==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 21-OCT-04 1XTE . COMPND 2 MOLECULE: SERINE/THREONINE-PROTEIN KINASE SGK3; . SOURCE 2 ORGANISM_SCIENTIFIC: MUS MUSCULUS; . AUTHOR Y.XING,D LIU,R.ZHANG,A.JOACHIMIAK,Z.SONGYANG,W.XU . 116 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 7701.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 79 68.1 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 . 21 18.1 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 1.7 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 . 10 8.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 15 12.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 34 29.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 0.9 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 0 1 0 0 0 0 0 0 0 1 0 0 0 1 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 . 0 0 0 0 0 0 0 1 0 1 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 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 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 4 A K 0 0 161 0, 0.0 2,-0.2 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 128.7 47.1 -7.4 -8.1 2 5 A E - 0 0 157 1,-0.0 2,-0.3 30,-0.0 30,-0.1 -0.596 360.0-118.4 -84.0 151.1 48.9 -9.8 -5.6 3 6 A S - 0 0 59 -2,-0.2 -1,-0.0 28,-0.0 30,-0.0 -0.715 21.8-128.3 -90.8 138.3 51.5 -8.3 -3.3 4 7 A C - 0 0 68 -2,-0.3 28,-0.4 1,-0.1 90,-0.1 -0.699 33.8-110.0 -82.8 133.4 55.1 -9.7 -3.6 5 8 A P - 0 0 6 0, 0.0 2,-0.4 0, 0.0 26,-0.2 -0.227 29.2-162.9 -65.2 150.7 56.4 -10.9 -0.3 6 9 A S E -A 30 0A 65 24,-2.4 24,-3.1 2,-0.0 2,-0.3 -0.986 11.7-176.0-130.3 142.4 59.2 -9.0 1.5 7 10 A V E +A 29 0A 10 -2,-0.4 2,-0.3 22,-0.2 22,-0.2 -0.952 11.8 173.3-139.1 154.4 61.2 -10.5 4.3 8 11 A S E -A 28 0A 43 20,-1.6 20,-2.9 -2,-0.3 -2,-0.0 -0.960 24.7-142.7-152.5 161.5 63.9 -9.6 6.8 9 12 A I E + 0 0 4 -2,-0.3 18,-0.2 18,-0.2 77,-0.1 -0.814 25.5 171.3-128.2 87.9 65.6 -11.3 9.8 10 13 A P E - 0 0 62 0, 0.0 2,-0.3 0, 0.0 17,-0.1 0.714 58.3 -7.1 -74.4 -19.2 66.2 -8.5 12.3 11 14 A S E -A 26 0A 34 15,-0.8 15,-2.4 71,-0.1 2,-0.3 -0.954 52.3-141.5-163.5 173.3 67.4 -10.5 