==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSLATION 29-SEP-04 1WQH . COMPND 2 MOLECULE: RIBOSOME RECYCLING FACTOR; . SOURCE 2 ORGANISM_SCIENTIFIC: MYCOBACTERIUM TUBERCULOSIS; . AUTHOR K.SAIKRISHNAN,S.K.KALAPALA,U.VARSHNEY,M.VIJAYAN . 183 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11374.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 136 74.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 16 8.7 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 . 2 1.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.5 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 . 8 4.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 17 9.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 93 50.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 0.5 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 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 2 RESIDUES PER ALPHA HELIX . 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 0 0 0 0 PARALLEL BRIDGES PER LADDER . 1 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 ANTIPARALLEL BRIDGES PER LADDER . 1 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 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 2 A I > 0 0 43 0, 0.0 4,-1.6 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0 -32.4 15.1 10.0 19.8 2 3 A D H > + 0 0 100 2,-0.2 4,-2.2 3,-0.1 5,-0.3 0.958 360.0 46.0 -71.0 -51.9 15.6 6.6 21.1 3 4 A E H > S+ 0 0 156 1,-0.2 4,-2.0 2,-0.2 5,-0.2 0.876 115.6 46.9 -47.8 -47.3 19.3 7.0 20.4 4 5 A A H > S+ 0 0 15 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.914 114.6 42.8 -65.4 -50.1 19.3 10.6 21.9 5 6 A L H X S+ 0 0 17 -4,-1.6 4,-1.4 1,-0.2 -1,-0.2 0.768 117.4 47.9 -70.8 -32.6 17.5 9.9 25.1 6 7 A F H X S+ 0 0 120 -4,-2.2 4,-1.3 -5,-0.2 -1,-0.2 0.805 114.7 45.5 -77.6 -33.4 19.4 6.7 25.6 7 8 A D H X S+ 0 0 66 -4,-2.0 4,-1.8 -5,-0.3 -2,-0.2 0.837 111.8 52.5 -76.2 -31.5 22.8 8.4 24.9 8 9 A A H X S+ 0 0 3 -4,-2.0 4,-1.1 2,-0.2 -2,-0.2 0.967 110.7 45.3 -73.9 -50.1 22.1 11.4 27.0 9 10 A E H >X S+ 0 0 69 -4,-1.4 4,-1.5 1,-0.2 3,-0.8 0.917 111.5 51.7 -56.0 -50.7 21.2 9.4 30.1 10 11 A E H 3X S+ 0 0 128 -4,-1.3 4,-0.9 1,-0.3 -1,-0.2 0.875 110.9 49.3 -56.5 -37.5 24.1 7.1 29.8 11 12 A K H 3X S+ 0 0 82 -4,-1.8 4,-0.9 1,-0.2 -1,-0.3 0.681 107.2 55.8 -82.2 -12.3 26.4 10.1 29.5 12 13 A M H < S+ 0 0 79 -4,-1.6 3,-1.6 -3,-0.3 -2,-0.2 0.897 106.3 52.9 -77.8 -43.3 36.7 13.8 42.0 23 24 A L H >< S+ 0 0 7 -4,-2.4 3,-0.7 1,-0.3 -1,-0.2 0.719 104.4 60.7 -65.4 -21.3 35.1 14.6 45.3 24 25 A S T 3< S+ 0 0 47 -4,-0.7 -1,-0.3 -5,-0.3 -2,-0.2 0.571 93.2 62.9 -85.9 -12.2 36.9 11.6 46.7 25 26 A T T < S+ 0 0 50 -3,-1.6 2,-0.9 -4,-0.2 -1,-0.2 0.437 80.5 103.8 -81.4 -4.1 40.3 13.2 45.8 26 27 A I S < S- 0 0 20 -3,-0.7 9,-0.1 -4,-0.2 8,-0.1 -0.742 76.9-134.4 -84.3 107.5 39.3 15.9 48.2 27 28 A R + 0 0 25 -2,-0.9 -2,-0.1 1,-0.1 3,-0.1 -0.323 38.0 160.3 -58.1 138.3 41.4 15.2 51.3 28 29 A T - 0 0 1 -4,-0.1 76,-0.2 1,-0.1 -1,-0.1 0.401 54.4 -88.8-140.5 1.3 39.1 15.5 54.4 29 30 A G S S+ 0 0 14 74,-0.1 -1,-0.1 3,-0.1 74,-0.1 -0.046 108.8 78.4 80.5 156.3 40.7 13.7 57.3 30 31 A R S S- 0 0 90 71,-0.1 31,-0.1 31,-0.1 -3,-0.0 -0.262 96.9-138.3 81.9 -35.6 39.9 10.0 57.8 31 32 A A - 0 0 21 1,-0.1 32,-0.1 31,-0.0 -4,-0.0 0.442 29.5-175.5 63.0 148.6 42.5 10.0 55.0 32 33 A N >> - 0 0 45 27,-0.1 4,-0.9 -7,-0.1 3,-0.9 -0.975 40.9 -97.7-172.7 160.4 42.3 7.7 52.0 33 34 A P T 34 S+ 0 0 60 0, 0.0 18,-0.1 0, 0.0 24,-0.1 0.668 111.7 64.9 -59.5 -24.2 44.0 6.4 48.8 34 35 A G T 34 S+ 0 0 24 -10,-0.2 3,-0.1 1,-0.2 4,-0.1 0.850 93.9 57.2 -65.8 -40.3 42.1 8.9 46.6 35 36 A M T X4 S+ 0 0 6 -3,-0.9 2,-2.0 1,-0.2 3,-1.1 0.951 100.9 59.7 -55.8 -50.6 43.6 12.1 48.0 36 37 A F T 3< S+ 0 0 16 -4,-0.9 -1,-0.2 1,-0.2 15,-0.1 -0.549 91.5 74.5 -81.0 74.6 47.1 10.8 47.1 37 38 A S T 3 S+ 0 0 49 -2,-2.0 -1,-0.2 -12,-0.1 -2,-0.1 0.395 73.3 66.3-169.5 -15.7 46.4 10.5 43.4 38 39 A R S < S+ 0 0 91 -3,-1.1 2,-0.5 -13,-0.1 -2,-0.1 0.513 86.0 97.7 -80.2 -12.8 46.3 14.0 41.8 39 40 A I - 0 0 24 -4,-0.3 11,-2.3 2,-0.0 12,-0.3 -0.673 60.0-173.5 -81.2 121.9 50.1 13.9 42.7 40 41 A T E -A 49 0A 52 -2,-0.5 2,-0.3 9,-0.3 -2,-0.1 -0.692 12.0-157.3-112.5 165.4 52.1 12.9 39.7 41 42 A I E -A 48 0A 16 7,-1.4 7,-1.8 -2,-0.2 2,-0.6 -0.963 32.7-104.2-146.2 129.5 55.9 12.1 39.4 42 43 