==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=22-MAY-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 07-JUL-10 2XKD . COMPND 2 MOLECULE: SERINE/THREONINE-PROTEIN KINASE NEK2; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR C.MAS-DROUX,R.BAYLISS . 251 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14095.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 171 68.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 2 0.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 40 15.9 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 3 1.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 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 . 17 6.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 25 10.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 81 32.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 2.0 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 2 0 0 0 0 2 1 0 0 0 0 1 1 0 0 0 1 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 PARALLEL BRIDGES PER LADDER . 0 1 1 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 ANTIPARALLEL BRIDGES PER LADDER . 0 0 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 3 A S 0 0 72 0, 0.0 70,-0.3 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 176.8 30.2 9.7 8.7 2 4 A R > - 0 0 124 68,-0.1 3,-2.3 1,-0.1 4,-0.2 -0.756 360.0-106.7-112.3 161.5 33.5 8.0 7.9 3 5 A A G > S+ 0 0 17 1,-0.3 3,-2.0 -2,-0.3 -1,-0.1 0.789 114.2 66.4 -53.9 -33.1 35.4 5.1 9.6 4 6 A E G 3 S+ 0 0 124 1,-0.3 -1,-0.3 3,-0.1 20,-0.1 0.688 86.0 71.9 -65.1 -17.9 38.0 7.5 11.2 5 7 A D G < S+ 0 0 69 -3,-2.3 19,-2.2 18,-0.1 20,-0.5 0.610 101.3 52.7 -70.3 -10.2 35.2 9.0 13.3 6 8 A Y E < S-A 23 0A 16 -3,-2.0 2,-0.5 17,-0.2 17,-0.2 -0.916 71.2-143.3-129.5 151.5 35.2 5.8 15.3 7 9 A E E -A 22 0A 101 15,-2.5 15,-2.0 -2,-0.3 2,-0.3 -0.961 21.8-130.2-115.9 122.9 37.8 3.6 17.1 8 10 A V E -A 21 0A 59 -2,-0.5 13,-0.2 13,-0.2 3,-0.1 -0.527 23.3-178.8 -68.1 125.6 37.5 -0.2 17.0 9 11 A L E - 0 0 60 11,-2.6 2,-0.3 1,-0.4 12,-0.2 0.899 59.5 -42.9 -89.9 -55.9 37.8 -1.6 20.5 10 12 A Y E -A 20 0A 120 10,-1.2 10,-2.8 0, 0.0 -1,-0.4 -0.975 59.0 -87.8-169.1 166.5 37.5 -5.3 19.7 11 13 A T E -A 19 