==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=22-JAN-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 13-JAN-12 4DB3 . COMPND 2 MOLECULE: N-ACETYL-D-GLUCOSAMINE KINASE; . SOURCE 2 ORGANISM_SCIENTIFIC: VIBRIO VULNIFICUS; . AUTHOR G.MINASOV,Z.WAWRZAK,O.ONOPRIYENKO,T.SKARINA,L.PAPAZISI,A.SAV . 311 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15286.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 218 70.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 22 7.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 35 11.3 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.3 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 . 21 6.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 36 11.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 93 29.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 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 0 0 1 0 1 2 2 0 1 0 0 0 0 0 0 1 0 0 0 0 0 1 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 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 PARALLEL BRIDGES PER LADDER . 2 1 1 0 0 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 ANTIPARALLEL BRIDGES PER LADDER . 1 0 0 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 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 -7 A N > 0 0 162 0, 0.0 3,-1.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -25.1 21.5 2.6 65.5 2 -6 A L T 3 + 0 0 59 1,-0.2 30,-0.0 59,-0.1 59,-0.0 0.669 360.0 73.5 -75.9 -12.7 18.9 5.3 65.0 3 -5 A Y T 3 + 0 0 182 1,-0.2 2,-2.4 2,-0.1 -1,-0.2 0.577 69.4 90.9 -76.9 -7.5 19.3 6.6 68.6 4 -4 A F S < S+ 0 0 143 -3,-1.1 -1,-0.2 0, 0.0 2,-0.1 -0.465 76.3 179.1 -81.1 66.3 22.6 8.2 67.6 5 -3 A Q - 0 0 136 -2,-2.4 2,-0.2 21,-0.1 -2,-0.1 -0.315 34.6-148.3 -78.2 152.6 20.5 11.2 66.7 6 -2 A S - 0 0 31 2,-0.2 -1,-0.0 -2,-0.1 3,-0.0 -0.532 40.7-105.8 -97.6 174.9 21.5 14.6 65.4 7 -1 A N S S+ 0 0 131 -2,-0.2 2,-0.3 1,-0.1 -1,-0.1 0.921 101.8 35.9 -73.7 -40.1 19.2 17.4 66.6 8 0 A A - 0 0 25 56,-0.0 2,-0.4 58,-0.0 19,-0.3 -0.805 66.3-159.9-113.7 152.6 17.3 17.7 63.3 9 1 A M - 0 0 20 -2,-0.3 58,-2.5 56,-0.3 2,-0.5 -0.999 7.5-151.9-131.4 136.5 16.3 15.2 60.6 10 2 A Y E -Ab 25 67A 23 15,-2.8 15,-2.1 -2,-0.4 2,-0.4 -0.927 6.1-159.5-113.0 123.0 15.4 16.0 57.0 11 3 A Y E -Ab 24 68A 0 56,-3.0 58,-1.7 -2,-0.5 2,-0.4 -0.848 7.2-168.4-100.2 140.2 13.1 13.8 55.0 12 4 A G E -Ab 23 69A 0 11,-2.8 11,-2.2 -2,-0.4 2,-0.4 -0.986 4.9-166.6-127.6 135.4 13.1 13.9 51.2 13 5 A F E -Ab 22 70A 0 56,-1.8 58,-2.9 -2,-0.4 2,-0.7 -0.992 5.0-164.1-121.2 127.4 10.6 12.4 48.8 14 6 A D E -Ab 21 71A 44 7,-2.8 7,-2.6 -2,-0.4 2,-0.7 -0.951 15.2-158.3-110.8 105.5 11.3 12.0 45.1 15 7 A V E +A 20 0A 3 56,-2.9 5,-0.2 -2,-0.7 2,-0.2 -0.805 17.4 173.4 -93.2 114.7 7.9 11.4 43.5 16 8 A G - 0 0 20 3,-2.3 -2,-0.0 -2,-0.7 56,-0.0 -0.664 46.9 -99.8-112.5 170.7 8.1 9.7 40.1 17 9 A G S S+ 0 0 42 -2,-0.2 3,-0.1 1,-0.2 -2,-0.0 0.759 120.5 17.5 -61.6 -26.9 5.5 8.3 37.7 18 10 A T S S+ 0 0 112 1,-0.3 21,-2.9 20,-0.1 2,-0.3 0.722 128.2 31.5-114.4 -38.1 6.1 4.7 38.9 19 11 A K E - C 0 38A 87 19,-0.3 -3,-2.3 21,-0.0 2,-0.5 -0.927 55.3-147.8-130.6 150.2 7.9 5.0 42.3 20 12 A I E -AC 15 37A 0 17,-3.0 17,-2.3 -2,-0.3 2,-0.5 -0.971 22.4-157.5-109.0 125.3 8.1 7.2 45.3 21 13 A E E -AC 14 36A 20 -7,-2.6 -7,-2.8 -2,-0.5 2,-0.3 -0.936 5.2-163.0-110.9 130.6 11.5 7.3 46.9 22 14 A F E +AC 13 35A 0 13,-3.5 13,-1.7 -2,-0.5 2,-0.3 -0.837 9.6 176.1-109.7 145.0 12.1 8.3 50.5 23 15 A G E -AC 12 34A 0 -11,-2.2 -11,-2.8 -2,-0.3 2,-0.4 -0.993 14.6-156.4-145.4 142.0 15.3 9.3 52.2 24 16 A A E -AC 11 33A 0 9,-1.6 8,-2.7 -2,-0.3 9,-1.0 -0.966 15.2-171.9-116.7 138.8 16.1 10.5 55.7 25 17 A F E -AC 10 31A 3 -15,-2.1 -15,-2.8 -2,-0.4 6,-0.2 -0.985 14.0-137.0-133.5 138.8 19.3 12.6 56.4 26 18 A N > - 0 0 20 4,-2.3 3,-1.6 -2,-0.3 -17,-0.1 -0.077 44.7 -83.0 -81.1-172.5 20.9 13.8 59.6 27 19 A E T 3 S+ 0 0 99 -19,-0.3 -18,-0.1 1,-0.3 -1,-0.1 0.758 130.8 57.0 -66.3 -25.8 22.4 17.3 60.3 28 20 A K T 3 S- 0 0 162 2,-0.1 -1,-0.3 1,-0.0 3,-0.1 0.377 119.8-113.9 -82.5 2.4 25.7 16.3 58.7 29 21 A L < + 0 0 21 -3,-1.6 2,-0.4 1,-0.3 -2,-0.1 0.765 67.0 149.7 68.0 30.7 23.5 15.5 55.6 30 22 A E - 0 0 99 1,-0.0 -4,-2.3 2,-0.0 2,-0.4 -0.758 51.3-116.9 -91.7 140.0 24.4 11.9 55.9 31 23 A R E +C 25 0A 79 -2,-0.4 -6,-0.3 -6,-0.2 3,-0.1 -0.652 36.7 170.4 -81.3 126.8 21.7 9.5 54.6 32 24 A V E + 0 0 53 -8,-2.7 2,-0.3 -2,-0.4 -7,-0.2 0.352 61.7 26.7-116.8 0.3 20.4 7.3 57.4 33 25 A A E -C 24 0A 14 -9,-1.0 -9,-1.6 2,-0.0 2,-0.3 -0.952 53.7-173.3-164.7 146.4 17.4 5.6 55.7 34 26 A T E +C 23 0A 82 -2,-0.3 2,-0.3 -11,-0.2 -11,-0.2 -0.999 13.5 156.5-142.8 137.3 16.1 4.6 52.3 35 27 A E E -C 22 0A 49 -13,-1.7 -13,-3.5 -2,-0.3 2,-0.4 -0.966 17.9-160.3-159.3 149.2 12.8 3.2 51.0 36 28 A R E +C 21 0A 130 -2,-0.3 -15,-0.2 -15,-0.2 -2,-0.0 -0.990 11.0 176.5-134.1 141.1 10.7 3.0 47.8 37 29 A V E -C 20 0A 25 -17,-2.3 -17,-3.0 -2,-0.4 2,-0.1 -0.937 39.6 -87.4-138.9 155.9 7.0 2.4 47.3 38 30 A P E -C 19 0A 102 0, 0.0 -19,-0.3 0, 0.0 -20,-0.1 -0.403 38.3-119.2 -69.4 146.7 4.9 2.4 44.2 39 