A D E -A 47 0A 121 -2,-0.3 2,-0.4 5,-0.3 5,-0.3 -0.378 40.1-165.4 -54.0 101.5 58.1 12.2 36.2 43 44 A Y E > -A 46 0A 109 3,-0.7 3,-0.9 -2,-0.6 -1,-0.0 -0.835 61.8 -45.2 -93.6 132.3 58.5 8.4 35.4 44 45 A Y T 3 S- 0 0 207 -2,-0.4 2,-0.3 1,-0.3 -1,-0.2 0.569 131.2 -21.4 -2.8 65.0 61.3 7.7 32.9 45 46 A G T 3 S+ 0 0 67 1,-0.5 -1,-0.3 -3,-0.0 -3,-0.1 -0.619 130.7 51.3 128.8 -72.0 60.2 10.6 30.6 46 47 A A E < S-A 43 0A 70 -3,-0.9 -3,-0.7 -2,-0.3 -1,-0.5 0.085 84.8 -97.2 -83.4-167.7 56.6 11.4 31.3 47 48 A A E -A 42 0A 70 -5,-0.3 -5,-0.3 -3,-0.1 -1,-0.1 -0.955 37.4-169.0-119.2 145.8 54.7 12.1 34.5 48 49 A T E -A 41 0A 14 -7,-1.8 -7,-1.4 -2,-0.3 5,-0.1 -0.984 29.2-103.3-141.2 136.7 52.7 9.5 36.5 49 50 A P E > -A 40 0A 48 0, 0.0 3,-1.9 0, 0.0 4,-0.3 -0.358 28.8-134.9 -56.8 133.4 50.2 9.3 39.4 50 51 A I G >> S+ 0 0 7 -11,-2.3 3,-1.6 1,-0.3 4,-1.2 0.827 106.2 64.3 -58.4 -35.8 51.9 8.1 42.6 51 52 A T G 34 S+ 0 0 58 -12,-0.3 -1,-0.3 1,-0.3 5,-0.1 0.417 101.7 52.0 -69.9 -0.1 49.0 5.7 43.1 52 53 A Q G <4 S+ 0 0 124 -3,-1.9 -1,-0.3 -4,-0.1 -2,-0.2 0.417 116.8 35.9-112.4 -6.4 50.1 4.1 39.9 53 54 A L T <4 S+ 0 0 23 -3,-1.6 16,-0.9 -4,-0.3 -2,-0.2 0.377 107.9 79.9-118.3 -1.0 53.8 3.6 41.0 54 55 A A S < S- 0 0 12 -4,-1.2 2,-1.0 14,-0.2 -3,-0.0 -0.269 88.4 -87.5-107.8-178.8 53.3 2.9 44.8 55 56 A S S > S- 0 0 41 1,-0.1 3,-0.7 -2,-0.1 10,-0.1 -0.764 75.2 -78.2 -97.1 87.3 52.3 0.0 47.2 56 57 A I T 3 - 0 0 148 -2,-1.0 -1,-0.1 1,-0.2 -5,-0.1 0.540 65.4-105.9 38.0 22.8 48.5 0.1 47.4 57 58 A N T 3 - 0 0 8 1,-0.1 -1,-0.2 10,-0.1 9,-0.2 0.804 40.9-136.7 17.7 85.2 48.8 3.1 49.8 58 59 A V B < -B 65 0B 59 7,-1.6 7,-2.3 -3,-0.7 -1,-0.1 -0.447 13.4-152.0 -69.6 129.0 47.9 1.2 53.0 59 60 A P + 0 0 72 0, 0.0 2,-1.0 0, 0.0 4,-0.1 0.994 28.9 164.1 -66.3 -75.5 45.5 3.1 55.2 60 61 A E - 0 0 121 4,-0.1 2,-0.4 2,-0.1 4,-0.2 -0.188 59.5-113.3 70.9 -41.9 45.8 2.3 59.0 61 62 A A S S+ 0 0 60 2,-1.3 -31,-0.1 -2,-1.0 -1,-0.1 -0.865 100.9 43.1 129.2 -97.7 43.8 5.6 59.6 62 63 A R S S+ 0 0 217 -2,-0.4 39,-0.9 38,-0.1 2,-0.2 0.858 127.1 32.1 -39.3 -44.3 45.6 8.5 61.4 63 64 A L E S- C 0 100B 62 37,-0.2 -2,-1.3 -4,-0.1 2,-0.3 -0.557 71.1-145.0-112.2 