==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-AUG-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE/TRANSFERASE INHIBITOR 25-APR-12 4EUT . COMPND 2 MOLECULE: SERINE/THREONINE-PROTEIN KINASE TBK1; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR X.MA,E.HELGASON,Q.T.PHUNG,C.L.QUAN,R.S.IYER,M.W.LEE,K.K.BOWM . 763 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 36370.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 526 68.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 18 2.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 135 17.7 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 8 1.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 8 1.0 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 . 1 0.1 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 . 58 7.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 87 11.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 197 25.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 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 2 0 1 2 0 2 0 0 4 2 2 0 1 0 0 0 2 0 0 1 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 2 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 PARALLEL BRIDGES PER LADDER . 3 4 4 5 4 2 4 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 . 2 2 2 2 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 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 99 0, 0.0 11,-2.0 0, 0.0 12,-0.6 0.000 360.0 360.0 360.0 143.3 83.1 -15.4 87.8 2 1 A S E -A 11 0A 64 9,-0.3 2,-0.3 10,-0.2 9,-0.2 -0.963 360.0-148.2-152.4 168.1 84.2 -11.8 88.2 3 2 A Q E -A 10 0A 46 7,-2.3 7,-2.4 -2,-0.3 2,-0.3 -0.879 15.9-172.9-137.1 173.2 85.3 -8.6 86.5 4 3 A S E -A 9 0A 15 -2,-0.3 74,-1.4 5,-0.2 2,-0.2 -0.885 15.1-158.9-154.0 171.0 87.6 -5.7 87.3 5 4 A T - 0 0 0 3,-2.2 72,-0.2 -2,-0.3 70,-0.0 -0.786 54.5 -78.7-143.9-169.3 89.0 -2.3 86.4 6 5 A S S S+ 0 0 88 70,-0.5 71,-0.1 -2,-0.2 3,-0.0 0.930 128.7 18.1 -57.9 -41.2 92.2 -0.4 87.4 7 6 A N S S+ 0 0 61 23,-0.1 23,-3.7 22,-0.1 24,-0.3 0.741 119.6 48.1-107.6 -28.9 90.6 0.4 90.7 8 7 A H E - B 0 29A 7 21,-0.3 -3,-2.2 22,-0.1 2,-0.3 -0.720 50.8-163.6-120.7 167.5 87.6 -1.8 91.5 9 8 A L E -AB 4 28A 77 19,-1.9 