==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=30-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER STRUCTURAL GENOMICS, UNKNOWN FUNCTION 04-JAN-06 2FKI . COMPND 2 MOLECULE: PROTEIN YJBR; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR K.K.SINGARAPU,G.LIU,R.XIAO,K.G.SHETTY,G.T.MONTELIONE, . 118 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 7957.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 90 76.3 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 . 24 20.3 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.8 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 1.7 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 . 19 16.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 10 8.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 37 31.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 0.8 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 1 2 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 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 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 ANTIPARALLEL BRIDGES PER LADDER . 0 0 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 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 55 0, 0.0 2,-0.5 0, 0.0 86,-0.2 0.000 360.0 360.0 360.0 169.7 -1.5 -12.5 9.8 2 2 A T >> - 0 0 73 1,-0.1 4,-1.3 4,-0.0 3,-0.7 -0.765 360.0-154.6 -96.2 130.1 -5.0 -12.0 8.5 3 3 A I H 3> S+ 0 0 24 -2,-0.5 4,-3.5 1,-0.2 5,-0.3 0.741 89.2 77.9 -70.7 -22.1 -5.6 -9.3 5.9 4 4 A S H 3> S+ 0 0 92 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.913 102.7 34.5 -51.7 -47.8 -9.2 -9.1 7.1 5 5 A E H <> S+ 0 0 126 -3,-0.7 4,-2.3 2,-0.2 -1,-0.2 0.862 115.9 56.5 -78.0 -35.4 -8.1 -7.1 10.1 6 6 A L H X S+ 0 0 14 -4,-1.3 4,-1.5 2,-0.2 -2,-0.2 0.909 106.9 49.9 -60.9 -43.5 -5.4 -5.2 8.2 7 7 A L H X S+ 0 0 48 -4,-3.5 4,-1.1 2,-0.2 3,-0.3 0.922 110.4 48.9 -62.8 -46.0 -7.9 -4.0 5.6 8 8 A Q H < S+ 0 0 142 -4,-1.4 3,-0.4 -5,-0.3 4,-0.4 0.878 108.2 55.3 -61.8 -37.3 -10.3 -2.8 8.4 9 9 A Y H >< S+ 0 0 86 -4,-2.3 3,-0.9 1,-0.2 -1,-0.2 0.831 102.4 56.5 -63.9 -32.6 -7.3 -1.0 9.9 10 10 A C H >< S+ 0 0 8 -4,-1.5 3,-1.0 -3,-0.3 -1,-0.2 