==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=12-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 26-MAR-04 1SUI . COMPND 2 MOLECULE: CAFFEOYL-COA O-METHYLTRANSFERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: MEDICAGO SATIVA; . AUTHOR J.-L.FERRER,C.ZUBIETA,R.A.DIXON,J.P.NOEL . 912 8 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 42911.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 684 75.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 80 8.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 44 4.8 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 . 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 . 1 0.1 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 . 79 8.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 138 15.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 287 31.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 17 1.9 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 3 0 2 1 2 6 3 6 3 2 1 0 0 1 1 2 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 5 2 3 4 5 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 . 5 0 3 3 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 0 0 1 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 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 21 A K 0 0 224 0, 0.0 2,-0.3 0, 0.0 173,-0.0 0.000 360.0 360.0 360.0-167.1 31.7 44.8 37.3 2 22 A S - 0 0 18 2,-0.2 216,-0.1 172,-0.0 214,-0.1 -0.891 360.0 -99.2-152.4 179.5 27.9 44.4 37.0 3 23 A L S S+ 0 0 4 214,-0.5 458,-1.4 -2,-0.3 459,-0.2 0.316 90.8 93.2 -90.6 7.0 24.6 46.4 37.1 4 24 A L B S-A 460 0A 14 456,-0.3 456,-0.3 2,-0.1 -2,-0.2 -0.302 90.6-100.6 -93.2-179.7 23.9 45.5 40.7 5 25 A Q S S+ 0 0 58 454,-2.2 2,-0.3 1,-0.1 455,-0.1 0.779 99.5 16.8 -73.0 -28.6 24.7 47.4 43.9 6 26 A S > - 0 0 50 453,-0.2 4,-1.6 1,-0.1 3,-0.2 -0.993 63.9-128.7-146.9 152.8 27.8 45.3 44.9 7 27 A D H > S+ 0 0 100 -2,-0.3 4,-1.4 1,-0.2 -1,-0.1 0.678 111.7 55.7 -72.7 -15.4 30.2 42.9 43.3 8 28 A A H > S+ 0 0 60 2,-0.2 4,-2.0 3,-0.1 -1,-0.2 0.796 103.0 51.6 -86.8 -29.2 29.5 40.5 46.1 9 29 A L H > S+ 0 0 3 2,-0.2 4,-1.4 -3,-0.2 -2,-0.2 0.936 112.9 46.8 -69.6 -46.0 25.7 40.4 45.7 10 30 A Y H >X S+ 0 0 38 -4,-1.6 4,-1.8 1,-0.2 3,-0.6 0.942 110.9 51.5 -58.9 -49.4 26.2 39.5 42.0 11 31 A Q H 3X S+ 0 0 88 -4,-1.4 4,-3.6 1,-0.2 5,-0.3 0.894 103.2 60.2 -55.3 -40.9 28.8 36.9 42.9 12 32 A Y H 3X S+ 0 0 16 -4,-2.0 4,-1.7 1,-0.2 5,-0.3 0.877 104.3 49.5 -54.7 -41.0 26.3 35.4 45.4 13 33 A I H S+ 0 0 6 -4,-1.8 5,-2.6 1,-0.2 4,-1.2 0.940 