19,-2.4 -2,-0.2 2,-0.3 -0.984 9.3-179.7-149.7 133.9 86.7 -5.4 91.5 10 9 A W E -AB 3 27A 2 -7,-2.4 -7,-2.3 -2,-0.3 2,-0.5 -0.991 25.8-128.3-139.8 146.9 83.3 -7.2 91.6 11 10 A L E > -A 2 0A 76 15,-0.7 3,-2.5 -2,-0.3 -9,-0.3 -0.814 21.8-133.8 -93.1 129.2 82.0 -10.8 91.6 12 11 A L E 3 S+ 0 0 66 -11,-2.0 3,-0.2 -2,-0.5 -10,-0.2 0.789 104.4 63.2 -55.1 -27.9 79.4 -11.4 88.9 13 12 A S E 3 S+ 0 0 100 -12,-0.6 2,-1.7 1,-0.2 -1,-0.3 0.775 83.7 78.9 -66.9 -25.7 77.3 -13.2 91.5 14 13 A D E < + 0 0 34 -3,-2.5 12,-2.4 12,-0.2 2,-0.3 -0.275 65.9 166.9 -82.3 55.1 76.9 -10.0 93.6 15 14 A I E + B 0 25A 72 -2,-1.7 10,-0.3 -3,-0.2 3,-0.1 -0.505 19.8 174.7 -74.4 132.0 74.2 -8.4 91.4 16 15 A L E S+ 0 0 87 8,-3.1 2,-0.3 1,-0.3 9,-0.2 0.673 71.1 11.9-102.2 -27.8 72.3 -5.5 92.8 17 16 A G E - B 0 24A 27 7,-1.7 7,-2.2 2,-0.0 2,-0.4 -0.991 59.9-162.3-153.6 153.4 70.3 -4.7 89.7 18 17 A Q E + B 0 23A 161 -2,-0.3 2,-0.2 5,-0.2 5,-0.2 -0.976 22.3 147.1-148.4 122.5 69.4 -6.2 86.4 19 18 A G - 0 0 45 3,-1.7 541,-0.1 -2,-0.4 542,-0.1 -0.784 55.7 -80.7-145.4-173.7 68.0 -4.7 83.2 20 19 A A S S+ 0 0 25 539,-0.5 25,-0.1 -2,-0.2 24,-0.1 0.921 121.3 21.6 -61.4 -50.1 67.9 -4.6 79.4 21 20 A T S S+ 0 0 10 1,-0.1 21,-2.6 539,-0.1 2,-0.3 0.538 126.7 10.6-100.8 -10.2 71.1 -2.8 78.7 22 21 A A E - C 0 41A 8 19,-0.3 -3,-1.7 23,-0.0 2,-0.3 -0.996 53.2-136.0-163.8 156.0 73.2 -3.2 81.9 23 22 A N E -BC 18 40A 48 17,-2.5 17,-3.4 -2,-0.3 2,-0.5 -0.887 18.0-143.2-115.5 158.0 73.7 -4.9 85.2 24 23 A V E -BC 17 39A 36 -7,-2.2 -8,-3.1 -2,-0.3 -7,-1.7 -0.988 21.7-170.9-120.0 129.4 74.8 -3.2 88.4 25 24 A F E -BC 15 38A 7 13,-2.8 13,-2.5 -2,-0.5 2,-0.7 -0.839 27.2-116.5-120.0 156.2 77.1 -5.1 90.7 26 25 A R E + C 0 37A 74 -12,-2.4 -15,-0.7 -2,-0.3 2,-0.2 -0.819 46.5 169.8 -87.5 117.7 78.5 -4.6 94.2 27 26 A G E -BC 10 36A 1 9,-2.8 9,-2.1 -2,-0.7 2,-0.3 -0.722 27.5-132.3-123.0 175.3 82.2 -4.2 94.1 28 27 A R E -BC 9 35A 120 -19,-2.4 -19,-1.9 -2,-0.2 2,-0.4 -0.931 28.0-109.9-125.1 150.6 85.1 -3.2 96.3 29 28 A H E > -B 8 0A 40 5,-1.9 4,-2.0 -2,-0.3 -21,-0.3 -0.686 30.3-126.8 -81.5 134.7 87.9 -0.7 95.7 30 29 A K T 4 S+ 0 0 108 -23,-3.7 -1,-0.1 -2,-0.4 -22,-0.1 0.732 100.2 25.8 -59.4 -28.8 91.2 -2.5 95.2 31 30 A K T 4 S+ 0 0 