==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=2-OCT-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 13-DEC-04 1Y8N . COMPND 2 MOLECULE: [PYRUVATE DEHYDROGENASE [LIPOAMIDE]] KINASE ISOZY . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR M.KATO,J.L.CHUANG,R.M.WYNN,D.T.CHUANG . 471 5 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 24889.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 336 71.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 8 1.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 65 13.8 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 . 2 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 0.6 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 . 31 6.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 49 10.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 167 35.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 0.6 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 0 1 1 0 1 1 0 0 0 0 1 1 1 0 1 0 0 2 0 0 0 0 0 0 1 RESIDUES PER ALPHA HELIX . 0 0 0 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 PARALLEL BRIDGES PER LADDER . 2 2 1 2 2 1 1 1 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 1 1 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 13 A P > 0 0 110 0, 0.0 4,-1.7 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 22.6 -59.1 -16.0 86.2 2 14 A K H > + 0 0 162 2,-0.2 4,-2.3 1,-0.1 5,-0.1 0.852 360.0 48.2 -78.4 -37.7 -62.4 -17.9 85.9 3 15 A Q H > S+ 0 0 95 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.824 112.2 51.4 -68.2 -31.4 -64.1 -14.9 87.5 4 16 A I H > S+ 0 0 8 2,-0.2 4,-2.9 3,-0.2 -2,-0.2 0.891 107.6 50.8 -74.6 -41.7 -62.3 -12.7 85.0 5 17 A E H X S+ 0 0 67 -4,-1.7 4,-1.4 2,-0.2 -2,-0.2 0.975 113.6 45.9 -56.3 -50.9 -63.4 -14.8 82.1 6 18 A R H >X S+ 0 0 123 -4,-2.3 3,-0.7 1,-0.2 4,-0.6 0.942 116.4 43.0 -60.8 -49.8 -67.0 -14.6 83.3 7 19 A Y H >< S+ 0 0 6 -4,-2.6 3,-1.4 1,-0.2 -1,-0.2 0.894 109.6 57.4 -68.2 -33.0 -66.9 -10.9 84.0 8 20 A S H 3< S+ 0 0 0 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.756 102.4 57.3 -64.5 -24.9 -65.0 -10.1 80.8 9 21 A R H << S+ 0 0 163 -4,-1.4 -1,-0.3 -3,-0.7 -2,-0.2 0.625 89.9 94.3 -79.2 -13.2 -67.9 -11.9 78.9 10 22 A F S << S- 0 0 16 -3,-1.4 381,-0.3 -4,-0.6 337,-0.3 -0.461 79.0-123.3 -77.2 149.2 -70.4 -9.4 80.5 11 23 A S - 0 0 18 379,-2.3 33,-0.1 -2,-0.1 -2,-0.1 -0.771 24.6-115.0 -94.0 134.1 -71.3 -6.3 78.5 12 24 A P - 0 0 6 0, 0.0 332,-0.1 0, 0.0 -1,-0.1 -0.341 19.0-129.9 -56.2 151.7 -70.7 -2.8 79.9 13 25 A S - 0 0 2 411,-0.1 2,-0.3 27,-0.1 411,-0.1 -0.869 23.0-149.4-105.3 100.7 -73.6 -0.6 80.7 14 26 A P - 0 0 38 0, 0.0 2,-0.3 0, 0.0 327,-0.0 -0.540 12.9-155.7 -73.5 133.8 -72.9 2.8 79.0 15 27 A L - 0 0 17 -2,-0.3 327,-2.8 4,-0.0 2,-0.2 -0.785 5.0-133.6-106.4 154.4 -74.4 5.8 80.9 16 28 A S B > -A 341 0A 5 -2,-0.3 4,-2.8 325,-0.3 325,-0.2 -0.669 23.7-117.0-102.9 159.2 -75.4 9.2 79.6 17 29 A I H > S+ 0 0 0 323,-1.6 4,-3.3 320,-0.5 5,-0.3 0.949 119.0 57.0 -57.7 -44.4 -74.7 12.6 81.1 18 30 A K H > S+ 0 0 87 319,-1.3 4,-3.8 1,-0.2 5,-0.3 0.924 107.7 47.0 -48.5 -50.8 -78.5 13.0 81.3 19 31 A Q H > S+ 0 0 76 318,-0.2 4,-2.9 2,-0.2 -2,-0.2 0.935 111.9 48.4 -62.7 -47.9 -78.7 9.8 83.4 20 32 A F H X S+ 0 0 14 -4,-2.8 4,-2.4 2,-0.2 -1,-0.2 0.953 117.9 43.2 -53.2 -51.2 -75.8 10.8 85.7 21 33 A L H X S+ 0 0 5 -4,-3.3 4,-2.8 2,-0.2 5,-0.4 0.938 114.3 47.9 -60.8 -51.4 -77.5 14.2 86.1 22 34 A D H X>S+ 0 0 49 -4,-3.8 4,-1.3 -5,-0.3 5,-1.1 0.864 113.3 51.0 -60.3 -35.2 -81.1 12.9 86.5 23 35 A F H X>S+ 0 0 49 -4,-2.9 5,-2.5 -5,-0.3 4,-0.7 0.949 115.7 38.3 -68.8 -45.6 -79.7 10.4 89.0 24 36 A G H <5S+ 0 0 8 -4,-2.4 -2,-0.2 -5,-0.2 -1,-0.2 0.833 122.5 40.0 -76.1 -35.3 -77.9 12.9 91.2 25 37 A R H <5S+ 0 0 131 -4,-2.8 -3,-0.2 -5,-0.2 -2,-0.1 0.970 129.7 21.6 -74.6 -57.8 -80.4 15.8 91.0 26 38 A D H <5S+ 0 0 120 -4,-1.3 -3,-0.2 -5,-0.4 -2,-0.1 0.840 137.0 17.0 -88.7 -41.3 -83.8 14.0 91.2 27 39 A N T << + 0 0 92 -5,-1.1 -3,-0.2 -4,-0.7 -4,-0.1 0.846 58.2 171.7 -96.1 -85.1 -83.0 10.6 92.8 28 40 A A < + 0 0 44 -5,-2.5 2,-0.6 1,-0.2 -4,-0.1 0.968 22.0 164.1 62.5 57.1 -79.5 10.4 94.6 29 41 A C > - 0 0 35 -6,-0.2 4,-1.8 1,-0.2 -1,-0.2 -0.926 29.9-158.3-110.0 112.7 -80.2 7.0 96.2 30 42 A E H > S+ 0 0 54 -2,-0.6 4,-3.0 1,-0.2 5,-0.3 0.869 89.7 58.7 -59.2 -42.7 -77.1 5.3 97.4 31 43 A K H > S+ 0 0 97 1,-0.2 4,-2.8 2,-0.2 5,-0.3 0.945 106.8 48.1 -49.7 -54.4 -78.6 1.8 97.3 32 44 