==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-JAN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LYASE 04-NOV-10 2XWQ . COMPND 2 MOLECULE: SIROHYDROCHLORIN COBALTOCHELATASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ARCHAEOGLOBUS FULGIDUS; . AUTHOR D.LADAKIS,A.A.BRINDLEY,E.DEERY,M.J.WARREN,R.W.PICKERSGILL . 502 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 20224.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 364 72.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 76 15.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 23 4.6 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 . 4 0.8 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 0.2 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 . 46 9.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 42 8.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 134 26.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 16 3.2 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 4 2 4 2 0 0 0 0 4 0 0 0 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 1 3 0 7 1 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 0 0 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 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 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 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 0 A G 0 0 48 0, 0.0 255,-0.1 0, 0.0 2,-0.1 0.000 360.0 360.0 360.0 122.2 -18.3 5.9 0.7 2 1 A M - 0 0 120 1,-0.1 2,-1.0 58,-0.0 58,-0.0 -0.326 360.0-103.6 -72.7 153.1 -18.4 9.6 1.7 3 2 A R - 0 0 100 251,-0.1 58,-2.2 32,-0.1 59,-1.1 -0.747 48.7-169.2 -75.6 98.5 -16.2 12.5 0.3 4 3 A R E -a 62 0A 22 -2,-1.0 32,-2.1 56,-0.2 33,-1.2 -0.787 7.8-169.6 -97.9 126.5 -13.6 13.0 3.2 5 4 A G E -ab 63 37A 0 57,-2.9 59,-2.8 -2,-0.4 2,-0.4 -0.814 9.4-151.6-114.0 158.7 -11.1 15.8 3.6 6 5 A L E -ab 64 38A 0 31,-3.0 33,-2.6 -2,-0.3 2,-0.5 -0.984 6.8-174.2-123.9 129.6 -8.1 16.7 5.8 7 6 A V E -ab 65 39A 0 57,-2.4 59,-3.1 -2,-0.4 2,-0.5 -0.995 14.3-155.2-118.3 120.1 -6.8 20.0 6.8 8 7 A I E -ab 66 40A 0 31,-2.5 33,-2.4 -2,-0.5 2,-0.5 -0.867 11.3-157.0 -96.2 126.5 -3.5 19.8 8.8 9 8 A V E +ab 67 41A 0 