0.794 102.1 56.1 -68.7 -26.9 -6.7 0.7 6.6 11 11 A M T 3< S+ 0 0 102 -4,-1.1 -1,-0.3 -3,-0.4 -2,-0.2 0.575 95.4 66.8 -80.1 -10.1 -10.2 2.0 6.8 12 12 A A T < S+ 0 0 71 -3,-0.9 -1,-0.2 -4,-0.4 -2,-0.2 0.423 79.0 97.4 -88.2 -0.9 -9.3 3.6 10.2 13 13 A K S X S- 0 0 25 -3,-1.0 3,-1.9 3,-0.1 2,-0.3 -0.825 86.4-117.9 -90.4 117.3 -7.0 5.9 8.3 14 14 A P T 3 S+ 0 0 46 0, 0.0 3,-0.1 0, 0.0 -2,-0.1 -0.375 96.1 19.8 -62.8 113.2 -8.8 9.2 7.8 15 15 A G T 3 S+ 0 0 35 -2,-0.3 2,-0.5 1,-0.3 -4,-0.1 0.247 91.6 121.0 116.4 -10.1 -9.2 10.0 4.1 16 16 A A < + 0 0 22 -3,-1.9 -1,-0.3 -6,-0.2 2,-0.3 -0.746 34.3 177.1 -93.7 127.1 -8.8 6.5 2.8 17 17 A E E -A 30 0A 119 13,-2.0 13,-1.6 -2,-0.5 2,-0.6 -0.903 32.0-109.3-124.3 156.1 -11.6 4.9 0.7 18 18 A Q E -A 29 0A 79 -2,-0.3 2,-0.6 11,-0.2 11,-0.2 -0.746 26.8-172.4 -90.0 121.0 -11.8 1.5 -1.0 19 19 A S E -A 28 0A 32 9,-2.7 9,-3.6 -2,-0.6 2,-0.5 -0.920 10.9-161.0-112.2 104.7 -11.7 1.6 -4.8 20 20 A V E -A 27 0A 92 -2,-0.6 2,-0.8 7,-0.2 7,-0.2 -0.742 9.2-148.2 -92.0 125.3 -12.4 -1.9 -6.1 21 21 A H E >> -A 26 0A 99 5,-3.0 2,-2.1 -2,-0.5 5,-0.9 -0.835 18.9-136.5 -91.3 111.1 -11.4 -2.7 -9.7 22 22 A N T 45S+ 0 0 144 -2,-0.8 -1,-0.0 1,-0.2 5,-0.0 -0.458 81.4 76.9 -77.8 79.0 -13.9 -5.2 -10.9 23 23 A D T 45S- 0 0 118 -2,-2.1 -1,-0.2 3,-0.0 -3,-0.0 0.273 122.9 -9.7-136.9 -69.1 -11.7 -7.7 -12.8 24 24 A W T 45S- 0 0 129 -3,-0.5 17,-0.2 2,-0.0 -2,-0.1 0.028 105.4-100.3-119.3 21.1 -9.9 -9.8 -10.2 25 25 A K T <5 - 0 0 153 -4,-0.8 2,-0.4 1,-0.2 16,-0.2 0.838 54.3-180.0 62.2 40.3 -11.2 -7.5 -7.4 26 26 A A E < -A 21 0A 9 -5,-0.9 -5,-3.0 14,-0.1 2,-0.6 -0.583 18.4-145.5 -67.6 120.9 -8.0 -5.6 -7.0 27 27 A T E -AB 20 39A 24 12,-2.6 12,-2.5 -2,-0.4 2,-0.6 -0.832 8.2-157.0-100.7 117.6 -8.7 -3.1 -4.3 28 28 A Q E -AB 19 38A 46 -9,-3.6 -9,-2.7 -2,-0.6 2,-0.8 -0.811 3.3-154.6 -94.1 122.0 -7.0 0.3 -4.5 29 29 A I E +AB 18 37A 19 8,-2.1 8,-1.2 -2,-0.6 7,-1.0 -0.857 41.8 127.3 -97.6 108.0 -6.7 2.2 -1.3 30 30 A K E -AB 17 35A 36 -13,-1.6 -13,-2.0 -2,-0.8 5,-0.2 -0.946 51.8-118.6-153.6 168.4 -6.5 5.9 -2.1 31 31 A V S S- 0 0 25 3,-1.7 -1,-0.1 -2,-0.3 -15,-0.1 0.194 76.1 -40.1 -89.0-146.3 -7.9 9.3 -1.5 32 32 A E S S- 0 0 