==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=12-JUL-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TOXIN 07-JUN-12 4AX2 . COMPND 2 MOLECULE: RAP1B; . SOURCE 2 ORGANISM_SCIENTIFIC: SERRATIA MARCESCENS; . AUTHOR G.ENGLISH,K.TRUNK,V.A.RAO,V.SRIKANNATHASAN,M.J.FRITSCH,M.GUO . 124 2 1 0 1 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8525.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 91 73.4 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 . 4 3.2 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 . 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 . 7 5.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 18 14.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 58 46.8 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 1 1 0 0 0 1 1 0 0 1 0 1 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 . 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 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 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 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 24 A Q 0 0 243 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 134.2 -20.7 17.2 -13.0 2 25 A G - 0 0 80 1,-0.2 0, 0.0 2,-0.0 0, 0.0 0.755 360.0-179.9 68.0 26.1 -22.6 20.1 -14.5 3 26 A H - 0 0 164 1,-0.1 -1,-0.2 0, 0.0 2,-0.1 -0.188 26.7-110.6 -61.4 149.0 -20.4 22.5 -12.6 4 27 A M - 0 0 175 1,-0.1 -1,-0.1 0, 0.0 -2,-0.0 -0.357 40.4 -87.8 -80.0 160.0 -20.9 26.3 -12.9 5 28 A A - 0 0 81 1,-0.1 -1,-0.1 -2,-0.1 0, 0.0 -0.163 54.4 -85.0 -63.6 159.4 -18.4 28.6 -14.7 6 29 A P - 0 0 126 0, 0.0 2,-0.5 0, 0.0 -1,-0.1 -0.261 43.1-105.6 -63.2 154.1 -15.4 30.2 -12.9 7 30 A I - 0 0 128 1,-0.1 0, 0.0 3,-0.0 0, 0.0 -0.747 25.8-157.9 -83.2 122.7 -15.8 33.4 -10.9 8 31 A Q S S+ 0 0 179 -2,-0.5 -1,-0.1 1,-0.3 0, 0.0 0.938 85.3 21.0 -72.8 -54.1 -14.2 36.4 -12.8 9 32 A D S > S- 0 0 111 1,-0.1 3,-1.5 2,-0.0 4,-0.3 -0.854 71.0-173.0-113.7 96.7 -13.6 38.8 -9.9 10 33 A P T 3 S+ 0 0 86 0, 0.0 3,-0.3 0, 0.0 -1,-0.1 0.757 83.9 42.6 -56.9 -28.4 -13.6 36.7 -6.7 11 34 A V T >> S+ 0 0 37 1,-0.2 4,-2.2 2,-0.1 3,-1.1 0.283 74.3 111.4-108.7 13.7 -13.4 39.7 -4.4 12 35 A A H <> S+ 0 0 44 -3,-1.5 4,-0.9 1,-0.3 -1,-0.2 0.891 81.3 53.0 -47.8 -42.4 -15.9 42.0 -6.1 13 36 A F H 