==== 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 2R7N . 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) . 16817.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 267 75.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 19 5.4 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 . 34 9.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 46 13.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 103 29.0 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 2 2 2 2 0 2 1 1 1 0 0 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 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 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 0 166 0, 0.0 105,-0.2 0, 0.0 104,-0.0 0.000 360.0 360.0 360.0 -43.8 35.4 22.6 19.2 2 2 A I - 0 0 10 103,-1.1 2,-0.2 1,-0.1 115,-0.1 0.101 360.0-142.6 -34.8 122.3 34.1 21.0 16.0 3 3 A S > - 0 0 47 1,-0.1 4,-0.7 103,-0.1 -1,-0.1 -0.515 12.4-136.9 -88.8 157.7 33.3 23.7 13.5 4 4 A K H >> S+ 0 0 80 2,-0.2 4,-3.2 -2,-0.2 3,-1.3 0.951 109.9 49.4 -72.8 -54.5 30.4 23.6 11.0 5 5 A D H 3> S+ 0 0 114 1,-0.3 4,-1.3 2,-0.2 -1,-0.1 0.854 109.1 55.9 -50.2 -36.2 32.5 24.9 8.1 6 6 A E H 34 S+ 0 0 85 2,-0.2 -1,-0.3 1,-0.2 -2,-0.2 0.829 112.0 41.5 -64.9 -33.8 34.9 22.2 9.2 7 7 A I H XX S+ 0 0 0 -3,-1.3 4,-2.1 -4,-0.7 3,-1.1 0.869 109.2 56.6 -84.0 -39.8 32.0 19.6 8.8 8 8 A L H 3X S+ 0 0 37 -4,-3.2 4,-1.1 1,-0.3 -2,-0.2 0.768 106.2 53.3 -60.9 -27.2 30.6 21.1 5.6 9 9 A E H 3X S+ 0 0 133 -4,-1.3 4,-0.6 -5,-0.3 -1,-0.3 0.575 106.7 50.7 -87.1 -13.2 34.1 20.7 4.0 10 10 A I H <4 S+ 0 0 37 -3,-1.1 -2,-0.2 -4,-0.2 -1,-0.2 0.815 110.7 50.1 -81.7 -38.2 34.1 17.0 5.0 11 11 A F H >< S+ 0 0 5 -4,-2.1 3,-1.1 1,-0.2 -2,-0.2 0.794 103.3 60.2 -70.4 -30.3 30.7 16.6 3.4 12 12 A D H 3< S+ 0 0 106 -4,-1.1 -1,-0.2 1,-0.3 4,-0.2 0.886 97.9 56.3 -65.9 -40.5 31.9 18.3 0.2 13 13 A K T 3< S+ 0 0 190 -4,-0.6 2,-0.3 -3,-0.1 -1,-0.3 0.453 93.7 107.6 -68.2 2.2 34.6 15.6 -0.3 14 14 A Y S < S- 0 0 9 -3,-1.1 2,-1.2 1,-0.1 5,-0.1 -0.652 83.6-117.5 -83.9 135.4 31.5 13.3 -0.2 15 15 A N > - 0 0 61 -2,-0.3 3,-2.5 1,-0.2 -2,-0.1 -0.616 26.7-159.3 -64.7 97.9 30.2 11.6 -3.2 16 16 A K T 3 S+ 0 0 86 -2,-1.2 3,-0.3 1,-0.3 -1,-0.2 0.509 86.7 62.1 -65.0 -5.6 26.7 13.3 -3.2 17 17 A D T 3 S+ 0 0 