==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=4-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LIGASE 09-SEP-07 2R7L . COMPND 2 MOLECULE: 5-FORMAMINOIMIDAZOLE-4-CARBOXAMIDE-1-(BETA)-D- . SOURCE 2 ORGANISM_SCIENTIFIC: METHANOCALDOCOCCUS JANNASCHII; . AUTHOR Y.ZHANG,R.H.WHITE,S.E.EALICK . 355 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17181.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 261 73.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 18 5.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 50 14.1 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.3 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 . 33 9.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 48 13.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 98 27.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 2.3 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 3 1 2 1 1 1 1 0 1 0 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 0 1 2 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 PARALLEL BRIDGES PER LADDER . 1 1 1 1 0 1 2 0 1 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 2 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 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 0 157 0, 0.0 105,-0.2 0, 0.0 104,-0.0 0.000 360.0 360.0 360.0 -51.6 35.8 22.9 19.2 2 2 A I - 0 0 10 103,-0.6 2,-0.1 1,-0.1 105,-0.1 0.055 360.0-140.3 -36.3 121.8 34.7 21.2 15.9 3 3 A S > - 0 0 44 1,-0.1 4,-0.9 353,-0.1 -1,-0.1 -0.392 16.9-125.7 -85.9 162.4 33.6 23.9 13.5 4 4 A K H > S+ 0 0 83 2,-0.2 4,-3.0 1,-0.2 5,-0.2 0.803 116.3 53.6 -71.8 -31.1 30.6 23.8 11.1 5 5 A D H > S+ 0 0 97 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.881 102.7 55.4 -70.7 -39.8 33.2 24.7 8.4 6 6 A E H 4 S+ 0 0 93 1,-0.2 -1,-0.2 2,-0.2 4,-0.2 0.844 115.4 41.0 -56.9 -33.9 35.4 21.7 9.4 7 7 A I H >X S+ 0 0 0 -4,-0.9 4,-2.4 2,-0.2 3,-0.9 0.915 112.5 50.4 -84.5 -46.2 32.3 19.6 8.9 8 8 A L H 3X S+ 0 0 35 -4,-3.0 4,-1.8 1,-0.3 -2,-0.2 0.864 111.8 50.5 -58.2 -37.2 30.9 21.2 5.7 9 9 A E H 3< S+ 0 0 123 -4,-2.3 -1,-0.3 2,-0.2 -2,-0.2 0.601 109.0 51.4 -79.7 -13.1 34.3 20.9 4.1 10 10 A I H X4 S+ 0 0 39 -3,-0.9 3,-0.7 -4,-0.2 -2,-0.2 0.832 113.8 44.0 -81.4 -39.9 34.4 17.2 5.1 11 11 A F H >< S+ 0 