34 S+ 0 0 109 -4,-0.3 -1,-0.3 -3,-0.3 4,-0.1 0.795 108.8 48.4 -69.9 -25.6 -18.2 41.6 -3.1 14 37 A I H X4 S+ 0 0 1 -3,-1.1 3,-1.6 1,-0.2 105,-0.4 0.861 104.4 59.6 -76.0 -39.0 -15.4 42.6 -0.7 15 38 A K H 3< S+ 0 0 44 -4,-2.2 105,-2.4 1,-0.3 106,-0.3 0.701 103.4 52.7 -66.2 -21.2 -14.5 45.7 -2.7 16 39 A Q T 3< S+ 0 0 137 -4,-0.9 -1,-0.3 -5,-0.2 -2,-0.2 0.487 92.4 98.2 -89.2 -6.6 -18.0 47.0 -2.2 17 40 A M S < S- 0 0 30 -3,-1.6 102,-0.5 -4,-0.1 103,-0.1 -0.564 84.3-105.8 -82.8 146.1 -18.0 46.6 1.6 18 41 A P B >> -A 118 0A 43 0, 0.0 4,-1.3 0, 0.0 3,-1.2 -0.450 39.4-113.8 -60.0 143.3 -17.2 49.3 4.1 19 42 A Y H 3> S+ 0 0 5 98,-2.7 4,-1.8 1,-0.3 97,-0.2 0.800 114.2 61.6 -52.4 -37.8 -13.7 48.7 5.4 20 43 A H H 3> S+ 0 0 24 95,-2.0 4,-1.3 1,-0.2 -1,-0.3 0.897 103.9 51.4 -59.9 -35.9 -14.9 47.9 9.0 21 44 A Q H <> S+ 0 0 40 -3,-1.2 4,-2.1 94,-0.3 -1,-0.2 0.885 103.4 57.4 -65.3 -38.5 -16.9 45.0 7.5 22 45 A V H X S+ 0 0 1 -4,-1.3 4,-2.1 1,-0.2 -1,-0.2 0.890 103.2 54.3 -59.0 -39.1 -13.8 43.7 5.7 23 46 A V H X S+ 0 0 0 -4,-1.8 4,-2.6 1,-0.2 -1,-0.2 0.895 107.2 51.0 -59.8 -42.2 -12.0 43.4 9.0 24 47 A K H X S+ 0 0 22 -4,-1.3 4,-2.8 2,-0.2 -2,-0.2 0.884 107.3 53.1 -64.7 -37.8 -14.9 41.3 10.3 25 48 A E H X S+ 0 0 26 -4,-2.1 4,-2.4 2,-0.2 -1,-0.2 0.896 110.5 47.9 -61.8 -41.7 -14.6 39.0 7.3 26 49 A L H X S+ 0 0 0 -4,-2.1 4,-2.7 2,-0.2 5,-0.2 0.949 112.7 48.5 -62.2 -47.9 -10.9 38.6 8.1 27 50 A A H X S+ 0 0 1 -4,-2.6 4,-2.3 1,-0.2 -2,-0.2 0.911 113.3 46.2 -60.2 -46.5 -11.7 37.9 11.7 28 51 A L H X S+ 0 0 27 -4,-2.8 4,-2.7 2,-0.2 -1,-0.2 0.944 113.2 49.2 -59.9 -50.4 -14.5 35.3 10.9 29 52 A S H X S+ 0 0 18 -4,-2.4 4,-2.2 1,-0.2 -2,-0.2 0.912 113.7 45.7 -60.0 -44.0 -12.3 33.5 8.3 30 53 A R H X S+ 0 0 21 -4,-2.7 4,-2.3 2,-0.2 -1,-0.2 0.889 109.9 54.0 -69.0 -36.0 -9.3 33.3 10.7 31 54 A a H X S+ 0 0 0 -4,-2.3 4,-1.9 -5,-0.2 -2,-0.2 0.954 109.8 48.7 -58.7 -46.6 -11.5 32.1 13.6 32 55 A L H X S+ 0 0 41 -4,-2.7 4,-0.6 1,-0.2 -2,-0.2 0.899 110.0 51.7 -61.9 -41.9 -12.8 29.4 11.3 33 56 A A H >< S+ 0 0 7 -4,-2.2 3,-0.6 1,-0.2 -1,-0.2 0.889 111.5 47.9 -57.0 -41.3 -9.1 28.5 10.3 34 57 A Q H 3< S+ 0 0 66 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.797 110.4 49.3 -76.7 -27.3 -8.2 28.2 14.0 35 58 A V H 3< S+ 0 0 37 -4,-1.9 -1,-0.2 -5,-0.2 2,-0.2 0.455 105.8 65.9 -92.2 -0.6 -11.1 26.1 15.1 36 59 A S S << S- 0 0 32 -3,-0.6 2,-0.6 -4,-0.6 3,-0.0 -0.503 109.6 -64.3-110.4-178.1 -10.7 23.5 12.3 37 60 A D > - 0 0 117 -2,-0.2 3,-1.6 1,-0.2 6,-0.5 -0.563 38.5-151.3 -75.4 115.6 -7.7 21.1 11.8 38 61 A S T 3 S+ 0 0 96 -2,-0.6 -1,-0.2 1,-0.3 -3,-0.0 0.819 98.5 54.4 -53.9 -31.7 -4.5 23.3 11.1 39 62 A D T 3 S+ 0 0 155 4,-0.1 2,-0.3 -3,-0.0 -1,-0.3 -0.099 97.1 91.1 -93.0 34.2 -3.2 20.3 9.1 40 63 A K S <> S- 0 0 93 -3,-1.6 4,-1.8 1,-0.1 5,-0.2 -0.890 81.7-118.5-128.0 162.5 -6.3 20.2 6.8 41 64 A A H > S+ 0 0 78 -2,-0.3 4,-2.3 1,-0.2 5,-0.1 0.873 110.8 53.1 -67.3 -40.3 -7.3 21.7 3.5 42 65 A F H > S+ 0 0 96 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.959 108.5 48.3 -60.4 -54.1 -10.3 23.6 5.0 43 66 A S H > S+ 0 0 8 -6,-0.5 4,-2.3 1,-0.2 -1,-0.2 0.898 113.5 48.5 -52.5 -43.0 -8.3 25.3 7.7 44 67 A L H X S+ 0 0 76 -4,-1.8 4,-2.5 -7,-0.2 -1,-0.2 0.903 110.2 51.3 -66.1 -41.2 -5.7 26.4 5.2 45 68 A D H X S+ 0 0 101 -4,-2.3 4,-2.2 1,-0.2 -2,-0.2 0.936 111.5 47.4 -58.5 -48.3 -8.3 27.7 2.8 46 69 A A H X S+ 0 0 5 -4,-2.6 4,-2.5 2,-0.2 -2,-0.2 0.874 111.4 51.5 -62.5 -41.3 -9.9 29.8 5.6 47 70 A A H X S+ 0 0 28 -4,-2.3 4,-2.8 -5,-0.2 -2,-0.2 0.938 111.8 46.0 -61.0 -48.2 -6.4 31.1 6.7 48 71 A R H X S+ 0 0 163 -4,-2.5 4,-2.3 2,-0.2 -2,-0.2 0.859 111.3 52.4 -65.5 -37.8 -5.5 32.2 3.2 49 72 A T H X S+ 0 0 55 -4,-2.2 4,-1.1 -5,-0.2 -1,-0.2 0.934 111.2 47.9 -61.0 -46.8 -9.0 33.8 2.7 50 73 A A H >X S+ 0 0 0 -4,-2.5 3,-1.0 1,-0.2 4,-0.5 0.959 113.5 46.7 -56.3 -52.6 -8.4 35.8 5.9 51 74 A N H >< S+ 0 0 63 -4,-2.8 3,-1.2 1,-0.3 4,-0.3 0.877 106.7 58.0 -61.0 -38.1 -5.0 36.9 4.9 52 75 A A H >< S+ 0 0 50 -4,-2.3 3,-1.3 1,-0.3 4,-0.3 0.744 91.8 71.4 -65.3 -24.6 -6.1 37.9 1.4 53 76 A M H X< S+ 0 0 13 -4,-1.1 3,-1.8 -3,-1.0 -1,-0.3 0.801 83.1 70.2 -60.4 -33.1 -8.7 40.3 2.9 54 77 A R G X< S+ 0 0 91 -3,-1.2 3,-1.1 -4,-0.5 5,-0.4 0.769 86.3 66.3 -61.0 -24.5 -5.9 42.6 4.0 55 78 A E G < S+ 0 0 141 -3,-1.3 -1,-0.3 -4,-0.3 -2,-0.2 0.777 99.9 52.4 -64.7 -22.7 -5.2 43.6 0.3 56 79 A W G < S+ 0 0 32 -3,-1.8 -1,-0.2 -4,-0.3 63,-0.2 0.186 108.1 47.4-107.9 16.8 -8.6 45.3 0.1 57 80 A M S < S- 0 0 12 -3,-1.1 2,-2.3 -4,-0.1 61,-0.0 -0.992 82.7-112.5-152.7 150.2 -8.5 47.6 