150 1,-0.2 -1,-0.3 0, 0.0 -2,-0.1 0.542 108.9 42.3 -91.1 -10.4 25.3 10.5 -5.3 18 18 A E < + 0 0 118 -3,-2.5 2,-0.2 2,-0.0 -2,-0.2 -0.029 70.0 157.9-131.3 31.7 26.0 7.9 -2.6 19 19 A I - 0 0 14 -3,-0.3 23,-0.5 -5,-0.1 68,-0.2 -0.421 21.5-169.4 -60.1 119.8 25.1 9.4 0.8 20 20 A T E -a 87 0A 13 66,-1.8 68,-2.1 65,-0.4 2,-0.5 -0.528 18.3-124.3 -99.1 174.6 24.6 6.6 3.2 21 21 A I E -ab 88 43A 2 21,-2.0 23,-3.2 66,-0.2 2,-0.3 -0.991 29.7-174.4-123.1 126.6 23.1 6.8 6.7 22 22 A A E +ab 89 44A 0 66,-3.0 68,-2.9 -2,-0.5 2,-0.3 -0.897 14.2 145.6-120.4 153.2 25.0 5.5 9.6 23 23 A T E - b 0 45A 0 21,-1.8 23,-2.8 -2,-0.3 2,-0.4 -0.942 49.1 -77.1-163.9-177.7 24.4 5.0 13.3 24 24 A L E - b 0 46A 0 66,-0.4 2,-2.8 -2,-0.3 5,-0.3 -0.719 44.3-109.8 -97.7 138.1 25.3 2.6 16.1 25 25 A G S S+ 0 0 0 21,-4.2 2,-0.3 -2,-0.4 23,-0.1 -0.354 89.9 53.8 -66.7 75.1 23.6 -0.7 16.4 26 26 A S S > S+ 0 0 12 -2,-2.8 2,-2.0 21,-0.1 3,-1.2 -0.944 81.8 35.0 177.0 170.5 21.6 0.1 19.6 27 27 A H T 3 S- 0 0 52 -2,-0.3 288,-0.1 1,-0.3 -2,-0.1 -0.437 129.9 -12.6 75.6 -76.5 19.2 2.5 21.2 28 28 A T T >> S+ 0 0 1 -2,-2.0 4,-1.1 -4,-0.3 3,-0.8 0.226 99.4 115.5-136.3 11.1 16.9 3.5 18.3 29 29 A S H <> + 0 0 1 -3,-1.2 4,-4.3 -5,-0.3 3,-0.4 0.843 59.5 71.9 -64.1 -40.4 18.8 2.2 15.3 30 30 A L H 3> S+ 0 0 37 1,-0.3 4,-2.5 2,-0.2 -1,-0.2 0.858 111.8 30.9 -41.6 -49.2 16.4 -0.4 14.0 31 31 A H H <> S+ 0 0 3 -3,-0.8 4,-1.2 2,-0.2 -1,-0.3 0.636 116.3 58.3 -89.7 -17.1 14.0 2.2 12.8 32 32 A I H X S+ 0 0 3 -4,-1.1 4,-1.1 -3,-0.4 -2,-0.2 0.904 116.7 36.5 -67.0 -45.6 16.7 4.8 12.1 33 33 A L H X S+ 0 0 0 -4,-4.3 4,-2.4 2,-0.2 3,-0.5 0.957 119.2 47.3 -73.2 -51.5 18.2 2.2 9.7 34 34 A K H X S+ 0 0 101 -4,-2.5 4,-2.1 -5,-0.4 -3,-0.2 0.862 111.0 54.1 -55.9 -36.4 14.9 0.8 8.5 35 35 A G H X S+ 0 0 0 -4,-1.2 4,-0.6 2,-0.2 -1,-0.2 0.820 107.3 50.1 -71.2 -31.5 13.7 4.4 7.9 36 36 A A H ><>S+ 0 0 0 -4,-1.1 5,-1.9 -3,-0.5 3,-1.2 0.949 109.6 50.3 -66.3 -53.4 16.7 5.1 5.8 37 37 A K H ><5S+ 0 0 72 -4,-2.4 3,-1.6 1,-0.3 -2,-0.2 0.895 108.0 53.9 -49.1 -45.3 16.2 2.0 3.7 38 38 A L H 3<5S+ 0 0 95 -4,-2.1 -1,-0.3 1,-0.3 -2,-0.2 0.712 107.5 51.2 -67.7 -21.2 12.5 3.0 3.2 39 39 A E T <<5S- 0 0 17 -3,-1.2 -1,-0.3 -4,-0.6 -2,-0.2 0.393 127.0 -99.1 -97.0 3.2 13.7 6.4 1.9 40 40 A G T < 