15.2 12 15 A S E -A 25 0A 34 -2,-0.3 2,-0.4 13,-0.2 13,-0.2 -0.952 12.8-150.2-141.0 164.4 67.9 -13.9 16.9 13 16 A D E -A 24 0A 77 11,-2.2 11,-2.9 -2,-0.3 2,-0.5 -0.987 14.1-129.0-137.6 148.3 67.5 -15.2 20.4 14 17 A E E -A 23 0A 103 -2,-0.4 2,-0.3 9,-0.2 9,-0.2 -0.815 25.1-173.2 -98.6 131.8 69.2 -17.9 22.3 15 18 A H E -A 22 0A 93 7,-2.8 7,-1.9 -2,-0.5 2,-0.4 -0.858 6.3-157.0-116.7 153.5 67.0 -20.6 24.0 16 19 A R E +A 21 0A 188 -2,-0.3 2,-0.3 5,-0.2 5,-0.2 -0.984 17.4 166.5-137.8 149.5 68.3 -23.2 26.3 17 20 A E E > -A 20 0A 108 3,-2.4 3,-3.2 -2,-0.4 -2,-0.0 -0.825 63.4 -35.7-138.7 177.4 67.1 -26.7 27.6 18 21 A K T 3 S- 0 0 187 1,-0.3 3,-0.1 -2,-0.3 -1,-0.0 -0.138 127.4 -25.9 -40.9 112.7 69.0 -29.4 29.5 19 22 A K T 3 S+ 0 0 208 1,-0.1 2,-0.4 -3,-0.0 -1,-0.3 0.750 122.0 108.1 49.6 28.8 72.5 -29.3 28.2 20 23 A K E < -A 17 0A 104 -3,-3.2 -3,-2.4 2,-0.0 2,-0.4 -0.987 43.4-179.3-140.5 136.7 71.2 -27.8 25.0 21 24 A R E +A 16 0A 102 -2,-0.4 2,-0.3 -5,-0.2 -5,-0.2 -0.958 7.5 173.8-129.1 150.0 71.4 -24.4 23.4 22 25 A F E -A 15 0A 41 -7,-1.9 -7,-2.8 -2,-0.4 2,-0.5 -0.995 26.3-128.3-154.7 161.0 70.0 -23.1 20.2 23 26 A T E -A 14 0A 18 -2,-0.3 19,-0.6 -9,-0.2 2,-0.5 -0.938 17.5-162.9-111.4 125.9 69.5 -20.0 18.2 24 27 A V E -AB 13 41A 13 -11,-2.9 -11,-2.2 -2,-0.5 2,-0.4 -0.935 11.7-145.2-110.1 123.3 66.1 -19.1 16.9 25 28 A Y E -AB 12 40A 1 15,-2.9 15,-2.3 -2,-0.5 2,-0.7 -0.715 9.8-137.5 -89.8 137.5 66.0 -16.4 14.1 26 29 A K E -AB 11 39A 55 -15,-2.4 -15,-0.8 -2,-0.4 2,-0.5 -0.863 21.1-164.5 -96.8 112.2 63.1 -14.0 14.0 27 30 A V E - B 0 38A 0 11,-3.2 11,-2.3 -2,-0.7 2,-0.7 -0.886 8.3-152.0-102.7 123.6 61.9 -13.6 10.5 28 31 A L E -AB 8 37A 32 -20,-2.9 -20,-1.6 -2,-0.5 2,-0.5 -0.865 16.3-169.1 -94.8 120.4 59.6 -10.7 9.6 29 32 A V E -AB 7 36A 0 7,-2.6 7,-2.0 -2,-0.7 2,-0.5 -0.927 4.1-173.5-114.8 125.9 57.4 -11.7 6.7 30 33 A S E +AB 6 35A 21 -24,-3.1 -24,-2.4 -2,-0.5 2,-0.5 -0.966 12.5 179.2-123.8 129.4 55.3 -9.1 4.9 31 34 A V E > - B 0 34A 41 3,-2.6 3,-1.9 -2,-0.5 2,-0.1 -0.931 64.0 -65.0-127.3 102.4 52.7 -9.6 2.2 32 35 A G T 3 S+ 0 0 44 -2,-0.5 -1,-0.0 -28,-0.4 -30,-0.0 -0.281 121.3 