182 -24,-0.3 -1,-0.2 3,-0.1 -23,-0.0 0.879 130.8 31.7 -99.9 -55.1 93.1 -0.5 97.8 32 31 A T T 4 S- 0 0 88 2,-0.1 -2,-0.2 1,-0.1 3,-0.1 0.780 89.0-138.2 -79.3 -26.2 90.7 0.9 100.4 33 32 A G < + 0 0 41 -4,-2.0 -3,-0.1 1,-0.3 2,-0.1 0.536 47.1 156.8 76.5 5.2 88.2 -2.0 100.1 34 33 A D - 0 0 96 -6,-0.1 -5,-1.9 1,-0.1 -1,-0.3 -0.407 43.3-114.4 -63.7 138.0 85.4 0.5 100.2 35 34 A L E +C 28 0A 72 -7,-0.2 54,-0.5 -2,-0.1 2,-0.3 -0.457 40.8 165.5 -78.0 145.3 82.1 -0.7 98.6 36 35 A F E -C 27 0A 26 -9,-2.1 -9,-2.8 52,-0.2 2,-0.4 -0.961 35.3-114.0-150.3 162.8 80.7 0.8 95.5 37 36 A A E -CD 26 87A 8 50,-2.7 50,-4.3 -2,-0.3 2,-0.4 -0.869 29.2-162.5-102.6 140.4 78.1 0.1 92.9 38 37 A I E -CD 25 86A 0 -13,-2.5 -13,-2.8 -2,-0.4 2,-0.5 -0.982 7.4-151.5-130.6 122.5 79.3 -0.6 89.3 39 38 A K E -CD 24 85A 16 46,-2.1 46,-1.8 -2,-0.4 2,-0.5 -0.813 14.3-172.2 -98.5 126.2 77.1 -0.5 86.2 40 39 A V E -C 23 0A 17 -17,-3.4 -17,-2.5 -2,-0.5 2,-0.2 -0.964 14.9-137.6-124.3 122.0 78.2 -2.7 83.4 41 40 A F E -C 22 0A 19 42,-0.5 -19,-0.3 -2,-0.5 2,-0.1 -0.528 13.9-129.5 -84.9 142.8 76.6 -2.5 79.9 42 41 A N > - 0 0 49 -21,-2.6 3,-0.8 -2,-0.2 4,-0.4 -0.434 25.6-109.3 -81.0 162.2 75.8 -5.6 77.8 43 42 A N G > S+ 0 0 123 1,-0.3 3,-1.8 2,-0.2 4,-0.2 0.851 115.4 62.0 -58.7 -39.3 76.8 -6.0 74.2 44 43 A I G > S+ 0 0 106 1,-0.3 3,-2.1 2,-0.2 -1,-0.3 0.857 94.3 65.1 -56.0 -34.8 73.2 -5.6 72.9 45 44 A S G X S+ 0 0 2 -3,-0.8 3,-1.1 1,-0.3 -1,-0.3 0.733 90.6 64.1 -62.8 -23.4 73.3 -2.1 74.3 46 45 A F G < S+ 0 0 74 -3,-1.8 -1,-0.3 -4,-0.4 -2,-0.2 0.482 84.1 75.2 -83.4 -0.7 76.0 -1.1 71.9 47 46 A L G < S+ 0 0 129 -3,-2.1 -1,-0.2 -4,-0.2 -2,-0.2 0.639 79.4 94.6 -80.6 -14.2 73.7 -1.6 69.0 48 47 A R S < S- 0 0 18 -3,-1.1 5,-0.1 -4,-0.3 504,-0.0 -0.358 98.4 -79.0 -70.2 154.6 72.0 1.7 69.9 49 48 A P >> - 0 0 9 0, 0.0 4,-2.3 0, 0.0 3,-0.9 -0.293 42.9-122.1 -51.1 136.7 73.0 4.9 68.3 50 49 A V H 3> S+ 0 0 54 1,-0.3 4,-2.2 2,-0.2 -2,-0.1 0.855 111.3 56.8 -54.4 -37.7 76.2 6.1 69.9 51 50 A D H 3> S+ 0 0 2 2,-0.2 4,-1.1 1,-0.2 -1,-0.3 0.872 106.9 48.9 -64.6 -35.6 74.6 9.4 70.9 52 51 A V H X4 S+ 0 0 12 -3,-0.9 3,-1.0 1,-0.2 4,-0.5 0.964 108.9 52.4 -68.3 -48.3 71.9 7.6 72.8 53 52 A Q H 3X S+ 0 0 34 -4,-2.3 4,-0.6 1,-0.2 