5S+ 0 0 69 -3,-1.6 -3,-0.2 -4,-0.4 -2,-0.1 0.241 79.4 134.4 102.6 -10.8 16.1 4.8 -0.6 41 41 A F < - 0 0 20 -5,-1.9 2,-0.4 -6,-0.2 -1,-0.3 -0.284 55.3-127.8 -68.4 151.6 19.3 5.2 1.5 42 42 A S - 0 0 54 -23,-0.5 -21,-2.0 19,-0.0 2,-0.4 -0.855 34.5-136.4 -93.2 141.2 21.8 2.5 2.0 43 43 A T E -b 21 0A 0 -2,-0.4 20,-2.5 -23,-0.2 19,-1.4 -0.821 15.7-158.4-115.2 140.0 22.5 2.0 5.7 44 44 A V E -bc 22 63A 1 -23,-3.2 -21,-1.8 -2,-0.4 2,-0.6 -0.948 10.1-166.2-114.8 122.7 25.6 1.6 7.8 45 45 A C E -bc 23 64A 0 18,-2.6 20,-2.2 -2,-0.5 2,-0.6 -0.931 12.9-147.7-110.4 118.1 25.4 0.0 11.2 46 46 A I E +bc 24 65A 0 -23,-2.8 -21,-4.2 -2,-0.6 2,-0.2 -0.741 42.1 147.5 -77.7 122.3 28.3 0.2 13.6 47 47 A T E - c 0 66A 0 18,-1.5 20,-2.5 -2,-0.6 2,-0.3 -0.734 34.2-139.5-140.8-172.8 28.1 -3.0 15.6 48 48 A M E >> - c 0 67A 34 18,-0.2 3,-1.9 -2,-0.2 4,-0.5 -0.972 41.7 -71.9-151.8 163.0 30.2 -5.6 17.4 49 49 A K T 34 S+ 0 0 180 18,-0.6 18,-0.0 -2,-0.3 0, 0.0 -0.319 120.9 18.4 -57.4 137.8 30.3 -9.4 17.9 50 50 A G T 34 S+ 0 0 71 1,-0.1 -1,-0.3 -3,-0.0 -3,-0.0 0.081 121.7 62.2 88.9 -24.6 27.4 -10.5 20.1 51 51 A R T <4 S+ 0 0 88 -3,-1.9 4,-0.2 2,-0.1 -2,-0.2 0.296 85.9 75.5-111.7 9.0 25.4 -7.3 19.6 52 52 A D >X + 0 0 12 -4,-0.5 3,-1.6 1,-0.1 4,-1.1 0.792 65.9 87.9 -95.2 -34.1 24.9 -7.6 15.8 53 53 A V H >> S+ 0 0 55 1,-0.3 4,-3.2 2,-0.2 3,-0.7 0.772 85.0 53.1 -34.2 -52.7 22.2 -10.3 15.4 54 54 A P H 3> S+ 0 0 53 0, 0.0 4,-1.0 0, 0.0 -1,-0.3 0.836 110.7 48.0 -66.5 -28.0 19.2 -8.1 15.6 55 55 A Y H <4>S+ 0 0 21 -3,-1.6 5,-1.3 -4,-0.2 6,-0.8 0.678 115.0 47.8 -79.1 -18.4 20.5 -5.9 12.8 56 56 A K H X<5S+ 0 0 83 -4,-1.1 3,-0.5 -3,-0.7 -3,-0.2 0.876 113.8 43.1 -87.7 -42.0 21.2 -9.0 10.8 57 57 A R H 3<5S+ 0 0 196 -4,-3.2 -2,-0.2 1,-0.2 -1,-0.1 0.715 113.6 52.6 -77.4 -21.4 17.9 -10.7 11.3 58 58 A F T 3<5S- 0 0 133 -4,-1.0 -1,-0.2 -5,-0.3 -2,-0.2 0.552 99.1-140.4 -91.1 -4.5 16.0 -7.5 10.7 59 59 A K T < 5 + 0 0 162 -3,-0.5 -3,-0.2 -4,-0.1 -4,-0.1 0.881 60.6 131.0 56.4 47.1 17.9 -7.0 7.4 60 60 A V < + 0 0 4 -5,-1.3 2,-0.5 1,-0.1 -23,-0.2 0.540 49.4 64.9-114.7 -14.2 18.1 -3.3 8.2 61 61 A A - 0 0 12 -6,-0.8 -17,-0.2 1,-0.1 3,-0.1 -0.961 50.9-171.2-121.8 127.1 21.7 -2.6 7.7 62 62 A D S S+ 0 0 78 -19,-1.4 2,-0.4 -2,-0.5 -18,-0.2 0.905 81.3 26.2 -80.1 -44.8 23.5 -2.9 4.3 63 63 A K E S-c 44 0A 109 -20,-2.5 -18,-2.6 2,-0.0 2,-0.4 -0.979 70.6-154.1-122.3 131.0 27.0 -2.5 5.6 64 64 A F E -c 45 0A 49 -2,-0.4 2,-0.6 -20,-0.2 -18,-0.2 -0.844 3.9-160.7 -96.7 138.6 28.3 -3.3 9.1 65 65 A I E -c 46 0A 4 -20,-2.2 -18,-1.5 -2,-0.4 2,-0.3 -0.905 21.6-154.9-111.3 96.5 31.3 -1.6 10.7 66 66 A Y E -c 47 0A 91 -2,-0.6 2,-0.3 -20,-0.2 -18,-0.2 -0.547 12.0-172.6 -74.3 132.0 32.4 -4.1 13.4 67 67 A V E -c 48 0A 10 -20,-2.5 -18,-0.6 -2,-0.3 3,-0.2 -0.776 32.7-125.5-113.4 165.9 34.3 -2.7 16.4 68 68 A D S S- 0 0 131 1,-0.4 2,-0.3 -2,-0.3 -1,-0.1 0.896 100.8 -0.2 -75.1 -41.5 35.9 -4.7 19.2 69 69 A N S > S- 0 0 95 -22,-0.1 3,-2.6 -21,-0.1 -1,-0.4 -0.979 78.0-114.4-144.2 146.2 33.9 -2.7 21.7 70 70 A F G > S+ 0 0 1 -2,-0.3 3,-1.3 1,-0.3 4,-0.0 0.680 110.9 77.5 -56.8 -14.9 31.4 0.1 21.0 71 71 A S G > S+ 0 0 51 1,-0.2 3,-1.0 2,-0.1 -1,-0.3 0.867 79.3 69.4 -59.8 -35.1 34.0 2.3 22.7 72 72 A D G X + 0 0 26 -3,-2.6 3,-2.4 1,-0.3 6,-0.4 0.586 67.5 95.8 -63.9 -12.5 36.1 2.3 19.6 73 73 A I G < S+ 0 0 0 -3,-1.3 -1,-0.3 1,-0.3 -2,-0.1 0.499 79.2 60.4 -63.8 -0.2 33.7 4.4 17.6 74 74 A K G < S+ 0 0 66 -3,-1.0 -1,-0.3 24,-0.2 -2,-0.2 0.719 82.6 110.3 -90.7 -27.4 35.8 7.4 18.5 75 75 A N S <> S- 0 0 56 -3,-2.4 4,-1.9 -4,-0.2 3,-0.3 -0.030 76.6-127.0 -47.4 145.4 38.8 5.9 16.8 76 76 A E H > S+ 0 0 101 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.833 108.9 65.4 -63.0 -32.2 40.1 7.6 13.6 77 77 A E H > S+ 0 0 119 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.921 106.4 40.8 -54.9 -46.5 39.9 4.2 11.9 78 78 A I H > S+ 0 0 5 -6,-0.4 4,-2.1 -3,-0.3 -1,-0.2 0.880 111.8 54.9 -72.5 -40.0 36.1 4.1 12.3 79 79 A Q H X S+ 0 0 2 -4,-1.9 4,-2.1 2,-0.2 -1,-0.2 0.876 109.3 49.9 -59.4 -37.5 35.7 7.8 11.4 80 80 A E H X S+ 0 0 74 -4,-2.4 4,-2.8 2,-0.2 5,-0.2 0.952 107.8 50.0 -68.7 -51.7 37.5 7.1 8.2 81 81 A K H X S+ 0 0 80 -4,-1.9 4,-0.7 1,-0.2 -1,-0.2 0.903 113.0 50.4 -49.3 -42.0 35.5 4.1 7.1 82 82 A L H <>S+ 0 0 0 -4,-2.1 5,-2.3 1,-0.2 3,-0.5 0.884 111.2 45.6 -68.3 -40.6 32.4 6.3 7.8 83 83 A R H ><5S+ 0 0 32 -4,-2.1 3,-1.2 1,-0.2 -1,-0.2 0.839 110.2 55.5 -68.4 -33.5 33.7 9.2 5.7 84 84 A E H 3<5S+ 0 0 141 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.628 106.3 51.4 -74.7 -14.4 34.7 6.8 2.9 85 85 A L T 3<5S- 0 0 45 -4,-0.7 -65,-0.4 -3,-0.5 -1,-0.3 0.341 111.1-122.5-101.2 3.2 31.1 5.5 2.9 86 86 A N T < 5 + 0 0 15 -3,-1.2 -66,-1.8 1,-0.2 2,-0.4 0.867 52.2 172.4 55.0 39.3 29.7 9.0 2.6 87 87 A S E < -a 20 0A 0 -5,-2.3 2,-0.5 -68,-0.2 -66,-0.2 -0.660 32.1-153.6 -85.8 128.1 27.7 8.4 5.8 88 88 A I E -a 21 0A 0 -68,-2.1 -66,-3.0 -2,-0.4 2,-0.4 -0.871 29.2-132.1 -85.9 131.3 25.8 11.0 7.6 89 89 A V E -ad 22 112A 0 22,-2.8 24,-3.5 -2,-0.5 -66,-0.2 -0.707 11.1-152.3 -91.3 137.1 25.7 9.9 11.2 90 90 A V - 0 0 2 -68,-2.9 -66,-0.4 -2,-0.4 5,-0.1 -0.930 22.4-144.9-109.2 110.3 22.4 9.8 13.2 91 91 A P + 0 0 10 0, 0.0 219,-0.7 0, 0.0 2,-0.3 -0.339 26.4 158.5 -77.1 150.5 23.2 10.2 16.9 92 92 A H B >> -e 310 0B 0 217,-0.1 4,-2.0 -2,-0.1 3,-1.2 -0.990 50.8 -69.3-151.3 167.3 21.5 8.7 19.6 93 93 A G H 3> S+ 0 0 13 217,-0.7 4,-1.2 -2,-0.3 5,-0.1 0.799 125.4 40.1 -0.5 -74.6 21.5 7.6 23.2 94 94 A S H 3> S+ 0 0 22 1,-0.2 4,-1.8 2,-0.2 5,-0.3 0.831 110.6 58.5 -76.0 -20.9 23.8 5.0 22.9 95 95 A F H <> S+ 0 0 0 -3,-1.2 4,-1.7 1,-0.2 5,-0.3 0.919 103.3 50.5 -82.1 -43.8 26.1 6.7 20.5 96 96 A I H X S+ 0 0 20 -4,-2.0 4,-2.3 3,-0.2 -1,-0.2 0.927 112.6 49.1 -57.0 -43.2 26.8 9.6 22.7 97 97 A A H < S+ 0 0 79 -4,-1.2 -2,-0.2 -5,-0.3 -1,-0.2 0.955 115.4 38.2 -65.8 -56.6 27.7 7.2 25.6 98 98 A Y H < S+ 0 0 89 -4,-1.8 -1,-0.2 1,-0.2 -24,-0.2 0.844 123.5 43.6 -65.3 -33.7 30.0 4.8 23.9 99 99 A C H < S- 0 0 0 -4,-1.7 4,-0.2 -5,-0.3 -1,-0.2 0.810 112.2-126.1 -78.2 -30.8 31.6 7.6 21.8 100 100 A G X - 0 0 25 -4,-2.3 4,-1.6 -5,-0.3 -3,-0.2 0.459 13.4-109.0 81.1 131.8 31.8 9.9 24.8 101 101 A L H > S+ 0 0 25 2,-0.2 4,-1.3 1,-0.2 -1,-0.1 0.685 116.5 53.5 -70.4 -22.8 30.2 13.4 24.5 102 102 A D H >>S+ 0 0 96 2,-0.2 4,-1.6 1,-0.2 5,-0.5 0.953 108.6 49.7 -73.3 -51.8 33.5 15.2 24.4 103 103 A N H >>S+ 0 0 47 1,-0.2 5,-1.9 -4,-0.2 4,-1.7 0.841 111.5 51.9 -49.2 -36.8 34.8 13.1 21.6 104 104 A V H <5S+ 0 0 0 -4,-1.6 -1,-0.2 3,-0.2 -2,-0.2 0.862 109.5 47.9 -70.7 -35.5 31.4 13.9 19.9 105 105 A E H <5S- 0 0 5 -4,-1.3 -103,-1.1 -3,-0.4 -2,-0.2 0.700 137.3 -2.0 -83.3 -19.3 31.8 17.6 20.3 106 106 A N H <5S+ 0 0 55 -4,-1.6 -3,-0.2 -105,-0.2 -2,-0.2 0.451 130.0 48.2-150.7 -3.5 35.4 18.0 19.0 107 107 A S T < - 0 0 6 171,-0.3 