114.7 46.6 -67.2 -52.3 26.7 33.1 40.5 15 35 A E H <5S+ 0 0 111 -4,-3.6 -1,-0.2 3,-0.2 -2,-0.2 0.777 124.0 32.0 -65.1 -27.0 28.2 31.0 43.2 16 36 A T H <5S+ 0 0 24 -4,-1.7 -2,-0.2 -5,-0.3 -3,-0.2 0.843 133.0 16.1-103.1 -37.7 24.8 29.8 44.4 17 37 A S H <5S+ 0 0 10 -4,-2.3 -3,-0.2 -5,-0.3 -2,-0.1 0.401 127.0 36.6-120.7 5.7 22.4 29.5 41.5 18 38 A V T <5S+ 0 0 3 -4,-1.2 -3,-0.2 -5,-0.5 -4,-0.2 0.701 108.6 44.3-118.0 -68.4 24.5 29.6 38.4 19 39 A F S - 0 0 26 -3,-0.2 2,-3.3 0, 0.0 5,-0.6 -0.461 69.3-107.4-146.4 64.8 25.9 24.6 34.4 23 43 A H T 5 - 0 0 107 1,-0.2 -2,-0.0 2,-0.1 0, 0.0 -0.099 37.7-119.2 46.7 -62.8 26.6 22.0 31.8 24 44 A E T >5S+ 0 0 101 -2,-3.3 4,-3.3 -3,-0.0 -1,-0.2 -0.359 102.3 83.0 124.8 -45.8 30.5 22.4 31.7 25 45 A A H >5S+ 0 0 2 1,-0.3 4,-2.8 2,-0.2 5,-0.3 0.875 94.1 50.1 -52.2 -39.5 30.7 23.3 28.1 26 46 A M H >5S+ 0 0 12 -4,-0.4 4,-2.3 2,-0.2 -1,-0.3 0.906 108.8 51.9 -65.2 -41.9 29.9 26.8 29.3 27 47 A K H >X S+ 0 0 45 -4,-3.3 3,-3.4 1,-0.2 4,-1.9 0.994 114.8 46.9 -58.6 -68.7 35.1 25.5 29.2 29 49 A L H 3X S+ 0 0 0 -4,-2.8 4,-2.4 1,-0.3 -1,-0.2 0.799 108.9 57.0 -44.5 -36.3 34.1 28.0 26.6 30 50 A R H 3X S+ 0 0 58 -4,-2.3 4,-0.7 -5,-0.3 -1,-0.3 0.748 109.0 47.3 -69.7 -21.8 34.1 30.7 29.3 31 51 A E H < S+ 0 0 56 -4,-1.9 3,-1.4 1,-0.2 4,-0.4 0.959 112.6 47.9 -58.1 -52.2 38.8 29.7 26.3 33 53 A T H >< S+ 0 0 2 -4,-2.4 3,-1.5 1,-0.3 -1,-0.2 0.784 96.6 72.4 -62.3 -29.5 37.3 33.2 25.8 34 54 A A H 3< S+ 0 0 64 -4,-0.7 -1,-0.3 1,-0.3 -2,-0.2 0.747 95.2 52.4 -60.6 -23.2 39.0 34.5 29.0 35 55 A K T << S+ 0 0 185 -3,-1.4 -1,-0.3 -4,-0.6 -2,-0.2 0.602 90.4 98.1 -87.0 -12.8 42.4 34.5 27.2 36 56 A H S X S- 0 0 24 -3,-1.5 3,-1.5 -4,-0.4 -3,-0.0 -0.552 78.4-126.4 -80.2 139.4 41.0 36.5 24.2 37 57 A P T 3 S+ 0 0 98 0, 0.0 3,-0.4 0, 0.0 -1,-0.1 0.872 106.2 43.9 -49.5 -52.5 41.6 40.3 24.2 38 58 A W T > S+ 0 0 156 1,-0.2 3,-2.4 2,-0.1 4,-0.3 0.071 70.6 131.9 -88.6 27.8 38.0 41.5 23.7 39 59 A N G X + 0 0 68 -3,-1.5 3,-1.3 1,-0.3 -1,-0.2 0.655 52.5 84.1 -53.9 -14.2 36.7 39.0 26.3 40 60 A I G 3 S+ 0 0 117 -3,-0.4 -1,-0.3 1,-0.3 -2,-0.1 0.734 84.3 59.3 -62.5 -19.4 34.7 42.0 27.8 41 61 A M G < S+ 0 0 68 -3,-2.4 -1,-0.3 2,-0.1 -2,-0.2 0.675 75.8 114.7 -84.4 -18.6 32.0 41.3 25.2 42 62 A T S < S- 0 0 39 -3,-1.3 28,-0.1 -4,-0.3 27,-0.1 -0.236 77.3-104.9 -56.8 136.0 31.2 37.8 26.2 43 63 A T - 0 0 7 1,-0.1 -1,-0.1 2,-0.1 2,-0.1 -0.307 42.0-106.3 -58.3 144.2 27.7 37.3 27.6 44 64 A S > - 0 0 29 1,-0.1 4,-1.7 -3,-0.1 3,-0.2 -0.342 21.3-115.9 -73.0 155.8 27.7 36.9 31.5 45 65 A A H > S+ 0 0 9 1,-0.2 