0A 61 -2,-0.3 8,-0.3 8,-0.2 3,-0.1 -0.597 27.2-176.4 -83.5 134.5 35.7 -7.9 17.6 12 14 A I E - 0 0 94 6,-3.0 2,-0.3 1,-0.3 7,-0.2 0.884 68.5 -4.3 -93.0 -55.8 32.6 -9.4 19.0 13 15 A G E A 18 0A 34 5,-1.3 5,-3.3 0, 0.0 -1,-0.3 -0.999 360.0 360.0-144.4 144.4 31.7 -12.0 16.4 14 16 A T 0 0 155 -2,-0.3 3,-0.2 3,-0.2 5,-0.0 -0.628 360.0 360.0-114.6 360.0 33.0 -13.1 13.0 15 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 16 20 A G 0 0 88 0, 0.0 2,-0.4 0, 0.0 19,-0.2 0.000 360.0 360.0 360.0-143.3 30.8 -10.4 7.9 17 21 A R E - B 0 34A 88 17,-1.0 17,-2.6 -3,-0.2 2,-0.5 -0.992 360.0-150.3-131.3 134.0 32.3 -9.3 11.2 18 22 A C E -AB 13 33A 42 -5,-3.3 -6,-3.0 -2,-0.4 -5,-1.3 -0.879 18.8-176.8-105.4 131.6 30.8 -7.4 14.1 19 23 A Q E -AB 11 32A 13 13,-2.8 13,-2.4 -2,-0.5 2,-0.4 -0.953 28.4-124.3-129.3 144.2 32.9 -5.1 16.3 20 24 A K E -AB 10 31A 31 -10,-2.8 -11,-2.6 -2,-0.4 -10,-1.2 -0.703 42.4-179.1 -80.4 133.7 32.4 -3.0 19.4 21 25 A I E -AB 8 30A 0 9,-2.4 9,-2.8 -2,-0.4 2,-0.5 -0.894 25.8-135.9-135.1 161.6 33.4 0.6 18.6 22 26 A R E -AB 7 29A 106 -15,-2.0 -15,-2.5 -2,-0.3 2,-0.5 -0.984 17.8-135.2-123.0 124.0 33.7 4.0 20.2 23 27 A R E >>> -AB 6 28A 62 5,-2.8 4,-2.3 -2,-0.5 5,-0.6 -0.660 15.6-150.0 -75.0 118.3 32.5 7.2 18.5 24 28 A K T 345S+ 0 0 130 -19,-2.2 -1,-0.1 -2,-0.5 -18,-0.1 0.824 86.1 67.8 -61.8 -36.8 35.3 9.7 19.1 25 29 A S T 345S- 0 0 103 -20,-0.5 -1,-0.2 1,-0.2 -19,-0.1 0.882 129.8 -1.4 -53.5 -42.5 33.1 12.8 19.2 26 30 A D T <45S- 0 0 94 -3,-0.6 -1,-0.2 2,-0.1 -2,-0.2 0.325 95.8-112.4-133.1 4.6 31.4 11.8 22.4 27 31 A G T <5 + 0 0 31 -4,-2.3 -3,-0.2 1,-0.2 2,-0.2 0.667 55.3 169.1 70.5 17.7 32.9 8.5 23.4 28 32 A K E < -B 23 0A 90 -5,-0.6 -5,-2.8 -6,-0.1 2,-0.5 -0.437 34.0-126.4 -70.2 133.0 29.6 6.7 22.7 29 33 A I E +B 22 0A 56 -7,-0.2 55,-0.6 -2,-0.2 -7,-0.2 -0.680 44.9 151.2 -83.0 123.1 29.8 2.9 22.7 30 34 A L E -BC 21 83A 0 -9,-2.8 -9,-2.4 -2,-0.5 2,-0.3 -0.647 35.1-124.8-134.3-173.0 28.3 1.4 19.5 31 35 A V E -BC 20 82A 13 51,-2.3 51,-2.9 -11,-0.3 2,-0.4 -0.980 16.0-162.1-135.5 148.0 28.7 -1.7 17.3 32 36 A W E -BC 19 81A 8 -13,-2.4 -13,-2.8 -2,-0.3 2,-0.5 -0.987 8.7-150.7-129.5 153.4 29.4 -2.0 13.6 33 37 A K E -BC 18 80A 38 47,-1.8 47,-2.6 -2,-0.4 2,-0.5 -0.963 19.1-143.5-112.1 130.6 28.9 -4.9 11.2 34 38 A E E -BC 17 79A 34 -17,-2.6 -17,-1.0 -2,-0.5 2,-0.5 -0.852 13.5-170.3-103.5 130.9 31.3 -4.9 8.2 35 39 A L E - C 0 78A 35 43,-2.9 43,-3.3 -2,-0.5 2,-0.9 -0.978 15.1-146.1-116.7 124.1 30.2 -6.1 4.8 36 40 A D E + C 0 77A 103 -2,-0.5 3,-0.5 41,-0.2 41,-0.2 -0.803 19.6 176.3 -90.4 106.2 32.8 -6.6 2.1 37 41 A Y > + 0 0 37 39,-1.2 3,-1.7 -2,-0.9 40,-0.1 0.276 47.4 109.9 -92.8 11.3 31.1 -5.7 -1.2 38 42 A G T 3 S+ 0 0 44 38,-0.7 -1,-0.2 1,-0.3 39,-0.1 0.704 81.1 42.4 -62.4 -23.9 34.2 -6.2 -3.3 39 43 A S T 3 S+ 0 0 115 -3,-0.5 -1,-0.3 2,-0.1 2,-0.2 0.321 94.1 110.4-104.3 7.5 32.8 -9.3 -5.0 40 44 A M < - 0 0 57 -3,-1.7 2,-0.1 1,-0.1 -3,-0.0 -0.521 63.0-128.7 -85.8 149.9 29.4 -7.9 -5.6 41 45 A T > - 0 0 72 -2,-0.2 4,-2.4 1,-0.1 3,-0.2 -0.394 33.5-102.2 -82.9 168.4 27.8 -6.9 -8.9 42 46 A E H > S+ 0 0 82 1,-0.2 4,-1.8 2,-0.2 5,-0.1 0.848 125.9 55.0 -58.0 -33.1 26.2 -3.5 -9.5 43 47 A A H > S+ 0 0 74 2,-0.2 4,-1.4 1,-0.2 -1,-0.2 0.852 108.7 46.0 -69.8 -36.1 22.9 -5.3 -9.2 44 48 A E H > S+ 0 0 99 -3,-0.2 4,-2.5 2,-0.2 -2,-0.2 0.844 111.8 51.1 -76.2 -34.8 23.9 -6.7 -5.7 45 49 A K H X S+ 0 0 86 -4,-2.4 4,-2.7 2,-0.2 -2,-0.2 0.854 108.5 52.3 -68.9 -34.6 25.1 -3.4 -4.5 46 50 A Q H X S+ 0 0 124 -4,-1.8 4,-1.7 2,-0.2 -2,-0.2 0.880 111.8 45.9 -68.7 -39.0 21.9 -1.7 -5.6 47 51 A M H X S+ 0 0 110 -4,-1.4 4,-2.0 2,-0.2 -2,-0.2 0.926 112.3 52.2 -64.7 -46.4 19.9 -4.3 -3.6 48 52 A L H X S+ 0 0 29 -4,-2.5 4,-2.6 1,-0.2 5,-0.2 0.932 108.0 50.5 -54.9 -50.7 22.3 -3.8 -0.7 49 53 A V H X S+ 0 0 72 -4,-2.7 4,-2.2 1,-0.2 -1,-0.2 0.900 110.6 48.7 -55.1 -46.8 21.8 -0.0 -0.7 50 54 A S H X S+ 0 0 57 -4,-1.7 4,-2.1 1,-0.2 -1,-0.2 0.857 111.7 49.7 -65.4 -35.8 18.0 -0.3 -0.7 51 55 A E H X S+ 0 0 104 -4,-2.0 4,-2.0 2,-0.2 -2,-0.2 0.897 110.6 48.7 -70.1 -41.7 18.1 -2.8 2.2 52 56 A V H X S+ 0 0 13 -4,-2.6 4,-1.5 2,-0.2 -2,-0.2 0.889 110.5 53.5 -63.5 -38.3 20.4 -0.6 4.3 53 57 A N H X S+ 0 0 73 -4,-2.2 4,-0.6 -5,-0.2 3,-0.2 0.925 109.2 46.2 -62.8 -47.3 18.1 2.3 3.6 54 58 A L H >X S+ 0 0 63 -4,-2.1 3,-1.0 1,-0.2 4,-0.6 0.877 108.6 58.4 -60.8 -38.0 15.0 0.5 4.8 55 59 A L H >< S+ 0 0 20 -4,-2.0 3,-0.9 1,-0.3 11,-0.4 0.861 101.3 