57,-2.7 59,-3.4 -2,-0.5 33,-0.3 -0.933 16.7 176.0-117.7 123.8 -3.1 22.9 11.0 10 9 A G E - b 0 42A 0 31,-2.6 33,-1.6 -2,-0.5 59,-0.1 -0.395 37.8-122.5-114.7-179.8 0.3 23.9 12.2 11 10 A H - 0 0 63 57,-0.3 36,-0.2 31,-0.2 33,-0.2 0.857 45.0-154.5 -90.0 -48.2 2.1 26.7 14.1 12 11 A G - 0 0 6 30,-0.1 2,-0.3 31,-0.1 185,-0.1 -0.291 2.5-125.7 92.5 179.8 4.6 27.9 11.5 13 12 A S - 0 0 29 2,-0.3 6,-0.2 -2,-0.1 185,-0.0 -0.979 22.5-120.8-161.3 148.2 8.0 29.6 11.9 14 13 A Q S S+ 0 0 127 -2,-0.3 2,-0.2 4,-0.0 185,-0.1 0.627 104.3 69.7 -60.5 -20.5 10.0 32.6 10.9 15 14 A L S S- 0 0 60 1,-0.1 4,-0.3 -3,-0.0 -2,-0.3 -0.515 92.7-119.9 -92.9 173.1 12.4 29.9 9.5 16 15 A N S > S+ 0 0 125 -2,-0.2 4,-1.6 1,-0.2 3,-0.3 0.677 91.7 82.1 -86.8 -24.7 11.5 27.8 6.4 17 16 A H H > S+ 0 0 2 181,-0.5 4,-2.3 1,-0.2 -1,-0.2 0.833 85.4 58.7 -62.5 -34.1 11.6 24.2 7.8 18 17 A Y H > S+ 0 0 14 -3,-0.2 4,-3.0 2,-0.2 5,-0.2 0.962 105.6 48.5 -57.9 -50.8 8.0 24.3 9.4 19 18 A R H > S+ 0 0 93 -4,-0.3 4,-2.4 -3,-0.3 -1,-0.2 0.926 112.4 49.0 -56.6 -45.3 6.3 25.0 6.0 20 19 A E H X S+ 0 0 85 -4,-1.6 4,-2.7 2,-0.2 -1,-0.2 0.851 110.3 51.3 -64.0 -38.1 8.3 22.2 4.3 21 20 A V H X S+ 0 0 1 -4,-2.3 4,-2.9 2,-0.2 5,-0.3 0.983 111.7 47.0 -58.3 -58.0 7.4 19.7 7.1 22 21 A M H X S+ 0 0 0 -4,-3.0 4,-2.3 2,-0.2 -2,-0.2 0.913 113.7 49.1 -44.5 -48.4 3.7 20.7 6.7 23 22 A E H X S+ 0 0 69 -4,-2.4 4,-2.5 -5,-0.2 -1,-0.2 0.928 109.8 50.9 -62.2 -47.2 4.1 20.3 2.9 24 23 A L H X S+ 0 0 60 -4,-2.7 4,-2.6 2,-0.2 -1,-0.2 0.888 111.0 47.8 -55.2 -48.0 5.8 16.9 3.3 25 24 A H H X S+ 0 0 0 -4,-2.9 4,-1.9 2,-0.2 -2,-0.2 0.907 113.4 49.4 -60.8 -37.9 2.9 15.6 5.6 26 25 A R H X S+ 0 0 57 -4,-2.3 4,-2.6 -5,-0.3 -2,-0.2 0.910 112.9 45.9 -66.3 -43.1 0.4 16.9 3.1 27 26 A K H X S+ 0 0 101 -4,-2.5 4,-2.6 2,-0.2 5,-0.2 0.926 110.6 52.7 -70.2 -48.4 2.1 15.3 0.1 28 27 A R H X S+ 0 0 36 -4,-2.6 4,-0.6 -5,-0.2 -1,-0.2 0.917 114.7 41.7 -48.8 -49.1 2.5 11.9 1.9 29 28 A I H >X>S+ 0 0 0 -4,-1.9 4,-0.9 2,-0.2 5,-0.6 0.890 111.6 55.2 -75.5 -37.3 -1.2 11.8 2.8 30 29 A E H ><5S+ 0 0 66 -4,-2.6 3,-0.9 1,-0.2 -2,-0.2 0.958 111.3 45.1 -55.8 -50.6 -2.4 13.0 -0.6 31 30 A E H 3<5S+ 0 0 140 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.635 