4,-1.8 2,-0.2 -1,-0.1 0.848 115.3 51.3 -60.5 -37.6 27.0 33.5 33.1 46 66 A D H > S+ 0 0 16 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.824 110.4 49.2 -71.2 -30.2 23.8 34.7 34.7 47 67 A E H > S+ 0 0 3 -3,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.779 107.2 53.9 -78.4 -27.7 22.5 36.0 31.4 48 68 A G H X S+ 0 0 2 -4,-1.7 4,-2.4 2,-0.2 -2,-0.2 0.914 109.7 50.6 -68.9 -38.9 23.3 32.8 29.7 49 69 A Q H X S+ 0 0 41 -4,-1.8 4,-2.3 2,-0.2 -2,-0.2 0.900 108.5 50.0 -62.6 -45.0 21.2 31.2 32.4 50 70 A F H X S+ 0 0 16 -4,-1.9 4,-3.1 2,-0.2 -1,-0.2 0.918 110.4 50.4 -62.0 -42.8 18.3 33.5 31.9 51 71 A L H X S+ 0 0 1 -4,-2.1 4,-3.4 2,-0.2 5,-0.3 0.932 108.7 52.2 -60.8 -45.0 18.4 32.8 28.1 52 72 A S H X S+ 0 0 34 -4,-2.4 4,-2.1 2,-0.2 -1,-0.2 0.937 113.2 44.5 -55.8 -47.1 18.4 29.1 28.8 53 73 A M H X S+ 0 0 8 -4,-2.3 4,-2.9 2,-0.2 5,-0.2 0.977 114.8 47.5 -59.1 -58.1 15.3 29.5 31.0 54 74 A L H X S+ 0 0 6 -4,-3.1 4,-1.6 1,-0.2 -2,-0.2 0.887 111.4 50.8 -51.8 -46.2 13.6 31.8 28.6 55 75 A L H <>S+ 0 0 2 -4,-3.4 5,-1.6 -5,-0.2 4,-0.3 0.902 112.2 47.2 -62.1 -42.0 14.3 29.5 25.6 56 76 A K H ><5S+ 0 0 53 -4,-2.1 3,-1.3 -5,-0.3 -2,-0.2 0.940 109.7 53.0 -64.1 -49.0 12.9 26.5 27.5 57 77 A L H 3<5S+ 0 0 27 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.772 114.0 41.5 -60.5 -28.3 9.7 28.3 28.7 58 78 A I T 3<5S- 0 0 34 -4,-1.6 -1,-0.3 -5,-0.2 -2,-0.2 0.393 103.4-128.9-102.1 6.6 8.8 29.4 25.2 59 79 A N T < 5 - 0 0 132 -3,-1.3 -3,-0.2 -4,-0.3 -4,-0.1 0.831 36.5-170.5 51.3 37.8 9.7 26.1 23.6 60 80 A A < + 0 0 1 -5,-1.6 -1,-0.2 -6,-0.2 3,-0.1 -0.347 22.1 161.7 -62.5 132.9 11.8 27.9 21.0 61 81 A K + 0 0 105 1,-0.3 25,-2.1 20,-0.1 2,-0.6 0.674 63.7 47.3-118.7 -44.9 12.9 25.6 18.2 62 82 A N E S+b 86 0B 49 23,-0.2 76,-2.9 25,-0.0 77,-1.1 -0.898 74.5 161.8-109.2 112.6 13.9 28.0 15.4 63 83 A T E -bc 87 139B 1 23,-3.2 25,-2.4 -2,-0.6 2,-0.3 -0.763 28.7-147.9-129.8 173.6 16.1 30.9 16.3 64 84 A M E -bc 88 140B 1 75,-1.8 77,-2.7 23,-0.3 2,-0.4 -0.995 8.2-164.4-140.0 140.3 18.5 33.6 15.1 65 85 A E E -bc 89 141B 2 23,-2.7 25,-2.9 -2,-0.3 2,-0.6 -0.995 2.7-163.9-129.5 126.2 21.5 35.2 16.8 66 86 A I E S+bc 90 142B 3 75,-3.0 77,-3.1 -2,-0.4 25,-0.2 -0.934 75.4 28.4-112.5 113.6 23.2 38.5 15.7 67 87 A G + 0 0 0 23,-2.9 -1,-0.2 -2,-0.6 24,-0.2 0.637 64.2 173.6 101.2 95.5 26.7 39.0 17.2 68 88 A V > + 0 0 0 22,-0.2 3,-1.6 845,-0.1 5,-0.3 0.860 5.7 168.7 -99.9 -48.8 28.2 35.6 18.0 69 89 A Y G > S- 0 0 0 1,-0.3 2,-4.0 2,-0.1 3,-0.7 0.807 76.1 -17.5 33.6 114.3 31.8 36.2 19.1 70 90 A T G 3 S- 0 0 0 1,-0.2 -1,-0.3 2,-0.1 30,-0.1 0.079 106.0 -97.2 60.9 -41.4 33.5 33.2 20.6 71 91 A G G <> S+ 0 0 0 -2,-4.0 4,-3.3 -3,-1.6 5,-0.2 0.507 77.3 132.3 113.6 3.2 30.1 31.5 21.1 72 92 A Y H <> S+ 0 0 3 -3,-0.7 4,-2.3 841,-0.4 5,-0.2 0.908 82.6 39.8 -56.3 -52.4 28.7 31.8 24.6 73 93 A S H > S+ 0 0 0 -5,-0.3 4,-2.7 -4,-0.2 -1,-0.2 0.916 118.8 51.2 -61.0 -43.6 25.1 32.9 23.8 74 94 A L H > S+ 0 0 0 -6,-0.3 4,-3.3 2,-0.2 5,-0.3 0.946 108.8 48.2 -57.5 -55.5 25.1 30.4 21.0 75 95 A L H X S+ 0 0 0 -4,-3.3 4,-2.2 1,-0.2 5,-0.2 0.933 112.8 49.6 -52.7 -50.8 26.3 27.5 23.1 76 96 A A H X S+ 0 0 1 -4,-2.3 4,-1.0 -5,-0.2 -1,-0.2 0.921 113.8 45.9 -56.2 -45.8 23.7 28.3 25.7 77 97 A T H >X S+ 0 0 1 -4,-2.7 4,-2.3 1,-0.2 3,-0.7 0.932 111.4 50.6 -64.4 -47.0 21.0 28.5 23.1 78 98 A A H 3< S+ 0 0 0 -4,-3.3 -1,-0.2 1,-0.3 -2,-0.2 0.839 110.6 50.1 -62.2 -33.2 22.0 25.3 21.3 79 99 A L H 3< S+ 0 0 46 -4,-2.2 -1,-0.3 -5,-0.3 -2,-0.2 0.708 113.0 48.2 -77.7 -19.4 22.0 23.4 24.6 80 100 A A H << S+ 0 0 8 -4,-1.0 -2,-0.2 -3,-0.7 -1,-0.2 0.827 97.6 72.9 -92.3 -32.5 18.6 24.7 25.5 81 101 A I S < S- 0 0 8 -4,-2.3 -20,-0.1 1,-0.1 4,-0.1 -0.359 94.7 -85.3 -79.0 162.5 16.6 24.0 22.3 82 102 A P > - 0 0 53 0, 0.0 3,-2.4 0, 0.0 -1,-0.1 -0.063 45.8 -92.7 -61.9 168.3 15.6 20.5 21.2 83 103 A E T 3 S+ 0 0 133 1,-0.3 -2,-0.1 -4,-0.1 -5,-0.0 0.702 127.6 46.2 -56.2 -23.2 17.7 18.1 19.3 84 104 A D T 3 S+ 0 0 84 2,-0.1 -1,-0.3 28,-0.0 2,-0.1 0.064 86.8 129.7-107.8 21.3 16.2 19.3 16.0 85 105 A G < - 0 0 2 -3,-2.4 2,-0.4 -7,-0.1 -23,-0.2 -0.418 43.4-149.9 -76.7 153.0 16.5 23.0 16.8 86 106 A K E -b 62 0B 107 -25,-2.1 -23,-3.2 -2,-0.1 2,-0.4 -0.972 10.3-168.7-130.2 142.5 18.1 25.4 14.4 87 107 A I E -bd 63 113B 3 25,-2.7 27,-2.6 -2,-0.4 2,-0.8 -0.992 13.4-152.8-131.8 125.7 20.0 28.6 14.9 88 108 A L E -bd 64 114B 13 -25,-2.4 -23,-2.7 -2,-0.4 2,-0.5 -0.869 24.9-168.2 -96.3 106.2 21.0 31.2 12.2 89 109 A A E -bd 65 115B 0 25,-1.8 27,-2.7 -2,-0.8 2,-0.4 -0.875 5.4-171.7-105.4 123.5 24.1 32.8 13.7 90 110 A M E +bd 66 116B 2 -25,-2.9 -23,-2.9 -2,-0.5 2,-0.3 -0.919 14.8 150.3-117.3 131.6 25.6 36.0 12.2 91 111 A D E - d 0 117B 3 25,-1.5 27,-2.1 -2,-0.4 -2,-0.0 -0.965 39.6-139.6-157.4 140.2 28.9 37.7 12.9 92 112 A I S S+ 0 0 84 -2,-0.3 -1,-0.1 25,-0.2 25,-0.1 0.777 96.3 47.4 -70.4 -27.3 31.4 39.9 11.0 93 113 A N + 0 0 32 25,-0.1 -2,-0.1 1,-0.1 -1,-0.1 0.962 60.5 173.9 -78.1 -84.7 34.5 38.4 12.4 94 114 A K > + 0 0 71 22,-0.0 4,-1.5 23,-0.0 -1,-0.1 -0.030 66.0 81.1 97.3 -29.6 34.5 34.5 12.4 95 115 A E H >> S+ 0 0 133 2,-0.2 4,-0.9 1,-0.2 3,-0.7 0.975 