55.4 -58.3 -37.4 17.0 -0.6 7.8 56 60 A R H 3< S+ 0 0 38 -4,-1.5 -1,-0.3 -3,-0.2 -2,-0.2 0.689 99.7 61.2 -72.0 -18.6 17.6 3.0 8.7 57 61 A E H << S+ 0 0 68 -3,-1.0 2,-1.0 -4,-0.6 -1,-0.2 0.626 79.0 98.2 -84.6 -15.0 13.9 3.7 8.7 58 62 A L << + 0 0 23 -3,-0.9 2,-0.6 -4,-0.6 8,-0.4 -0.648 44.1 168.1 -81.8 101.3 13.1 1.3 11.6 59 63 A K + 0 0 117 -2,-1.0 5,-0.1 6,-0.1 6,-0.1 -0.930 19.0 132.4-114.9 107.6 12.8 3.2 14.9 60 64 A H > - 0 0 43 -2,-0.6 3,-1.8 3,-0.4 59,-0.0 -0.983 60.3-124.6-153.6 142.4 11.3 1.1 17.6 61 65 A P T 3 S+ 0 0 43 0, 0.0 4,-0.1 0, 0.0 192,-0.1 0.768 113.6 46.7 -61.0 -24.8 12.4 0.4 21.3 62 66 A N T 3 S+ 0 0 1 82,-0.1 83,-2.5 2,-0.1 2,-0.4 0.122 99.1 78.1-108.9 21.1 12.4 -3.3 20.5 63 67 A I B < S-e 145 0B 0 -3,-1.8 -3,-0.4 81,-0.3 83,-0.2 -0.998 93.9-102.6-124.7 130.5 14.3 -3.3 17.3 64 68 A V - 0 0 6 81,-2.7 2,-0.5 -2,-0.4 -2,-0.1 -0.269 44.0-121.8 -49.0 126.7 18.1 -2.9 17.2 65 69 A R - 0 0 66 -4,-0.1 18,-1.9 -6,-0.1 2,-0.7 -0.648 18.9-153.8 -81.8 124.6 18.7 0.7 16.2 66 70 A Y E +D 82 0A 11 -2,-0.5 16,-0.3 -8,-0.4 3,-0.1 -0.869 17.0 176.2-103.2 110.5 20.7 1.2 13.0 67 71 A Y E - 0 0 99 14,-1.8 2,-0.3 -2,-0.7 15,-0.2 0.811 51.3 -11.3 -84.9 -38.6 22.5 4.6 13.2 68 72 A D E -D 81 0A 58 13,-1.4 13,-2.0 2,-0.0 2,-0.4 -0.948 45.4-136.5-159.2 167.8 24.7 5.0 10.2 69 73 A R E -D 80 0A 129 -2,-0.3 2,-0.4 11,-0.2 11,-0.2 -0.981 21.7-162.3-140.4 128.8 26.3 3.4 7.1 70 74 A I E -D 79 0A 1 9,-2.6 9,-2.5 -2,-0.4 2,-0.5 -0.923 6.3-150.6-116.4 137.8 29.9 4.1 6.2 71 75 A I E -D 78 0A 93 -2,-0.4 2,-0.5 -70,-0.3 -68,-0.2 -0.922 11.9-179.1-106.8 126.8 31.7 3.6 2.9 72 76 A D E >>> -D 77 0A 35 5,-2.1 5,-1.5 -2,-0.5 3,-1.1 -0.774 3.5-174.5-121.5 86.3 35.4 2.8 2.8 73 77 A R T 345S+ 0 0 76 -2,-0.5 -1,-0.1 1,-0.3 5,-0.1 0.676 78.7 67.4 -55.7 -20.1 36.2 2.4 -0.9 74 78 A T T 345S+ 0 0 131 1,-0.2 -1,-0.3 3,-0.1 -2,-0.0 0.942 114.9 24.1 -64.3 -50.8 39.8 1.4 0.1 75 79 A N T <45S- 0 0 59 -3,-1.1 -37,-0.2 2,-0.1 -1,-0.2 0.396 104.1-124.7 -93.4 1.3 38.8 -1.9 1.7 76 80 A T T <5 + 0 0 47 -4,-1.0 -39,-1.2 1,-0.2 -38,-0.7 0.957 64.1 147.4 44.3 54.3 35.6 -2.1 -0.3 77 81 A T E < -CD 36 72A 13 -5,-1.5 -5,-2.1 -41,-0.2 2,-0.5 -0.972 42.5-155.2-123.6 134.5 33.8 -2.4 3.0 78 