3,-0.5 0.873 105.1 59.3 -49.8 -40.3 74.5 5.4 74.5 54 53 A M H >X S+ 0 0 34 -4,-2.2 4,-2.0 -5,-0.2 3,-0.7 0.854 87.0 78.1 -57.0 -39.3 76.2 8.6 75.6 55 54 A R H S+ 0 0 9 -4,-0.5 4,-2.8 -3,-0.5 -1,-0.3 0.927 115.1 46.5 -57.4 -43.5 73.4 8.3 80.8 57 56 A F H X S+ 0 0 2 -4,-3.3 3,-1.8 -5,-0.2 4,-1.2 0.988 109.9 48.0 -64.2 -58.9 73.6 13.0 82.5 60 59 A L H 3< S+ 0 0 6 -4,-2.8 11,-0.2 1,-0.3 -2,-0.2 0.652 106.3 59.9 -61.0 -15.4 75.6 11.5 85.4 61 60 A K H 3< S+ 0 0 119 -4,-1.0 -1,-0.3 -5,-0.2 -2,-0.2 0.810 107.2 46.0 -78.7 -30.9 78.4 14.0 84.6 62 61 A K H << S+ 0 0 86 -3,-1.8 2,-0.4 -4,-0.9 -2,-0.2 0.714 93.9 94.9 -81.7 -24.7 76.1 16.9 85.2 63 62 A L < + 0 0 21 -4,-1.2 8,-0.3 67,-0.0 2,-0.3 -0.578 33.7 157.0 -88.7 129.6 74.5 15.9 88.4 64 63 A N + 0 0 130 -2,-0.4 2,-0.3 6,-0.1 5,-0.1 -0.803 27.5 116.4-143.2 104.3 75.5 16.8 91.9 65 64 A H > - 0 0 65 3,-0.4 3,-1.2 -2,-0.3 58,-0.0 -0.984 65.5-117.1-160.6 154.6 73.0 16.7 94.8 66 65 A K T 3 S+ 0 0 159 -2,-0.3 4,-0.1 1,-0.2 57,-0.1 0.717 115.1 53.5 -68.7 -20.3 72.2 14.9 98.0 67 66 A N T 3 S+ 0 0 10 88,-0.1 89,-3.5 55,-0.1 2,-0.5 0.312 98.0 75.7 -98.5 10.9 69.1 13.4 96.6 68 67 A I B < S-f 156 0B 5 -3,-1.2 -3,-0.4 87,-0.3 89,-0.2 -0.984 92.5-108.6-124.0 123.2 70.8 11.9 93.5 69 68 A V - 0 0 6 87,-3.0 2,-0.1 -2,-0.5 -2,-0.1 -0.242 48.2-114.5 -49.6 126.4 73.0 8.7 93.7 70 69 A K - 0 0 106 -4,-0.1 18,-2.5 1,-0.1 2,-0.5 -0.358 14.8-137.7 -77.4 143.3 76.5 10.0 93.3 71 70 A L E +E 87 0A 36 -8,-0.3 16,-0.2 -11,-0.2 3,-0.1 -0.876 21.8 176.6 -94.3 123.6 78.8 9.2 90.4 72 71 A F E - 0 0 99 14,-2.9 2,-0.3 -2,-0.5 15,-0.2 0.908 57.3 -20.9 -91.4 -52.2 82.4 8.5 91.5 73 72 A A E -E 86 0A 31 13,-1.2 13,-2.9 2,-0.0 2,-0.6 -0.991 42.3-132.4-156.7 158.3 84.3 7.6 88.3 74 73 A I E +E 85 0A 54 -2,-0.3 2,-0.2 11,-0.2 11,-0.2 -0.973 43.9 166.1-113.6 110.7 84.1 6.3 84.8 75 74 A E E -E 84 0A 26 9,-1.5 9,-3.2 -2,-0.6 2,-0.4 -0.730 34.1-108.9-123.4 171.7 86.6 3.6 84.3 76 75 A E E -E 83 0A 88 -2,-0.2 -70,-0.5 7,-0.2 2,-0.3 -0.846 27.2-119.6-106.2 138.6 87.4 0.8 81.8 77 76 A E > - 0 0 3 5,-2.1 4,-2.8 -2,-0.4 -72,-0.3 -0.583 27.7-128.7 -71.6 134.6 86.9 -2.9 82.4 78 77 A T T 4 S+ 0 0 61 -74,-1.4 -1,-0.1 -2,-0.3 -73,-0.1 0.867 100.1 38.2 -60.9 -42.5 90.3 -4.5 