98.1 49.0 -66.5 -49.2 38.0 33.8 13.6 96 116 A N H >> S+ 0 0 10 1,-0.3 3,-1.3 2,-0.2 4,-0.7 0.892 106.7 54.6 -50.5 -49.9 36.5 34.5 17.1 97 117 A Y H >> S+ 0 0 15 1,-0.3 4,-1.0 2,-0.2 3,-0.7 0.851 106.1 51.5 -56.5 -36.5 33.6 32.1 16.4 98 118 A E H << S+ 0 0 99 -4,-1.5 -1,-0.3 -3,-0.7 -2,-0.2 0.658 93.9 73.8 -76.8 -13.1 35.9 29.3 15.6 99 119 A L H << S+ 0 0 76 -3,-1.3 -1,-0.2 -4,-0.9 -2,-0.2 0.855 111.5 27.8 -65.9 -33.4 37.8 29.9 18.8 100 120 A G H XX S+ 0 0 0 -3,-0.7 4,-1.8 -4,-0.7 3,-1.0 0.548 96.2 91.0-104.4 -11.2 34.8 28.4 20.6 101 121 A L H 3X S+ 0 0 27 -4,-1.0 4,-2.5 1,-0.3 5,-0.3 0.852 79.4 63.9 -54.6 -36.6 33.5 26.0 17.9 102 122 A P H 3> S+ 0 0 78 0, 0.0 4,-2.0 0, 0.0 -1,-0.3 0.920 105.5 46.4 -55.2 -39.4 35.7 23.2 19.3 103 123 A V H <> S+ 0 0 8 -3,-1.0 4,-2.3 2,-0.2 5,-0.2 0.945 109.0 52.0 -67.1 -49.3 33.7 23.4 22.5 104 124 A I H <>S+ 0 0 0 -4,-1.8 5,-2.4 1,-0.2 6,-0.7 0.886 112.7 47.7 -56.4 -36.3 30.3 23.5 20.8 105 125 A K H ><5S+ 0 0 117 -4,-2.5 3,-1.3 1,-0.2 -1,-0.2 0.871 109.4 52.2 -71.4 -37.7 31.3 20.4 18.8 106 126 A K H 3<5S+ 0 0 137 -4,-2.0 -2,-0.2 1,-0.3 -1,-0.2 0.808 106.8 53.1 -67.8 -28.2 32.5 18.7 22.0 107 127 A A T 3<5S- 0 0 30 -4,-2.3 -1,-0.3 -5,-0.1 -2,-0.2 0.437 113.6-127.9 -84.2 1.6 29.1 19.4 23.5 108 128 A G T < 5S+ 0 0 41 -3,-1.3 -3,-0.2 -5,-0.2 -2,-0.1 0.764 82.4 103.8 58.5 32.8 27.8 17.7 20.4 109 129 A V > < + 0 0 4 -5,-2.4 3,-1.7 1,-0.1 4,-0.3 0.332 37.7 102.8-125.3 7.7 25.4 20.6 19.5 110 130 A D G > + 0 0 56 -6,-0.7 3,-1.0 1,-0.3 -5,-0.1 0.675 67.8 77.2 -64.5 -16.1 27.3 22.3 16.7 111 131 A H G 3 S+ 0 0 101 1,-0.2 -1,-0.3 -7,-0.2 -2,-0.1 0.658 88.0 57.0 -70.9 -13.4 24.8 20.6 14.3 112 132 A K G < S+ 0 0 11 -3,-1.7 -25,-2.7 -26,-0.1 2,-0.4 0.628 90.1 93.0 -90.4 -14.0 22.1 23.1 15.1 113 133 A I E < -d 87 0B 23 -3,-1.0 2,-0.6 -4,-0.3 -25,-0.2 -0.673 48.5-174.3 -89.6 131.4 24.2 26.1 14.1 114 134 A D E -d 88 0B 80 -27,-2.6 -25,-1.8 -2,-0.4 2,-0.3 -0.882 21.1-164.0-118.1 90.8 24.2 27.7 10.7 115 135 A F E -d 89 0B 33 -2,-0.6 2,-0.4 -27,-0.2 -25,-0.2 -0.608 8.7-171.7 -83.3 140.6 26.9 30.3 10.9 116 136 A R E -d 90 0B 104 -27,-2.7 -25,-1.5 -2,-0.3 2,-0.3 -0.968 15.7-140.9-132.4 115.3 27.1 33.0 8.4 117 137 A E E +d 91 0B 114 -2,-0.4 -25,-0.2 -27,-0.2 -27,-0.1 -0.568 58.4 51.3 -78.1 137.8 30.1 35.4 8.2 118 138 A G S S- 0 0 15 -27,-2.1 -25,-0.1 -2,-0.3 -2,-0.1 -0.497 90.4 -32.3 127.9 165.5 29.3 39.0 7.5 119 139 A P > - 0 0 79 0, 0.0 4,-0.8 0, 0.0 -28,-0.1 -0.223 49.4-139.4 -54.0 138.3 27.3 42.1 8.3 120 140 A A H > S+ 0 0 5 1,-0.2 4,-2.5 2,-0.1 5,-0.2 0.904 