82 A L E -CD 35 71A 9 -43,-3.3 -43,-2.9 -2,-0.4 2,-0.5 -0.936 13.7-157.2-104.9 125.1 30.4 -1.1 4.1 79 83 A Y E -CD 34 70A 25 -9,-2.5 -9,-2.6 -2,-0.5 2,-0.7 -0.901 3.8-160.3-106.3 125.0 30.0 -0.5 7.9 80 84 A I E -CD 33 69A 8 -47,-2.6 -47,-1.8 -2,-0.5 2,-0.4 -0.919 13.0-153.1-105.3 114.8 26.6 -0.5 9.4 81 85 A V E +CD 32 68A 0 -13,-2.0 -14,-1.8 -2,-0.7 -13,-1.4 -0.764 25.2 159.5 -92.7 131.5 26.7 1.3 12.8 82 86 A M E -CD 31 66A 17 -51,-2.9 -51,-2.3 -2,-0.4 -16,-0.2 -0.897 43.3 -74.0-144.0 168.6 24.1 0.2 15.4 83 87 A E E -C 30 0A 28 -18,-1.9 2,-0.5 -2,-0.3 -53,-0.2 -0.264 48.5-114.8 -64.2 153.4 23.4 0.4 19.1 84 88 A Y - 0 0 69 -55,-0.6 2,-0.8 -63,-0.0 -1,-0.1 -0.805 19.0-157.9 -93.1 129.5 25.4 -1.9 21.4 85 89 A C > - 0 0 14 -2,-0.5 3,-2.2 1,-0.1 52,-0.3 -0.855 4.2-167.6-107.2 96.2 23.4 -4.6 23.3 86 90 A E T 3 S+ 0 0 131 -2,-0.8 52,-0.2 1,-0.3 -1,-0.1 0.667 79.9 65.5 -64.0 -14.8 25.6 -5.5 26.2 87 91 A G T 3 S- 0 0 36 50,-2.5 -1,-0.3 1,-0.3 51,-0.2 0.536 94.2-144.8 -86.2 -5.4 23.6 -8.6 27.0 88 92 A G E < -F 137 0B 32 -3,-2.2 49,-2.2 49,-0.5 -1,-0.3 -0.379 39.4 -35.7 75.2-156.1 24.5 -10.4 23.8 89 93 A D E > -F 136 0B 32 47,-0.2 4,-1.0 1,-0.1 3,-0.3 -0.568 45.9-117.1-106.9 168.9 22.0 -12.7 22.1 90 94 A L H > S+ 0 0 0 45,-2.0 4,-2.2 42,-1.3 43,-0.2 0.774 110.4 66.4 -74.7 -25.9 19.3 -15.1 23.2 91 95 A A H > S+ 0 0 30 41,-0.9 4,-1.9 44,-0.3 -1,-0.2 0.896 102.3 47.4 -59.6 -39.7 21.1 -18.0 21.7 92 96 A S H > S+ 0 0 74 -3,-0.3 4,-2.2 2,-0.2 -1,-0.2 0.816 109.0 54.2 -73.0 -30.2 23.9 -17.6 24.3 93 97 A V H X S+ 0 0 30 -4,-1.0 4,-1.7 2,-0.2 -2,-0.2 0.922 110.3 46.4 -67.5 -43.1 21.5 -17.2 27.1 94 98 A I H X S+ 0 0 7 -4,-2.2 4,-2.2 2,-0.2 -2,-0.2 0.882 112.3 50.1 -66.3 -39.5 19.8 -20.6 26.2 95 99 A T H X S+ 0 0 94 -4,-1.9 4,-1.8 1,-0.2 -1,-0.2 0.926 108.2 54.7 -63.9 -42.6 23.2 -22.2 25.8 96 100 A K H X S+ 0 0 132 -4,-2.2 4,-0.8 1,-0.2 -2,-0.2 0.856 110.4 45.4 -57.5 -40.5 24.2 -20.9 29.3 97 101 A G H X>S+ 0 0 5 -4,-1.7 5,-2.1 2,-0.2 4,-0.9 0.885 107.0 57.7 -72.4 -40.4 21.1 -22.4 30.9 98 102 A T H <5S+ 0 0 84 -4,-2.2 3,-0.3 1,-0.2 -2,-0.2 0.894 113.4 40.4 -54.5 -41.9 21.5 -25.8 29.1 99 103 A K H <5S+ 0 0 81 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.609 