3.1 58 81 A P + 0 0 48 0, 0.0 54,-2.7 0, 0.0 2,-0.2 -0.443 57.5 176.3 -80.3 68.7 -6.1 50.1 4.7 59 82 A F B -B 111 0B 24 -2,-2.3 2,-1.3 -5,-0.4 52,-0.2 -0.446 39.0-124.1 -81.8 145.8 -5.6 47.8 7.6 60 83 A D > + 0 0 62 50,-2.1 4,-2.7 1,-0.2 5,-0.2 -0.702 38.2 173.9 -91.2 90.7 -3.2 48.4 10.5 61 84 A I H > + 0 0 77 -2,-1.3 4,-2.0 3,-0.2 5,-0.3 0.913 65.9 59.1 -71.1 -41.5 -1.3 45.2 10.2 62 85 A E H 4 S+ 0 0 189 1,-0.2 4,-0.3 -3,-0.2 -1,-0.2 0.865 127.7 15.4 -61.9 -42.1 1.5 45.8 12.7 63 86 A S H > S+ 0 0 58 2,-0.1 4,-1.7 3,-0.1 -1,-0.2 0.759 121.2 65.1 -95.2 -33.1 -0.9 46.2 15.6 64 87 A G H X S+ 0 0 0 -4,-2.7 4,-3.0 1,-0.2 5,-0.3 0.814 90.1 64.1 -66.8 -34.5 -4.1 44.8 14.1 65 88 A D H X S+ 0 0 48 -4,-2.0 4,-2.3 -5,-0.2 -1,-0.2 0.957 112.0 33.4 -53.2 -60.0 -2.9 41.2 13.7 66 89 A E H > S+ 0 0 112 -4,-0.3 4,-3.0 -5,-0.3 5,-0.2 0.823 115.1 57.8 -72.2 -31.1 -2.6 40.5 17.4 67 90 A K H X S+ 0 0 116 -4,-1.7 4,-1.9 2,-0.2 -1,-0.2 0.960 112.7 41.5 -61.7 -48.3 -5.5 42.8 18.4 68 91 A I H X S+ 0 0 0 -4,-3.0 4,-2.7 2,-0.2 -2,-0.2 0.914 116.0 50.6 -59.5 -43.8 -7.8 40.6 16.1 69 92 A N H X S+ 0 0 25 -4,-2.3 4,-2.3 -5,-0.3 -2,-0.2 0.904 107.5 51.2 -69.3 -40.7 -6.1 37.4 17.3 70 93 A V H X S+ 0 0 70 -4,-3.0 4,-1.2 2,-0.2 -1,-0.2 0.932 112.1 48.7 -57.8 -45.3 -6.5 38.2 21.0 71 94 A L H >X S+ 0 0 18 -4,-1.9 3,-0.8 -5,-0.2 4,-0.7 0.945 109.6 51.3 -61.7 -44.4 -10.2 38.9 20.3 72 95 A I H >X S+ 0 0 1 -4,-2.7 4,-2.9 1,-0.3 3,-1.8 0.927 106.5 56.0 -54.6 -44.8 -10.6 35.7 18.4 73 96 A D H 3< S+ 0 0 81 -4,-2.3 4,-0.5 1,-0.3 -1,-0.3 0.787 100.7 57.6 -62.0 -27.4 -9.0 33.9 21.3 74 97 A K H << S+ 0 0 134 -4,-1.2 -1,-0.3 -3,-0.8 -2,-0.2 0.643 120.9 27.0 -76.8 -13.0 -11.7 35.3 23.7 75 98 A Y H X< S+ 0 0 32 -3,-1.8 3,-1.3 -4,-0.7 -2,-0.2 0.764 104.2 70.2-111.9 -39.4 -14.5 33.7 21.6 76 99 A K T 3< S+ 0 0 45 -4,-2.9 17,-0.2 1,-0.3 18,-0.2 0.677 101.5 40.8 -67.6 -26.2 -13.3 30.6 19.8 77 100 A S T 3 S+ 0 0 74 -4,-0.5 -1,-0.3 -5,-0.2 -4,-0.1 0.278 78.6 137.6-108.6 5.0 -12.8 28.1 22.7 78 101 A R < - 0 0 153 -3,-1.3 2,-0.6 1,-0.1 15,-0.1 -0.186 55.5-125.7 -58.2 142.7 -15.9 28.9 24.7 79 102 A I - 0 0 133 14,-0.0 2,-0.7 2,-0.0 -1,-0.1 -0.843 23.5-138.5 -89.5 122.5 -17.7 26.0 26.1 80 103 A N - 0 0 27 8,-0.6 2,-1.7 -2,-0.6 10,-0.0 -0.777 4.9-152.7 -91.1 116.5 -21.3 26.2 24.9 81 104 A E - 0 0 162 -2,-0.7 2,-0.1 0, 0.0 -1,-0.1 -0.620 23.8-163.4 -86.0 76.8 -23.8 25.3 27.7 82 105 A F - 0 0 128 -2,-1.7 2,-0.2 1,-0.1 -2,-0.0 -0.374 12.6-123.5 -68.4 143.4 -26.5 24.1 25.3 83 106 A H 0 0 169 1,-0.2 -1,-0.1 -2,-0.1 0, 0.0 -0.518 360.0 360.0 -89.8 153.8 -30.0 23.8 26.8 84 107 A S 0 0 177 -2,-0.2 -1,-0.2 0, 0.0 -2,-0.0 0.948 360.0 360.0 47.8 360.0 -32.2 20.7 26.8 85 ! 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 86 112 A K 0 0 266 0, 0.0 2,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -9.0 -23.2 17.0 20.6 87 113 A S - 0 0 106 1,-0.1 0, 0.0 2,-0.0 0, 0.0 -0.365 360.0-114.4 -75.8 165.2 -20.5 19.1 19.0 88 114 A Q - 0 0 97 -2,-0.1 -8,-0.6 -9,-0.1 -1,-0.1 0.699 41.9-123.0 -76.7 -17.8 -18.7 21.9 20.9 89 115 A G > + 0 0 15 -10,-0.1 4,-2.1 3,-0.1 5,-0.1 0.854 54.7 154.8 75.5 37.9 -20.2 24.6 18.7 90 116 A V H > S+ 0 0 36 2,-0.2 4,-1.9 1,-0.2 5,-0.1 0.857 76.1 54.8 -61.7 -33.1 -16.9 26.1 17.5 91 117 A T H > S+ 0 0 86 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.941 107.5 49.5 -65.0 -44.9 -18.7 27.3 14.4 92 118 A L H > S+ 0 0 74 1,-0.2 4,-2.5 2,-0.2 -2,-0.2 0.888 107.1 55.7 -58.2 -41.2 -21.2 29.1 16.6 93 119 A N H X S+ 0 0 0 -4,-2.1 4,-2.4 2,-0.2 -1,-0.2 0.911 108.0 47.8 -58.5 -45.2 -18.3 30.6 18.6 94 120 A a H X S+ 0 0 0 -4,-1.9 4,-2.7 2,-0.2 -2,-0.2 0.896 111.4 50.0 -63.5 -40.0 -16.9 32.2 15.4 95 121 A L H X S+ 0 0 74 -4,-2.2 4,-1.8 2,-0.2 -2,-0.2 0.899 109.2 52.5 -64.3 -38.2 -20.4 33.5 14.4 96 122 A R H X S+ 0 0 95 -4,-2.5 4,-0.5 1,-0.2 -2,-0.2 0.943 111.2 47.1 -63.2 -48.1 -20.8 35.0 17.9 97 123 A L H >< S+ 0 0 0 -4,-2.4 3,-1.6 1,-0.2 6,-0.3 0.948 108.6 55.2 -49.7 -53.5 -17.4 36.7 17.5 98 124 A Y H 3< S+ 0 0 39 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.802 115.5 37.4 -57.3 -37.1 -18.4 37.9 14.0 99 125 A H H 3< S+ 0 0 130 -4,-1.8 -1,-0.3 -3,-0.2 -2,-0.2 0.370 91.5 124.5 -93.4 1.9 -21.6 39.6 15.3 100 126 A S S+ 0 0 101 0, 0.0 4,-2.7 0, 0.0 5,-0.2 0.861 107.9 60.1 -57.9 -34.6 -20.1 44.5 19.6 102 128 A E H > S+ 0 0 102 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.920 107.7 41.7 -61.8 -47.0 -16.4 44.0 20.6 103 129 A L H > S+ 0 0 0 -6,-0.3 4,-3.1 2,-0.2 -1,-0.2 0.899 112.2 56.1 -67.5 -39.1 -15.4 43.1 17.1 104 130 A