88.9 64.8 -71.4 -44.8 23.8 41.3 9.5 121 141 A L H > S+ 0 0 39 1,-0.2 4,-3.3 2,-0.2 5,-0.3 0.875 99.3 52.5 -47.3 -52.9 21.6 44.0 7.8 122 142 A P H > S+ 0 0 63 0, 0.0 4,-2.0 0, 0.0 -1,-0.2 0.957 112.9 44.9 -48.6 -56.9 22.3 42.8 4.2 123 143 A V H X S+ 0 0 28 -4,-0.8 4,-2.2 1,-0.2 -2,-0.2 0.887 113.3 51.4 -55.0 -43.9 21.3 39.2 5.1 124 144 A L H X S+ 0 0 0 -4,-2.5 4,-2.3 1,-0.2 -1,-0.2 0.967 107.7 51.2 -59.2 -54.3 18.2 40.6 7.0 125 145 A D H X S+ 0 0 61 -4,-3.3 4,-0.9 1,-0.2 -1,-0.2 0.841 109.7 51.9 -52.6 -35.5 17.2 42.7 4.0 126 146 A E H >X S+ 0 0 121 -4,-2.0 4,-0.8 -5,-0.3 3,-0.7 0.925 107.3 50.5 -70.1 -42.5 17.4 39.6 1.8 127 147 A M H >< S+ 0 0 24 -4,-2.2 3,-0.8 1,-0.2 6,-0.3 0.887 102.6 62.7 -61.4 -38.4 15.3 37.4 4.1 128 148 A I H 3< S+ 0 0 45 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.833 93.5 63.1 -56.3 -34.8 12.6 40.1 4.1 129 149 A K H << S+ 0 0 177 -4,-0.9 2,-0.7 -3,-0.7 -1,-0.2 0.849 90.9 70.8 -61.3 -37.8 12.1 39.8 0.3 130 150 A D S X< S- 0 0 85 -3,-0.8 3,-1.5 -4,-0.8 4,-0.4 -0.748 73.2-155.3 -84.6 117.9 10.9 36.2 0.6 131 151 A E G > S+ 0 0 73 -2,-0.7 3,-1.1 1,-0.3 -1,-0.2 0.780 88.5 67.8 -63.3 -28.7 7.4 36.3 2.2 132 152 A K G 3 S+ 0 0 171 1,-0.2 -1,-0.3 -3,-0.1 -4,-0.1 0.668 92.3 61.9 -68.1 -14.4 7.8 32.8 3.5 133 153 A N G X S+ 0 0 48 -3,-1.5 3,-1.5 -6,-0.3 -1,-0.2 0.722 79.4 106.1 -81.7 -23.7 10.5 33.9 5.9 134 154 A H T < S+ 0 0 75 -3,-1.1 25,-0.3 -4,-0.4 27,-0.1 -0.261 92.5 3.5 -58.1 141.8 8.1 36.3 7.7 135 155 A G T 3 S+ 0 0 28 23,-2.3 -1,-0.3 25,-0.4 26,-0.2 0.784 93.8 123.7 51.8 34.4 7.1 35.1 11.1 136 156 A S < + 0 0 40 -3,-1.5 2,-0.4 23,-0.7 24,-0.2 0.405 50.6 78.4-104.9 3.0 9.4 32.0 10.9 137 157 A Y B -h 160 0C 15 22,-1.5 24,-2.1 -4,-0.1 27,-0.4 -0.896 50.9-167.5-115.2 143.6 11.5 32.6 14.1 138 158 A D S S+ 0 0 30 -76,-2.9 2,-0.3 -2,-0.4 -75,-0.2 0.775 80.7 17.8 -92.8 -34.1 10.6 31.9 17.7 139 159 A F E -c 63 0B 3 -77,-1.1 -75,-1.8 2,-0.0 2,-0.4 -1.000 58.3-173.6-143.8 138.8 13.5 33.7 19.2 140 160 A I E -ce 64 166B 0 25,-1.1 27,-3.2 -2,-0.3 2,-0.5 -0.947 8.2-162.4-136.8 116.4 16.0 36.4 18.0 141 161 A F E -ce 65 167B 0 -77,-2.7 -75,-3.0 -2,-0.4 2,-0.6 -0.858 2.4-166.8-101.8 126.0 18.9 37.5 20.0 142 162 A V E +ce 66 168B 0 25,-3.4 27,-2.3 -2,-0.5 -75,-0.2 -0.926 28.4 144.8-115.2 107.0 20.6 40.8 19.1 143 163 A D + 0 0 4 -77,-3.1 -1,-0.1 -2,-0.6 2,-0.1 -0.420 48.6 88.6-135.2 54.3 23.9 41.4 20.8 144 164 A A S S- 0 0 8 25,-0.1 5,-0.1 -77,-0.0 -77,-0.1 -0.048 83.8 -6.5-122.6-136.3 25.8 43.2 18.0 145 165 A D - 0 0 37 1,-0.1 47,-0.0 3,-0.1 -3,-0.0 0.802 