2.1 61.3-118.3 51.1 -6.3 1.2 33 36 A R T 3 S+ 0 0 251 -2,-0.1 2,-0.3 -3,-0.1 -1,-0.3 0.580 125.3 61.9 -81.8 -5.2 49.2 -4.8 3.9 34 37 A S E < -B 31 0A 71 -3,-1.9 -3,-2.6 81,-0.0 2,-0.3 -0.857 54.9-179.4-126.5 155.4 49.9 -7.4 6.5 35 38 A E E +B 30 0A 107 -2,-0.3 2,-0.3 -5,-0.3 -5,-0.2 -0.963 3.0 172.8-147.4 157.5 53.0 -8.8 8.3 36 39 A W E -B 29 0A 28 -7,-2.0 -7,-2.6 -2,-0.3 2,-0.3 -0.940 29.9-104.6-157.2 171.5 53.9 -11.4 10.9 37 40 A F E -B 28 0A 91 -2,-0.3 2,-0.4 -9,-0.2 -9,-0.2 -0.844 22.6-168.7-106.9 145.1 56.8 -13.2 12.6 38 41 A V E -B 27 0A 9 -11,-2.3 -11,-3.2 -2,-0.3 2,-0.5 -0.991 13.3-145.9-129.2 137.9 58.1 -16.7 11.9 39 42 A F E +B 26 0A 109 -2,-0.4 2,-0.4 -13,-0.2 -13,-0.2 -0.929 27.2 166.4-110.1 122.2 60.7 -18.3 14.2 40 43 A R E -B 25 0A 45 -15,-2.3 -15,-2.9 -2,-0.5 2,-0.2 -0.998 27.1-140.6-139.2 139.9 63.2 -20.6 12.5 41 44 A R E >> -B 24 0A 102 -2,-0.4 3,-1.4 -17,-0.2 4,-1.3 -0.586 38.4-101.7 -90.6 165.7 66.4 -22.3 13.4 42 45 A Y H 3> S+ 0 0 20 -19,-0.6 4,-2.6 1,-0.3 3,-0.3 0.879 119.0 61.5 -53.1 -42.2 69.4 -22.6 11.0 43 46 A A H 3> S+ 0 0 51 1,-0.2 4,-2.1 2,-0.2 -1,-0.3 0.819 100.8 54.4 -57.3 -32.0 68.6 -26.3 10.3 44 47 A E H <> S+ 0 0 55 -3,-1.4 4,-1.9 2,-0.2 -1,-0.2 0.884 108.6 47.1 -69.4 -41.4 65.2 -25.3 8.9 45 48 A F H X S+ 0 0 0 -4,-1.3 4,-2.7 -3,-0.3 -2,-0.2 0.914 112.0 52.5 -62.3 -40.0 66.7 -22.9 6.4 46 49 A D H X S+ 0 0 16 -4,-2.6 4,-2.8 1,-0.2 -2,-0.2 0.893 105.9 52.2 -64.5 -38.2 69.2 -25.6 5.5 47 50 A K H X S+ 0 0 147 -4,-2.1 4,-1.5 2,-0.2 -1,-0.2 0.909 112.6 45.9 -64.5 -41.1 66.4 -28.2 4.8 48 51 A L H X S+ 0 0 11 -4,-1.9 4,-2.8 2,-0.2 5,-0.2 0.942 112.9 50.3 -65.4 -44.2 64.7 -25.6 2.5 49 52 A Y H X S+ 0 0 35 -4,-2.7 4,-2.4 1,-0.2 5,-0.2 0.926 107.9 52.2 -58.6 -44.8 68.0 -24.8 0.8 50 53 A N H X S+ 0 0 82 -4,-2.8 4,-0.8 1,-0.2 -1,-0.2 0.837 113.0 45.5 -66.5 -30.2 68.8 -28.5 0.2 51 54 A S H X S+ 0 0 35 -4,-1.5 4,-1.7 -5,-0.2 3,-0.3 0.937 116.3 42.8 -75.0 -49.0 65.4 -29.0 -1.5 52 55 A L H X S+ 0 0 0 -4,-2.8 4,-2.6 1,-0.2 -2,-0.2 0.805 106.6 60.3 -70.9 -29.5 65.4 -26.0 -3.7 53 56 A K H < S+ 0 0 84 -4,-2.4 -1,-0.2 -5,-0.2 7,-0.2 0.874 108.7 46.1 -67.1 -33.3 69.1 -26.3 -4.8 54 57 A K H < S+ 0 0 181 -4,-0.8 -1,-0.2 -3,-0.3 -2,-0.2 0.899 115.6 45.6 -73.4 -39.3 68.3 -29.7 -6.3 55 58 A Q H < S+ 0 0 96 -4,-1.7 -2,-0.2 1,-0.2 -1,-0.2 0.825 125.9 28.8 -75.0 -30.6 65.1 -28.4 -8.0 56 59 A F >< + 0 0 47 -4,-2.6 3,-1.6 -5,-0.1 4,-0.4 -0.533 66.1 163.8-132.3 70.8 66.7 -25.2 -9.3 57 60 A P G > S+ 0 0 100 0, 0.0 3,-0.9 0, 0.0 -1,-0.1 0.764 71.0 63.9 -59.8 -28.2 70.3 -25.8 -10.0 58 61 A A G 3 S+ 0 0 104 1,-0.2 -5,-0.1 2,-0.1 -2,-0.0 0.713 89.8 68.8 -73.6 -15.1 70.8 -22.8 -12.2 59 62 A M G < S- 0 0 54 -3,-1.6 -1,-0.2 -6,-0.1 3,-0.1 0.741 86.6-147.0 -74.0 -24.7 70.0 -20.4 -9.4 60 63 A A < - 0 0 67 -3,-0.9 -2,-0.1 -4,-0.4 -7,-0.1 0.964 21.2-159.9 55.1 53.5 73.2 -21.1 -7.4 61 64 A L - 0 0 5 -5,-0.3 2,-0.4 -12,-0.1 -1,-0.1 -0.379 4.8-154.3 -62.0 148.5 71.3 -20.6 -4.2 62 65 A K + 0 0 154 22,-0.1 -1,-0.0 -3,-0.1 -13,-0.0 -0.990 17.6 177.9-134.0 136.9 73.7 -19.8 -1.3 63 66 A I - 0 0 29 -2,-0.4 3,-0.1 24,-0.1 22,-0.1 -0.946 39.0 -96.9-132.4 150.2 73.3 -20.4 2.4 64 67 A P - 0 0 25 0, 0.0 17,-0.1 0, 0.0 -1,-0.0 -0.208 62.0 -67.4 -62.6 165.7 76.0 -19.6 5.1 65 68 A A - 0 0 68 1,-0.1 19,-0.0 2,-0.0 3,-0.0 -0.121 33.7-156.4 -57.0 146.1 78.1 -22.5 6.3 66 69 A K S S+ 0 0 147 -3,-0.1 2,-0.4 1,-0.1 -1,-0.1 0.812 78.6 53.7 -89.0 -35.1 76.6 -25.3 8.3 67 70 A R - 0 0 171 2,-0.0 2,-0.5 0, 0.0 -1,-0.1 -0.843 64.1-172.2-106.0 131.3 79.7 -26.4 10.1 68 71 A I - 0 0 36 -2,-0.4 2,-1.1 2,-0.2 4,-0.2 -0.998 19.4-147.0-129.1 127.2 81.8 -24.0 12.1 69 72 A F S S+ 0 0 176 -2,-0.5 2,-0.3 2,-0.1 -2,-0.0 -0.838 83.4 30.1 -90.6 94.9 85.2 -25.1 13.6 70 73 A G S S- 0 0 57 -2,-1.1 2,-0.7 4,-0.0 -2,-0.2 -0.919 116.9 -19.2 143.4-164.7 84.9 -22.9 16.6 71 74 A D > - 0 0 88 -2,-0.3 3,-1.8 1,-0.2 6,-0.2 -0.626 41.4-165.9 -85.4 110.1 82.1 -21.6 18.7 72 75 A N T 3 S+ 0 0 79 -2,-0.7 -1,-0.2 1,-0.3 -3,-0.0 0.404 92.3 55.0 -73.2 -0.7 78.7 -21.7 17.0 73 76 A F T 3 S+ 0 0 36 4,-0.0 -1,-0.3 -59,-0.0 -2,-0.1 0.258 73.1 125.1-109.1 10.5 77.4 -19.4 19.7 74 77 A D <> - 0 0 64 -3,-1.8 4,-2.6 1,-0.2 3,-0.3 -0.523 64.5-133.8 -64.5 127.6 80.0 -16.6 19.2 75 78 A P H > S+ 0 0 97 