82.1 79 78 A T T 4 S+ 0 0 112 -75,-0.2 -1,-0.2 1,-0.1 -74,-0.1 0.850 132.0 22.5 -80.1 -33.3 89.4 -7.3 79.7 80 79 A T T 4 S- 0 0 59 2,-0.1 -2,-0.2 0, 0.0 -1,-0.1 0.686 84.3-139.8-105.4 -22.8 87.0 -5.4 77.3 81 80 A R < + 0 0 127 -4,-2.8 2,-0.1 1,-0.2 -3,-0.1 0.634 50.9 148.5 64.5 15.2 87.9 -1.7 77.9 82 81 A H - 0 0 68 -5,-0.1 -5,-2.1 1,-0.1 2,-0.3 -0.505 56.0-100.8 -72.8 151.1 84.2 -0.9 77.8 83 82 A K E - E 0 76A 112 -7,-0.2 -42,-0.5 -2,-0.1 2,-0.3 -0.558 42.0-171.7 -75.0 133.7 83.3 2.0 80.0 84 83 A V E - E 0 75A 1 -9,-3.2 -9,-1.5 -2,-0.3 2,-0.5 -0.868 20.0-122.2-119.9 161.0 81.7 1.2 83.4 85 84 A L E -DE 39 74A 0 -46,-1.8 -46,-2.1 -2,-0.3 2,-0.6 -0.903 12.3-155.1-106.2 123.2 80.1 3.5 86.0 86 85 A I E +DE 38 73A 0 -13,-2.9 -14,-2.9 -2,-0.5 -13,-1.2 -0.878 28.7 179.0 -96.2 118.0 81.5 3.6 89.5 87 86 A M E -DE 37 71A 12 -50,-4.3 -50,-2.7 -2,-0.6 -16,-0.2 -0.791 37.3 -87.0-123.5 158.3 78.6 4.7 91.8 88 87 A E - 0 0 33 -18,-2.5 2,-0.4 -2,-0.3 -52,-0.2 -0.460 48.5-131.5 -59.3 127.3 77.8 5.4 95.4 89 88 A F - 0 0 36 -54,-0.5 -1,-0.1 -2,-0.2 -54,-0.1 -0.697 15.1-160.2 -87.2 137.4 76.7 2.1 97.0 90 89 A C > - 0 0 10 -2,-0.4 3,-1.0 1,-0.2 54,-0.2 -0.833 6.9-175.1-119.1 90.9 73.5 2.0 99.0 91 90 A P T 3 S+ 0 0 100 0, 0.0 -1,-0.2 0, 0.0 54,-0.1 0.848 81.2 59.7 -57.5 -37.0 73.6 -1.0 101.3 92 91 A C T 3 S- 0 0 55 52,-0.4 2,-0.4 1,-0.2 53,-0.1 0.847 97.7-147.0 -63.8 -34.5 70.1 -0.4 102.6 93 92 A G E < -G 144 0B 16 -3,-1.0 51,-3.9 51,-0.5 2,-0.2 -0.821 29.4 -35.7 104.7-144.2 68.5 -0.6 99.2 94 93 A S E >> -G 143 0B 11 -2,-0.4 4,-1.9 49,-0.3 3,-0.7 -0.685 49.8-100.0-124.5 169.2 65.5 1.2 97.8 95 94 A L H 3> S+ 0 0 0 47,-2.9 4,-2.5 44,-0.7 45,-0.2 0.796 119.2 66.3 -53.5 -31.0 62.1 2.7 98.7 96 95 A Y H 34 S+ 0 0 117 43,-1.4 4,-0.4 46,-0.3 -1,-0.3 0.935 102.6 42.4 -57.4 -50.2 60.8 -0.5 97.1 97 96 A T H X4 S+ 0 0 60 -3,-0.7 3,-1.0 42,-0.2 4,-0.4 0.868 109.8 58.1 -68.8 -34.6 62.2 -2.8 99.8 98 97 A V H >< S+ 0 0 6 -4,-1.9 3,-2.2 1,-0.3 6,-0.2 0.954 105.0 51.3 -54.4 -48.7 61.1 -0.3 102.5 99 98 A L T 3< S+ 0 0 13 -4,-2.5 -1,-0.3 1,-0.3 -2,-0.2 0.576 98.6 66.2 -66.4 -11.7 57.6 -0.8 101.2 100 99 A E T < S+ 0 0 124 -3,-1.0 -1,-0.3 -4,-0.4 -2,-0.2 0.516 76.8 110.2 -84.7 -7.5 58.1 -4.6 101.5 