53.7-158.6 -24.9 -93.3 26.4 46.8 16.7 146 166 A K S > S+ 0 0 18 49,-0.1 3,-1.3 50,-0.0 4,-0.4 -0.486 87.9 65.9 130.7 -54.2 24.1 49.1 18.8 147 167 A D T 3 S+ 0 0 48 1,-0.2 -2,-0.1 2,-0.1 4,-0.0 0.281 107.1 48.7 -77.6 13.9 24.1 51.9 16.3 148 168 A N T 3> S+ 0 0 33 2,-0.1 4,-2.5 3,-0.1 -1,-0.2 0.348 79.8 95.2-130.2 0.5 22.2 49.3 14.2 149 169 A Y H <> S+ 0 0 4 -3,-1.3 4,-3.2 2,-0.2 5,-0.2 0.921 86.2 50.0 -61.4 -46.8 19.6 48.0 16.6 150 170 A L H > S+ 0 0 32 -4,-0.4 4,-1.5 1,-0.2 -1,-0.2 0.872 112.7 49.4 -59.8 -37.7 16.8 50.3 15.4 151 171 A N H > S+ 0 0 59 2,-0.2 4,-0.8 1,-0.2 -1,-0.2 0.905 110.9 48.2 -68.7 -41.5 17.7 49.2 11.9 152 172 A Y H >X S+ 0 0 6 -4,-2.5 4,-3.8 1,-0.2 3,-1.2 0.956 107.5 57.2 -60.9 -49.9 17.6 45.6 12.8 153 173 A H H 3X S+ 0 0 13 -4,-3.2 4,-2.1 1,-0.3 -1,-0.2 0.840 94.2 66.3 -49.1 -42.2 14.2 46.1 14.5 154 174 A K H 3< S+ 0 0 123 -4,-1.5 -1,-0.3 1,-0.2 -2,-0.2 0.892 121.1 19.4 -49.8 -43.5 12.7 47.5 11.3 155 175 A R H XX S+ 0 0 45 -3,-1.2 3,-1.2 -4,-0.8 4,-1.1 0.726 115.5 66.7-100.4 -26.9 13.0 44.0 9.7 156 176 A L H >X S+ 0 0 0 -4,-3.8 4,-1.8 1,-0.2 3,-0.6 0.891 94.1 64.5 -60.9 -34.1 13.4 41.8 12.7 157 177 A I H 3< S+ 0 0 7 -4,-2.1 -1,-0.2 -5,-0.3 -2,-0.1 0.675 104.3 43.4 -61.7 -24.2 9.8 42.6 13.6 158 178 A D H <4 S+ 0 0 51 -3,-1.2 -23,-2.3 -5,-0.2 -1,-0.3 0.636 113.6 52.0 -94.4 -18.4 8.4 41.0 10.5 159 179 A L H << S+ 0 0 0 -4,-1.1 -22,-1.5 -3,-0.6 -23,-0.7 0.697 93.5 79.4 -88.6 -25.1 10.7 38.0 10.9 160 180 A V B < S-h 137 0C 0 -4,-1.8 -25,-0.4 -25,-0.2 2,-0.2 -0.657 85.3-132.1 -76.0 141.8 9.7 37.3 14.5 161 181 A K > - 0 0 59 -24,-2.1 3,-2.1 -2,-0.3 64,-0.3 -0.602 30.9 -93.9 -92.2 163.1 6.4 35.5 14.4 162 182 A V T 3 S+ 0 0 86 1,-0.3 3,-0.2 -2,-0.2 -1,-0.1 0.775 121.5 75.3 -44.5 -34.2 3.7 36.7 16.7 163 183 A G T 3 S+ 0 0 42 1,-0.2 -1,-0.3 -28,-0.1 2,-0.2 0.952 93.7 177.4 -41.8 -52.5 4.7 34.2 19.3 164 184 A G < + 0 0 0 -3,-2.1 60,-0.2 -27,-0.4 -3,-0.2 -0.527 39.6 150.6 101.4-156.6 7.5 36.7 19.7 165 185 A V + 0 0 2 58,-0.7 -25,-1.1 -2,-0.2 2,-0.4 0.841 11.0 176.2 71.9 110.7 10.6 37.5 21.8 166 186 A I E -eF 140 223B 1 57,-1.1 57,-2.6 -27,-0.2 2,-0.6 -0.987 20.6-146.6-135.1 129.8 13.5 39.5 20.4 167 187 A G E -eF 141 222B 1 -27,-3.2 -25,-3.4 -2,-0.4 2,-0.6 -0.915 9.3-164.5-113.3 122.5 16.2 40.2 22.8 168 188 A Y E -eF 142 221B 0 53,-1.9 53,-2.4 -2,-0.6 3,-0.5 -0.887 19.8-145.4-101.0 122.7 18.2 43.4 22.7 169 189 A D E + F 0 220B 3 -27,-2.3 51,-0.2 -2,-0.6 -25,-0.1 -0.595 69.6 18.9 -93.4 150.6 21.4 43.2 24.8 170 190 A N > + 0 0 31 49,-1.9 3,-1.9 -2,-0.2 -1,-0.2 0.780 