==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=1-FEB-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 01-OCT-12 4BC2 . COMPND 2 MOLECULE: XYLULOSE KINASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR R.D.BUNKER,K.M.LOOMES,E.N.BAKER . 1582 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 56465.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1085 68.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 81 5.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 225 14.2 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 9 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 6 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 8 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 2 0.1 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 . 75 4.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 147 9.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 474 30.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 24 1.5 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 8 7 3 6 6 3 6 9 0 0 1 2 0 3 0 0 0 0 3 3 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 3 6 3 0 3 0 3 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 . 6 9 9 6 6 0 9 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 . 3 9 0 0 0 6 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 5 A A 0 0 146 0, 0.0 2,-0.2 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 121.1 12.8 21.0 -33.0 2 6 A P - 0 0 93 0, 0.0 2,-1.1 0, 0.0 0, 0.0 -0.509 360.0-114.7 -68.9 136.5 10.4 23.5 -31.4 3 7 A R - 0 0 140 -2,-0.2 2,-0.2 19,-0.1 81,-0.1 -0.629 35.9-174.3 -80.6 102.3 9.7 22.4 -27.8 4 8 A R + 0 0 109 -2,-1.1 19,-1.1 81,-0.1 2,-0.3 -0.557 13.3 176.0 -85.5 153.5 6.0 21.4 -27.4 5 9 A C E -Ab 22 85A 1 79,-2.4 81,-2.8 17,-0.2 82,-0.7 -0.968 29.8-133.8-152.7 168.2 4.7 20.6 -23.9 6 10 A C E -Ab 21 87A 0 15,-2.3 15,-2.7 -2,-0.3 2,-0.4 -0.943 24.9-132.0-120.5 145.7 1.9 19.6 -21.6 7 11 A L E -Ab 20 88A 0 80,-1.7 82,-1.8 -2,-0.3 2,-0.5 -0.818 12.7-160.8 -97.4 139.1 1.2 21.2 -18.2 8 12 A G E -Ab 19 89A 0 11,-2.6 11,-1.8 -2,-0.4 82,-0.2 -0.977 14.0-164.8-122.1 111.0 0.6 19.0 -15.2 9 13 A W E -Ab 18 90A 0 80,-2.1 82,-2.0 -2,-0.5 2,-0.3 -0.617 11.7-164.7 -96.4 154.0 -1.1 20.8 -12.3 