A T H > S+ 0 0 76 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.910 114.0 47.3 -55.5 -46.8 -79.2 2.1 93.6 33 45 A S H X S+ 0 0 15 -4,-1.8 4,-3.6 2,-0.2 5,-0.2 0.927 112.3 47.2 -62.8 -53.3 -75.7 3.4 93.0 34 46 A Y H X S+ 0 0 0 -4,-3.0 4,-3.1 2,-0.2 5,-0.3 0.916 112.2 51.1 -51.4 -48.3 -73.9 0.8 95.0 35 47 A M H < S+ 0 0 81 -4,-2.8 4,-0.5 -5,-0.3 -2,-0.2 0.874 115.2 43.8 -61.6 -39.4 -76.0 -2.0 93.3 36 48 A F H >X S+ 0 0 43 -4,-2.1 4,-2.9 -5,-0.3 3,-1.0 0.971 117.8 42.9 -66.9 -53.8 -75.1 -0.6 90.0 37 49 A L H 3X S+ 0 0 4 -4,-3.6 4,-2.2 1,-0.3 -2,-0.2 0.814 102.3 64.2 -69.1 -31.3 -71.4 -0.0 90.8 38 50 A R H 3< S+ 0 0 29 -4,-3.1 -1,-0.3 -5,-0.2 44,-0.1 0.769 118.0 30.8 -64.6 -21.7 -70.6 -3.3 92.6 39 51 A K H <> S+ 0 0 44 -3,-1.0 4,-1.9 -4,-0.5 -2,-0.2 0.854 118.0 52.8 -99.9 -44.3 -71.4 -5.0 89.3 40 52 A E H X S+ 0 0 3 -4,-2.9 4,-2.7 2,-0.2 -3,-0.2 0.846 104.5 53.9 -66.1 -37.6 -70.3 -2.5 86.7 41 53 A L H X S+ 0 0 4 -4,-2.2 4,-3.0 2,-0.2 5,-0.2 0.968 110.7 44.5 -68.1 -48.2 -66.8 -1.8 88.0 42 54 A P H > S+ 0 0 0 0, 0.0 4,-2.8 0, 0.0 5,-0.3 0.893 112.4 55.1 -57.9 -38.4 -65.7 -5.5 88.0 43 55 A V H X S+ 0 0 0 -4,-1.9 4,-2.3 1,-0.2 -2,-0.2 0.977 110.9 44.3 -58.5 -50.1 -67.3 -5.8 84.6 44 56 A R H X S+ 0 0 0 -4,-2.7 4,-2.0 1,-0.2 -1,-0.2 0.931 114.7 47.2 -63.5 -43.9 -65.3 -2.9 83.3 45 57 A L H X S+ 0 0 5 -4,-3.0 4,-3.0 1,-0.2 -1,-0.2 0.881 111.3 51.3 -63.3 -39.9 -62.0 -4.1 84.8 46 58 A A H X S+ 0 0 0 -4,-2.8 4,-2.0 -5,-0.2 -38,-0.2 0.870 107.0 53.6 -67.4 -36.6 -62.5 -7.6 83.6 47 59 A N H X S+ 0 0 1 -4,-2.3 4,-1.1 -5,-0.3 -2,-0.2 0.946 114.2 42.7 -62.4 -44.2 -63.1 -6.4 80.0 48 60 A T H >X S+ 0 0 4 -4,-2.0 4,-2.4 1,-0.2 3,-0.8 0.950 111.2 54.0 -65.5 -50.5 -59.9 -4.5 80.1 49 61 A M H 3X S+ 0 0 5 -4,-3.0 4,-2.3 1,-0.3 -1,-0.2 0.850 102.9 57.4 -52.9 -38.6 -57.8 -7.2 81.8 50 62 A R H 3< S+ 0 0 56 -4,-2.0 4,-0.3 1,-0.2 -1,-0.3 0.897 109.0 46.3 -62.3 -38.3 -58.8 -9.7 79.2 51 63 A E H X< S+ 0 0 4 -4,-1.1 3,-1.5 -3,-0.8 4,-0.4 0.891 106.0 58.3 -72.9 -39.8 -57.3 -7.4 76.5 52 64 A V H >< S+ 0 0 4 -4,-2.4 3,-1.6 1,-0.3 -2,-0.2 0.929 102.0 55.6 -58.5 -37.8 -54.1 -6.8 78.5 53 65 A N T 3< S+ 0 0 77 -4,-2.3 -1,-0.3 1,-0.3 -2,-0.2 0.630 101.0 60.5 -65.0 -13.9 -53.5 -10.6 78.4 54 66 A L T < S+ 0 0 37 -3,-1.5 -1,-0.3 -4,-0.3 -2,-0.2 0.511 79.5 111.2 -90.5 -4.3 -53.7 -10.4 74.7 55 67 A L S < S- 0 0 4 -3,-1.6 300,-0.0 -4,-0.4 -3,-0.0 -0.178 87.5 -82.0 -57.6 157.3 -50.8 -8.0 74.3 56 68 A P >> - 0 0 39 0, 0.0 4,-2.8 0, 0.0 3,-1.8 -0.404 40.9-119.0 -61.5 146.2 -47.6 -9.4 72.7 57 69 A D H 3> S+ 0 0 120 1,-0.3 4,-2.4 2,-0.2 5,-0.1 0.835 113.2 63.5 -60.1 -33.4 -45.5 -11.3 75.4 58 70 A N H 34 S+ 0 0 72 2,-0.2 -1,-0.3 1,-0.2 4,-0.1 0.755 113.1 34.5 -60.2 -28.6 -42.7 -8.9 74.9 59 71 A L H X4 S+ 0 0 0 -3,-1.8 3,-1.9 2,-0.1 6,-0.3 0.842 113.7 57.0 -89.6 -48.4 -44.9 -6.1 76.2 60 72 A L H 3< S+ 0 0 45 -4,-2.8 6,-0.2 1,-0.3 -2,-0.2 0.811 102.3 61.6 -45.7 -36.7 -46.8 -8.2 78.7 61 73 A N T 3< S+ 0 0 101 -4,-2.4 -1,-0.3 -5,-0.2 -2,-0.1 0.670 74.6 109.1 -65.2 -26.8 -43.4 -9.0 80.2 62 74 A R S X> S- 0 0 29 -3,-1.9 4,-2.2 1,-0.2 3,-0.6 -0.386 73.9-131.0 -62.9 129.2 -42.6 -5.4 81.1 63 75 A P H 3> S+ 0 0 87 0, 0.0 4,-2.0 0, 0.0 -1,-0.2 0.807 107.3 58.0 -47.6 -35.0 -42.7 -5.0 84.9 64 76 A S H 3> S+ 0 0 16 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.934 106.7 46.5 -65.8 -43.3 -44.8 -1.9 84.5 65 77 A V H <> S+ 0 0 2 -3,-0.6 4,-2.6 -6,-0.3 -1,-0.2 0.961 112.5 50.7 -62.6 -48.8 -47.5 -3.9 82.6 66 78 A G H X S+ 0 0 32 -4,-2.2 4,-2.4 1,-0.2 -1,-0.2 0.834 109.6 51.6 -53.4 -36.8 -47.3 -6.6 85.3 67 79 A L H X S+ 0 0 82 -4,-2.0 4,-2.2 -5,-0.2 -1,-0.2 0.937 109.5 48.0 -69.9 -45.6 -47.8 -4.0 88.0 68 80 A V H X S+ 0 0 3 -4,-2.3 4,-2.3 2,-0.2 -2,-0.2 0.918 111.9 53.0 -56.4 -43.2 -50.8 -2.4 86.3 69 81 A Q H X S+ 0 0 39 -4,-2.6 4,-2.7 1,-0.3 -2,-0.2 0.931 109.0 45.4 -66.0 -48.8 -52.2 -5.9 85.9 70 82 A S H X S+ 0 0 58 -4,-2.4 4,-2.5 2,-0.2 -1,-0.3 0.823 109.6 57.4 -64.8 -30.1 -51.9 -6.9 89.6 71 83 A W H X S+ 0 0 48 -4,-2.2 4,-1.8 2,-0.2 -2,-0.2 0.937 110.4 44.1 -62.8 -42.5 -53.4 -3.5 90.5 72 84 A Y H X S+ 0 0 1 -4,-2.3 4,-3.2 2,-0.2 -2,-0.2 0.939 112.4 51.3 -66.2 -45.0 -56.4 -4.3 88.5 73 85 A M H X S+ 0 0 56 -4,-2.7 4,-2.8 1,-0.3 5,-0.2 0.924 110.4 50.3 -56.4 -47.0 -56.6 -7.8 89.8 74 86 A Q H X S+ 0 0 95 -4,-2.5 4,-1.7 1,-0.2 -1,-0.3 0.839 112.9 45.4 -62.6 -36.2 -56.4 -6.4 93.3 75 87 A S H X S+ 0 0 0 -4,-1.8 4,-2.8 2,-0.2 -2,-0.2 0.928 111.3 