103.0 65.2 -67.6 -13.2 -0.4 10.2 -2.4 32 31 A S H <<5S- 0 0 10 -4,-0.6 -1,-0.2 -3,-0.5 -2,-0.2 0.775 97.4-137.3 -82.8 -26.7 -1.6 7.6 0.1 33 32 A G T <<5 + 0 0 20 -3,-0.9 -3,-0.1 -4,-0.9 -2,-0.1 0.383 64.6 127.6 85.9 1.0 -5.2 8.0 -1.1 34 33 A A S S- 0 0 5 -33,-0.2 3,-2.7 35,-0.1 -34,-0.1 -0.970 94.2 -1.4-158.1 142.6 -0.5 31.5 14.8 45 44 A R T 3 S- 0 0 174 1,-0.3 -2,-0.0 -2,-0.3 -34,-0.0 0.787 117.7 -63.5 51.4 43.4 0.6 35.1 14.1 46 45 A K T 3 S+ 0 0 148 1,-0.2 -1,-0.3 -4,-0.0 4,-0.1 0.573 86.0 169.4 56.4 16.0 -1.7 35.8 11.2 47 46 A R < - 0 0 36 -3,-2.7 -5,-0.3 -36,-0.2 -1,-0.2 -0.147 29.1 -89.0 -55.8 148.8 0.0 33.0 9.1 48 47 A R S S+ 0 0 134 -7,-0.1 2,-0.1 2,-0.1 -7,-0.1 -0.902 96.7 37.1-124.5 149.6 -1.6 31.9 5.8 49 48 A P S S- 0 0 37 0, 0.0 -7,-2.5 0, 0.0 -1,-0.1 0.488 78.3-154.3 -72.0 151.5 -3.5 30.0 4.7 50 49 A M >> - 0 0 37 -9,-0.2 4,-1.9 -2,-0.1 3,-0.5 -0.525 29.0-105.8 -82.8 162.2 -5.9 30.2 7.6 51 50 A P H 3> S+ 0 0 0 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.872 118.4 57.6 -60.1 -35.4 -8.2 27.3 8.4 52 51 A D H 3> S+ 0 0 25 31,-0.3 4,-2.3 1,-0.2 5,-0.1 0.888 108.7 46.1 -62.0 -38.8 -11.2 29.1 7.0 53 52 A E H <> S+ 0 0 46 -3,-0.5 4,-1.1 2,-0.2 -1,-0.2 0.823 111.2 51.2 -74.2 -38.7 -9.6 29.6 3.6 54 53 A A H < S+ 0 0 2 -4,-1.9 3,-0.4 2,-0.2 4,-0.3 0.959 112.4 46.2 -61.3 -52.2 -8.3 26.0 3.4 55 54 A I H >< S+ 0 0 0 -4,-2.5 3,-2.5 1,-0.2 -2,-0.2 0.920 108.4 56.0 -51.5 -53.4 -11.8 24.6 4.2 56 55 A R H 3< S+ 0 0 124 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.789 103.8 55.9 -55.5 -27.3 -13.5 27.0 1.6 57 56 A E T 3< S+ 0 0 126 -4,-1.1 2,-0.4 -3,-0.4 -1,-0.3 0.623 94.0 98.3 -77.2 -10.3 -11.2 25.6 -1.0 58 57 A M < - 0 0 5 -3,-2.5 2,-0.8 -4,-0.3 -53,-0.1 -0.671 57.5-159.9 -96.8 139.8 -12.5 22.0 -0.2 59 58 A N + 0 0 128 -2,-0.4 2,-0.3 -55,-0.1 -3,-0.1 -0.699 52.4 125.0-106.3 65.9 -15.2 20.0 -2.0 60 59 A C - 0 0 14 -2,-0.8 -56,-0.2 -5,-0.2 41,-0.2 -0.967 61.6-142.5-134.0 152.7 -16.0 17.5 0.9 61 60 A D S S+ 0 0 91 -58,-2.2 40,-1.5 -2,-0.3 2,-0.4 0.971 98.4 19.2 -62.7 -60.7 -18.9 16.1 3.0 62 61 A I E -ac 4 101A 16 -59,-1.1 -57,-2.9 38,-0.1 2,-0.4 -0.904 68.4-163.1-117.0 