0 6 -4,-2.4 3,-1.7 1,-0.2 -2,-0.2 0.768 102.8 66.6 -74.3 -28.4 31.0 16.7 3.5 12 12 A D T 3< S+ 0 0 107 -4,-1.8 -1,-0.2 1,-0.3 -3,-0.1 0.698 99.4 52.4 -66.1 -19.6 32.1 18.8 0.4 13 13 A K T < S+ 0 0 182 -3,-0.7 -1,-0.3 -4,-0.2 2,-0.2 0.291 90.4 109.4 -98.2 6.8 34.5 16.0 -0.4 14 14 A Y S < S- 0 0 13 -3,-1.7 2,-1.2 1,-0.1 5,-0.1 -0.541 83.5-109.2 -79.6 146.6 31.8 13.4 -0.2 15 15 A N > - 0 0 64 -2,-0.2 3,-2.4 1,-0.2 -2,-0.1 -0.692 31.4-157.7 -70.5 99.0 30.4 11.6 -3.2 16 16 A K T 3 S+ 0 0 91 -2,-1.2 3,-0.3 1,-0.3 -1,-0.2 0.487 86.7 59.7 -64.1 -2.9 27.0 13.4 -3.3 17 17 A D T 3 S+ 0 0 151 1,-0.2 -1,-0.3 0, 0.0 -2,-0.0 0.475 108.3 44.0-100.0 -7.2 25.5 10.5 -5.3 18 18 A E S < S+ 0 0 113 -3,-2.4 2,-0.3 2,-0.1 -2,-0.2 -0.110 71.5 157.0-132.3 36.1 26.3 7.9 -2.6 19 19 A I - 0 0 14 -3,-0.3 23,-0.4 -5,-0.1 2,-0.2 -0.492 21.2-169.8 -66.9 123.4 25.4 9.5 0.7 20 20 A T E -a 87 0A 14 66,-1.5 68,-2.4 -2,-0.3 2,-0.5 -0.688 19.3-125.1-108.4 167.1 24.7 6.8 3.3 21 21 A I E -ab 88 43A 1 21,-1.8 23,-2.5 -2,-0.2 2,-0.3 -0.967 30.5-175.6-115.0 126.5 23.2 7.0 6.7 22 22 A A E +ab 89 44A 0 66,-2.2 68,-3.0 -2,-0.5 2,-0.3 -0.878 12.5 152.5-122.1 155.9 25.2 5.6 9.6 23 23 A T E - b 0 45A 1 21,-1.6 23,-2.0 -2,-0.3 2,-0.3 -0.959 47.6 -85.4-165.9 165.8 24.6 5.1 13.4 24 24 A L E - b 0 46A 0 66,-0.4 2,-2.2 -2,-0.3 4,-0.3 -0.652 47.7-108.2 -82.4 141.0 25.7 2.8 16.2 25 25 A G S S+ 0 0 2 21,-3.3 2,-0.3 -2,-0.3 23,-0.1 -0.410 87.4 57.8 -73.5 77.0 23.8 -0.5 16.5 26 26 A S S > S+ 0 0 15 -2,-2.2 2,-2.0 21,-0.0 3,-1.9 -0.966 79.8 36.1-176.5 177.8 21.9 0.3 19.7 27 27 A H T 3 S- 0 0 54 -2,-0.3 288,-0.1 1,-0.3 -2,-0.1 -0.376 132.0 -13.9 67.9 -79.3 19.4 2.6 21.4 28 28 A T T >> S+ 0 0 1 -2,-2.0 4,-1.5 -4,-0.3 3,-0.8 0.137 97.9 118.6-138.8 15.3 17.1 3.5 18.5 29 29 A S H <> + 0 0 1 -3,-1.9 4,-3.5 1,-0.2 5,-0.4 0.817 61.1 72.4 -62.4 -32.9 19.2 2.3 15.5 30 30 A L H 3> S+ 0 0 38 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.880 110.3 29.5 -52.2 -44.9 16.6 -0.3 14.3 31 31 A H H <> S+ 0 0 1 -3,-0.8 4,-2.4 2,-0.2 -1,-0.2 0.697 115.8 60.9 -90.9 -19.9 14.2 2.4 13.0 32 32 A I H X S+ 0 0 3 -4,-1.5 4,-1.2 2,-0.2 -2,-0.2 0.917 115.4 35.3 -62.9 -44.0 17.0 4.8 12.2 33 33 A L H X S+ 0 0 0 -4,-3.5 4,-2.5 2,-0.2 -2,-0.2 0.929 119.6 48.7 -77.6 -47.3 18.3 