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.811 104.5 54.5 -58.7 -29.3 77.9 -13.5 18.6 76 79 A D H > S+ 0 0 122 2,-0.2 4,-2.1 1,-0.2 5,-0.2 0.922 109.4 47.3 -69.8 -41.2 80.0 -12.4 15.7 77 80 A F H > S+ 0 0 32 -3,-0.3 4,-2.5 -6,-0.2 5,-0.2 0.914 113.3 48.9 -62.9 -45.1 79.4 -15.8 14.0 78 81 A I H X S+ 0 0 21 -4,-2.6 4,-2.9 1,-0.2 -2,-0.2 0.919 109.2 51.7 -64.8 -41.0 75.7 -15.6 14.7 79 82 A K H X S+ 0 0 132 -4,-2.5 4,-2.1 1,-0.2 -1,-0.2 0.912 113.0 45.2 -63.4 -38.9 75.4 -12.0 13.3 80 83 A Q H X S+ 0 0 132 -4,-2.1 4,-2.2 2,-0.2 -1,-0.2 0.887 111.7 51.6 -70.8 -36.2 77.1 -13.1 10.1 81 84 A R H X S+ 0 0 26 -4,-2.5 4,-2.6 1,-0.2 5,-0.2 0.934 109.2 51.6 -64.8 -41.8 75.0 -16.3 9.8 82 85 A R H X S+ 0 0 55 -4,-2.9 4,-2.4 1,-0.2 -2,-0.2 0.918 109.2 49.9 -60.4 -43.2 71.9 -14.1 10.3 83 86 A A H X S+ 0 0 61 -4,-2.1 4,-2.1 1,-0.2 -1,-0.2 0.897 112.5 47.9 -63.3 -37.6 73.0 -11.8 7.5 84 87 A G H X S+ 0 0 22 -4,-2.2 4,-1.9 2,-0.2 -2,-0.2 0.859 111.3 48.8 -69.9 -37.2 73.7 -14.8 5.2 85 88 A L H X S+ 0 0 0 -4,-2.6 4,-2.3 2,-0.2 -1,-0.2 0.860 110.1 53.0 -69.2 -37.3 70.3 -16.4 6.0 86 89 A N H X S+ 0 0 35 -4,-2.4 4,-2.4 -5,-0.2 5,-0.3 0.911 108.8 49.7 -62.3 -44.1 68.6 -13.0 5.3 87 90 A E H X S+ 0 0 52 -4,-2.1 4,-2.1 1,-0.2 -2,-0.2 0.918 109.9 52.5 -61.0 -40.2 70.4 -12.9 1.9 88 91 A F H X S+ 0 0 6 -4,-1.9 4,-1.7 1,-0.2 -2,-0.2 0.931 114.3 39.4 -61.4 -50.0 69.2 -16.4 1.1 89 92 A I H X S+ 0 0 2 -4,-2.3 4,-1.9 2,-0.2 -1,-0.2 0.855 112.5 54.4 -73.8 -30.7 65.5 -15.8 1.9 90 93 A Q H < S+ 0 0 90 -4,-2.4 4,-0.3 1,-0.2 -1,-0.2 0.891 108.0 52.3 -70.1 -35.0 65.4 -12.3 0.3 91 94 A N H >< S+ 0 0 65 -4,-2.1 3,-1.3 -5,-0.3 4,-0.3 0.935 108.0 51.5 -66.6 -42.1 66.7 -13.8 -2.9 92 95 A L H >< S+ 0 0 3 -4,-1.7 3,-1.8 1,-0.2 7,-0.3 0.884 102.6 57.2 -58.3 -43.5 64.1 -16.5 -2.9 93 96 A V T 3< S+ 0 0 8 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.477 89.2 76.6 -73.6 0.2 61.1 -14.2 -2.5 94 97 A R T < S+ 0 0 57 -3,-1.3 -1,-0.3 -4,-0.3 -2,-0.2 0.688 88.9 66.3 -78.1 -18.8 62.1 -12.3 -5.6 95 98 A Y X> - 0 0 105 -3,-1.8 4,-2.7 -4,-0.3 3,-2.0 -0.912 68.4-151.8-113.9 120.4 60.8 -15.1 -7.8 96 99 A P H 