52.3 -71.8 -44.9 -59.2 -4.0 92.6 76 88 A F H X S+ 0 0 0 -4,-3.2 4,-2.5 2,-0.2 -2,-0.2 0.960 111.3 46.9 -55.3 -54.7 -61.4 -6.6 90.9 77 89 A L H X S+ 0 0 99 -4,-2.8 4,-0.9 1,-0.2 -1,-0.2 0.912 111.7 50.8 -56.7 -43.9 -61.1 -9.0 93.9 78 90 A E H >< S+ 0 0 35 -4,-1.7 3,-0.7 -5,-0.2 -1,-0.2 0.922 113.2 45.7 -60.7 -42.7 -61.8 -6.2 96.4 79 91 A L H >< S+ 0 0 2 -4,-2.8 3,-1.9 1,-0.2 -1,-0.2 0.870 102.3 64.8 -66.2 -35.4 -64.9 -5.2 94.5 80 92 A L H >< S+ 0 0 29 -4,-2.5 3,-1.6 1,-0.3 4,-0.2 0.751 85.5 75.9 -64.6 -20.1 -66.1 -8.8 94.1 81 93 A E T << S+ 0 0 121 -4,-0.9 3,-0.3 -3,-0.7 -1,-0.3 0.616 89.0 58.3 -63.3 -14.8 -66.5 -9.0 97.9 82 94 A Y T X S+ 0 0 22 -3,-1.9 3,-1.6 1,-0.2 -1,-0.3 0.512 73.0 98.3 -95.9 -3.9 -69.7 -6.9 97.6 83 95 A E T < S+ 0 0 37 -3,-1.6 -1,-0.2 1,-0.3 -2,-0.1 0.800 100.2 25.0 -56.7 -29.9 -71.6 -9.3 95.3 84 96 A N T 3 S+ 0 0 141 -3,-0.3 2,-0.6 -4,-0.2 -1,-0.3 0.104 94.6 108.2-124.7 20.9 -73.5 -10.8 98.2 85 97 A K S < S- 0 0 84 -3,-1.6 -3,-0.0 7,-0.0 -4,-0.0 -0.906 70.2-126.1-101.1 118.1 -73.3 -8.0 100.8 86 98 A S > - 0 0 58 -2,-0.6 3,-0.8 1,-0.1 6,-0.3 -0.347 4.2-141.6 -71.7 138.6 -76.8 -6.5 101.1 87 99 A P T 3 S+ 0 0 13 0, 0.0 6,-0.2 0, 0.0 -1,-0.1 0.624 94.0 79.1 -65.0 -17.5 -77.4 -2.7 100.7 88 100 A E T 3 S+ 0 0 133 2,-0.1 3,-0.0 4,-0.1 -57,-0.0 0.800 80.1 73.6 -68.3 -29.9 -80.0 -2.8 103.6 89 101 A D S <> S- 0 0 78 -3,-0.8 4,-1.1 1,-0.1 3,-0.3 -0.781 73.8-159.2 -76.2 120.3 -77.1 -2.8 106.0 90 102 A P H > S+ 0 0 96 0, 0.0 4,-1.8 0, 0.0 -1,-0.1 0.678 88.6 69.1 -77.2 -18.7 -75.8 0.9 105.8 91 103 A Q H > S+ 0 0 117 2,-0.2 4,-2.2 1,-0.2 5,-0.2 0.890 97.2 49.8 -55.0 -48.4 -72.5 -0.4 107.2 92 104 A V H > S+ 0 0 14 -3,-0.3 4,-2.4 -6,-0.3 5,-0.2 0.928 107.0 56.5 -61.4 -46.1 -71.8 -2.2 103.9 93 105 A L H X S+ 0 0 18 -4,-1.1 4,-1.8 1,-0.2 -1,-0.2 0.897 108.0 47.6 -49.1 -46.3 -72.7 1.1 102.2 94 106 A D H X S+ 0 0 84 -4,-1.8 4,-1.6 1,-0.2 -2,-0.2 0.922 111.9 47.0 -67.6 -45.0 -70.0 2.8 104.2 95 107 A N H X S+ 0 0 66 -4,-2.2 4,-2.4 2,-0.2 -1,-0.2 0.839 108.5 55.6 -64.9 -37.3 -67.2 0.3 103.6 96 108 A F H X S+ 0 0 0 -4,-2.4 4,-2.7 2,-0.2 -1,-0.2 0.932 105.2 53.3 -59.8 -47.0 -67.9 0.1 99.9 97 109 A L H X S+ 0 0 9 -4,-1.8 4,-1.7 -5,-0.2 -2,-0.2 0.900 