31 A T - 0 0 14 -21,-2.9 2,-0.3 1,-0.1 8,-0.1 -0.751 37.1-111.2 -79.6 120.5 3.3 5.6 43.0 40 32 A P > - 0 0 18 0, 0.0 3,-0.7 0, 0.0 2,-0.3 -0.383 30.1-129.1 -58.3 117.5 -0.4 5.1 43.1 41 33 A T T 3 S- 0 0 115 -2,-0.3 47,-0.0 1,-0.2 -23,-0.0 -0.584 78.5 -23.1 -69.5 128.4 -1.6 5.1 39.6 42 34 A D T 3 S+ 0 0 127 -2,-0.3 2,-0.2 1,-0.1 -1,-0.2 0.711 106.2 112.1 32.4 51.6 -4.5 7.6 39.2 43 35 A D <> + 0 0 65 -3,-0.7 4,-1.6 1,-0.1 5,-0.1 -0.749 37.6 178.4-145.0 90.2 -5.6 7.6 42.9 44 36 A Y H > S+ 0 0 24 -2,-0.2 4,-2.2 1,-0.2 5,-0.2 0.895 81.5 54.3 -67.5 -40.8 -4.9 11.0 44.5 45 37 A P H > S+ 0 0 90 0, 0.0 4,-2.1 0, 0.0 -1,-0.2 0.924 111.6 47.2 -59.2 -36.3 -6.4 10.1 47.9 46 38 A L H > S+ 0 0 82 2,-0.2 4,-2.4 1,-0.2 -2,-0.2 0.799 107.1 57.2 -73.4 -28.8 -4.0 7.1 48.0 47 39 A L H X S+ 0 0 3 -4,-1.6 4,-2.0 2,-0.2 -1,-0.2 0.939 109.8 44.9 -63.7 -47.1 -1.0 9.2 46.9 48 40 A L H X S+ 0 0 15 -4,-2.2 4,-2.7 1,-0.2 5,-0.2 0.911 113.3 50.6 -60.9 -43.7 -1.6 11.5 49.9 49 41 A E H X S+ 0 0 101 -4,-2.1 4,-2.3 -5,-0.2 -2,-0.2 0.901 108.8 51.6 -64.9 -40.4 -2.1 8.5 52.2 50 42 A T H X S+ 0 0 34 -4,-2.4 4,-1.6 2,-0.2 -1,-0.2 0.920 113.8 42.8 -62.8 -45.7 1.2 6.8 51.0 51 43 A I H X S+ 0 0 1 -4,-2.0 4,-2.1 2,-0.2 3,-0.4 0.964 115.5 48.6 -66.0 -50.8 3.3 9.9 51.6 52 44 A A H X S+ 0 0 12 -4,-2.7 4,-2.4 1,-0.2 -2,-0.2 0.853 109.0 55.9 -56.5 -36.9 1.7 10.6 55.0 53 45 A G H X S+ 0 0 36 -4,-2.3 4,-2.3 -5,-0.2 -1,-0.2 0.863 106.2 48.6 -65.1 -39.8 2.2 7.0 55.9 54 46 A L H X S+ 0 0 10 -4,-1.6 4,-2.7 -3,-0.4 5,-0.3 0.940 110.4 51.1 -67.1 -45.2 6.0 7.1 55.3 55 47 A V H X S+ 0 0 2 -4,-2.1 4,-2.2 1,-0.2 11,-0.2 0.933 112.9 46.6 -55.2 -46.8 6.3 10.3 57.3 56 48 A A H X S+ 0 0 60 -4,-2.4 4,-1.8 1,-0.2 -1,-0.2 0.893 111.4 52.4 -64.0 -40.4 4.4 8.6 60.2 57 49 A K H X S+ 0 0 90 -4,-2.3 4,-1.9 1,-0.2 -2,-0.2 0.922 114.7 39.3 -61.3 -49.5 6.6 5.5 59.9 58 50 A Y H X S+ 0 0 12 -4,-2.7 4,-2.6 2,-0.2 6,-0.2 0.817 109.7 60.2 -76.0 -27.9 9.9 7.2 60.1 59 51 A D H X>S+ 0 0 23 -4,-2.2 5,-1.7 -5,-0.3 4,-0.7 0.902 111.0 42.0 -62.4 -42.1 8.7 9.7 62.8 60 52 A Q H <5S+ 0 0 169 -4,-1.8 3,-0.2 3,-0.2 -2,-0.2 0.907 113.7 53.1 -70.9 -38.6 8.0 6.7 65.0 61 53 A E H <5S+ 0 0 91 -4,-1.9 -2,-0.2 1,-0.2 -1,-0.2 0.871 120.1 32.2 -64.6 -37.7 11.2 5.0 64.0 62 54 A F H <5S- 0 0 27 -4,-2.6 -1,-0.2 2,-0.3 -2,-0.2 0.459 103.1-129.8 -96.0 -3.2 13.4 8.0 64.8 63 55 A A T <5S+ 0 0 92 -4,-0.7 2,-0.3 -3,-0.2 -3,-0.2 0.895 77.8 85.3 52.9 45.3 11.1 9.1 67.7 64 56 A C S - 0 0 54 5,-2.7 4,-2.1 -2,-0.4 5,-0.2 -0.647 26.8-140.8 -71.2 123.2 1.6 27.1 40.1 78 