176.3 48.5 7.6 59.1 64 65 A V E - C 0 99B 5 35,-2.0 35,-3.2 -2,-0.2 2,-0.5 -0.961 13.1-159.1-145.5 128.4 49.1 6.3 55.7 65 66 A V E +BC 58 98B 16 -7,-2.3 -7,-1.6 -2,-0.3 33,-0.2 -0.959 12.6 178.2-121.5 122.7 52.0 4.0 54.8 66 67 A I - 0 0 11 31,-2.6 -8,-0.2 -2,-0.5 -1,-0.1 0.750 10.0-176.5 -93.1-117.0 53.3 3.5 51.2 67 68 A K - 0 0 25 3,-0.1 29,-0.1 -10,-0.1 -10,-0.1 0.644 18.8-141.3 106.8 94.5 56.2 1.5 49.7 68 69 A P - 0 0 25 0, 0.0 -14,-0.2 0, 0.0 3,-0.1 -0.064 20.1-123.9 -65.8 172.3 57.1 1.6 46.0 69 70 A Y S S+ 0 0 152 -16,-0.9 2,-0.2 1,-0.1 -15,-0.1 -0.331 98.5 67.4-107.0 46.4 58.3 -1.3 43.8 70 71 A E >> - 0 0 35 1,-0.1 3,-1.1 25,-0.0 4,-0.7 -0.781 65.5-158.7-169.4 108.7 61.4 0.8 43.0 71 72 A A G >4 S+ 0 0 88 1,-0.2 3,-1.1 -2,-0.2 4,-0.4 0.943 95.9 51.0 -57.7 -52.5 64.1 1.7 45.6 72 73 A N G 34 S+ 0 0 102 1,-0.2 4,-0.3 2,-0.1 -1,-0.2 0.260 103.0 66.5 -73.6 12.2 65.5 4.7 43.7 73 74 A Q G <> S+ 0 0 29 -3,-1.1 4,-1.3 2,-0.1 3,-0.4 0.680 73.6 80.1-107.1 -32.0 61.9 6.1 43.4 74 75 A L H S+ 0 0 77 -4,-0.4 4,-1.9 1,-0.2 3,-0.2 0.916 105.8 37.1 -45.0 -63.5 63.1 10.1 46.7 76 77 A A H > S+ 0 0 53 -3,-0.4 4,-1.0 -4,-0.3 -1,-0.2 0.667 112.3 60.2 -74.0 -18.3 60.9 11.9 44.2 77 78 A I H X S+ 0 0 4 -4,-1.3 4,-2.1 -3,-0.4 -1,-0.2 0.906 107.4 43.2 -72.0 -46.3 57.6 10.5 45.7 78 79 A E H X S+ 0 0 23 -4,-1.9 4,-1.5 2,-0.2 -2,-0.2 0.912 117.3 46.9 -66.9 -44.0 58.2 12.1 49.2 79 80 A T H X S+ 0 0 71 -4,-1.9 4,-2.4 -5,-0.3 -1,-0.2 0.822 107.8 58.7 -64.0 -30.4 59.3 15.3 47.5 80 81 A A H X S+ 0 0 13 -4,-1.0 4,-1.0 1,-0.2 -2,-0.2 0.940 108.3 43.5 -58.3 -47.1 56.2 14.9 45.3 81 82 A I H < S+ 0 0 5 -4,-2.1 7,-0.4 2,-0.2 6,-0.3 0.691 108.3 59.3 -78.5 -18.7 54.2 15.0 48.5 82 83 A R H < S+ 0 0 72 -4,-1.5 -1,-0.2 1,-0.2 -2,-0.2 0.932 106.8 46.5 -67.8 -50.4 56.2 17.9 49.8 83 84 A N H < S+ 0 0 142 -4,-2.4 -2,-0.2 -5,-0.1 -1,-0.2 0.778 99.1 108.7 -54.0 -29.8 55.2 19.9 46.6 84 85 A S S < S- 0 0 27 -4,-1.0 3,-0.4 -5,-0.2 4,-0.1 -0.058 70.6-141.6 -56.0 150.3 51.6 18.7 47.4 85 86 A D S S+ 0 0 106 1,-0.2 -1,-0.1 2,-0.1 -4,-0.1 0.735 85.0 92.6 -76.3 -25.1 48.8 20.9 48.7 86 87 A L S S- 0 0 14 1,-0.1 -1,-0.2 -51,-0.1 -4,-0.1 0.743 