130 1,-0.2 3,-0.0 -17,-0.1 -2,-0.0 0.905 129.3 -30.0 -49.2 -51.9 -9.7 11.6 -4.0 33 33 A D S S+ 0 0 142 1,-0.0 2,-0.7 0, 0.0 -1,-0.2 0.189 111.3 107.6-154.2 18.4 -7.2 10.7 -6.8 34 34 A V - 0 0 40 2,-0.0 -3,-1.7 69,-0.0 2,-0.6 -0.878 48.1-165.8-108.3 106.5 -3.9 9.9 -5.0 35 35 A L E +B 30 0A 25 -2,-0.7 -5,-0.2 -5,-0.2 3,-0.1 -0.814 21.9 158.5 -94.8 121.1 -3.1 6.2 -5.0 36 36 A F E + 0 0 13 -7,-1.0 15,-2.6 -2,-0.6 2,-0.3 0.687 67.8 7.2-110.8 -29.3 -0.4 5.2 -2.5 37 37 A A E -BC 29 50A 6 -8,-1.2 -8,-2.1 13,-0.3 -1,-0.4 -0.988 55.7-170.2-156.6 144.1 -1.1 1.4 -2.1 38 38 A M E -BC 28 49A 18 11,-2.4 11,-3.6 -2,-0.3 2,-0.4 -0.999 15.3-141.6-140.3 136.2 -3.4 -1.2 -3.5 39 39 A V E +BC 27 48A 11 -12,-2.5 -12,-2.6 -2,-0.4 2,-0.3 -0.805 24.5 166.0-102.4 134.5 -4.1 -4.8 -2.3 40 40 A K - 0 0 6 7,-3.1 2,-0.7 -2,-0.4 -14,-0.1 -0.912 29.5-136.8-150.2 119.8 -4.6 -7.7 -4.8 41 41 A E + 0 0 81 -2,-0.3 2,-0.4 -17,-0.2 3,-0.2 -0.668 27.5 177.4 -83.1 114.5 -4.5 -11.4 -4.0 42 42 A V B > S+E 45 0B 35 3,-1.9 3,-2.0 -2,-0.7 -2,-0.1 -0.921 71.7 15.2-117.5 143.4 -2.5 -13.3 -6.6 43 43 A E T 3 S- 0 0 122 -2,-0.4 -1,-0.2 1,-0.3 -2,-0.0 0.646 130.7 -74.2 66.3 15.5 -1.9 -17.1 -6.3 44 44 A N T 3 S+ 0 0 151 1,-0.3 -1,-0.3 -3,-0.2 -3,-0.1 0.544 113.3 122.2 67.6 11.5 -4.8 -16.7 -3.8 45 45 A R B < S-E 42 0B 73 -3,-2.0 -3,-1.9 -5,-0.1 -1,-0.3 -0.873 72.6-105.9-106.8 133.5 -2.0 -15.2 -1.6 46 46 A P + 0 0 21 0, 0.0 38,-2.8 0, 0.0 37,-1.0 -0.292 44.8 170.0 -57.2 134.5 -2.3 -11.6 -0.3 47 47 A A E - D 0 82A 0 35,-0.3 -7,-3.1 36,-0.2 2,-0.4 -0.935 16.4-159.5-152.9 127.6 -0.1 -9.1 -2.0 48 48 A V E -CD 39 81A 23 33,-2.3 33,-3.4 -2,-0.3 2,-0.6 -0.870 6.0-151.4-114.9 136.8 -0.0 -5.3 -1.7 49 49 A S E -CD 38 80A 0 -11,-3.6 -11,-2.4 -2,-0.4 31,-0.3 -0.932 14.6-169.8-111.1 115.8 1.4 -2.9 -4.3 50 50 A L E -CD 37 79A 3 29,-3.0 29,-2.8 -2,-0.6 -13,-0.3 -0.681 24.2-111.9 -99.0 156.0 2.8 0.4 -3.0 51 51 A K E - D 0 78A 99 -15,-2.6 27,-0.2 -2,-0.3 5,-0.1 -0.349 66.9 -48.2 -78.4 167.7 3.8 3.4 -5.0 52 52 A T S S+ 0 0 87 25,-1.2 -1,-0.2 -2,-0.1 26,-0.1 -0.104 73.2 174.1 -43.0 111.8 7.5 4.5 -5.2 53 53 A S > - 0 0 1 1,-0.2 4,-2.7 -3,-0.1 5,-0.3 -0.979 36.4-131.6-129.7 139.0 