70 A A T 4 S+ 0 0 43 -2,-0.5 -1,-0.1 79,-0.3 80,-0.1 0.732 93.7 42.6 -64.0 -25.4 3.0 30.2 41.9 79 71 A D T 4 S+ 0 0 117 78,-0.1 -1,-0.2 1,-0.1 -2,-0.0 0.798 128.5 21.4 -93.9 -32.5 -0.4 31.9 42.2 80 72 A D T 4 S- 0 0 91 2,-0.1 -2,-0.2 -3,-0.1 3,-0.1 0.422 91.1-129.8-118.4 2.1 -2.8 29.0 43.2 81 73 A A < + 0 0 35 -4,-2.1 16,-0.5 1,-0.2 17,-0.4 0.759 59.7 137.0 57.2 30.3 -0.3 26.4 44.7 82 74 A T - 0 0 23 -5,-0.2 -5,-2.7 13,-0.2 2,-0.3 -0.707 58.2 -99.0-100.6 156.2 -1.7 23.5 42.5 83 75 A V E -E 76 0B 1 11,-2.3 10,-3.4 8,-0.5 2,-0.5 -0.595 23.4-159.6 -83.9 136.9 0.6 21.1 40.8 84 76 A L E +E 75 0B 73 -9,-3.1 -9,-1.9 -2,-0.3 2,-0.3 -0.973 40.6 126.8-108.1 117.9 1.5 21.3 37.1 85 77 A T E -E 74 0B 10 -2,-0.5 -11,-0.2 -11,-0.2 7,-0.0 -0.975 43.8-166.5-165.2 157.7 2.7 17.8 35.9 86 78 A V S S+ 0 0 113 -13,-0.6 -12,-0.1 -2,-0.3 -1,-0.1 0.580 90.0 57.0-118.7 -28.8 2.2 15.1 33.3 87 79 A N S S+ 0 0 93 -14,-0.6 3,-0.1 1,-0.3 -13,-0.1 0.626 110.2 43.1 -81.6 -15.4 4.1 12.2 34.8 88 80 A V S >> S+ 0 0 5 -15,-0.3 3,-2.2 1,-0.1 4,-0.5 -0.595 75.5 172.3-123.4 67.9 2.2 12.1 38.1 89 81 A P G >4 + 0 0 81 0, 0.0 3,-1.2 0, 0.0 -1,-0.1 0.771 69.6 64.2 -52.3 -36.8 -1.3 12.6 36.5 90 82 A A G 34 S+ 0 0 17 1,-0.2 -46,-0.1 -50,-0.2 -49,-0.1 0.793 104.5 47.8 -57.7 -29.1 -3.2 12.0 39.7 91 83 A A G X4 S+ 0 0 0 -3,-2.2 3,-2.3 2,-0.1 -8,-0.5 0.599 80.7 125.2 -89.3 -9.1 -1.6 15.2 41.2 92 84 A K T << S- 0 0 129 -3,-1.2 -8,-0.2 -4,-0.5 -6,-0.0 -0.255 87.1 -1.0 -59.2 125.8 -2.3 17.4 38.1 93 85 A G T 3 S+ 0 0 48 -10,-3.4 -1,-0.3 1,-0.2 -9,-0.1 0.453 104.3 128.3 74.9 2.4 -4.2 20.5 39.1 94 86 A K S < S- 0 0 89 -3,-2.3 -11,-2.3 -11,-0.2 2,-2.2 -0.641 70.3-120.9 -93.2 147.8 -4.3 19.4 42.8 95 87 A P > + 0 0 46 0, 0.0 4,-2.7 0, 0.0 5,-0.2 -0.440 45.7 167.9 -82.0 66.0 -3.3 21.5 45.9 96 88 A L H > + 0 0 4 -2,-2.2 4,-2.3 -5,-0.3 5,-0.2 0.862 68.8 49.2 -50.9 -45.3 -0.7 18.8 46.8 97 89 A R H > S+ 0 0 83 -16,-0.5 4,-2.6 -3,-0.2 -1,-0.2 0.949 113.6 44.5 -63.8 -47.1 1.1 20.9 49.4 98 90 A A H > S+ 0 0 53 -17,-0.4 4,-2.2 1,-0.2 -2,-0.2 0.887 114.1 51.0 -65.5 -38.0 -2.0 22.0 51.2 99 91 A D H X S+ 0 0 52 -4,-2.7 4,-1.9 2,-0.2 -1,-0.2 0.892 112.1 45.7 -66.9 -42.2 -3.5 18.5 51.2 100 92 A L H X S+ 0 0 0 -4,-2.3 4,-3.5 -5,-0.2 5,-0.4 0.947 112.1 51.5 -64.7 -48.7 -0.3 16.9 52.6 101 93 A E H X S+ 0 0 58 -4,-2.6 4,-2.3 -5,-0.2 5,-0.3 0.894 111.1 48.3 -55.8 -41.2 0.0 19.6 55.3 102 94 A A H < S+ 0 0 85 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.911 117.6 41.7 -66.4 -41.5 -3.6 19.0 56.3 103 95 A K H < S+ 0 0 93 -4,-1.9 -2,-0.2 -5,-0.2 -1,-0.2 0.926 122.5 36.9 -71.4 -47.6 -3.1 15.2 56.5 104 96 A I H < S- 0 0 32 -4,-3.5 -3,-0.2 2,-0.2 -2,-0.2 0.837 101.5-127.5 -76.6 -37.6 0.4 15.2 58.1 105 97 A G S < S+ 0 0 65 -4,-2.3 2,-0.3 -5,-0.4 -3,-0.1 0.583 74.8 61.9 99.4 11.2 -0.1 18.1 60.4 106 98 A R S S- 0 0 50 -5,-0.3 -1,-0.3 -6,-0.2 -2,-0.2 -0.970 90.1 -60.9-157.9 169.6 2.9 20.2 59.6 107 99 A S - 0 0 95 -2,-0.3 -39,-0.5 -3,-0.1 2,-0.3 -0.102 40.2-169.2 -56.8 148.4 4.7 22.1 56.7 108 100 A V - 0 0 4 -41,-0.1 2,-0.4 -11,-0.0 -39,-0.2 -0.987 10.0-148.1-137.2 139.2 5.8 20.5 53.5 109 101 A K E -d 69 0A 107 -41,-2.0 -39,-2.4 -2,-0.3 2,-0.4 -0.935 12.6-164.6-111.0 138.7 8.1 22.1 50.8 110 102 A I E +d 70 0A 12 -2,-0.4 2,-0.3 -41,-0.2 -39,-0.2 -0.970 13.5 165.2-123.1 139.7 7.6 21.1 47.1 111 103 A E E -d 71 0A 24 -41,-2.3 -39,-1.3 -2,-0.4 2,-0.1 -0.979 42.1 -87.9-151.2 155.9 10.1 21.8 44.3 112 104 A N E > -d 72 0A 26 -2,-0.3 4,-1.9 -41,-0.2 3,-0.4 -0.404 39.9-122.4 -59.9 142.9 10.9 20.7 40.7 113 105 A D H > S+ 0 0 58 -41,-2.3 4,-2.2 1,-0.2 -1,-0.1 0.807 110.4 52.6 -63.4 -31.0 13.1 17.7 40.5 114 106 A A H > S+ 0 0 16 -42,-0.2 4,-1.8 2,-0.2 31,-0.3 0.852 108.0 51.5 -74.5 -33.4 15.8 19.4 38.4 115 107 A N H > S+ 0 0 4 -3,-0.4 4,-2.2 29,-0.2 -2,-0.2 0.882 108.6 53.1 -65.0 -37.6 16.0 22.2 41.0 116 108 A C H X S+ 0 0 0 -4,-1.9 4,-2.5 1,-0.2 -2,-0.2 0.943 105.7 53.3 -62.6 -45.5 16.4 19.4 43.6 117 109 A F H X S+ 0 0 12 -4,-2.2 4,-1.8 1,-0.2 -1,-0.2 0.904 110.1 47.6 -50.8 -47.5 19.3 17.9 41.6 118 110 A A H X S+ 0 0 0 -4,-1.8 4,-2.1 17,-0.2 -1,-0.2 0.888 111.5 49.3 -63.9 -42.5 21.1 21.3 41.6 119 111 A L H X S+ 0 0 1 -4,-2.2 4,-1.2 1,-0.2 -1,-0.2 0.887 108.3 54.9 -65.2 -39.4 20.5 21.8 45.4 120 112 A S H < S+ 0 0 0 -4,-2.5 3,-0.4 179,-0.2 -2,-0.2 0.907 110.6 44.9 -59.4 -43.0 21.9 18.2 46.0 121 113 A E H >< S+ 0 0 1 -4,-1.8 3,-1.5 1,-0.2 6,-0.2 0.882 108.2 58.3 -69.3 -39.5 25.1 19.1 44.1 122 114 A A H 3< S+ 0 0 5 -4,-2.1 -1,-0.2 1,-0.3 8,-0.2 0.719 103.4 53.1 -62.7 -26.6 25.4 22.5 45.9 123 115 A W T 3< S+ 0 0 53 -4,-1.2 -1,-0.3 -3,-0.4 -2,-0.2 0.323 78.4 120.6 -94.3 5.9 25.5 20.8 49.3 124 116 A D S X> S- 0 0 23 -3,-1.5 3,-1.6 1,-0.1 4,-1.2 -0.451 81.3-108.9 -62.1 146.5 28.3 18.4 48.4 125 117 A E T 34 S+ 0 0 164 1,-0.3 4,-0.3 2,-0.2 3,-0.2 0.810 117.2 50.9 -47.5 -38.8 31.2 19.0 50.8 126 118 A E T 34 S+ 0 0 124 1,-0.2 -1,-0.3 2,-0.1 3,-0.1 0.701 115.2 39.9 -78.6 -19.0 33.3 20.7 48.1 127 119 A L T X4 S+ 0 0 5 -3,-1.6 3,-1.8 -6,-0.2 -1,-0.2 0.459 83.0 98.6-108.1 -3.2 30.7 23.2 46.9 128 120 A Q T 3< S+ 0 0 