 174 176 A Y T < S+ 0 0 162 -3,-1.6 27,-0.2 24,-0.4 -1,-0.2 0.834 70.7 28.1 -34.2 -83.3 -2.3 39.9 10.3 175 177 A G T 3 S+ 0 0 66 -3,-0.2 -1,-0.3 25,-0.1 2,-0.2 0.156 101.7 100.0 -77.4 21.9 -5.9 38.9 10.9 176 178 A K < - 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