10 14 A D E -Ab 17 91A 14 7,-2.5 7,-2.2 -2,-0.2 2,-1.2 -0.898 6.6-165.7-141.2 108.7 -1.6 19.8 -8.6 11 15 A F E +Ab 16 92A 2 80,-3.0 82,-2.7 -2,-0.3 5,-0.2 -0.800 34.3 174.3 -92.7 88.2 -4.1 21.7 -6.4 12 16 A S - 0 0 27 3,-2.3 -2,-0.0 -2,-1.2 80,-0.0 -0.349 45.7-101.1 -95.4 172.8 -2.7 20.3 -3.2 13 17 A T S S+ 0 0 14 1,-0.2 3,-0.1 -2,-0.1 -1,-0.0 0.901 119.8 25.5 -60.2 -44.0 -3.5 21.0 0.5 14 18 A Q S S+ 0 0 123 1,-0.2 21,-2.1 21,-0.1 22,-0.3 0.515 129.0 2.8-101.7 -12.1 -0.5 23.3 1.1 15 19 A Q E - C 0 34A 43 19,-0.2 -3,-2.3 20,-0.1 2,-0.5 -0.994 58.8-113.9-165.1 164.9 0.2 24.6 -2.4 16 20 A V E -AC 11 33A 0 17,-2.2 17,-2.3 -2,-0.3 2,-0.3 -0.964 42.5-176.4-104.8 125.9 -0.6 24.9 -6.1 17 21 A K E -AC 10 32A 28 -7,-2.2 -7,-2.5 -2,-0.5 2,-0.3 -0.929 9.7-172.8-122.9 153.7 2.1 23.2 -8.2 18 22 A V E -AC 9 31A 1 13,-2.4 13,-2.1 -2,-0.3 2,-0.3 -0.993 5.3-168.4-144.0 145.7 2.8 22.9 -11.9 19 23 A V E -AC 8 30A 1 -11,-1.8 -11,-2.6 -2,-0.3 2,-0.5 -0.966 14.7-144.4-128.3 146.6 5.2 21.0 -14.1 20 24 A A E -AC 7 29A 0 9,-2.0 8,-2.1 -2,-0.3 9,-1.0 -0.971 18.7-166.9-108.6 123.5 5.9 21.5 -17.9 21 25 A V E -AC 6 27A 0 -15,-2.7 -15,-2.3 -2,-0.5 6,-0.2 -0.974 11.7-138.9-115.1 129.8 6.7 18.1 -19.6 22 26 A D E > -A 5 0A 22 4,-2.6 3,-2.4 -2,-0.4 -17,-0.2 -0.210 33.2 -93.4 -83.4 176.6 8.1 18.1 -23.1 23 27 A A T 3 S+ 0 0 57 -19,-1.1 -18,-0.1 1,-0.3 -1,-0.1 0.682 127.0 59.1 -70.8 -8.5 7.2 15.7 -26.0 24 28 A E T 3 S- 0 0 139 2,-0.2 -1,-0.3 468,-0.0 -19,-0.1 0.438 120.7-112.6 -92.8 2.4 10.1 13.5 -25.0 25 29 A L S < S+ 0 0 6 -3,-2.4 2,-0.4 1,-0.3 -2,-0.2 0.790 71.9 137.4 69.1 38.5 8.4 13.2 -21.6 26 30 A N - 0 0 72 466,-0.1 -4,-2.6 -4,-0.1 2,-0.4 -0.926 55.4-125.5-110.9 136.3 11.1 15.1 -19.7 27 31 A V E +C 21 0A 67 -2,-0.4 -6,-0.2 -6,-0.2 3,-0.1 -0.664 36.5 163.7 -76.4 127.3 10.2 17.7 -17.0 28 32 A F E + 0 0 64 -8,-2.1 2,-0.3 -2,-0.4 -7,-0.1 0.329 60.7 36.3-124.4 -1.4 11.9 21.0 -17.9 29 33 A Y E +C 20 0A 41 -9,-1.0 -9,-2.0 2,-0.0 2,-0.3 -0.973 54.1 174.8-156.3 139.7 10.0 23.5 -15.7 30 34 A E E +C 19 0A 56 -2,-0.3 2,-0.3 -11,-0.2 -11,-0.2 -0.990 7.1 167.0-144.0 143.8 8.4 23.5 -12.2 31 35 A E E -C 18 0A 46 -13,-2.1 -13,-2.4 -2,-0.3 2,-0.3 -0.981 6.8-175.2-155.5 156.0 6.7 26.2 -10.2 32 36 A S E -C 17 0A 25 -2,-0.3 