8.6 4.6 -1.6 54 54 A P H > S+ 0 0 77 0, 0.0 4,-2.5 0, 0.0 -1,-0.2 0.955 107.5 35.9 -50.3 -63.9 12.1 5.2 -0.1 55 55 A E H > S+ 0 0 107 1,-0.2 4,-2.4 2,-0.2 5,-0.1 0.834 116.2 55.4 -64.7 -34.3 12.3 2.2 2.3 56 56 A L H > S+ 0 0 10 2,-0.2 4,-0.8 1,-0.2 -1,-0.2 0.908 113.1 41.1 -65.8 -41.5 10.4 -0.1 -0.1 57 57 A A H X S+ 0 0 24 -4,-2.7 4,-1.1 2,-0.2 3,-0.4 0.846 112.2 56.9 -72.3 -34.6 12.9 0.6 -2.9 58 58 A E H X S+ 0 0 75 -4,-2.5 4,-3.0 -5,-0.3 3,-0.4 0.888 98.2 61.1 -61.1 -41.4 15.7 0.3 -0.3 59 59 A L H X S+ 0 0 50 -4,-2.4 4,-1.9 1,-0.2 -1,-0.2 0.855 102.7 52.2 -52.7 -37.6 14.5 -3.1 0.6 60 60 A L H < S+ 0 0 60 -4,-0.8 -1,-0.2 -3,-0.4 -2,-0.2 0.825 113.4 43.0 -71.1 -34.0 15.2 -4.2 -3.0 61 61 A R H < S+ 0 0 153 -4,-1.1 -2,-0.2 -3,-0.4 -1,-0.2 0.942 124.0 33.3 -75.6 -49.6 18.7 -2.8 -2.9 62 62 A Q H < S+ 0 0 130 -4,-3.0 2,-0.3 -5,-0.1 -3,-0.2 0.948 123.8 35.4 -76.5 -51.6 19.7 -4.1 0.6 63 63 A Q S < S- 0 0 129 -4,-1.9 2,-0.3 -5,-0.4 -1,-0.0 -0.736 70.6-166.2-108.0 154.6 17.8 -7.4 0.7 64 64 A H - 0 0 128 -2,-0.3 3,-0.1 4,-0.0 -3,-0.1 -0.938 42.4 -0.4-139.6 158.5 17.0 -9.8 -2.1 65 65 A S S > S+ 0 0 97 -2,-0.3 2,-1.8 1,-0.2 3,-1.1 -0.109 86.4 80.0 62.8-163.9 14.8 -12.8 -3.0 66 66 A D T 3 S+ 0 0 154 1,-0.3 -1,-0.2 2,-0.1 -3,-0.0 -0.417 107.4 31.7 72.4 -81.3 12.3 -14.2 -0.5 67 67 A V T 3 S- 0 0 28 -2,-1.8 15,-0.4 -3,-0.1 -1,-0.3 0.832 101.8-148.1 -75.9 -31.9 9.4 -11.8 -0.8 68 68 A R < - 0 0 172 -3,-1.1 2,-0.9 1,-0.2 14,-0.1 0.983 8.3-140.7 62.2 88.6 10.4 -11.2 -4.5 69 69 A P - 0 0 39 0, 0.0 2,-0.2 0, 0.0 -1,-0.2 -0.711 40.3-179.7 -70.7 106.8 9.6 -7.7 -5.8 70 70 A S - 0 0 15 -2,-0.9 2,-1.1 10,-0.3 3,-0.4 -0.634 38.7-110.1-117.1 168.9 8.4 -8.7 -9.2 71 71 A R + 0 0 196 -2,-0.2 4,-0.1 1,-0.2 8,-0.0 -0.631 67.2 123.8-101.0 72.9 7.1 -7.1 -12.4 72 72 A H S S- 0 0 117 -2,-1.1 -1,-0.2 2,-0.1 3,-0.0 0.690 100.0 -2.8 -94.9 -28.1 3.4 -8.1 -12.4 73 73 A L S S- 0 0 79 -3,-0.4 2,-0.2 5,-0.0 -2,-0.1 0.593 136.2 -33.6-121.3 -66.0 2.4 -4.5 -12.6 74 74 A N > - 0 0 55 -4,-0.3 4,-0.7 1,-0.1 -2,-0.1 -0.807 46.0-166.5-166.1 120.3 5.5 -2.3 -12.4 75 75 A K T 4 S+ 0 0 106 -2,-0.2 -4,-0.1 2,-0.2 5,-0.1 0.749 89.7 35.5 -86.3 -26.9 8.6 -3.1 -10.5 76 76 A A T 4 S+ 0 0 80 1,-0.1 -1,-0.1 3,-0.1 3,-0.1 0.754 125.3 37.5 -98.9 -30.4 10.4 0.3 -10.6 77 77 A H T 4 S+ 0 0 118 -25,-0.1 -25,-1.2 -26,-0.1 2,-0.3 0.692 129.2 25.6 -93.5 -21.8 7.4 2.6 -10.4 78 78 A W E < S-D 51 0A 53 -4,-0.7 2,-0.4 -27,-0.2 -27,-0.2 -0.839 70.2-141.0-131.2 168.7 5.5 0.4 -8.0 79 79 A S E -D 50 0A 18 -29,-2.8 -29,-3.0 -2,-0.3 2,-0.7 -0.977 8.6-156.3-136.9 125.8 6.5 -2.2 -5.4 80 80 A T E -D 49 0A 9 -2,-0.4 2,-0.7 -10,-0.3 -10,-0.3 -0.883 5.7-163.2-106.5 114.6 4.6 -5.4 -4.8 81 81 A V E -D 48 0A 9 -33,-3.4 -33,-2.3 -2,-0.7 2,-1.2 -0.863 16.7-138.5 -98.1 115.0 5.0 -7.0 -1.3 82 82 A Y E -D 47 0A 13 -2,-0.7 -35,-0.3 -15,-0.4 3,-0.2 -0.636 22.2-179.8 -72.0 99.6 3.9 -10.6 -1.2 83 83 A L > + 0 0 5 -2,-1.2 2,-3.5 -37,-1.0 4,-1.2 0.883 12.3 170.0 -69.0 -40.0 2.1 -10.6 2.2 84 84 A D T 4 - 0 0 53 -38,-2.8 -1,-0.2 1,-0.2 -37,-0.1 -0.216 58.0 -93.6 68.4 -57.3 1.3 -14.3 1.6 85 85 A G T 4 S+ 0 0 34 -2,-3.5 -1,-0.2 -3,-0.2 -2,-0.1 -0.096 118.0 76.1 135.2 -33.9 0.1 -15.0 5.1 86 86 A S T 4 S+ 0 0 104 -3,-0.1 -2,-0.1 2,-0.1 -3,-0.1 0.462 71.8 106.0 -85.7 -3.4 3.3 -16.1 6.7 87 87 A L S < S- 0 0 37 -4,-1.2 2,-0.1 -86,-0.2 -4,-0.0 -0.619 80.2-107.4 -79.8 136.6 4.6 -12.6 6.9 88 88 A P >> - 0 0 66 0, 0.0 4,-1.3 0, 0.0 3,-0.5 -0.326 12.3-135.6 -66.7 142.2 4.5 -11.0 10.4 89 89 A D H 3> S+ 0 0 67 1,-0.2 4,-2.5 2,-0.2 5,-0.3 0.817 98.7 73.4 -65.2 -30.2 1.9 -8.3 11.2 90 90 A S H 3> S+ 0 0 89 1,-0.2 4,-1.0 2,-0.2 -1,-0.2 0.893 103.4 37.0 -51.1 -48.4 4.7 -6.2 12.8 91 91 A Q H <> S+ 0 0 85 -3,-0.5 4,-1.8 1,-0.2 -1,-0.2 0.892 113.1 57.9 -73.3 -40.4 6.3 -5.3 9.5 92 92 A I H X S+ 0 0 5 -4,-1.3 4,-2.0 1,-0.2 -2,-0.2 0.898 102.4 52.5 -61.6 -45.1 3.0 -4.9 7.6 93 93 A Y H X S+ 0 0 79 -4,-2.5 4,-1.8 1,-0.2 -1,-0.2 0.901 109.7 50.2 -58.4 -41.2 1.5 -2.3 9.9 94 94 A Y H X S+ 0 0 163 -4,-1.0 4,-1.8 -5,-0.3 -1,-0.2 0.872 108.0 53.0 -66.0 -37.9 4.6 -0.1 9.5 95 95 A L H X S+ 0 0 26 -4,-1.8 4,-2.0 2,-0.2 5,-0.2 0.886 106.2 54.0 -65.2 -39.2 4.4 -0.4 5.7 96 96 A V H X S+ 0 0 23 -4,-2.0 4,-2.4 1,-0.2 -2,-0.2 0.955 112.1 41.9 -60.7 -52.4 0.8 0.7 5.7 97 97 A D H X S+ 0 0 53 -4,-1.8 4,-3.1 1,-0.2 -1,-0.2 0.808 108.6 62.6 -66.8 -29.0 