86.3-137.3 -46.8 -34.8 47.7 18.0 51.0 87 88 A G + 0 0 44 -3,-0.4 2,-0.3 -6,-0.3 -1,-0.1 0.994 43.4 153.8 74.7 69.4 49.8 19.2 53.8 88 89 A V - 0 0 16 -7,-0.4 13,-0.2 13,-0.1 -1,-0.2 -0.941 47.6-123.8-134.9 148.5 51.3 16.1 55.2 89 90 A N E -D 100 0B 116 11,-1.9 11,-2.4 -2,-0.3 2,-0.5 -0.832 36.0-174.4 -93.7 106.3 54.4 14.9 57.1 90 91 A P E +D 99 0B 45 0, 0.0 2,-0.2 0, 0.0 9,-0.2 -0.880 9.8 174.7-106.9 131.7 56.2 12.2 55.1 91 92 A T E -D 98 0B 85 7,-2.6 7,-0.8 -2,-0.5 2,-0.2 -0.656 18.1-150.9-114.4 176.7 59.2 10.2 56.2 92 93 A N E -D 97 0B 56 5,-0.2 5,-0.2 -2,-0.2 7,-0.0 -0.736 2.6-166.2-150.8 101.2 60.9 7.4 54.4 93 94 A D S S- 0 0 113 3,-1.3 4,-0.1 -2,-0.2 -1,-0.0 0.635 70.4 -68.7 -66.5 -15.2 62.6 4.8 56.7 94 95 A G S S+ 0 0 61 2,-0.3 -1,-0.1 -23,-0.0 3,-0.1 0.310 126.7 14.0 139.5 -4.0 64.6 3.2 53.7 95 96 A A S S+ 0 0 62 1,-0.3 2,-0.3 -21,-0.0 -25,-0.0 0.192 116.0 65.1-177.7 31.5 61.8 1.5 51.7 96 97 A L - 0 0 15 -29,-0.1 -3,-1.3 2,-0.0 2,-0.8 -0.857 62.6-146.0-163.2 117.1 58.5 2.9 52.9 97 98 A I E - D 0 92B 0 -2,-0.3 -31,-2.6 -5,-0.2 2,-0.5 -0.824 23.0-167.7 -88.0 110.0 57.1 6.4 52.8 98 99 A R E -CD 65 91B 96 -2,-0.8 -7,-2.6 -7,-0.8 2,-0.4 -0.870 4.0-167.7-102.1 128.7 55.1 6.9 56.0 99 100 A V E -CD 64 90B 2 -35,-3.2 -35,-2.0 -2,-0.5 2,-0.8 -0.932 17.7-154.0-123.7 131.6 52.8 10.0 56.2 100 101 A A E -CD 63 89B 40 -11,-2.4 -11,-1.9 -2,-0.4 -37,-0.2 -0.904 13.5-155.2 -99.4 107.2 50.9 11.6 59.0 101 102 A V - 0 0 20 -39,-0.9 -13,-0.1 -2,-0.8 -71,-0.1 -0.754 20.3-144.8 -75.8 114.1 47.9 13.4 57.7 102 103 A P - 0 0 59 0, 0.0 2,-0.2 0, 0.0 -1,-0.0 -0.078 25.0 -85.3 -71.1 177.2 47.2 16.1 60.3 103 104 A Q - 0 0 155 1,-0.1 2,-0.1 -74,-0.1 -74,-0.1 -0.526 52.3-100.8 -78.6 155.0 43.8 17.4 61.4 104 105 A L - 0 0 7 -2,-0.2 2,-0.3 -76,-0.2 -1,-0.1 -0.465 24.9-128.0 -77.5 146.6 42.3 20.2 59.3 105 106 A T > - 0 0 78 -2,-0.1 4,-2.3 1,-0.1 5,-0.2 -0.649 27.6-116.0 -80.7 149.3 42.3 23.8 60.3 106 107 A E H > S+ 0 0 134 -2,-0.3 4,-1.5 1,-0.2 -1,-0.1 0.757 116.6 55.0 -58.7 -19.4 38.8 25.4 60.2 107 108 A E H 4 S+ 0 0 128 2,-0.2 4,-0.3 1,-0.1 -1,-0.2 0.942 109.1 40.5 -79.1 -52.5 40.4 27.6 57.5 108 109 A R H >> S+ 0 0 