109.7 48.5 -52.6 -43.2 -67.4 3.9 99.8 98 110 A Q H X S+ 0 0 90 -4,-1.6 4,-2.7 1,-0.2 -2,-0.2 0.884 108.5 53.4 -66.9 -37.1 -64.0 3.3 101.5 99 111 A V H X S+ 0 0 19 -4,-2.4 4,-2.3 2,-0.2 5,-0.2 0.907 105.3 54.4 -64.1 -39.7 -63.1 0.6 99.0 100 112 A L H X S+ 0 0 0 -4,-2.7 4,-2.2 2,-0.2 -1,-0.2 0.929 110.3 46.0 -59.7 -43.7 -63.9 3.0 96.1 101 113 A I H X S+ 0 0 55 -4,-1.7 4,-2.6 1,-0.2 5,-0.2 0.941 109.8 55.7 -61.0 -47.7 -61.5 5.6 97.6 102 114 A K H X S+ 0 0 117 -4,-2.7 4,-2.1 1,-0.2 -1,-0.2 0.851 112.2 41.5 -54.9 -40.7 -58.9 2.8 98.1 103 115 A V H X S+ 0 0 6 -4,-2.3 4,-1.9 2,-0.2 -1,-0.2 0.780 108.9 57.2 -85.1 -27.2 -59.1 1.8 94.4 104 116 A R H < S+ 0 0 49 -4,-2.2 -2,-0.2 -5,-0.2 4,-0.2 0.955 113.0 44.0 -61.1 -45.0 -59.1 5.3 93.0 105 117 A N H >< S+ 0 0 89 -4,-2.6 3,-1.9 1,-0.2 4,-0.2 0.931 110.5 52.0 -62.6 -49.1 -55.9 5.8 95.0 106 118 A R H >< S+ 0 0 45 -4,-2.1 3,-0.5 1,-0.3 -1,-0.2 0.853 112.2 48.3 -57.1 -34.3 -54.4 2.5 93.9 107 119 A H G >< S+ 0 0 3 -4,-1.9 3,-1.3 1,-0.2 4,-0.4 0.338 79.9 104.9 -88.0 0.6 -55.1 3.5 90.3 108 120 A N G < S+ 0 0 89 -3,-1.9 -1,-0.2 1,-0.2 -2,-0.1 0.745 87.1 37.1 -49.9 -32.6 -53.6 7.0 90.6 109 121 A D G <> S+ 0 0 96 -3,-0.5 4,-2.7 -4,-0.2 -1,-0.2 0.309 82.6 107.5-109.9 6.2 -50.5 6.1 88.6 110 122 A V H <> S+ 0 0 0 -3,-1.3 4,-3.1 2,-0.2 5,-0.3 0.914 75.9 54.2 -50.8 -53.5 -52.0 3.8 86.0 111 123 A V H > S+ 0 0 41 -4,-0.4 4,-2.1 1,-0.2 -1,-0.2 0.922 117.3 33.2 -53.3 -60.6 -51.6 6.2 83.1 112 124 A P H > S+ 0 0 60 0, 0.0 4,-3.0 0, 0.0 -1,-0.2 0.836 115.6 58.4 -70.0 -28.2 -47.9 6.9 83.4 113 125 A T H X S+ 0 0 21 -4,-2.7 4,-2.1 2,-0.2 -2,-0.2 0.930 110.8 42.9 -63.6 -43.2 -47.2 3.3 84.7 114 126 A M H X S+ 0 0 2 -4,-3.1 4,-2.1 -5,-0.2 5,-0.2 0.899 111.8 54.9 -62.2 -43.3 -48.6 1.9 81.5 115 127 A A H X S+ 0 0 5 -4,-2.1 4,-2.2 -5,-0.3 -2,-0.2 0.934 106.2 51.4 -57.3 -45.7 -46.8 4.6 79.6 116 128 A Q H X S+ 0 0 110 -4,-3.0 4,-3.5 1,-0.2 5,-0.2 0.935 106.4 57.6 -55.8 -47.8 -43.6 3.4 81.2 117 129 A G H X S+ 0 0 0 -4,-2.1 4,-2.2 1,-0.2 -1,-0.2 0.915 108.8 41.3 -43.7 -57.9 -44.5 -0.1 80.1 118 130 A V H X S+ 0 0 0 -4,-2.1 4,-2.4 2,-0.2 -1,-0.2 0.820 114.7 51.7 -75.5 -26.8 -44.7 0.7 76.4 119 131 A I H X S+ 0 0 51 -4,-2.2 4,-2.8 -5,-0.2 