68.8 155.1 65.8 32.4 23.3 45.8 26.8 171 191 A T T 3 S+ 0 0 2 48,-1.2 48,-0.2 -3,-0.5 49,-0.1 0.611 74.2 47.7 -62.1 -17.2 20.2 48.0 26.9 172 192 A L T > >S- 0 0 0 46,-2.1 3,-2.1 47,-0.2 5,-0.7 0.290 98.0-148.7-107.4 5.8 21.4 49.6 30.1 173 193 A W G X 5 - 0 0 22 -3,-1.9 3,-1.5 45,-0.3 -2,-0.1 0.712 66.6 -48.5 26.6 57.4 24.8 50.1 28.5 174 194 A N G 3 5S- 0 0 107 1,-0.3 -1,-0.3 44,-0.3 45,-0.1 0.883 98.0 -71.3 61.1 37.2 26.9 49.9 31.7 175 195 A G G X 5S+ 0 0 7 -3,-2.1 3,-2.3 43,-0.2 -1,-0.3 0.333 104.8 126.8 64.0 -12.6 24.6 52.3 33.4 176 196 A S G X 5 + 0 0 7 -3,-1.5 3,-0.8 1,-0.3 -1,-0.2 0.641 53.3 84.5 -52.4 -9.8 26.1 55.1 31.2 177 197 A V G 3 - 0 0 71 0, 0.0 2,-3.7 0, 0.0 3,-2.4 -0.295 34.0-117.9 -58.0 123.1 26.6 62.5 35.3 181 201 A P T 3 S+ 0 0 128 0, 0.0 -2,-0.0 0, 0.0 0, 0.0 -0.257 110.4 40.9 -60.5 61.6 27.1 65.1 32.5 182 202 A D T 3 S+ 0 0 131 -2,-3.7 -3,-0.0 0, 0.0 0, 0.0 0.285 82.8 99.4 170.1 8.4 30.7 65.7 33.6 183 203 A A S < S- 0 0 45 -3,-2.4 -4,-0.0 -4,-0.0 0, 0.0 -0.623 71.5-138.1-113.2 71.6 32.1 62.2 34.4 184 204 A P - 0 0 93 0, 0.0 2,-0.2 0, 0.0 3,-0.1 0.152 22.5-166.8 -32.3 135.6 34.1 61.4 31.2 185 205 A L - 0 0 32 1,-0.2 5,-0.0 -6,-0.0 0, 0.0 -0.725 36.9 -63.0-121.8 169.3 33.6 57.8 30.1 186 206 A R > - 0 0 164 -2,-0.2 4,-2.2 1,-0.1 5,-0.2 -0.185 52.3-112.9 -54.3 146.6 35.5 55.6 27.5 187 207 A K H > S+ 0 0 184 1,-0.2 4,-1.4 2,-0.2 -1,-0.1 0.854 113.0 46.7 -52.3 -40.2 35.3 56.9 24.0 188 208 A Y H > S+ 0 0 116 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.864 110.4 48.9 -77.0 -34.1 33.2 54.0 22.7 189 209 A V H > S+ 0 0 17 -3,-0.2 4,-1.3 1,-0.2 -1,-0.2 0.884 111.0 53.4 -69.7 -33.7 30.6 53.8 25.5 190 210 A R H X S+ 0 0 111 -4,-2.2 4,-0.6 2,-0.2 -1,-0.2 0.880 111.5 47.4 -63.2 -38.0 30.2 57.6 25.0 191 211 A Y H >X S+ 0 0 114 -4,-1.4 3,-0.7 -5,-0.2 4,-0.6 0.961 114.4 41.7 -68.5 -56.8 29.6 56.9 21.3 192 212 A Y H 3X S+ 0 0 64 -4,-2.5 4,-2.6 1,-0.2 -1,-0.2 0.620 98.1 79.1 -69.7 -13.1 27.0 54.0 21.6 193 213 A R H 3X S+ 0 0 49 -4,-1.3 4,-2.5 1,-0.2 5,-0.3 0.901 89.3 52.4 -63.3 -40.5 25.2 55.7 24.5 194 214 A D H < S+ 0 0 42 -4,-2.1 3,-0.8 1,-0.2 4,-0.3 0.940 114.2 48.1 -56.6 -46.0 11.7 53.8 20.2 203 223 A L H >< S+ 0 0 2 -4,-2.7 3,-1.3 1,-0.2 -1,-0.2 0.901 106.9 54.2 -62.4 -44.0 11.2 50.4 21.8 204 224 A A H 3< S+ 0 0 9 -4,-2.9 -1,-0.2 1,-0.2 -2,-0.2 0.695 115.3 42.8 -64.8 -16.5 9.2 51.7 24.8 205 225 A V T << S+ 0 0 112 -4,-1.1 -1,-0.2 -3,-0.8 -2,-0.2 0.302 81.2 117.6-112.4 6.3 6.8 53.3 22.2 206 226 A D X - 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