2.3 9.8 34 34 A K H X S+ 0 0 102 -4,-2.1 4,-2.7 -5,-0.4 5,-0.2 0.938 111.3 50.9 -54.4 -49.9 14.9 0.9 8.7 35 35 A G H X S+ 0 0 0 -4,-2.4 4,-1.0 1,-0.2 -1,-0.2 0.870 109.9 51.0 -57.3 -39.1 13.7 4.5 8.1 36 36 A A H ><>S+ 0 0 0 -4,-1.2 5,-2.4 2,-0.2 3,-0.6 0.930 109.9 47.9 -63.5 -49.7 16.8 5.2 6.0 37 37 A K H ><5S+ 0 0 79 -4,-2.5 3,-1.7 1,-0.2 -2,-0.2 0.920 108.8 55.2 -55.6 -45.4 16.3 2.1 3.8 38 38 A L H 3<5S+ 0 0 100 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.742 107.4 50.5 -63.2 -24.5 12.7 3.1 3.3 39 39 A E T <<5S- 0 0 16 -4,-1.0 -1,-0.3 -3,-0.6 -2,-0.2 0.436 127.5 -98.4 -93.5 -1.6 13.8 6.5 2.1 40 40 A G T < 5S+ 0 0 69 -3,-1.7 -3,-0.2 -4,-0.4 2,-0.1 0.431 77.7 134.3 105.7 1.1 16.3 4.9 -0.4 41 41 A F < - 0 0 21 -5,-2.4 2,-0.4 -6,-0.2 -1,-0.3 -0.469 55.0-128.0 -80.1 150.3 19.5 5.2 1.5 42 42 A S - 0 0 56 -23,-0.4 -21,-1.8 -2,-0.1 2,-0.4 -0.798 37.1-139.6 -86.5 144.5 22.1 2.5 1.9 43 43 A T E -b 21 0A 0 -2,-0.4 20,-2.3 -23,-0.2 19,-1.2 -0.864 15.8-155.4-119.6 145.0 22.8 2.2 5.6 44 44 A V E -bc 22 63A 2 -23,-2.5 -21,-1.6 -2,-0.4 2,-0.5 -0.959 10.6-167.4-117.0 129.1 25.9 1.6 7.8 45 45 A C E -bc 23 64A 0 18,-2.6 20,-1.7 -2,-0.4 2,-0.5 -0.948 14.0-146.0-120.0 115.7 25.7 0.0 11.3 46 46 A I E +bc 24 65A 3 -23,-2.0 -21,-3.3 -2,-0.5 2,-0.2 -0.676 42.0 148.4 -74.5 123.6 28.6 0.1 13.7 47 47 A T E - c 0 66A 0 18,-1.6 20,-2.3 -2,-0.5 2,-0.3 -0.725 32.0-143.8-143.0-172.0 28.4 -3.2 15.7 48 48 A M > - 0 0 34 18,-0.2 3,-1.9 -2,-0.2 4,-0.3 -0.979 39.8 -72.6-157.7 162.1 30.4 -5.9 17.4 49 49 A K T 3 S+ 0 0 183 18,-0.4 18,-0.0 -2,-0.3 0, 0.0 -0.358 119.2 23.6 -60.3 138.0 30.5 -9.6 18.0 50 50 A G T 3 S+ 0 0 76 -2,-0.0 -1,-0.2 1,-0.0 -3,-0.0 0.095 122.1 57.2 92.8 -22.2 27.8 -10.7 20.4 51 51 A R S < S+ 0 0 95 -3,-1.9 4,-0.2 2,-0.1 -2,-0.2 0.149 82.7 80.7-125.2 17.9 25.6 -7.6 19.7 52 52 A D >> + 0 0 15 -4,-0.3 4,-1.5 1,-0.1 3,-0.6 0.654 63.7 89.2-102.2 -18.7 25.1 -7.9 15.9 53 53 A V H 3> S+ 0 0 53 1,-0.2 4,-3.0 2,-0.2 5,-0.3 0.836 84.4 52.8 -51.2 -45.2 22.3 -10.5 15.6 54 54 A P H 3> S+ 0 0 53 0, 0.0 4,-1.6 0, 0.0 -1,-0.2 0.889 112.1 46.4 -62.2 -36.4 19.3 -8.1 15.8 55 55 A Y H <4>S+ 0 0 23 -3,-0.6 5,-1.3 -4,-0.2 6,-0.8 0.727 115.6 46.6 -77.6 -23.1 20.7 -5.9 13.0 56 56 A K H <5S+ 0 0 81 -4,-1.5 3,-0.5 -3,-0.2 -1,-0.2 0.897 115.4 42.8 -83.2 -45.2 21.4 -9.0 10.9 57 57 A R H <5S+ 0 0 196 -4,-3.0 -2,-0.2 1,-0.2 -1,-0.1 0.768 112.9 51.8 -77.3 -25.3 18.1 -10.8 11.3 58 58 A F T <5S- 0 0 141 -4,-1.6 -1,-0.2 -5,-0.3 -2,-0.2 0.573 101.8-139.5 -85.9 -8.5 16.1 -7.6 10.9 59 59 A K T 5 + 0 0 160 -3,-0.5 -3,-0.2 -4,-0.1 -4,-0.1 0.852 58.9 133.1 62.4 42.9 18.0 -7.0 7.7 60 60 A V < + 0 0 6 -5,-1.3 2,-0.4 -6,-0.1 -23,-0.2 0.538 48.1 66.4-109.6 -11.4 18.3 -3.4 8.3 61 61 A A - 0 0 13 -6,-0.8 -17,-0.1 1,-0.1 3,-0.1 -0.950 49.8-170.3-121.9 132.6 21.9 -2.6 7.7 62 62 A D S S+ 0 0 73 -19,-1.2 2,-0.4 -2,-0.4 -18,-0.2 0.875 80.9 28.8 -84.0 -41.8 23.7 -2.8 4.3 63 63 A K E -c 44 0A 98 -20,-2.3 -18,-2.6 2,-0.0 2,-0.5 -0.977 69.9-154.3-123.1 133.7 27.2 -2.4 5.6 64 64 A F E -c 45 0A 48 -2,-0.4 2,-0.6 -20,-0.2 -18,-0.2 -0.915 3.6-164.5-104.2 132.0 28.6 -3.4 9.0 65 65 A I E -c 46 0A 3 -20,-1.7 -18,-1.6 -2,-0.5 2,-0.3 -0.918 19.9-154.2-108.1 100.2 31.6 -1.8 10.6 66 66 A Y E -c 47 0A 91 -2,-0.6 2,-0.3 -20,-0.2 -18,-0.2 -0.548 11.8-171.7 -75.9 135.8 32.7 -4.1 13.4 67 67 A V - 0 0 13 -20,-2.3 -18,-0.4 -2,-0.3 3,-0.2 -0.881 32.1-125.1-120.5 158.3 34.6 -2.7 16.4 68 68 A D S S- 0 0 136 1,-0.3 2,-0.3 -2,-0.3 -1,-0.1 0.916 98.7 -3.8 -66.6 -43.1 36.3 -4.6 19.3 69 69 A N S > S- 0 0 97 -21,-0.1 3,-2.9 -3,-0.1 -1,-0.3 -0.975 77.2-111.2-146.8 148.5 34.2 -2.6 21.8 70 70 A F G > S+ 0 0 3 -2,-0.3 3,-1.2 1,-0.3 4,-0.1 0.669 112.9 73.9 -58.3 -14.5 31.8 0.2 21.2 71 71 A S G > S+ 0 0 57 1,-0.2 3,-1.0 2,-0.1 -1,-0.3 0.779 83.1 69.1 -67.8 -23.8 34.3 2.5 22.9 72 72 A D G X + 0 0 34 -3,-2.9 3,-2.4 1,-0.2 6,-0.3 0.637 69.8 91.7 -69.6 -15.4 36.4 2.2 19.7 73 73 A I G < S+ 0 0 0 -3,-1.2 -1,-0.2 1,-0.3 -2,-0.1 0.596 81.8 58.6 -62.7 -9.0 33.9 4.3 17.6 74 74 A K G < S+ 0 0 63 -3,-1.0 -1,-0.3 24,-0.2 -2,-0.2 0.723 82.5 113.8 -84.7 -25.1 35.9 7.4 18.6 75 75 A N S X> S- 0 0 58 -3,-2.4 4,-1.7 -4,-0.2 3,-0.8 -0.082 76.1-126.2 -50.5 143.8 39.1 5.9 17.0 76 76 A E H 3> S+ 0 0 101 1,-0.3 4,-1.3 2,-0.2 -1,-0.1 0.760 109.1 64.2 -66.3 -24.7 40.4 7.7 14.0 77 77 A E H 3> S+ 0 0 124 2,-0.2 4,-1.5 1,-0.2 -1,-0.3 0.871 105.6 43.7 -63.0 -38.1 40.3 4.4 12.1 78 78 A I H <> S+ 0 0 5 -3,-0.8 4,-1.9 -6,-0.3 -2,-0.2 0.866 108.3 56.3 -78.5 -38.5 36.5 4.3 12.4 79 79 A Q H X S+ 0 0 4 -4,-1.7 4,-1.4 1,-0.2 -1,-0.2 0.824 107.0 53.3 -60.3 -31.4 35.9 7.9 11.5 80 80 A E H X S+ 0 0 72 -4,-1.3 4,-2.4 2,-0.2 5,-0.2 0.937 105.5 49.5 -72.1 -49.6 37.8 7.2 8.3 81 81 A K H X S+ 0 0 71 -4,-1.5 4,-1.0 1,-0.2 -2,-0.2 0.907 112.0 51.1 -52.4 -43.8 35.7 4.3 7.2 82 82 A L H <>S+ 0 0 0 -4,-1.9 5,-2.4 1,-0.2 -1,-0.2 0.852 111.3 47.2 -64.7 -35.8 32.6 6.4 7.8 83 83 A R H ><5S+ 0 0 31 -4,-1.4 3,-0.9 1,-0.2 -1,-0.2 0.833 110.2 52.1 -74.1 -32.9 34.0 9.2 5.8 84 84 A E H 3<5S+ 0 0 137 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.649 107.9 53.0 -76.9 -16.3 35.0 6.9 2.9 85 85 A L T 3<5S- 0 0 48 -4,-1.0 -65,-0.3 -5,-0.2 -1,-0.2 0.375 111.8-121.8 -97.0 1.0 31.4 5.5 2.9 86 86 A N T < 5 + 0 0 18 -3,-0.9 -66,-1.5 1,-0.2 2,-0.3 0.810 51.5 174.4 60.8 33.9 30.0 9.1 2.6 87 87 A S E < -a 20 0A 0 -5,-2.4 2,-0.6 -68,-0.2 -66,-0.2 -0.534 32.2-156.9 -79.4 130.8 28.0 8.5 5.9 88 88 A I E -a 21 0A 0 -68,-2.4 -66,-2.2 -2,-0.3 2,-0.3 -0.953 29.1-135.7 -93.8 119.8 26.0 11.2 7.7 89 89 A V E -ad 22 112A 3 22,-2.7 24,-2.8 -2,-0.6 -66,-0.2 -0.621 7.9-149.4 -81.7 131.8 25.9 9.9 11.3 90 90 A V - 0 0 2 -68,-3.0 -66,-0.4 -2,-0.3 2,-0.1 -0.904 23.2-141.6 -98.6 114.3 22.6 10.0 13.2 91 91 A P + 0 0 8 0, 0.0 219,-0.6 0, 0.0 2,-0.3 -0.437 27.6 163.4 -80.4 149.9 23.4 10.5 16.9 92 92 A H B >> -e 310 0B 0 -2,-0.1 4,-2.5 217,-0.1 3,-0.7 -0.957 50.3 -79.6-153.7 173.7 21.7 8.8 19.8 93 93 A G H 3> S+ 0 0 16 217,-0.6 4,-1.9 -2,-0.3 5,-0.1 0.842 124.3 42.2 -41.2 -58.2 21.9 8.0 23.5 94 94 A S H 3> S+ 0 0 27 1,-0.2 4,-2.6 2,-0.2 -1,-0.3 0.792 114.2 53.7 -65.4 -31.0 24.2 5.0 23.3 95 95 A F H <> S+ 0 0 1 -3,-0.7 4,-2.4 2,-0.2 5,-0.4 0.940 108.9 46.0 -70.5 -49.7 26.4 6.6 20.6 96 96 A I H X S+ 0 0 13 -4,-2.5 4,-2.1 1,-0.2 -2,-0.2 0.888 117.1 47.5 -59.5 -38.4 27.1 9.8 22.6 97 97 A A H < S+ 0 0 77 -4,-1.9 -2,-0.2 -5,-0.3 -1,-0.2 0.952 115.9 40.1 -67.8 -53.1 27.8 7.6 25.7 98 98 A Y H < S+ 0 0 87 -4,-2.6 -24,-0.2 1,-0.2 -2,-0.2 0.812 122.2 42.5 -69.9 -31.6 30.1 5.0 24.0 99 99 A C H < S- 0 0 2 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.892 115.8-114.3 -78.8 -42.6 31.9 7.6 21.9 100 100 A G X - 0 0 23 -4,-2.1 4,-2.4 -5,-0.4 5,-0.2 0.395 8.8-117.5 104.7 118.7 32.2 10.2 24.7 101 101 A L H > S+ 0 0 32 1,-0.2 4,-1.4 2,-0.2 -4,-0.1 0.784 