2,-0.4 -15,-0.2 -15,-0.2 -0.987 21.8-145.5-153.0 159.5 4.6 26.5 -7.1 33 37 A V E -C 16 0A 0 -17,-2.3 -17,-2.2 -2,-0.3 2,-0.5 -0.998 21.2-149.6-128.4 118.6 2.6 28.9 -4.8 34 38 A H E > -C 15 0A 60 -2,-0.4 4,-3.1 -19,-0.2 5,-0.4 -0.842 8.6-145.9 -93.9 122.2 2.7 28.0 -1.1 35 39 A F H > S+ 0 0 0 -21,-2.1 4,-2.3 -2,-0.5 7,-0.2 0.918 92.3 40.4 -62.5 -52.0 -0.6 29.1 0.6 36 40 A D H 4 S+ 0 0 63 -22,-0.3 -1,-0.2 1,-0.2 7,-0.1 0.940 124.8 40.3 -63.2 -43.2 0.6 30.1 4.1 37 41 A R H 4 S+ 0 0 145 1,-0.2 -2,-0.2 2,-0.1 -1,-0.2 0.872 127.0 29.8 -71.9 -44.9 3.7 31.8 2.7 38 42 A D H < S+ 0 0 49 -4,-3.1 -3,-0.2 1,-0.2 -2,-0.2 0.692 131.3 32.0 -97.0 -20.8 2.3 33.5 -0.4 39 43 A L >< + 0 0 0 -4,-2.3 3,-1.4 -5,-0.4 5,-0.4 -0.485 69.0 152.8-128.9 57.5 -1.4 34.2 0.7 40 44 A P G > + 0 0 46 0, 0.0 3,-2.2 0, 0.0 -1,-0.1 0.743 57.5 79.7 -62.9 -22.1 -0.9 34.8 4.4 41 45 A E G 3 S+ 0 0 55 1,-0.3 1457,-0.2 2,-0.1 -5,-0.1 0.734 84.0 63.7 -56.9 -25.2 -4.0 37.1 4.7 42 46 A F G < S- 0 0 46 -3,-1.4 -1,-0.3 -7,-0.2 -6,-0.1 0.645 101.4-135.6 -75.6 -14.9 -6.2 33.9 4.8 43 47 A G < + 0 0 53 -3,-2.2 -2,-0.1 -4,-0.2 -7,-0.1 0.745 45.0 158.7 68.8 26.9 -4.6 32.9 8.1 44 48 A T - 0 0 14 -5,-0.4 2,-0.4 -9,-0.1 5,-0.2 -0.349 32.5-154.1 -78.7 162.1 -4.2 29.2 7.2 45 49 A Q B > S-G 48 0B 73 3,-2.6 3,-1.3 -2,-0.1 5,-0.0 -0.978 89.4 -1.3-135.4 116.0 -1.7 26.9 8.8 46 50 A G T 3 S- 0 0 26 -2,-0.4 3,-0.1 1,-0.3 -1,-0.1 0.802 131.6 -64.7 69.1 25.0 -0.6 24.0 6.5 47 51 A G T 3 S+ 0 0 0 1,-0.2 2,-0.3 -33,-0.2 -1,-0.3 0.429 120.1 84.5 78.6 0.6 -3.0 25.6 3.9 48 52 A V B < S-G 45 0B 5 -3,-1.3 -3,-2.6 11,-0.1 2,-0.5 -0.810 72.4-127.4-128.4 168.5 -6.1 24.8 6.1 49 53 A H E -H 58 0C 51 9,-2.9 9,-2.0 -2,-0.3 2,-0.6 -0.988 19.2-154.9-113.3 115.0 -8.1 26.2 9.0 50 54 A V E -H 57 0C 90 -2,-0.5 7,-0.2 7,-0.2 85,-0.0 -0.856 25.9-134.3 -88.1 121.6 -8.6 23.7 11.9 51 55 A H > - 0 0 71 5,-3.0 3,-2.3 -2,-0.6 5,-0.0 -0.237 23.5 -95.3 -78.2 167.3 -11.8 24.8 13.5 52 56 A K T 3 S+ 0 0 115 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.822 121.5 61.7 -50.2 -39.0 -12.5 25.2 17.3 53 57 A D T 3 S- 0 0 91 1,-0.1 -1,-0.3 3,-0.0 -2,-0.0 0.547 103.0-129.9 -65.3 -14.8 -14.0 21.6 17.5 54 58 A G S < S+ 0 0 48 -3,-2.3 -2,-0.1 2,-0.2 -1,-0.1 0.503 94.8 69.3 75.0 5.4 -10.7 20.0 16.4 55 59 A L S S+ 0 0 81 1,-0.1 81,-2.7 82,-0.1 2,-0.5 0.656 73.0 82.9-121.1 -38.2 -12.6 18.0 13.7 56 60 A T + 0 0 13 79,-0.2 -5,-3.0 80,-0.2 2,-0.4 -0.691 55.3 179.1 -78.6 119.9 -13.7 20.5 11.0 57 61 A V E +H 50 0C 7 -2,-0.5 75,-1.7 -7,-0.2 78,-0.3 -0.994 9.7 161.1-127.1 120.3 -10.9 21.3 8.6 58 62 A T E -HI 49 131C 8 -9,-2.0 -9,-2.9 -2,-0.4 71,-0.1 -0.868 27.7-149.2-133.5 170.9 -11.4 23.7 5.7 59 63 A S E - I 0 130C 0 71,-1.8 71,-2.8 -2,-0.3 2,-0.3 -0.996 33.8-107.7-137.0 141.4 -9.7 25.9 3.1 60 64 A P E >> - I 0 129C 10 0, 0.0 4,-1.1 0, 0.0 3,-1.0 -0.541 22.0-147.2 -72.4 124.0 -11.0 29.1 1.6 61 65 A V H 3> S+ 0 0 1 67,-2.3 4,-2.0 -2,-0.3 3,-0.3 0.859 98.0 57.9 -57.1 -39.2 -12.0 28.5 -2.1 62 66 A L H 3> S+ 0 0 37 66,-0.3 4,-2.1 1,-0.2 -1,-0.2 0.704 98.4 60.6 -70.2 -16.2 -10.9 32.0 -3.1 63 67 A X H <> S+ 0 0 0 -3,-1.0 4,-2.4 2,-0.2 -1,-0.2 0.899 105.9 46.8 -70.4 -43.3 -7.4 31.3 -1.8 64 68 A W H X S+ 0 0 1 -4,-1.1 4,-1.5 -3,-0.3 -2,-0.2 0.927 113.4 49.2 -63.0 -41.6 -7.1 28.4 -4.4 65 69 A V H X S+ 0 0 0 -4,-2.0 4,-1.4 1,-0.2 53,-0.3 0.922 113.9 44.9 -63.4 -46.1 -8.5 30.8 -7.1 66 70 A Q H X S+ 0 0 15 -4,-2.1 4,-2.2 1,-0.2 -1,-0.2 0.854 107.1 58.7 -67.8 -36.4 -6.1 33.5 -6.2 67 71 A A H X S+ 0 0 0 -4,-2.4 4,-2.6 1,-0.2 -1,-0.2 0.846 103.1 53.9 -59.6 -35.8 -3.1 31.1 -6.0 68 72 A L H X S+ 0 0 0 -4,-1.5 4,-2.4 -3,-0.2 -1,-0.2 0.907 108.6 49.5 -66.0 -38.3 -3.8 30.1 -9.7 69 73 A D H X S+ 0 0 1 -4,-1.4 4,-1.9 1,-0.2 -2,-0.2 0.890 112.7 47.2 -62.3 -44.7 -3.6 33.9 -10.6 70 74 A I H X S+ 0 0 53 -4,-2.2 4,-2.3 2,-0.2 -2,-0.2 0.935 113.2 46.7 -64.7 -49.3 -0.3 34.2 -8.7 71 75 A I H X S+ 0 0 0 -4,-2.6 4,-2.4 2,-0.2 -2,-0.2 0.930 112.5 49.3 -64.8 -43.9 1.3 31.0 -10.2 72 76 A L H X S+ 0 0 0 -4,-2.4 4,-2.2 1,-0.2 -1,-0.2 0.897 115.1 45.0 -60.3 -39.4 0.3 32.0 -13.8 73 77 A E H X S+ 0 0 49 -4,-1.9 4,-2.4 2,-0.2 -1,-0.2 0.844 111.1 52.8 -73.4 -32.7 1.7 35.5 -13.4 74 78 A K H X S+ 0 0 69 -4,-2.3 4,-1.3 2,-0.2 -2,-0.2 0.868 111.0 48.4 -66.0 -38.9 4.9 34.0 -11.7 75 79 A X H <>S+ 0 0 0 -4,-2.4 5,-2.4 2,-0.2 4,-0.4 0.932 111.9 48.3 -64.9 -48.2 5.3 31.7 -14.8 76 80 A K H ><5S+ 0 0 33 -4,-2.2 3,-1.5 1,-0.2 -2,-0.2 0.922 110.3 51.8 -58.3 -45.7 4.8 34.7 -17.2 77 81 A A H 3<5S+ 0 0 23 