3,-0.8 169,-0.2 4,-0.4 -0.671 47.8-163.1 -81.6 102.6 22.8 20.3 16.0 116 116 A R G > S+ 0 0 2 -2,-0.9 3,-1.9 1,-0.2 4,-0.3 0.892 85.6 54.8 -49.6 -53.1 26.0 18.9 17.5 117 117 A R G >> S+ 0 0 86 1,-0.3 3,-1.5 2,-0.2 4,-0.6 0.814 97.9 64.5 -52.5 -36.6 26.4 21.6 20.2 118 118 A I G <4 S+ 0 0 1 -3,-0.8 -1,-0.3 1,-0.3 -2,-0.2 0.588 80.8 80.2 -73.3 -9.4 22.9 21.0 21.6 119 119 A L G X> S+ 0 0 5 -3,-1.9 4,-0.8 -4,-0.4 3,-0.5 0.758 91.8 51.8 -68.7 -24.7 23.8 17.4 22.7 120 120 A R H X> S+ 0 0 59 -3,-1.5 4,-1.9 -4,-0.3 3,-0.9 0.913 94.9 66.9 -74.7 -45.9 25.5 18.9 25.8 121 121 A W H 3< S+ 0 0 39 -4,-0.6 -1,-0.2 1,-0.3 10,-0.2 0.456 108.5 43.3 -56.1 3.7 22.5 20.9 26.8 122 122 A E H <4 S+ 0 0 23 -3,-0.5 -1,-0.3 5,-0.1 -2,-0.2 0.598 106.0 58.0-118.4 -28.6 20.9 17.5 27.4 123 123 A S H << S+ 0 0 64 -3,-0.9 2,-0.5 -4,-0.8 -2,-0.2 0.769 102.3 64.6 -70.4 -27.4 23.8 15.8 29.1 124 124 A E X - 0 0 72 -4,-1.9 4,-3.2 1,-0.1 5,-0.2 -0.889 68.1-153.7-111.2 121.8 23.8 18.4 31.8 125 125 A R H > S+ 0 0 86 -2,-0.5 4,-2.2 1,-0.2 5,-0.2 0.771 98.2 55.9 -59.8 -29.4 20.9 18.9 34.2 126 126 A S H > S+ 0 0 94 2,-0.2 4,-2.1 3,-0.2 -1,-0.2 0.941 113.3 39.0 -69.3 -48.0 21.9 22.6 34.7 127 127 A L H > S+ 0 0 34 2,-0.2 4,-3.1 1,-0.2 5,-0.2 0.945 116.8 51.0 -63.4 -50.5 21.7 23.3 30.9 128 128 A E H X S+ 0 0 9 -4,-3.2 4,-2.8 1,-0.2 5,-0.2 0.928 113.1 45.6 -52.9 -49.4 18.7 21.1 30.5 129 129 A G H X S+ 0 0 20 -4,-2.2 4,-2.7 -5,-0.2 -1,-0.2 0.859 111.0 53.6 -64.4 -39.2 16.9 22.9 33.3 130 130 A K H X S+ 0 0 79 -4,-2.1 4,-4.4 2,-0.2 5,-0.4 0.976 111.7 45.3 -56.0 -57.4 18.0 26.3 32.0 131 131 A L H X S+ 0 0 0 -4,-3.1 4,-3.9 2,-0.2 5,-0.2 0.934 116.7 43.1 -53.1 -53.9 16.5 25.5 28.6 132 132 A L H X>S+ 0 0 4 -4,-2.8 5,-3.2 -5,-0.2 4,-0.7 0.896 118.8 46.3 -63.8 -38.2 13.2 24.1 29.9 133 133 A R H ><5S+ 0 0 150 -4,-2.7 3,-0.6 -5,-0.2 -2,-0.2 0.950 118.8 39.7 -66.8 -52.1 13.0 26.9 32.4 134 134 A E H 3<5S+ 0 0 62 -4,-4.4 -2,-0.2 1,-0.2 -3,-0.2 0.869 108.2 61.3 -68.1 -37.3 13.9 29.6 29.9 135 135 A A H 3<5S- 0 0 10 -4,-3.9 -1,-0.2 -5,-0.4 -2,-0.2 0.802 119.2-114.6 -56.4 -26.1 11.8 28.0 27.2 136 136 A G T <<5 + 0 0 45 -4,-0.7 2,-0.3 -3,-0.6 -3,-0.2 0.758 63.3 151.8 94.4 31.5 8.9 28.6 29.6 137 137 A L < - 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