117.1 49.5 -56.7 -29.7 30.4 13.6 24.7 102 102 A D H > S+ 0 0 95 2,-0.2 4,-1.4 1,-0.2 5,-0.2 0.934 110.7 48.4 -75.3 -46.7 33.7 15.4 24.7 103 103 A N H >>S+ 0 0 52 1,-0.2 4,-1.9 2,-0.2 5,-1.2 0.818 111.4 53.7 -55.4 -32.8 35.1 13.3 21.9 104 104 A V H <5S+ 0 0 0 -4,-2.4 -1,-0.2 3,-0.2 -2,-0.2 0.863 107.3 49.7 -71.3 -36.1 31.8 14.0 20.1 105 105 A E H <5S- 0 0 3 -4,-1.4 -103,-0.6 -5,-0.2 -2,-0.2 0.758 136.2 -1.5 -78.1 -25.2 32.1 17.8 20.5 106 106 A N H <5S+ 0 0 60 -4,-1.4 -2,-0.2 -105,-0.2 -3,-0.2 0.307 129.1 49.2-153.0 13.2 35.7 18.1 19.1 107 107 A S T <5S+ 0 0 50 -4,-1.9 2,-1.0 -5,-0.2 -3,-0.2 0.476 84.4 86.7-130.3 -12.0 37.3 14.7 18.2 108 108 A F < - 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0 0 77 -4,-1.4 4,-2.4 1,-0.1 3,-0.3 -0.859 68.1-150.7-105.7 121.1 24.1 19.1 32.1 125 125 A R H > S+ 0 0 93 -2,-0.6 4,-2.2 1,-0.2 5,-0.2 0.803 97.1 53.3 -56.0 -35.7 21.2 19.5 34.5 126 126 A S H > S+ 0 0 91 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.896 110.5 45.1 -69.2 -43.2 21.9 23.3 34.9 127 127 A L H > S+ 0 0 32 -3,-0.3 4,-3.1 2,-0.2 -2,-0.2 0.930 113.9 50.2 -64.2 -46.4 21.8 24.0 31.1 128 128 A E H X S+ 0 0 11 -4,-2.4 4,-2.8 2,-0.2 5,-0.2 0.929 113.4 44.7 -57.5 -49.4 18.7 21.8 30.7 129 129 A G H X S+ 0 0 21 -4,-2.2 4,-2.7 2,-0.2 5,-0.3 0.866 112.0 53.3 -65.5 -37.4 16.9 23.6 33.5 130 130 A K H X S+ 0 0 76 -4,-2.1 4,-3.0 2,-0.2 5,-0.3 0.956 112.0 45.6 -58.5 -51.5 18.1 27.0 32.2 131 131 A L H X S+ 0 0 0 -4,-3.1 4,-2.7 2,-0.2 -2,-0.2 0.943 117.2 42.1 -56.8 -53.1 16.6 26.1 28.8 132 132 A L H X>S+ 0 0 6 -4,-2.8 5,-3.2 2,-0.2 4,-0.7 0.869 116.9 48.0 -66.6 -39.5 13.3 24.8 30.1 133 133 A R H ><5S+ 0 0 161 -4,-2.7 3,-0.6 -5,-0.2 -1,-0.2 0.941 115.9 43.8 -64.7 -49.0 12.9 27.6 32.6 134 134 A E H 3<5S+ 0 0 66 -4,-3.0 -2,-0.2 -5,-0.3 -1,-0.2 0.838 109.0 56.7 -68.1 -33.5 13.8 30.3 30.0 135 135 A A H 3<5S- 0 0 10 -4,-2.7 -1,-0.3 -5,-0.3 -2,-0.2 0.730 118.8-115.6 -66.3 -21.7 11.5 28.6 27.4 136 136 A G T <<5 + 0 0 47 -4,-0.7 2,-0.4 -3,-0.6 -3,-0.2 0.807 60.8 153.5 90.3 33.8 8.8 29.0 30.0 137 137 A L < - 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0 0 8 -2,-0.2 3,-2.0 -4,-0.1 4,-0.2 -0.674 18.6-119.3 -90.2 146.7 14.8 9.5 22.6 312 317 A G G > S+ 0 0 19 -2,-0.3 3,-1.6 1,-0.3 4,-0.1 0.710 104.7 