136.6 -16.8 16.0 6.2 63 62 A I E -ac 5 102A 0 38,-2.1 40,-3.0 -2,-0.4 2,-0.5 -0.984 7.0-156.2-119.3 121.2 -13.6 17.9 6.8 64 63 A Y E -ac 6 103A 45 -59,-2.8 -57,-2.4 -2,-0.4 2,-0.6 -0.847 7.7-157.2 -92.4 122.9 -11.3 16.7 9.7 65 64 A V E -ac 7 104A 0 38,-3.1 40,-2.6 -2,-0.5 -57,-0.2 -0.926 10.4-160.8-102.7 113.8 -9.1 19.5 10.9 66 65 A V E -a 8 0A 0 -59,-3.1 -57,-2.7 -2,-0.6 2,-0.6 -0.866 12.1-137.6-106.6 118.1 -6.0 18.0 12.7 67 66 A P E -a 9 0A 0 0, 0.0 2,-1.8 0, 0.0 41,-1.3 -0.582 5.4-154.0 -72.4 113.6 -3.9 20.1 15.0 68 67 A L + 0 0 1 -59,-3.4 2,-0.3 -2,-0.6 -57,-0.3 -0.563 60.0 110.8 -76.6 70.6 -0.2 19.5 14.4 69 68 A F S S- 0 0 22 -2,-1.8 40,-1.2 1,-0.1 39,-0.6 -0.953 73.0-127.6-148.7 157.2 0.6 20.5 18.1 70 69 A I S S+ 0 0 13 -2,-0.3 2,-0.3 38,-0.2 40,-0.1 0.862 84.2 9.9 -80.5 -36.8 1.8 18.6 21.1 71 70 A S S S- 0 0 7 38,-0.1 2,-1.6 67,-0.1 5,-0.2 -0.786 81.5 -88.8-138.8 174.9 -0.9 19.8 23.4 72 71 A Y S S+ 0 0 4 -2,-0.3 71,-0.4 4,-0.1 72,-0.2 -0.716 73.4 145.2 -84.5 82.4 -4.1 21.5 24.1 73 72 A G > - 0 0 7 -2,-1.6 4,-2.9 70,-0.1 5,-0.3 -0.185 68.6 -70.5-103.8-155.8 -2.4 24.9 24.5 74 73 A L H >>S+ 0 0 57 2,-0.2 4,-2.5 1,-0.2 5,-1.2 0.926 132.0 51.7 -69.6 -41.8 -3.4 28.4 23.7 75 74 A H H 4>S+ 0 0 60 3,-0.2 5,-2.8 1,-0.2 -1,-0.2 0.923 116.9 39.0 -61.6 -39.4 -3.0 27.8 19.9 76 75 A V H 45S+ 0 0 2 -5,-0.2 -2,-0.2 3,-0.2 -1,-0.2 0.883 125.2 35.4 -79.8 -41.8 -5.3 24.7 20.1 77 76 A T H <5S+ 0 0 10 -4,-2.9 12,-1.7 3,-0.1 -2,-0.2 0.661 135.0 16.7 -88.5 -18.2 -7.9 25.9 22.5 78 77 A E T X5S+ 0 0 63 -4,-2.5 4,-2.9 -5,-0.3 5,-0.3 0.702 124.2 39.7-111.3 -68.6 -8.0 29.6 21.5 79 78 A D H >4>S+ 0 0 0 0, 0.0 5,-2.5 0, 0.0 3,-0.8 0.908 113.3 54.3 -66.3 -34.8 -11.3 27.6 17.3 82 81 A D H ><5S+ 0 0 77 -4,-2.9 3,-1.7 1,-0.2 -2,-0.2 0.937 105.8 54.5 -54.1 -46.0 -11.5 31.4 17.1 83 82 A L H 3<5S+ 0 0 47 -4,-2.5 -31,-0.3 1,-0.3 -1,-0.2 0.681 114.4 41.5 -64.9 -17.2 -10.3 31.2 13.4 84 83 A L T <<5S- 0 0 5 -4,-0.8 -1,-0.3 -3,-0.8 -2,-0.2 0.444 111.1-117.7-104.4 1.4 -13.2 28.8 12.8 85 84 A G T < 5S+ 0 0 70 -3,-1.7 -3,-0.2 -4,-0.5 -2,-0.1 0.682 71.9 135.1 61.3 21.9 -15.9 30.6 14.8 86 85 A F < - 0 0 22 -5,-2.5 -1,-0.3 -6,-0.2 -2,-0.2 -0.730 64.0 -92.6 -92.1 149.3 -16.1 27.5 17.1 87 86 A P - 0 0 110 0, 0.0 -1,-0.1 0, 0.0 -5,-0.0 -0.235 45.4-107.7 -61.4 151.1 -16.2 27.9 21.0 88 87 A R + 0 0 140 -7,-0.1 2,-0.2 -8,-0.0 -10,-0.2 -0.187 65.1 66.4 -73.0 161.6 -12.9 27.8 22.9 89 88 A G S S- 0 0 28 -12,-1.7 2,-0.0 -13,-0.0 0, 0.0 -0.657 74.8 -39.6 128.8-172.8 -11.6 25.0 25.1 90 89 A R S S+ 0 0 137 -2,-0.2 16,-0.0 -18,-0.1 -17,-0.0 -0.173 82.6 39.3 -77.6 169.8 -10.4 21.4 25.3 91 90 A G S S- 0 0 25 2,-0.0 13,-0.0 -2,-0.0 2,-0.0 0.207 91.6 -43.3 85.2 161.5 -11.6 18.3 23.4 92 91 A I - 0 0 83 14,-0.0 2,-0.4 11,-0.0 13,-0.2 -0.273 52.8-155.3 -55.0 152.2 -12.9 17.4 20.0 93 92 A K E -D 104 0A 29 11,-1.8 11,-2.9 2,-0.0 2,-0.5 -0.957 10.6-175.3-142.6 119.8 -15.3 19.9 18.3 94 93 A E E +D 103 0A 119 -2,-0.4 2,-0.3 9,-0.2 9,-0.2 -0.948 29.9 102.4-124.0 128.6 -17.9 19.0 15.6 95 94 A G E -D 102 0A 21 7,-2.0 7,-3.0 -2,-0.5 2,-0.4 -0.864 62.4 -69.2-166.2-152.3 -20.1 21.4 13.8 96 95 A E E -D 101 0A 126 -2,-0.3 2,-0.4 5,-0.2 5,-0.2 -0.907 23.3-160.4-124.5 149.8 -20.5 23.1 10.5 97 96 A F E > S-D 100 0A 24 3,-2.5 3,-2.4 -2,-0.4 -12,-0.1 -0.992 82.4 -27.1-130.1 118.4 -18.5 25.9 8.9 98 97 A E T 3 S- 0 0 124 -2,-0.4 3,-0.1 1,-0.3 -1,-0.1 0.866 129.3 -44.9 34.2 53.1 -20.4 27.7 6.1 99 98 A G T 3 S+ 0 0 60 1,-0.2 2,-0.3 0, 0.0 -1,-0.3 0.151 115.8 105.8 90.5 -18.3 -22.5 24.6 5.4 100 99 A K E < S- D 0 97A 59 -3,-2.4 -3,-2.5 -38,-0.0 2,-0.3 -0.766 75.2-112.8 -94.9 144.1 -19.7 21.9 5.5 101 100 A K E -cD 62 96A 73 -40,-1.5 -38,-2.1 -2,-0.3 2,-0.4 -0.598 38.6-174.0 -71.7 126.4 -19.3 19.4 8.4 102 101 A V E -cD 63 95A 0 -7,-3.0 -7,-2.0 -2,-0.3 2,-0.6 -0.990 12.0-165.9-127.7 127.2 -16.0 20.2 10.2 103 102 A V E -cD 64 94A 14 -40,-3.0 -38,-3.1 -2,-0.4 2,-0.9 -0.958 11.4-151.8-118.5 112.1 -14.4 18.0 13.0 104 103 A I E -cD 65 93A 4 -11,-2.9 -11,-1.8 -2,-0.6 -38,-0.2 -0.768 27.2-155.5 -74.9 111.0 -11.6 19.6 15.0 105 104 A C - 0 0 6 -40,-2.6 143,-0.1 -2,-0.9 142,-0.1 -0.178 24.6 -78.0 -84.2 174.1 -9.7 16.5 16.0 106 105 A E - 0 0 51 141,-0.4 -1,-0.2 1,-0.1 -14,-0.0 -0.496 51.5-102.8 -69.4 143.2 -7.4 16.0 19.0 107 106 A P - 0 0 11 0, 0.0 3,-0.5 0, 0.0 4,-0.2 -0.271 34.2-116.5 -57.4 155.5 -3.8 17.4 18.7 