72 2,-0.2 4,-1.8 1,-0.2 3,-0.7 0.832 113.0 60.2 -64.4 -31.2 41.6 25.0 55.1 109 110 A R H >X S+ 0 0 41 -4,-2.3 4,-2.3 1,-0.3 3,-0.6 0.974 105.1 44.4 -56.4 -60.2 38.4 23.0 55.8 110 111 A R H 3< S+ 0 0 127 -4,-1.5 4,-0.5 1,-0.3 -1,-0.3 0.450 108.3 60.1 -71.5 -2.0 36.1 25.7 54.5 111 112 A E H <> S+ 0 0 77 -3,-0.7 4,-1.9 -4,-0.3 -1,-0.3 0.800 106.2 47.1 -84.2 -38.6 38.5 26.2 51.6 112 113 A L H S+ 0 0 133 -4,-0.5 4,-2.1 1,-0.2 -2,-0.3 0.891 109.2 48.0 -71.3 -36.9 34.7 25.7 48.4 115 116 A Q H X S+ 0 0 105 -4,-1.9 4,-1.5 1,-0.2 -1,-0.2 0.764 111.5 54.6 -71.7 -15.3 36.6 23.5 46.0 116 117 A A H X S+ 0 0 0 -4,-1.9 4,-1.9 2,-0.2 -2,-0.2 0.868 107.9 45.7 -86.1 -37.8 33.9 20.8 46.5 117 118 A K H X S+ 0 0 96 -4,-1.8 4,-2.5 -5,-0.2 5,-0.2 0.940 113.4 52.6 -66.4 -46.2 31.0 23.1 45.6 118 119 A H H X S+ 0 0 102 -4,-2.1 4,-1.8 1,-0.2 -2,-0.2 0.879 107.3 50.4 -50.5 -46.7 33.0 24.2 42.6 119 120 A K H X S+ 0 0 30 -4,-1.5 4,-2.1 2,-0.2 -1,-0.2 0.901 113.0 46.3 -64.2 -41.3 33.6 20.6 41.5 120 121 A G H X S+ 0 0 1 -4,-1.9 4,-2.3 2,-0.2 -2,-0.2 0.872 107.7 56.6 -67.2 -38.3 29.9 19.8 41.7 121 122 A E H X S+ 0 0 115 -4,-2.5 4,-2.0 2,-0.2 -2,-0.2 0.872 109.9 45.7 -60.4 -39.5 28.9 23.0 39.9 122 123 A E H X S+ 0 0 48 -4,-1.8 4,-0.8 -5,-0.2 -2,-0.2 0.916 111.5 52.3 -69.3 -41.0 31.2 21.8 37.0 123 124 A A H X S+ 0 0 12 -4,-2.1 4,-1.2 2,-0.2 -2,-0.2 0.851 110.5 51.1 -60.3 -34.0 29.6 18.3 37.2 124 125 A K H >X S+ 0 0 21 -4,-2.3 4,-2.1 1,-0.2 3,-1.2 0.995 105.2 49.1 -73.2 -62.5 26.2 19.9 37.0 125 126 A V H 3X S+ 0 0 65 -4,-2.0 4,-1.5 1,-0.3 -1,-0.2 0.583 106.7 61.1 -56.8 -11.0 26.6 22.2 33.9 126 127 A S H 3X S+ 0 0 54 -4,-0.8 4,-1.4 2,-0.2 -1,-0.3 0.879 107.0 42.6 -76.4 -46.0 28.0 19.2 32.1 127 128 A V H S+ 0 0 76 -2,-1.2 4,-3.0 -3,-0.5 -2,-0.2 0.123 109.8 53.4-162.7 -46.6 17.9 16.9 18.4 138 139 A L H X S+ 0 0 0 -4,-2.4 4,-1.0 2,-0.2 -2,-0.2 0.923 110.0 52.0 -49.2 -50.1 14.5 16.1 19.6 139 140 A H H >X S+ 0 0 50 -4,-2.3 4,-2.0 -5,-0.3 3,-1.0 0.943 111.5 44.9 -56.3 -47.9 13.7 19.6 18.5 140 141 A R H 3> S+ 0 0 84 1,-0.2 4,-2.4 2,-0.2 5,-0.4 0.898 105.2 63.0 -61.6 -41.2 15.2 18.8 15.1 141 142 A I H 3<>S+ 0 0 10 -4,-3.0 5,-2.9 1,-0.2 