74.6 -56.6 -24.6 14.6 5.8 23.1 313 318 A G G > S+ 0 0 0 1,-0.3 3,-1.8 2,-0.2 -1,-0.3 0.594 72.0 82.2 -69.5 -11.9 10.9 5.8 23.4 314 319 A T G X S+ 0 0 0 -3,-2.0 3,-1.3 1,-0.3 20,-0.3 0.672 74.4 78.7 -64.1 -16.2 10.5 6.3 19.6 315 320 A N G X S+ 0 0 47 -3,-1.6 3,-1.1 1,-0.2 -1,-0.3 0.760 76.7 71.8 -62.8 -23.4 10.9 2.6 19.5 316 321 A S G < S+ 0 0 31 -3,-1.8 -1,-0.2 1,-0.3 3,-0.2 0.759 104.8 38.7 -66.3 -24.6 7.3 2.2 20.5 317 322 A F G X + 0 0 9 -3,-1.3 3,-1.5 -4,-0.2 -1,-0.3 -0.321 67.0 132.6-119.8 52.0 6.2 3.4 17.0 318 323 A M T < S+ 0 0 81 -3,-1.1 15,-0.2 1,-0.3 -1,-0.1 0.764 84.4 45.7 -69.3 -22.8 8.7 1.8 14.7 319 324 A N T 3 S- 0 0 128 1,-0.4 -1,-0.3 -3,-0.2 13,-0.2 -0.003 131.5 -93.2-102.9 24.8 5.7 0.8 12.5 320 325 A G < - 0 0 11 -3,-1.5 -1,-0.4 11,-0.3 13,-0.2 0.012 43.7-128.8 82.7 166.3 4.3 4.3 12.8 321 326 A G > - 0 0 15 11,-0.5 4,-2.1 -103,-0.2 11,-0.2 -0.818 33.0 -80.9-140.3-178.8 1.8 5.5 15.4 322 327 A P H > S+ 0 0 83 0, 0.0 4,-0.5 0, 0.0 -103,-0.1 0.846 127.3 38.4 -53.1 -42.8 -1.5 7.4 15.8 323 328 A Y H >> S+ 0 0 28 -105,-0.2 3,-0.9 2,-0.2 4,-0.5 0.906 114.1 51.9 -77.3 -42.4 0.1 10.8 15.4 324 329 A S H >> S+ 0 0 1 -106,-0.7 3,-0.6 1,-0.3 4,-0.5 0.831 104.0 60.3 -67.9 -30.0 2.7 10.0 12.7 325 330 A F H 3X S+ 0 0 112 -4,-2.1 4,-2.9 1,-0.2 5,-0.4 0.812 90.0 72.5 -58.5 -35.2 -0.0 8.4 10.5 326 331 A L H << S+ 0 0 127 -3,-0.9 -1,-0.2 -4,-0.5 -2,-0.2 0.813 86.6 60.6 -61.4 -35.1 -1.9 11.7 10.3 327 332 A Y H << S- 0 0 83 -3,-0.6 -1,-0.2 -4,-0.5 -2,-0.1 0.927 135.3 -13.2 -58.1 -52.0 0.5 13.6 8.0 328 333 A N H < S- 0 0 121 -4,-0.5 -2,-0.2 -3,-0.4 -1,-0.2 0.185 92.7-101.9-139.7 14.7 0.2 11.2 5.0 329 334 A G S < S+ 0 0 32 -4,-2.9 -4,-0.2 1,-0.2 -3,-0.2 0.825 79.8 136.0 61.6 33.6 -1.5 8.0 6.3 330 335 A E S S- 0 0 111 -5,-0.4 2,-2.3 -6,-0.4 -1,-0.2 -0.789 71.8-111.8-112.6 153.2 1.8 6.3 6.4 331 336 A P + 0 0 78 0, 0.0 2,-0.5 0, 0.0 -11,-0.3 -0.419 55.6 177.4 -74.3 64.5 3.5 4.0 9.0 332 337 A L - 0 0 7 -2,-2.3 -11,-0.5 -11,-0.2 2,-0.2 -0.627 12.9-168.7 -84.7 119.3 6.0 6.8 9.7 333 338 A S > - 0 0 4 -2,-0.5 4,-1.7 -15,-0.2 -15,-0.1 -0.536 36.5-110.7 -92.3 167.3 8.7 6.2 12.4 334 339 A M H > S+ 0 0 1 -20,-0.3 4,-2.2 1,-0.2 5,-0.2 0.912 119.3 57.8 -61.9 -43.4 11.0 8.9 13.8 335 340 A G H > S+ 0 0 2 