1.5 3.9 7.6 98 98 A A H X S+ 0 0 19 -4,-1.8 4,-1.5 2,-0.2 -1,-0.2 0.951 111.7 35.4 -59.4 -50.6 4.7 4.4 5.6 99 99 A S H X S+ 0 0 1 -4,-2.0 4,-2.0 2,-0.2 -2,-0.2 0.850 116.5 56.1 -71.6 -34.5 2.7 4.8 2.4 100 100 A Y H X S+ 0 0 45 -4,-2.4 4,-1.7 -5,-0.2 -2,-0.2 0.907 105.0 51.7 -63.8 -43.2 -0.1 6.5 4.2 101 101 A Q H X S+ 0 0 102 -4,-3.1 4,-1.8 1,-0.2 -1,-0.2 0.923 108.4 52.5 -58.7 -44.6 2.3 9.2 5.5 102 102 A Q H X S+ 0 0 37 -4,-1.5 4,-1.8 1,-0.2 -1,-0.2 0.902 104.7 55.5 -58.4 -44.4 3.5 9.8 1.9 103 103 A A H < S+ 0 0 3 -4,-2.0 4,-0.5 1,-0.2 -1,-0.2 0.905 106.8 49.7 -57.2 -44.7 -0.0 10.3 0.7 104 104 A V H >< S+ 0 0 27 -4,-1.7 3,-0.9 1,-0.2 -1,-0.2 0.883 110.5 50.5 -62.8 -38.7 -0.7 13.0 3.2 105 105 A N H 3< S+ 0 0 83 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.808 107.8 54.0 -68.8 -29.5 2.6 14.8 2.2 106 106 A L T 3< S+ 0 0 114 -4,-1.8 -1,-0.2 -5,-0.2 -2,-0.2 0.500 90.4 98.2 -84.5 -5.2 1.6 14.5 -1.5 107 107 A L S < S- 0 0 15 -3,-0.9 -3,-0.0 -4,-0.5 5,-0.0 -0.662 76.0-119.8 -86.7 137.9 -1.7 16.3 -0.8 108 108 A P > - 0 0 74 0, 0.0 4,-2.5 0, 0.0 5,-0.2 -0.074 38.0 -89.2 -64.0 175.0 -2.1 20.0 -1.5 109 109 A E H > S+ 0 0 121 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.917 125.7 53.5 -54.9 -51.5 -3.0 22.6 1.2 110 110 A E H > S+ 0 0 122 1,-0.2 4,-0.9 2,-0.2 -1,-0.2 0.894 112.9 43.2 -48.8 -49.5 -6.7 22.2 0.7 111 111 A K H >> S+ 0 0 43 1,-0.2 4,-1.5 2,-0.2 3,-0.6 0.923 112.5 50.6 -69.3 -47.1 -6.6 18.4 1.1 112 112 A R H 3X S+ 0 0 106 -4,-2.5 4,-1.7 1,-0.2 -1,-0.2 0.889 103.3 60.2 -59.8 -41.4 -4.3 18.3 4.1 113 113 A K H 3X S+ 0 0 125 -4,-2.5 4,-0.6 1,-0.2 -1,-0.2 0.829 105.3 50.3 -56.7 -34.3 -6.3 20.9 6.0 114 114 A L H XX S+ 0 0 100 -4,-0.9 3,-1.1 -3,-0.6 4,-0.8 0.931 107.6 50.1 -70.4 -47.6 -9.3 18.5 5.9 115 115 A L H 3< S+ 0 0 32 -4,-1.5 3,-0.3 1,-0.3 -2,-0.2 0.777 101.6 63.9 -65.8 -26.9 -7.4 15.4 7.1 116 116 A V H 3< S+ 0 0 112 -4,-1.7 -1,-0.3 1,-0.2 -2,-0.2 0.807 99.9 53.9 -66.2 -28.5 -6.1 17.4 10.1 117 117 A Q H << 0 0 162 -3,-1.1 -1,-0.2 -4,-0.6 -2,-0.2 0.796 360.0 360.0 -75.4 -28.9 -9.7 17.8 11.3 118 118 A L < 0 0 144 -4,-0.8 -2,-0.2 -3,-0.3 -3,-0.1 0.989 360.0 360.0 -80.3 360.0 -10.4 14.0 11.3