88 -4,-1.2 -1,-0.1 1,-0.3 -2,-0.1 0.773 86.6 49.3 -55.4 -29.5 29.1 24.2 50.3 129 121 A D T 3 S+ 0 0 154 -4,-0.3 -1,-0.3 -3,-0.1 -2,-0.1 0.541 84.1 108.4 -88.2 -9.2 31.3 27.3 50.4 130 122 A A < - 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0 0 87 -5,-0.3 2,-1.0 -6,-0.2 -2,-0.2 -0.937 68.7-129.8-158.3 131.2 22.1 9.7 9.4 213 205 A E + 0 0 162 -2,-0.3 2,-0.3 -6,-0.1 -9,-0.1 -0.734 36.6 166.8 -91.2 99.0 20.6 8.9 12.8 214 206 A K - 0 0 56 -2,-1.0 2,-0.3 -11,-0.3 -7,-0.2 -0.802 35.2-117.1-106.5 153.7 23.4 7.9 15.2 215 207 A K >> - 0 0 124 -2,-0.3 4,-2.1 1,-0.1 3,-0.8 -0.655 28.7-112.1 -89.2 145.1 23.0 7.6 19.0 216 208 A A H 3> S+ 0 0 16 -2,-0.3 4,-2.5 1,-0.3 5,-0.3 0.873 117.4 53.9 -40.1 -52.0 25.2 10.0 21.2 217 209 A I H 3> S+ 0 0 132 1,-0.2 4,-1.8 2,-0.2 -1,-0.3 0.888 110.4 46.1 -53.1 -45.3 27.2 7.0 22.5 218 210 A D H <> S+ 0 0 71 -3,-0.8 4,-2.6 2,-0.2 -1,-0.2 0.829 110.7 52.1 -69.3 -34.8 28.1 5.9 18.9 219 211 A I H X S+ 0 0 0 -4,-2.1 4,-2.2 2,-0.2 -2,-0.2 0.901 111.7 47.1 -67.1 -41.5 29.0 9.4 17.8 220 212 A I H X S+ 0 0 45 -4,-2.5 4,-2.2 -5,-0.3 -2,-0.2 0.838 111.5 52.2 -66.7 -35.1 31.3 9.7 20.7 221 213 A K H X S+ 0 0 140 -4,-1.8 4,-2.2 -5,-0.3 -2,-0.2 0.945 110.1 47.4 -66.8 -45.7 32.7 6.3 19.9 222 214 A A H X>S+ 0 0 20 -4,-2.6 5,-2.9 2,-0.2 4,-2.0 0.883 111.6 50.8 -63.0 -40.5 33.4 7.3 16.3 223 215 A N H <5S+ 0 0 34 -4,-2.2 -1,-0.2 3,-0.2 -2,-0.2 0.938 110.5 48.8 -61.3 -48.8 35.0 10.6 17.4 224 216 A A H <5S+ 0 0 86 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.868 112.8 48.6 -57.4 -40.4 37.3 8.7 19.8 225 217 A A H <5S- 0 0 91 -4,-2.2 -1,-0.2 -5,-0.1 -2,-0.2 0.802 124.2-104.0 -71.8 -30.3 38.1 6.3 17.0 226 218 A G T <5 + 0 0 53 -4,-2.0 -3,-0.2 1,-0.2 -2,-0.1 0.555 56.4 165.0 117.2 12.6 38.9 9.1 14.5 227 219 A D >< - 0 0 69 -5,-2.9 4,-2.0 1,-0.1 -1,-0.2 -0.404 33.9-140.6 -59.5 132.7 35.9 9.3 12.2 228 220 A E H > S+ 0 0 168 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.883 97.9 48.7 -66.1 -42.0 36.0 12.6 10.4 229 221 A K H > S+ 0 0 103 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.873 112.2 49.7 -66.6 -37.8 32.2 13.4 10.5 230 222 A A H > S+ 0 0 0 2,-0.2 4,-2.7 1,-0.2 -2,-0.2 0.910 111.7 48.6 -66.4 -42.3 32.1 12.6 14.2 231 223 A A H X S+ 0 0 40 -4,-2.0 4,-2.4 2,-0.2 -2,-0.2 0.893 111.0 50.1 -64.8 -40.7 35.1 14.9 14.8 232 224 A E H X S+ 0 0 109 -4,-2.3 4,-2.3 2,-0.2 -1,-0.2 0.900 113.2 47.0 -63.8 -41.5 33.6 17.7 12.8 233 225 A H H X S+ 0 0 0 -4,-2.1 4,-3.4 2,-0.2 5,-0.2 0.919 111.2 49.9 -65.4 -46.3 30.3 17.3 14.7 234 226 A V H X S+ 