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.798 105.8 55.1 -63.2 -31.8 7.3 36.8 -15.3 78 82 A S T 3<5S- 0 0 53 -4,-1.3 -1,-0.3 -3,-0.2 -2,-0.2 0.537 123.0-106.7 -78.5 -6.4 9.9 34.0 -15.5 79 83 A G T < 5 + 0 0 48 -3,-1.5 -3,-0.2 -4,-0.4 -2,-0.1 0.685 53.9 175.5 88.4 23.2 9.5 34.0 -19.3 80 84 A F < - 0 0 24 -5,-2.4 2,-1.1 -6,-0.1 -1,-0.2 -0.393 30.4-130.8 -64.1 132.7 7.5 30.7 -19.6 81 85 A D > + 0 0 86 1,-0.2 3,-1.1 -2,-0.1 4,-0.1 -0.737 28.8 176.2 -91.5 94.2 6.4 30.1 -23.2 82 86 A F G > S+ 0 0 6 -2,-1.1 3,-1.9 180,-0.4 -1,-0.2 0.748 71.0 76.3 -68.3 -23.2 2.6 29.4 -23.0 83 87 A S G 3 S+ 0 0 54 1,-0.3 -1,-0.2 181,-0.2 181,-0.1 0.726 90.4 58.6 -62.6 -20.5 2.4 29.2 -26.9 84 88 A Q G < S+ 0 0 34 -3,-1.1 -79,-2.4 -80,-0.1 2,-0.8 0.522 76.9 110.7 -84.0 -7.9 4.1 25.7 -26.7 85 89 A V E < +b 5 0A 0 -3,-1.9 -79,-0.2 -81,-0.2 3,-0.1 -0.578 36.9 174.1 -78.3 109.9 1.3 24.2 -24.4 86 90 A L E - 0 0 63 -81,-2.8 183,-1.9 -2,-0.8 2,-0.3 0.810 66.2 -13.3 -82.1 -35.4 -0.6 21.6 -26.4 87 91 A A E -bd 6 269A 0 -82,-0.7 -80,-1.7 181,-0.3 2,-0.3 -0.980 58.7-154.4-159.9 164.3 -2.7 20.3 -23.5 88 92 A L E +bd 7 270A 0 181,-2.6 183,-2.8 -2,-0.3 2,-0.3 -0.991 12.9 166.5-145.7 152.1 -3.0 20.4 -19.8 89 93 A S E -b 8 0A 0 -82,-1.8 -80,-2.1 -2,-0.3 2,-0.3 -0.879 13.8-168.3-146.0 179.6 -4.5 18.3 -17.0 90 94 A G E -b 9 0A 0 181,-0.3 184,-2.1 -2,-0.3 2,-0.3 -0.974 18.7-116.3-165.0 173.6 -4.2 18.2 -13.3 91 95 A A E -be 10 274A 0 -82,-2.0 -80,-3.0 -2,-0.3 2,-0.4 -0.903 18.9-156.5-119.4 148.7 -4.7 16.7 -9.9 92 96 A G E -be 11 275A 0 182,-1.8 184,-1.6 -2,-0.3 185,-0.2 -0.984 34.8-100.3-125.3 137.2 -6.8 17.8 -7.0 93 97 A Q - 0 0 1 -82,-2.7 99,-0.4 -2,-0.4 100,-0.3 -0.346 62.3-103.7 -48.1 128.2 -6.3 16.9 -3.3 94 98 A Q S S+ 0 0 5 1,-0.2 2,-1.8 98,-0.1 39,-0.4 -0.163 87.2 10.2 -71.1 161.2 -9.0 14.3 -3.0 95 99 A H S S+ 0 0 7 116,-0.2 -1,-0.2 1,-0.1 76,-0.1 -0.117 85.0 128.6 73.3 -37.4 -12.5 14.5 -1.5 96 100 A G - 0 0 1 -2,-1.8 96,-1.3 -3,-0.3 2,-0.3 -0.122 45.5-149.1 -50.9 142.8 -12.5 18.3 -1.0 97 101 A S E -J 191 0D 0 34,-1.5 2,-0.4 94,-0.2 94,-0.2 -0.925 15.4-155.1-128.6 150.6 -15.6 20.1 -2.4 98 102 A I E -J 190 0D 0 92,-2.4 92,-2.5 -2,-0.3 2,-0.6 -0.971 9.3-153.2-123.0 135.7 -16.6 23.4 -3.9 99 103 A Y E -J 189 0D 0 -2,-0.4 27,-1.3 28,-0.4 28,-0.9 -0.946 12.5-153.5-116.4 105.0 -20.1 24.8 -3.8 100 104 A W E -JK 188 125D 0 88,-3.1 87,-2.3 -2,-0.6 88,-1.2 -0.769 16.6-126.2 -86.2 127.4 -20.9 27.1 -6.7 101 105 A K E > -J 186 0D 78 23,-2.4 3,-2.0 -2,-0.5 85,-0.2 -0.246 39.5 -82.4 -67.7 152.4 -23.5 29.8 -6.1 102 106 A A T 3 S+ 0 0 64 83,-2.0 -1,-0.1 1,-0.3 83,-0.0 -0.351 120.0 23.5 -56.8 131.5 -26.5 30.1 -8.5 103 107 A G T 3> S+ 0 0 33 -3,-0.1 4,-0.8 3,-0.0 3,-0.4 0.449 85.5 119.2 87.3 4.6 -25.4 32.2 -11.5 104 108 A A H <> + 0 0 2 -3,-2.0 4,-1.8 1,-0.2 -2,-0.1 0.778 65.0 63.8 -72.2 -28.1 -21.7 31.4 -11.1 105 109 A Q H > S+ 0 0 75 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.821 96.6 58.2 -67.7 -28.2 -21.4 29.8 -14.6 106 110 A Q H > S+ 0 0 145 -3,-0.4 4,-1.1 2,-0.2 -1,-0.2 0.926 107.0 48.2 -63.4 -41.2 -22.3 33.1 -16.2 107 111 A A H < S+ 0 0 26 -4,-0.8 3,-0.2 1,-0.2 -2,-0.2 0.890 112.7 48.9 -65.4 -38.6 -19.2 34.6 -14.4 108 112 A L H >< S+ 0 0 0 -4,-1.8 3,-0.8 1,-0.2 -2,-0.2 0.886 114.0 44.7 -64.6 -45.1 -17.0 31.6 -15.6 109 113 A T H 3< S+ 0 0 90 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.609 113.3 51.2 -78.8 -12.6 -18.1 31.9 -19.2 110 114 A S T 3< S+ 0 0 85 -4,-1.1 -1,-0.2 -3,-0.2 2,-0.2 -0.046 75.1 151.1-114.4 31.2 -17.8 35.7 -19.4 111 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2.8 -4.4 20.0 386 390 A H E -T 371 0H 26 -15,-2.5 -15,-2.1 -2,-0.5 2,-0.4 -0.983 2.5-176.6-129.3 114.4 2.1 -8.2 19.6 387 391 A R E -TU 370 395H 28 8,-0.6 8,-2.6 -2,-0.4 2,-0.3 -0.934 2.6-174.4-116.1 137.9 5.1 -10.5 19.4 388 392 A F E -TU 369 394H 0 -19,-2.7 -19,-2.3 -2,-0.4 6,-0.2 -0.989 15.2-139.0-131.0 139.5 5.0 -14.3 18.8 389 393 A N > - 0 0 39 4,-2.5 3,-2.1 -2,-0.3 -20,-0.1 -0.207 45.2 -81.8 -86.3-177.2 7.8 -16.9 18.8 390 394 A T T 3 S+ 0 0 88 1,-0.3 -22,-0.1 -24,-0.2 -23,-0.1 0.766 131.2 56.0 -60.3 -23.2 8.3 -19.8 16.4 391 395 A E T 3 S- 0 0 132 2,-0.1 -1,-0.3 1,-0.0 3,-0.1 0.248 120.0-110.1 -89.5 11.7 5.8 -21.9 18.5 392 396 A N S < S+ 0 0 44 -3,-2.1 2,-0.4 -25,-0.3 -2,-0.1 0.676 71.3 146.6 61.9 27.5 3.1 -19.2 18.0 393 397 A H - 0 0 103 1,-0.1 -4,-2.5 0, 0.0 -1,-0.2 -0.731 55.2-112.6 -90.3 139.7 3.5 -18.3 21.8 394 398 A K E -U 388 0H 98 -2,-0.4 2,-0.3 -6,-0.2 -6,-0.3 -0.461 39.1-167.5 -72.6 