114.5 50.8 -88.1 -14.3 25.0 -26.1 30.7 100 104 A E H <5S- 0 0 111 -4,-0.8 -1,-0.2 -3,-0.3 -2,-0.2 0.456 102.6-127.9 -95.3 -3.5 24.1 -24.7 34.1 101 105 A R T <5 + 0 0 91 -4,-0.9 2,-0.4 -3,-0.3 -3,-0.2 0.956 69.1 134.9 50.0 51.7 21.1 -27.1 34.4 102 106 A Q < - 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0 0 16 0, 0.0 -9,-0.1 0, 0.0 -10,-0.1 -0.295 34.5-116.9 -68.4 157.4 13.1 -26.5 20.6 190 215 A P S S+ 0 0 14 0, 0.0 2,-0.4 0, 0.0 19,-0.3 0.801 101.5 40.2 -69.9 -28.3 9.6 -28.1 20.6 191 216 A F S S+ 0 0 4 -35,-0.2 2,-0.3 17,-0.1 8,-0.1 -0.985 71.1 171.4-123.4 126.5 10.4 -30.3 17.6 192 217 A T + 0 0 61 -2,-0.4 2,-0.3 6,-0.1 3,-0.1 -0.936 5.4 150.6-132.4 157.6 13.7 -32.0 17.0 193 218 A A - 0 0 14 -2,-0.3 3,-0.1 1,-0.1 -2,-0.0 -0.961 46.1-122.0-172.6 165.6 15.0 -34.6 14.6 194 219 A F S S+ 0 0 209 -2,-0.3 2,-0.3 1,-0.1 -1,-0.1 0.673 97.6 37.3 -94.9 -21.3 18.2 -35.6 12.9 195 220 A S S > S- 0 0 44 1,-0.1 4,-2.4 -3,-0.1 5,-0.1 -0.908 80.5-122.4-126.3 157.8 16.9 -35.2 9.4 196 221 A Q H > S+ 0 0 113 -2,-0.3 4,-2.7 2,-0.2 5,-0.2 0.814 112.3 57.0 -68.2 -30.0 14.6 -32.6 7.8 197 222 A K H > S+ 0 0 82 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.933 110.9 43.0 -65.4 -44.7 12.2 -35.3 6.7 198 223 A E H > S+ 0 0 113 2,-0.2 4,-1.8 1,-0.2 -2,-0.2 0.889 113.1 53.2 -66.9 -39.8 11.8 -36.5 10.2 199 224 A L H X S+ 0 0 0 -4,-2.4 4,-2.7 1,-0.2 5,-0.2 0.934 108.4 50.1 -57.5 -47.4 11.6 -32.9 11.5 200 225 A A H X S+ 0 0 27 -4,-2.7 4,-2.4 1,-0.2 -2,-0.2 0.879 107.0 53.8 -63.5 -40.7 8.8 -32.2 9.0 201 226 A G H X S+ 0 0 39 -4,-1.9 4,-1.4 2,-0.2 -1,-0.2 0.887 111.6 46.5 -58.3 -40.2 6.9 -35.3 10.1 202 227 A K H X>S+ 0 0 101 -4,-1.8 4,-1.6 2,-0.2 5,-0.6 0.947 111.2 49.5 -68.6 -48.9 7.1 -34.1 13.7 203 228 A I H <5S+ 0 0 1 -4,-2.7 -2,-0.2 1,-0.2 -1,-0.2 0.888 110.3 53.2 -56.4 -39.6 6.1 -30.5 13.0 204 229 A R H <5S+ 0 0 101 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.844 105.5 52.8 -64.3 -35.8 3.1 -31.9 11.0 205 230 A E H <5S- 0 0 117 -4,-1.4 -1,-0.2 -3,-0.3 -2,-0.2 0.790 94.9-149.8 -72.9 -28.3 2.0 -34.0 13.9 206 231 A G T <5 + 0 0 17 -4,-1.6 2,-0.3 1,-0.2 -3,-0.1 0.638 47.0 132.0 71.9 18.0 2.0 -30.8 16.1 207 232 A K < + 0 0 145 -5,-0.6 2,-0.3 -17,-0.0 -1,-0.2 -0.798 21.5 153.8-104.4 145.2 2.8 -32.7 19.4 208 233 A F - 0 0 51 -2,-0.3 -17,-0.1 -17,-0.1 3,-0.1 -0.966 46.2 -84.3-158.7 163.7 5.5 -31.7 21.9 209 234 A R - 0 0 195 -19,-0.3 2,-0.1 -2,-0.3 -23,-0.1 -0.356 51.4-101.1 -69.5 151.6 6.3 -32.0 25.6 210 235 A R - 0 0 59 1,-0.1 3,-0.1 -2,-0.0 -1,-0.1 -0.463 45.7-100.6 -62.7 148.4 4.8 -29.5 28.0 211 236 A I - 0 0 1 1,-0.2 -1,-0.1 -2,-0.1 -25,-0.1 -0.277 64.7 -62.2 -61.4 160.4 7.2 -26.8 29.0 212 237 A P > - 0 0 21 0, 0.0 3,-2.2 0, 0.0 -1,-0.2 -0.104 47.0-117.7 -49.4 144.2 8.7 -27.4 32.5 213 238 A Y T 3 S+ 0 0 191 1,-0.3 4,-0.1 -3,-0.1 -2,-0.1 0.638 107.6 74.7 -60.7 -18.0 6.3 -27.5 35.5 214 239 A R T 3 S+ 0 0 121 2,-0.1 2,-0.3 -108,-0.0 -1,-0.3 0.749 85.5 80.9 -66.5 -21.5 8.0 -24.5 37.1 215 240 A Y S < S- 0 0 2 -3,-2.2 -110,-0.0 1,-0.1 -30,-0.0 -0.660 93.3-104.9 -86.3 141.3 6.3 -22.4 34.4 216 241 A S > - 0 0 30 -2,-0.3 4,-2.6 1,-0.1 3,-0.3 -0.197 19.6-117.2 -67.1 153.9 2.6 -21.5 35.0 217 242 A D H > S+ 0 0 112 1,-0.2 4,-2.5 2,-0.2 -1,-0.1 0.813 116.0 58.0 -53.4 -35.1 -0.3 -23.1 33.2 218 243 A E H > S+ 0 0 102 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.898 107.2 44.7 -67.6 -41.4 -1.1 -19.7 31.7 219 244 A L H > S+ 0 0 0 -3,-0.3 4,-2.4 2,-0.2 5,-0.3 0.943 113.9 50.6 -66.1 -46.5 2.4 -19.4 30.1 220 245 A N H X S+ 0 0 29 -4,-2.6 4,-2.9 1,-0.2 -2,-0.2 0.926 109.0 53.4 -55.3 -43.6 2.2 -22.9 28.8 221 246 A E H X S+ 0 0 97 -4,-2.5 4,-2.6 2,-0.2 -1,-0.2 0.896 110.3 43.8 -60.4 -47.0 -1.3 -22.2 27.4 222 247 A I H X S+ 0 0 4 -4,-1.9 4,-1.9 2,-0.2 -1,-0.2 0.933 115.0 48.3 -73.2 -39.5 -0.3 -19.2 25.3 223 248 A I H X S+ 0 0 0 -4,-2.4 4,-1.1 2,-0.2 -2,-0.2 0.950 112.0 51.1 -58.4 -44.5 2.9 -20.8 24.0 224 249 A T H >< S+ 0 0 52 -4,-2.9 3,-0.8 -5,-0.3 -2,-0.2 0.925 107.3 53.3 -60.7 -41.5 0.8 -23.9 23.2 225 250 A R H >< S+ 0 0 124 -4,-2.6 3,-1.4 1,-0.2 -1,-0.2 0.860 104.6 55.1 -60.3 -38.6 -1.7 -21.7 21.3 226 251 A M H 3< S+ 0 0 0 -4,-1.9 -1,-0.2 1,-0.3 -48,-0.2 0.743 105.4 54.4 -63.7 -25.3 1.1 -20.2 19.2 227 252 A L T << S+ 0 0 3 -4,-1.1 -1,-0.3 -3,-0.8 -2,-0.2 0.108 77.9 136.3 -98.1 21.2 2.1 -23.7 18.2 228 253 A N < - 0 0 58 -3,-1.4 6,-0.1 1,-0.1 -22,-0.1 -0.463 59.8-131.9 -66.0 138.1 -1.4 -24.6 16.9 