5,-0.3 0.969 108.9 51.1 -66.0 -52.2 -41.7 3.0 76.4 120 132 A E H < S+ 0 0 51 -4,-3.5 4,-0.3 1,-0.2 -2,-0.2 0.915 113.9 46.5 -44.0 -48.8 -39.7 0.1 78.1 121 133 A Y H >X S+ 0 0 10 -4,-2.2 4,-2.1 -5,-0.2 3,-0.6 0.885 113.7 45.3 -69.3 -43.1 -40.9 -2.1 75.3 122 134 A K H 3X S+ 0 0 71 -4,-2.4 4,-2.8 1,-0.2 -2,-0.2 0.950 112.6 49.0 -65.4 -52.4 -40.2 0.2 72.4 123 135 A E H 3< S+ 0 0 157 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.444 121.6 38.3 -71.7 1.8 -36.7 1.2 73.5 124 136 A K H <4 S+ 0 0 142 -3,-0.6 -1,-0.2 -4,-0.3 -2,-0.2 0.558 130.9 23.1-122.5 -21.7 -35.9 -2.5 74.1 125 137 A F H < S- 0 0 92 -4,-2.1 -3,-0.2 -3,-0.2 -2,-0.2 0.437 104.7-121.5-125.2 -2.6 -37.7 -4.2 71.1 126 138 A G < - 0 0 36 -4,-2.8 2,-0.6 -5,-0.3 -2,-0.1 0.119 30.4 -65.9 85.9 162.5 -38.0 -1.4 68.5 127 139 A F + 0 0 81 -4,-0.0 -1,-0.0 4,-0.0 -5,-0.0 -0.804 56.2 179.4 -91.5 117.9 -40.8 0.3 66.6 128 140 A D > - 0 0 45 -2,-0.6 4,-0.9 1,-0.1 -2,-0.0 -0.747 30.2-117.0-114.9 163.1 -42.6 -2.1 64.2 129 141 A P H > S+ 0 0 103 0, 0.0 4,-1.3 0, 0.0 3,-0.5 0.993 102.1 24.6 -62.7 -83.4 -45.6 -1.7 61.7 130 142 A F H > S+ 0 0 79 1,-0.2 4,-1.7 2,-0.2 5,-0.1 0.843 120.2 57.8 -57.5 -36.5 -48.5 -3.9 62.6 131 143 A I H > S+ 0 0 30 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.907 102.1 56.0 -62.6 -42.8 -47.6 -4.1 66.4 132 144 A S H X S+ 0 0 3 -4,-0.9 4,-2.6 -3,-0.5 3,-0.3 0.940 107.4 46.4 -53.1 -51.5 -47.7 -0.4 66.7 133 145 A T H X S+ 0 0 87 -4,-1.3 4,-2.6 1,-0.3 -1,-0.2 0.839 111.0 56.3 -67.8 -27.2 -51.3 -0.1 65.5 134 146 A N H X S+ 0 0 16 -4,-1.7 4,-2.1 -5,-0.2 -1,-0.3 0.899 107.7 44.4 -64.4 -42.4 -52.1 -2.9 67.8 135 147 A I H X S+ 0 0 2 -4,-2.2 4,-3.0 -3,-0.3 5,-0.2 0.855 111.8 56.3 -71.1 -33.5 -50.8 -1.1 70.8 136 148 A Q H X S+ 0 0 35 -4,-2.6 4,-2.5 -5,-0.2 5,-0.3 0.967 106.8 47.6 -58.0 -56.6 -52.6 2.0 69.5 137 149 A Y H X S+ 0 0 45 -4,-2.6 4,-1.6 1,-0.2 -2,-0.2 0.914 114.8 48.5 -49.0 -46.4 -55.9 0.1 69.5 138 150 A F H X S+ 0 0 3 -4,-2.1 4,-3.3 2,-0.2 -2,-0.2 0.915 110.1 48.1 -66.8 -45.2 -55.1 -1.2 73.0 139 151 A L H X S+ 0 0 0 -4,-3.0 4,-3.4 1,-0.2 5,-0.5 0.927 108.1 54.2 -68.2 -42.3 -54.2 2.1 74.6 140 152 A D H X S+ 0 0 31 -4,-2.5 4,-1.9 -5,-0.2 -1,-0.2 0.936 115.8 41.1 -51.6 -45.0 -57.2 4.0 73.3 141 153 A R H X S+ 0 0 45 -4,-1.6 4,-2.8 -5,-0.3 5,-0.2 0.945 116.5 47.4 -72.8 -46.4 -59.3 1.3 74.8 142 154 A F H X S+ 0 0 2 -4,-3.3 4,-2.1 1,-0.2 -2,-0.2 0.925 114.2 45.5 -62.1 -47.8 -57.4 1.0 78.0 143 155 A Y H X S+ 0 0 2 -4,-3.4 4,-2.4 2,-0.2 -1,-0.2 0.894 112.6 52.4 -68.4 -35.0 -57.2 4.7 78.7 144 156 A T H X S+ 0 0 5 -4,-1.9 4,-2.5 -5,-0.5 -2,-0.2 0.972 109.2 47.7 -61.9 -49.1 -60.9 5.2 77.9 145 157 A N H X S+ 0 0 0 -4,-2.8 4,-2.5 1,-0.2 -2,-0.2 0.927 111.4 53.4 -57.4 -37.0 -62.0 2.5 80.3 146 158 A R H X S+ 0 0 24 -4,-2.1 4,-2.0 1,-0.2 -1,-0.2 0.909 106.6 49.9 -66.0 -43.5 -59.7 4.1 82.8 147 159 A I H X S+ 0 0 6 -4,-2.4 4,-2.3 1,-0.2 -1,-0.2 0.892 112.2 51.1 -55.7 -42.0 -61.4 7.5 82.4 148 160 A S H X S+ 0 0 0 -4,-2.5 4,-2.5 2,-0.2 -2,-0.2 0.882 105.6 51.8 -70.4 -38.0 -64.7 5.8 82.8 149 161 A F H X S+ 0 0 3 -4,-2.5 4,-2.8 1,-0.2 5,-0.2 0.952 112.3 48.9 -57.0 -47.8 -63.8 4.0 86.1 150 162 A R H X S+ 0 0 46 -4,-2.0 4,-2.6 1,-0.2 -2,-0.2 0.896 108.9 52.3 -61.8 -41.2 -62.8 7.3 87.4 151 163 A M H X S+ 0 0 3 -4,-2.3 4,-2.0 1,-0.2 -1,-0.2 0.956 111.9 45.3 -56.8 -53.7 -66.0 8.9 86.2 152 164 A L H X S+ 0 0 4 -4,-2.5 4,-1.9 1,-0.2 -2,-0.2 0.920 114.7 47.4 -59.6 -44.8 -68.2 6.3 88.0 153 165 A I H X S+ 0 0 2 -4,-2.8 4,-2.8 1,-0.2 5,-0.3 0.934 110.1 52.7 -64.9 -42.7 -66.2 6.4 91.2 154 166 A N H X S+ 0 0 42 -4,-2.6 4,-2.4 -5,-0.2 5,-0.3 0.869 106.7 53.2 -61.2 -36.5 -66.1 10.2 91.4 155 167 A Q H X S+ 0 0 11 -4,-2.0 4,-2.0 -5,-0.2 -1,-0.2 0.956 113.3 43.2 -63.2 -48.0 -69.9 10.3 91.0 156 168 A H H X S+ 0 0 2 -4,-1.9 4,-2.4 2,-0.2 5,-0.4 0.935 117.0 44.1 -64.6 -47.3 -70.4 8.0 93.9 157 169 A T H X S+ 0 0 16 -4,-2.8 4,-2.2 1,-0.2 6,-0.3 0.904 114.8 48.5 -70.8 -38.8 -67.9 9.5 96.2 158 170 A L H < S+ 0 0 94 -4,-2.4 5,-0.2 -5,-0.3 -1,-0.2 0.873 118.1 41.7 -66.5 -35.0 -68.9 13.1 95.5 159 171 A L H < S+ 0 0 47 -4,-2.0 -2,-0.2 -5,-0.3 -1,-0.2 0.806 133.1 17.5 -83.4 -29.0 -72.5 12.2 96.1 160 172 A F H < S+ 0 0 31 -4,-2.4 -3,-0.2 -5,-0.2 -2,-0.2 0.488 93.5 95.8-123.4 -6.7 -72.3 10.0 99.1 161 173 A G S < S- 0 0 39 -4,-2.2 3,-0.1 -5,-0.4 -3,-0.1 0.596 89.1-129.4 -61.8 -11.3 -68.9 10.7 100.6 162 174 A G - 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