132.6 3.0 -14.7 22.7 395 399 A V E -U 387 0H 43 -8,-2.6 -8,-0.6 -2,-0.2 3,-0.1 -0.925 27.9-136.4-125.2 154.2 6.3 -13.1 24.0 396 400 A A S S- 0 0 97 -2,-0.3 2,-0.3 1,-0.2 -1,-0.1 0.734 82.3 -6.9 -78.4 -28.7 7.1 -9.9 25.8 397 401 A A - 0 0 66 -10,-0.0 -1,-0.2 0, 0.0 3,-0.0 -0.985 55.1-140.1-162.2 164.9 10.2 -9.1 23.7 398 402 A F - 0 0 24 -2,-0.3 5,-0.1 -3,-0.1 -9,-0.0 -0.923 41.7 -86.9-122.8 161.0 12.7 -10.1 21.0 399 403 A P > - 0 0 91 0, 0.0 4,-2.4 0, 0.0 3,-0.2 -0.269 52.5-103.0 -58.4 150.5 16.4 -9.7 20.6 400 404 A G H > S+ 0 0 26 1,-0.2 4,-1.7 2,-0.2 -54,-0.1 0.852 119.8 44.4 -46.8 -49.5 17.2 -6.4 18.9 401 405 A D H > S+ 0 0 70 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.885 113.4 51.4 -66.7 -38.2 18.0 -7.8 15.4 402 406 A V H > S+ 0 0 23 -3,-0.2 4,-2.9 1,-0.2 -2,-0.2 0.885 107.6 54.6 -64.2 -40.8 14.9 -10.1 15.5 403 407 A E H X S+ 0 0 10 -4,-2.4 4,-2.3 2,-0.2 -1,-0.2 0.905 106.5 50.6 -58.1 -47.7 12.8 -7.0 16.4 404 408 A V H X S+ 0 0 0 -4,-1.7 4,-2.2 1,-0.2 -2,-0.2 0.926 115.6 41.5 -59.5 -48.1 14.0 -5.0 13.3 405 409 A R H X S+ 0 0 15 -4,-2.0 4,-3.1 2,-0.2 5,-0.5 0.894 111.1 56.3 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416 420 A R H X S+ 0 0 48 -4,-2.2 4,-2.6 2,-0.2 -2,-0.2 0.924 114.8 46.8 -65.1 -48.6 0.6 -8.3 0.8 417 421 A I H X S+ 0 0 30 -4,-2.7 4,-1.6 2,-0.2 -2,-0.2 0.907 116.3 44.1 -59.6 -46.9 -2.2 -9.9 2.9 418 422 A H H X S+ 0 0 9 -4,-3.0 4,-0.8 2,-0.2 -2,-0.2 0.882 113.4 50.7 -71.1 -35.5 -4.4 -6.7 2.9 419 423 A A H ><>S+ 0 0 0 -4,-2.4 5,-1.9 -5,-0.3 3,-1.2 0.929 110.1 50.7 -62.1 -48.7 -3.8 -6.1 -0.9 420 424 A E H ><5S+ 0 0 51 -4,-2.6 3,-1.5 1,-0.3 -2,-0.2 0.850 101.5 62.4 -58.1 -33.7 -4.8 -9.7 -1.6 421 425 A G H 3<5S+ 0 0 52 -4,-1.6 -1,-0.3 1,-0.3 -2,-0.2 0.775 102.5 51.0 -61.7 -28.2 -8.0 -9.2 0.5 422 426 A L T <<5S- 0 0 1 -3,-1.2 -113,-1.6 -4,-0.8 -1,-0.3 0.411 132.7 -89.7 -89.6 3.0 -9.0 -6.5 -2.1 423 427 A G T < 5S+ 0 0 24 -3,-1.5 2,-0.3 1,-0.3 -116,-0.2 0.468 78.4 145.6 102.7 5.3 -8.4 -8.9 -5.1 424 428 A Y < - 0 0 3 -5,-1.9 2,-0.4 -6,-0.1 -1,-0.3 -0.600 22.7-177.5 -78.0 138.8 -4.7 -8.1 -5.8 425 429 A R - 0 0 145 -2,-0.3 2,-0.2 -6,-0.0 5,-0.0 -0.996 29.8-117.6-135.1 137.8 -2.6 -11.0 -7.0 426 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