101 100 A E S X S- 0 0 87 -3,-2.2 3,-2.1 -4,-0.4 4,-0.2 -0.557 75.4-131.9 -67.4 125.7 58.3 -4.1 105.2 102 101 A P G > S+ 0 0 112 0, 0.0 3,-2.2 0, 0.0 -1,-0.1 0.868 105.6 58.0 -41.4 -51.1 55.2 -5.6 106.9 103 102 A S G 3 S+ 0 0 100 1,-0.3 3,-0.3 2,-0.1 -4,-0.1 0.679 104.0 54.0 -60.3 -19.1 54.6 -2.5 109.0 104 103 A N G X S+ 0 0 10 -3,-2.1 3,-2.8 -6,-0.2 -1,-0.3 0.354 70.4 114.2 -97.0 7.1 54.4 -0.5 105.8 105 104 A A T < S+ 0 0 54 -3,-2.2 -1,-0.2 1,-0.3 -2,-0.1 0.602 87.1 36.0 -53.4 -16.1 51.7 -2.7 104.3 106 105 A Y T 3 S- 0 0 151 1,-0.6 162,-1.3 -3,-0.3 111,-0.3 -0.007 133.4 -66.3-127.1 27.4 49.2 0.3 104.5 107 106 A G < - 0 0 2 -3,-2.8 -1,-0.6 109,-0.2 108,-0.3 -0.303 63.1 -65.1 110.7 165.3 51.7 3.1 103.7 108 107 A L - 0 0 0 106,-3.4 2,-0.2 -2,-0.1 160,-0.1 -0.336 58.7 -91.1 -78.0 165.1 54.7 4.7 105.4 109 108 A P >> - 0 0 58 0, 0.0 4,-2.6 0, 0.0 3,-0.6 -0.529 41.1-107.1 -70.7 149.0 54.6 6.6 108.6 110 109 A E H 3> S+ 0 0 16 158,-0.4 4,-2.6 1,-0.3 5,-0.2 0.862 119.8 56.7 -47.1 -41.0 54.0 10.3 108.3 111 110 A S H 3> S+ 0 0 76 2,-0.2 4,-1.4 1,-0.2 -1,-0.3 0.922 111.8 37.9 -63.4 -46.2 57.6 10.8 109.2 112 111 A E H X> S+ 0 0 30 -3,-0.6 4,-3.2 2,-0.2 3,-0.5 0.966 114.2 55.8 -66.7 -48.7 59.1 8.7 106.5 113 112 A F H 3X S+ 0 0 0 -4,-2.6 4,-3.5 1,-0.3 -2,-0.2 0.908 107.5 48.7 -48.1 -49.6 56.5 9.8 104.0 114 113 A L H 3X S+ 0 0 46 -4,-2.6 4,-2.5 -5,-0.3 -1,-0.3 0.852 112.4 49.4 -60.6 -36.2 57.4 13.5 104.6 115 114 A I H <>S+ 0 0 0 -4,-2.4 5,-2.7 1,-0.2 3,-0.8 0.938 112.1 49.4 -53.6 -49.4 67.0 17.3 87.4 128 127 A R H ><5S+ 0 0 80 -4,-2.2 3,-1.4 1,-0.3 -1,-0.2 0.870 106.8 55.0 -63.0 -38.1 64.7 20.1 86.3 129 128 A E H 3<5S+ 0 0 129 -4,-2.3 -1,-0.3 1,-0.3 -2,-0.2 0.735 112.2 44.9 -65.2 -23.8 67.4 22.7 87.0 130 129 A N T <<5S- 0 0 43 -4,-1.2 -1,-0.3 -3,-0.8 -2,-0.2 0.067 115.7-112.8-107.5 21.8 69.7 20.7 84.7 131 130 A G T < 5 + 0 0 11 -3,-1.4 34,-3.2 1,-0.2 -3,-0.2 0.616 69.3 144.4 61.0 15.2 67.1 20.1 81.9 132 131 A I E < -I 164 0C 8 -5,-2.7 2,-0.4 32,-0.2 32,-0.2 -0.538 36.8-163.5 -89.8 150.9 67.0 16.4 82.7 133 132 A V E -I 163 0C 6 30,-2.2 30,-1.4 -2,-0.2 67,-0.1 -0.999 4.1-163.7-126.4 128.2 64.1 14.0 82.5 134 133 A H - 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