6,-0.3 0.716 109.5 40.5 -54.0 -22.9 13.3 15.5 15.0 142 143 A R H <<5S+ 0 0 92 -3,-1.0 -1,-0.2 -4,-1.0 -2,-0.2 0.839 110.5 56.8 -99.6 -38.9 10.1 17.4 15.1 143 144 A K H <5S+ 0 0 178 -4,-2.0 -2,-0.2 1,-0.2 -3,-0.1 0.977 116.3 35.3 -44.4 -68.3 11.2 20.2 12.7 144 145 A E T <5S- 0 0 118 -4,-2.4 -1,-0.2 1,-0.0 -3,-0.1 0.434 116.4-127.6 -72.5 -1.6 12.1 17.6 9.9 145 146 A G T 5 + 0 0 50 -5,-0.4 -3,-0.2 1,-0.1 -4,-0.1 0.921 56.9 151.6 62.5 57.6 9.1 15.8 11.3 146 147 A E < + 0 0 114 -5,-2.9 2,-0.3 -6,-0.1 -4,-0.2 -0.065 67.4 27.8-108.5 25.0 10.5 12.3 11.9 147 148 A A S S- 0 0 25 -6,-0.3 -1,-0.1 -5,-0.2 -2,-0.0 -0.910 96.0 -78.9-173.6 164.5 8.1 11.7 14.7 148 149 A G >> - 0 0 39 -2,-0.3 4,-1.9 1,-0.2 3,-1.8 -0.268 37.2-125.9 -65.0 147.8 4.7 12.6 16.0 149 150 A E H 3> S+ 0 0 163 1,-0.3 4,-1.3 2,-0.2 -1,-0.2 0.831 116.4 55.8 -65.5 -20.1 4.6 15.9 17.7 150 151 A D H 34 S+ 0 0 118 2,-0.2 -1,-0.3 1,-0.2 4,-0.1 0.462 107.1 48.1 -81.7 -2.5 3.1 13.9 20.5 151 152 A E H <> S+ 0 0 103 -3,-1.8 4,-1.2 2,-0.1 -2,-0.2 0.773 110.8 47.9-110.7 -40.7 6.1 11.4 20.6 152 153 A V H X S+ 0 0 0 -4,-1.9 4,-1.9 2,-0.2 3,-0.3 0.929 110.9 51.4 -67.8 -45.6 8.8 14.0 20.7 153 154 A G H X S+ 0 0 27 -4,-1.3 4,-1.1 -5,-0.3 -1,-0.2 0.755 106.2 54.7 -67.1 -22.2 7.2 16.0 23.4 154 155 A R H > S+ 0 0 188 2,-0.2 4,-0.8 1,-0.2 -1,-0.3 0.862 110.7 45.9 -76.2 -36.1 6.8 12.9 25.5 155 156 A A H X S+ 0 0 13 -4,-1.2 4,-1.3 -3,-0.3 -2,-0.2 0.715 106.7 59.2 -77.8 -25.0 10.6 12.2 25.2 156 157 A E H X S+ 0 0 33 -4,-1.9 4,-2.0 2,-0.2 -1,-0.2 0.914 105.2 49.0 -64.7 -43.0 11.3 15.8 25.9 157 158 A K H X S+ 0 0 166 -4,-1.1 4,-1.2 1,-0.2 -2,-0.2 0.667 110.8 50.3 -73.6 -23.6 9.5 15.4 29.3 158 159 A D H X S+ 0 0 88 -4,-0.8 4,-2.2 2,-0.2 -1,-0.2 0.763 108.8 51.4 -80.6 -35.3 11.5 12.3 30.2 159 160 A L H X S+ 0 0 1 -4,-1.3 4,-2.6 2,-0.2 5,-0.3 0.958 107.5 52.8 -69.0 -45.3 14.7 13.9 29.4 160 161 A D H X S+ 0 0 65 -4,-2.0 4,-1.9 1,-0.3 -1,-0.2 0.884 112.5 46.1 -54.4 -44.3 13.8 16.8 31.6 161 162 A K H X S+ 0 0 57 -4,-1.2 4,-2.1 2,-0.2 -1,-0.3 0.840 113.0 47.2 -69.5 -38.9 13.1 14.3 34.4 162 163 A T H X S+ 0 0 22 -4,-2.2 4,-2.7 2,-0.2 5,-0.2 0.975 113.6 48.0 -71.1 -48.3 16.3 12.2 34.0 163 164 A T H X S+ 0 0 8 -4,-2.6 4,-2.6 1,-0.2 -2,-0.2 0.920 112.0 50.4 -50.1 -52.9 18.6 15.2 33.8 164 165 A H H X S+ 0 0 125 -4,-1.9 4,-1.5 -5,-0.3 -1,-0.2 0.888 109.2 50.8 -59.5 -43.6 16.9 16.6 36.8 165 166 A Q H X S+ 0 0 111 -4,-2.1 4,-1.6 1,-0.2 3,-0.5 0.943 112.3 47.1 -54.3 -50.8 17.4 13.3 38.7 166 167 A Y H X S+ 0 0 22 -4,-2.7 4,-1.8 1,-0.2 -2,-0.2 0.872 105.1 60.5 -68.6 -30.2 21.0 13.3 37.8 167 168 A V H X S+ 0 0 13 -4,-2.6 4,-1.0 1,-0.2 -1,-0.2 0.855 106.4 47.0 -63.8 -35.7 21.5 16.9 38.8 168 169 A T H X S+ 0 0 69 -4,-1.5 4,-2.5 -3,-0.5 -1,-0.2 0.753 102.4 61.8 -81.8 -23.0 20.4 16.1 42.4 169 170 A Q H X S+ 0 0 66 -4,-1.6 4,-2.4 2,-0.2 5,-0.2 0.983 107.9 47.5 -52.7 -49.9 22.7 13.1 42.6 170 171 A I H X S+ 0 0 1 -4,-1.8 4,-1.1 1,-0.3 -2,-0.2 0.794 110.5 48.9 -64.9 -33.2 25.4 15.7 42.1 171 172 A D H X S+ 0 0 86 -4,-1.0 4,-2.1 2,-0.2 -1,-0.3 0.878 111.8 51.8 -71.3 -33.7 23.9 17.9 44.7 172 173 A E H X S+ 0 0 96 -4,-2.5 4,-2.4 1,-0.2 -2,-0.2 0.977 107.0 50.9 -66.5 -52.6 23.7 14.9 47.1 173 174 A L H X S+ 0 0 29 -4,-2.4 4,-2.2 1,-0.2 -1,-0.2 0.830 111.9 46.8 -51.8 -44.5 27.3 13.9 46.7 174 175 A V H X S+ 0 0 11 -4,-1.1 4,-2.8 2,-0.2 -1,-0.2 0.943 110.1 52.0 -66.2 -50.5 28.5 17.3 47.4 175 176 A K H X S+ 0 0 131 -4,-2.1 4,-1.7 1,-0.2 -2,-0.2 0.829 111.5 49.3 -54.8 -37.2 26.3 17.8 50.4 176 177 A H H X S+ 0 0 98 -4,-2.4 4,-2.1 2,-0.2 -1,-0.2 0.931 111.5 47.3 -67.9 -44.4 27.7 14.5 51.7 177 178 A K H X S+ 0 0 15 -4,-2.2 4,-1.6 1,-0.2 -2,-0.2 0.825 110.1 55.3 -67.3 -30.5 31.3 15.6 51.0 178 179 A E H X S+ 0 0 55 -4,-2.8 4,-0.9 2,-0.2 -1,-0.2 0.907 110.4 42.6 -67.4 -45.1 30.5 18.9 52.7 179 180 A G H < S+ 0 0 43 -4,-1.7 -2,-0.2 2,-0.2 -1,-0.2 0.800 108.0 59.5 -77.0 -30.7 29.3 17.2 56.0 180 181 A E H >< S+ 0 0 92 -4,-2.1 3,-0.6 1,-0.2 -1,-0.2 0.930 107.9 48.3 -53.7 -46.9 32.1 14.8 55.9 181 182 A L H 3< S+ 0 0 0 -4,-1.6 -2,-0.2 1,-0.2 -1,-0.2 0.673 106.2 54.7 -66.0 -29.8 34.3 17.9 56.0 182 183 A L T 3< 0 0 108 -4,-0.9 -1,-0.2 -5,-0.1 -2,-0.1 -0.263 360.0 360.0-100.2 48.7 32.4 19.5 58.9 183 184 A E < 0 0 147 -3,-0.6 -3,-0.1 -2,-0.2 -2,-0.1 0.474 360.0 360.0 -21.1 360.0 33.0 16.3 61.0