3> S+ 0 0 71 0, 0.0 4,-1.4 0, 0.0 5,-0.1 0.816 97.7 61.3 -56.8 -31.3 57.1 -16.1 -8.1 97 100 A E H 34 S+ 0 0 128 1,-0.2 -2,-0.0 2,-0.2 0, 0.0 0.739 112.5 40.0 -70.1 -14.4 57.9 -19.7 -9.0 98 101 A L H X4 S+ 0 0 0 -3,-2.0 3,-1.3 -6,-0.2 6,-0.3 0.829 113.5 49.5 -97.8 -40.2 59.6 -19.8 -5.6 99 102 A Y H 3< S+ 0 0 33 -4,-2.7 -2,-0.2 -7,-0.3 -1,-0.1 0.650 113.4 48.9 -78.5 -2.2 57.2 -17.8 -3.5 100 103 A N T 3< S+ 0 0 82 -4,-1.4 -1,-0.3 -5,-0.3 -2,-0.1 0.431 87.9 111.9-100.5 -0.9 54.3 -19.9 -4.9 101 104 A H S X> S- 0 0 24 -3,-1.3 4,-2.9 -5,-0.1 3,-0.5 -0.510 73.6-131.5 -72.6 131.3 56.4 -23.1 -4.1 102 105 A P H 3> S+ 0 0 95 0, 0.0 4,-2.0 0, 0.0 5,-0.2 0.838 104.4 51.8 -54.0 -37.7 54.7 -25.0 -1.3 103 106 A D H 3> S+ 0 0 66 2,-0.2 4,-1.9 1,-0.2 5,-0.1 0.865 112.5 46.1 -69.8 -34.4 57.9 -25.5 0.8 104 107 A V H <> S+ 0 0 1 -3,-0.5 4,-2.6 -6,-0.3 6,-0.2 0.925 111.3 51.9 -73.4 -43.4 58.6 -21.7 0.7 105 108 A R H <>S+ 0 0 43 -4,-2.9 5,-2.5 -7,-0.2 4,-0.4 0.909 113.0 45.4 -61.1 -38.2 55.0 -20.8 1.5 106 109 A A H ><5S+ 0 0 55 -4,-2.0 3,-0.9 -5,-0.3 -1,-0.2 0.913 109.7 53.5 -70.5 -40.0 55.1 -23.1 4.5 107 110 A F H 3<5S+ 0 0 16 -4,-1.9 -2,-0.2 1,-0.2 -1,-0.2 0.901 117.7 37.7 -62.2 -37.1 58.5 -21.9 5.7 108 111 A L T 3<5S- 0 0 2 -4,-2.6 -1,-0.2 -5,-0.1 -2,-0.2 0.361 107.5-125.3 -94.1 4.9 57.2 -18.3 5.6 109 112 A Q T X 5 + 0 0 61 -3,-0.9 3,-0.9 -4,-0.4 -3,-0.2 0.861 52.2 157.9 50.8 48.6 53.7 -19.2 6.9 110 113 A M T 3 < + 0 0 25 -5,-2.5 -4,-0.1 1,-0.2 -1,-0.1 0.661 68.6 41.4 -77.4 -14.1 52.1 -17.5 3.9 111 114 A D T 3 S+ 0 0 114 -6,-0.4 -1,-0.2 -5,-0.0 -2,-0.1 -0.115 81.9 141.9-124.4 36.0 48.8 -19.4 4.1 112 115 A S X - 0 0 13 -3,-0.9 3,-1.5 1,-0.1 -6,-0.0 -0.549 50.8-143.4 -82.6 136.6 48.2 -19.4 7.8 113 116 A P G > S+ 0 0 104 0, 0.0 3,-0.7 0, 0.0 -1,-0.1 0.765 100.7 65.0 -70.2 -16.9 44.7 -19.0 9.2 114 117 A R G 3 S+ 0 0 179 1,-0.3 -2,-0.0 0, 0.0 -3,-0.0 0.500 91.7 63.8 -81.1 -2.7 46.3 -17.0 12.1 115 118 A H G < 0 0 64 -3,-1.5 -1,-0.3 -6,-0.1 -3,-0.1 -0.229 360.0 360.0-112.3 40.0 47.4 -14.3 9.6 116 119 A Q < 0 0 130 -3,-0.7 -4,-0.0 -82,-0.0 0, 0.0 -0.840 360.0 360.0-121.0 360.0 43.8 -13.4 8.6