D H X S+ 0 0 55 -4,-2.3 4,-0.8 2,-0.2 -2,-0.2 0.943 111.3 43.6 -59.1 -44.9 -17.7 45.8 15.6 105 131 A K H >X S+ 0 0 140 -4,-2.7 4,-1.4 1,-0.2 3,-0.9 0.949 116.6 46.1 -62.4 -49.9 -15.8 48.4 17.8 106 132 A L H 3X S+ 0 0 18 -4,-2.5 4,-1.6 1,-0.2 -2,-0.2 0.877 103.7 63.5 -62.4 -37.8 -12.4 47.0 17.0 107 133 A S H 3< S+ 0 0 0 -4,-3.1 -1,-0.2 1,-0.2 -84,-0.2 0.749 106.2 44.8 -59.5 -28.3 -13.2 46.7 13.2 108 134 A R H X< S+ 0 0 91 -3,-0.9 3,-1.0 -4,-0.8 -1,-0.2 0.840 109.5 55.6 -83.4 -35.4 -13.5 50.5 13.0 109 135 A Q H 3< S+ 0 0 115 -4,-1.4 -2,-0.2 1,-0.2 -1,-0.1 0.785 101.8 56.8 -67.9 -28.8 -10.3 51.2 15.1 110 136 A L T 3< S+ 0 0 4 -4,-1.6 -50,-2.1 -46,-0.1 2,-0.5 0.288 88.2 91.1 -91.4 7.3 -8.0 49.1 12.8 111 137 A I B < S-B 59 0B 10 -3,-1.0 -52,-0.2 -52,-0.2 2,-0.2 -0.922 74.0-130.4-108.2 124.7 -8.8 51.0 9.6 112 138 A A S S- 0 0 50 -54,-2.7 -2,-0.1 -2,-0.5 -3,-0.0 -0.517 78.1 -5.2 -66.9 141.2 -6.8 54.1 8.5 113 139 A G S S- 0 0 67 -2,-0.2 -2,-0.1 2,-0.0 0, 0.0 -0.244 126.5 -4.1 65.4-159.2 -9.1 56.9 7.6 114 140 A N > - 0 0 90 1,-0.2 3,-1.4 2,-0.1 -95,-0.2 -0.509 59.7-152.8 -68.0 119.0 -12.9 56.7 7.5 115 141 A P T 3 S+ 0 0 27 0, 0.0 -95,-2.0 0, 0.0 -94,-0.3 0.580 89.2 66.0 -74.8 -5.9 -13.8 53.1 8.2 116 142 A D T 3 S+ 0 0 87 -98,-0.2 2,-0.1 -97,-0.2 -2,-0.1 0.482 80.4 98.3 -89.1 -5.8 -17.1 53.5 6.3 117 143 A R < - 0 0 89 -3,-1.4 -98,-2.7 -99,-0.1 2,-0.3 -0.360 66.6-135.5 -75.5 164.6 -15.4 54.0 2.9 118 144 A T B > -A 18 0A 23 -100,-0.2 4,-2.0 -99,-0.1 5,-0.2 -0.802 20.3-113.0-118.6 161.9 -15.0 51.1 0.5 119 145 A W H > S+ 0 0 50 -102,-0.5 4,-2.0 -105,-0.4 5,-0.4 0.911 119.0 52.5 -58.7 -42.6 -12.1 49.8 -1.7 120 146 A N H >>S+ 0 0 50 -105,-2.4 4,-2.5 1,-0.2 5,-1.1 0.914 107.7 51.5 -59.4 -43.8 -14.0 50.7 -4.8 121 147 A Q H 45S+ 0 0 65 -106,-0.3 4,-0.3 1,-0.2 -1,-0.2 0.882 117.1 39.2 -55.7 -44.4 -14.5 54.3 -3.5 122 148 A D H <5S+ 0 0 70 -4,-2.0 -1,-0.2 1,-0.1 -2,-0.2 0.692 132.2 20.7 -82.3 -23.4 -10.9 54.7 -2.8 123 149 A N H <5S+ 0 0 95 -4,-2.0 -3,-0.2 -5,-0.2 -2,-0.2 0.662 124.7 41.2-120.7 -27.8 -9.4 52.9 -5.8 124 150 A A T <5 0 0 71 -4,-2.5 -3,-0.2 -5,-0.4 -4,-0.1 0.620 360.0 360.0-105.6 -17.0 -12.0 52.7 -8.6 125 151 A K < 0 0 209 -5,-1.1 -1,-0.0 -4,-0.3 0, 0.0 -0.830 360.0 360.0-148.2 360.0 -13.7 56.1 -8.6