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.870 108.1 45.7 -52.9 -40.7 13.9 7.1 12.1 336 341 A Q H > S+ 0 0 21 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.824 109.2 55.3 -74.0 -33.5 12.2 7.6 8.7 337 342 A R H X S+ 0 0 9 -4,-1.7 4,-1.5 2,-0.2 -2,-0.2 0.846 108.7 48.5 -65.1 -37.1 11.3 11.2 9.4 338 343 A I H X S+ 0 0 1 -4,-2.2 4,-2.0 2,-0.2 3,-0.3 0.967 111.5 49.5 -63.7 -52.5 15.0 11.9 10.1 339 344 A A H X S+ 0 0 1 -4,-2.0 4,-3.0 1,-0.2 -2,-0.2 0.850 108.5 53.7 -55.3 -39.8 16.0 10.1 6.8 340 345 A R H X S+ 0 0 63 -4,-2.1 4,-3.3 2,-0.2 5,-0.3 0.901 105.7 51.5 -64.6 -43.2 13.5 12.1 4.9 341 346 A E H X S+ 0 0 1 -4,-1.5 4,-2.1 -3,-0.3 -1,-0.2 0.902 112.1 48.3 -61.3 -39.4 14.8 15.4 6.2 342 347 A I H X S+ 0 0 0 -4,-2.0 4,-2.6 2,-0.2 -2,-0.2 0.957 112.3 48.7 -63.6 -48.6 18.3 14.2 5.0 343 348 A K H X S+ 0 0 73 -4,-3.0 4,-2.2 1,-0.2 -2,-0.2 0.965 114.5 44.6 -51.9 -60.2 16.8 13.2 1.6 344 349 A M H X S+ 0 0 66 -4,-3.3 4,-1.5 1,-0.2 -1,-0.2 0.810 111.4 53.6 -55.7 -37.1 15.1 16.6 1.1 345 350 A A H X>S+ 0 0 0 -4,-2.1 5,-2.3 -5,-0.3 4,-0.7 0.945 109.4 47.6 -66.6 -48.2 18.1 18.5 2.3 346 351 A L H ><5S+ 0 0 50 -4,-2.6 3,-0.6 1,-0.2 -2,-0.2 0.890 113.4 49.2 -55.0 -43.2 20.3 16.8 -0.2 347 352 A Q H 3<5S+ 0 0 144 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.770 116.0 41.2 -69.4 -29.2 17.8 17.4 -3.0 348 353 A L H 3<5S- 0 0 89 -4,-1.5 -1,-0.2 -3,-0.3 -2,-0.2 0.387 111.1-117.1-100.7 2.3 17.4 21.1 -2.2 349 354 A D T <<5S+ 0 0 149 -4,-0.7 -3,-0.2 -3,-0.6 -4,-0.1 0.976 80.1 120.6 57.9 58.1 21.1 21.7 -1.6 350 355 A M > < + 0 0 65 -5,-2.3 3,-2.1 -6,-0.1 4,-0.3 -0.134 13.3 133.4-141.4 34.7 20.5 22.6 2.1 351 356 A I G >> + 0 0 16 -6,-0.3 4,-1.4 1,-0.3 3,-1.0 0.728 68.7 69.0 -61.5 -18.2 22.7 20.0 3.8 352 357 A D G 34 S+ 0 0 75 1,-0.2 -1,-0.3 2,-0.2 -344,-0.1 0.629 89.0 61.8 -78.4 -13.6 24.0 23.0 5.9 353 358 A K G <4 S+ 0 0 96 -3,-2.1 -1,-0.2 1,-0.1 -2,-0.2 0.588 116.7 27.8 -83.3 -9.3 20.6 23.4 7.6 354 359 A I T <4 S+ 0 0 2 -3,-1.0 -240,-2.8 -4,-0.3 2,-0.3 0.525 107.2 67.7-133.3 -12.1 20.8 19.9 9.1 355 360 A I B < F 113 0C 3 -4,-1.4 -242,-0.2 -242,-0.2 -347,-0.1 -0.815 360.0 360.0-116.7 159.6 24.4 18.8 9.7 356 361 A S 0 0 18 -244,-1.5 -244,-1.2 -2,-0.3 -352,-0.1 -0.950 360.0 360.0-171.2 360.0 27.2 19.9 11.9