108 107 A I S > S+ 0 0 3 -41,-1.3 3,-2.0 -39,-0.6 6,-0.4 0.623 85.7 104.4 -77.6 -9.7 -1.3 14.6 18.0 109 108 A G T 3 S+ 0 0 1 -40,-1.2 -1,-0.2 1,-0.3 -38,-0.1 0.723 80.0 41.0 -46.5 -47.0 0.7 15.0 21.3 110 109 A E T 3 S+ 0 0 77 -3,-0.5 -1,-0.3 -40,-0.1 -2,-0.1 0.620 86.5 119.4 -86.9 -12.9 -0.6 12.1 23.3 111 110 A D S X> S- 0 0 34 -3,-2.0 4,-1.2 -4,-0.2 3,-1.1 -0.189 71.4-128.1 -51.1 141.9 -0.6 9.6 20.4 112 111 A Y H 3> S+ 0 0 88 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.803 109.8 69.0 -56.4 -30.9 1.7 6.5 20.8 113 112 A F H 3> S+ 0 0 11 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.896 96.3 51.7 -55.8 -34.9 3.1 7.5 17.4 114 113 A V H <> S+ 0 0 0 -3,-1.1 4,-2.2 -6,-0.4 -1,-0.2 0.888 106.8 51.9 -67.4 -39.9 4.6 10.6 19.1 115 114 A T H X S+ 0 0 0 -4,-1.2 4,-2.0 2,-0.2 -2,-0.2 0.947 113.1 46.0 -58.5 -43.8 6.3 8.4 21.7 116 115 A Y H X S+ 0 0 17 -4,-2.4 4,-2.6 2,-0.2 -2,-0.2 0.889 108.2 56.0 -67.6 -34.1 7.7 6.3 18.8 117 116 A A H X S+ 0 0 0 -4,-2.3 4,-1.0 1,-0.2 -1,-0.2 0.900 106.9 50.9 -62.9 -39.9 8.8 9.4 16.9 118 117 A I H >X S+ 0 0 0 -4,-2.2 4,-0.9 1,-0.2 3,-0.5 0.911 110.3 48.7 -58.6 -42.8 10.7 10.4 20.0 119 118 A L H >X S+ 0 0 4 -4,-2.0 4,-2.5 1,-0.2 3,-0.6 0.924 110.0 52.5 -64.7 -40.6 12.3 6.9 20.0 120 119 A N H 3X S+ 0 0 9 -4,-2.6 4,-1.8 2,-0.3 -1,-0.2 0.555 94.3 67.3 -75.1 -12.8 13.2 7.2 16.2 121 120 A S H << S+ 0 0 7 -4,-1.0 111,-0.4 -3,-0.5 -1,-0.2 0.824 115.6 33.5 -69.1 -32.6 15.0 10.7 16.6 122 121 A V H << S+ 0 0 15 -4,-0.9 -2,-0.3 -3,-0.6 -3,-0.1 0.910 126.8 37.7 -80.1 -49.6 17.4 8.5 18.5 123 122 A F H < S- 0 0 5 -4,-2.5 -3,-0.2 -5,-0.1 -2,-0.2 0.868 85.1-157.9 -82.6 -31.3 17.2 5.2 16.6 124 123 A R < + 0 0 121 -4,-1.8 2,-0.4 1,-0.2 -3,-0.1 0.750 20.9 171.0 62.1 35.6 16.8 6.8 13.1 125 124 A I 0 0 7 1,-0.3 -1,-0.2 286,-0.1 -2,-0.1 -0.623 360.0 360.0 -70.4 123.6 15.2 3.9 11.4 126 125 A G 0 0 66 -2,-0.4 -1,-0.3 111,-0.1 -2,-0.1 0.431 360.0 360.0 76.9 360.0 14.1 5.2 8.0 127 !* 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 0.0 128 1 B M 0 0 105 0, 0.0 2,-0.6 0, 0.0 255,-0.0 0.000 360.0 360.0 360.0 162.1 26.1 0.5 28.5 129 2 B R - 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