0 0 11 -4,-2.7 4,-2.9 2,-0.2 5,-0.2 0.911 112.2 48.5 -61.1 -41.4 32.1 17.2 18.1 235 227 A E H X S+ 0 0 96 -4,-2.4 4,-2.0 2,-0.2 5,-0.2 0.933 113.3 47.9 -62.1 -46.4 34.0 20.4 17.2 236 228 A R H X S+ 0 0 41 -4,-2.3 4,-1.9 1,-0.2 -2,-0.2 0.938 115.8 44.0 -59.0 -49.2 30.8 22.1 16.0 237 229 A F H X S+ 0 0 1 -4,-3.4 4,-2.7 2,-0.2 -2,-0.2 0.872 110.2 53.8 -65.9 -42.9 28.9 21.1 19.2 238 230 A M H X S+ 0 0 1 -4,-2.9 4,-2.2 -5,-0.2 -1,-0.2 0.917 111.6 44.4 -59.7 -46.4 31.7 22.0 21.7 239 231 A E H X S+ 0 0 28 -4,-2.0 4,-2.5 2,-0.2 -1,-0.2 0.883 112.6 53.6 -66.8 -37.3 32.0 25.5 20.3 240 232 A L H X S+ 0 0 0 -4,-1.9 4,-2.4 -5,-0.2 -2,-0.2 0.954 110.2 46.1 -59.1 -51.4 28.2 25.8 20.3 241 233 A L H X S+ 0 0 0 -4,-2.7 4,-2.9 1,-0.2 -2,-0.2 0.910 112.1 51.9 -58.4 -43.6 28.0 24.8 24.0 242 234 A A H X S+ 0 0 0 -4,-2.2 4,-2.7 2,-0.2 -1,-0.2 0.882 109.4 49.8 -60.3 -42.5 30.9 27.2 24.8 243 235 A I H X S+ 0 0 2 -4,-2.5 4,-1.8 2,-0.2 -2,-0.2 0.930 112.5 46.4 -61.5 -47.2 29.1 30.1 23.1 244 236 A C H X S+ 0 0 0 -4,-2.4 4,-2.5 1,-0.2 -2,-0.2 0.915 113.4 49.5 -64.0 -42.9 25.8 29.4 24.9 245 237 A F H X S+ 0 0 0 -4,-2.9 4,-3.1 1,-0.2 5,-0.3 0.920 107.4 55.2 -60.2 -43.4 27.7 29.1 28.2 246 238 A G H X S+ 0 0 0 -4,-2.7 4,-1.1 1,-0.2 -1,-0.2 0.881 110.5 45.0 -56.9 -42.8 29.5 32.4 27.6 247 239 A N H X S+ 0 0 63 -4,-1.8 4,-1.3 2,-0.2 3,-0.4 0.945 114.2 48.8 -65.4 -49.3 26.2 34.2 27.1 248 240 A I H X S+ 0 0 8 -4,-2.5 4,-2.7 1,-0.2 5,-0.3 0.897 111.5 49.5 -59.2 -43.8 24.7 32.6 30.2 249 241 A F H X S+ 0 0 4 -4,-3.1 4,-1.7 1,-0.2 -1,-0.2 0.755 103.0 60.3 -70.1 -25.3 27.7 33.3 32.4 250 242 A T H < S+ 0 0 71 -4,-1.1 -1,-0.2 -3,-0.4 -2,-0.2 0.881 116.6 32.7 -68.9 -37.8 27.8 37.0 31.4 251 243 A A H < S+ 0 0 85 -4,-1.3 -2,-0.2 -3,-0.3 -1,-0.1 0.894 135.6 24.6 -82.8 -41.7 24.2 37.4 32.8 252 244 A N H < S- 0 0 55 -4,-2.7 -3,-0.2 -5,-0.2 -2,-0.2 0.584 77.2-164.8-103.8 -17.7 24.3 34.9 35.7 253 245 A D < - 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0 0 13 -3,-2.7 3,-2.0 1,-0.2 4,-0.3 -0.696 61.5-164.6 -86.5 91.7 31.1 13.0 27.8 267 259 A E T >> S+ 0 0 101 -2,-1.3 3,-1.0 1,-0.3 4,-1.0 0.698 76.7 72.9 -51.7 -32.8 34.5 13.9 29.5 268 260 A L H 3> S+ 0 0 50 1,-0.2 4,-3.2 2,-0.2 -1,-0.3 0.816 85.6 69.3 -55.7 -29.7 35.8 16.1 26.6 269 261 A I H <> S+ 0 0 0 -3,-2.0 4,-2.6 1,-0.2 -1,-0.2 0.920 98.1 49.2 -53.0 -44.8 33.2 18.7 27.7 270 262 A Y H <4 S+ 0 0 35 -3,-1.0 -1,-0.2 -4,-0.3 -2,-0.2 0.813 115.3 43.5 -69.1 -30.4 35.2 19.3 30.9 271 263 A E H < S+ 0 0 111 -4,-1.0 4,-0.5 -3,-0.2 -1,-0.2 0.872 118.2 45.0 -77.6 -41.4 38.5 19.6 29.0 272 264 A E H >X S+ 0 0 30 -4,-3.2 4,-1.6 1,-0.2 3,-0.7 0.852 98.9 64.2 -76.6 -37.9 37.0 21.8 26.2 273 265 A M H 3X S+ 0 0 0 -4,-2.6 4,-3.0 1,-0.2 3,-0.4 0.921 100.4 52.2 -57.4 -47.1 34.9 24.4 28.1 274 266 A P H 34 S+ 0 0 67 0, 0.0 -1,-0.2 0, 0.0 13,-0.2 0.804 113.5 46.1 -59.4 -27.6 37.8 26.1 29.9 275 267 A K H <4 S+ 0 0 143 -3,-0.7 -2,-0.2 -4,-0.5 4,-0.2 0.755 124.3 30.0 -83.7 -25.3 39.6 26.5 26.5 276 268 A R H >X S+ 0 0 37 -4,-1.6 4,-0.6 -3,-0.4 3,-0.5 0.743 105.7 66.0-107.2 -31.6 36.6 27.8 24.6 277 269 A V G >< S+ 0 0 0 -4,-3.0 3,-1.7 -5,-0.3 4,-0.4 0.899 87.9 67.1 -62.6 -43.4 34.4 29.7 27.0 278 270 A P G >4 S+ 0 0 58 0, 0.0 3,-1.4 0, 0.0 -1,-0.2 0.822 92.6 62.5 -51.1 -35.4 36.7 32.6 27.8 279 271 A K G <4 S+ 0 0 154 -3,-0.5 -2,-0.2 1,-0.3 -3,-0.1 0.874 105.8 46.2 -54.9 -37.9 36.5 33.9 24.2 280 272 A Y G << S+ 0 0 45 -3,-1.7 -1,-0.3 -4,-0.6 2,-0.2 0.399 101.3 84.8 -91.0 4.0 32.7 34.5 24.7 281 273 A L S < S- 0 0 21 -3,-1.4 -34,-0.1 -4,-0.4 -35,-0.1 -0.556 93.2 -85.1 -99.4 163.8 33.1 36.2 28.1 282 274 A L > - 0 0 108 -2,-0.2 3,-1.8 -36,-0.2 -1,-0.1 -0.342 47.4-109.2 -59.2 149.5 33.8 39.8 29.0 283 275 A S T 3 S+ 0 0 135 1,-0.3 -1,-0.1 -3,-0.1 -2,-0.1 0.825 118.7 51.2 -55.4 -32.7 37.5 40.5 29.0 284 276 A V T 3 S+ 0 0 139 2,-0.0 2,-0.3 0, 0.0 -1,-0.3 0.530 98.1 88.7 -83.0 -5.5 37.6 40.9 32.7 285 277 A A < - 0 0 35 -3,-1.8 2,-0.3 -7,-0.1 -4,-0.1 -0.712 58.8-153.4-104.3 147.0 35.8 37.6 33.4 286 278 A K - 0 0 182 -2,-0.3 -4,-0.1 1,-0.0 -2,-0.0 -0.787 32.2 -97.0-111.8 154.6 37.1 34.0 33.8 287 279 A C - 0 0 28 -2,-0.3 3,-0.1 -13,-0.2 -1,-0.0 -0.444 44.8-121.9 -66.9 136.0 35.3 30.7 33.1 288 280 A P - 0 0 22 0, 0.0 2,-0.4 0, 0.0 -32,-0.2 -0.230 37.5 -80.3 -73.4 174.3 33.8 29.2 36.2 289 281 A K E -i 256 0C 106 -34,-1.2 -32,-2.8 -35,-0.1 2,-0.5 -0.626 49.7-165.8 -72.4 126.2 34.6 25.8 37.6 290 282 A I E +i 257 0C 20 -2,-0.4 2,-0.3 -34,-0.2 -32,-0.2 -0.976 15.2 169.6-121.1 116.5 32.6 23.3 35.5 291 283 A I E -i 258 0C 34 -34,-2.9 -32,-2.8 -2,-0.5 2,-0.3 -0.829 38.5-100.6-128.0 161.8 32.3 19.8 36.9 292 284 A K E -i 259 0C 76 -2,-0.3 -32,-0.2 -34,-0.2 -27,-0.1 -0.636 52.5-100.1 -77.7 137.3 30.5 16.5 36.5 293 285 A A - 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0 0 22 -3,-1.6 2,-0.5 -159,-0.1 -3,-0.0 -0.519 69.2-115.6 -63.3 124.9 18.2 23.2 55.8 310 302 A K 0 0 166 -2,-0.3 -1,-0.1 1,-0.1 -2,-0.1 -0.560 360.0 360.0 -68.0 117.5 17.8 26.3 58.0 311 303 A G 0 0 119 -2,-0.5 -1,-0.1 -161,-0.0 -161,-0.1 0.239 360.0 360.0 -84.5 360.0 19.7 29.1 56.2