229 254 A L S S+ 0 0 63 -2,-0.1 2,-0.6 -23,-0.1 -68,-0.2 0.825 93.1 71.3 -60.1 -33.0 -1.2 -26.4 13.6 230 255 A K S >> S- 0 0 100 1,-0.1 3,-1.7 -70,-0.1 4,-0.8 -0.777 75.0-149.6 -88.6 120.3 -3.9 -24.1 12.2 231 256 A D G >4 S+ 0 0 45 -2,-0.6 3,-0.8 1,-0.3 -1,-0.1 0.863 97.2 58.6 -56.8 -34.5 -2.6 -20.6 11.5 232 257 A Y G 34 S+ 0 0 142 1,-0.2 -1,-0.3 -3,-0.1 4,-0.1 0.652 100.8 55.5 -73.2 -14.1 -6.1 -19.2 12.3 233 258 A H G <4 S+ 0 0 107 -3,-1.7 -1,-0.2 2,-0.1 -2,-0.2 0.616 87.2 96.4 -88.6 -15.0 -6.1 -20.7 15.8 234 259 A R S << S- 0 0 1 -3,-0.8 -8,-0.2 -4,-0.8 2,-0.1 -0.495 86.6-103.6 -71.8 143.9 -2.9 -19.0 16.8 235 260 A P - 0 0 10 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 -0.364 31.2-123.1 -69.9 146.0 -3.3 -15.7 18.7 236 261 A S > - 0 0 27 1,-0.1 4,-2.3 -4,-0.1 5,-0.2 -0.310 31.7-101.1 -72.2 169.2 -2.8 -12.4 16.9 237 262 A V H > S+ 0 0 8 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.943 128.1 50.8 -52.3 -49.3 -0.3 -9.9 18.2 238 263 A E H > S+ 0 0 114 1,-0.2 4,-1.3 2,-0.2 -1,-0.2 0.906 109.2 49.6 -56.7 -44.0 -3.3 -8.0 19.6 239 264 A E H 4 S+ 0 0 120 1,-0.2 4,-0.3 2,-0.2 -1,-0.2 0.848 109.6 51.9 -67.5 -33.0 -4.6 -11.2 21.3 240 265 A I H >< S+ 0 0 0 -4,-2.3 3,-1.7 1,-0.2 6,-0.2 0.938 108.6 49.9 -66.1 -46.4 -1.1 -12.0 22.8 241 266 A L H 3< S+ 0 0 35 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.754 102.8 61.3 -69.3 -23.7 -0.8 -8.5 24.4 242 267 A E T 3< S+ 0 0 162 -4,-1.3 -1,-0.3 -5,-0.2 -2,-0.2 0.581 78.2 120.9 -71.9 -11.7 -4.2 -8.7 25.9 243 268 A N S X S- 0 0 27 -3,-1.7 3,-1.8 -4,-0.3 -3,-0.0 -0.323 71.4-130.2 -61.8 132.9 -3.1 -11.7 27.9 244 269 A P T 3 S+ 0 0 114 0, 0.0 -1,-0.1 0, 0.0 -3,-0.0 0.721 104.1 68.2 -54.4 -25.5 -3.3 -11.2 31.7 245 270 A L T 3 S+ 0 0 29 -27,-0.1 2,-0.5 2,-0.0 -4,-0.1 0.802 83.3 84.9 -59.7 -34.5 0.3 -12.3 32.1 246 271 A I < + 0 0 17 -3,-1.8 2,-0.2 -6,-0.2 -135,-0.0 -0.640 58.3 168.2 -84.5 120.8 1.6 -9.2 30.3 247 272 A L > - 0 0 91 -2,-0.5 3,-1.4 1,-0.0 4,-0.4 -0.743 49.2 -94.2-124.8 171.6 2.1 -6.2 32.5 248 273 A E G > S+ 0 0 128 1,-0.3 3,-2.0 -2,-0.2 -1,-0.0 0.886 118.9 58.0 -55.0 -46.8 3.8 -2.8 32.2 249 274 A H G 3 S+ 0 0 66 1,-0.3 -1,-0.3 4,-0.0 -3,-0.0 0.655 96.5 63.4 -63.2 -16.7 7.1 -3.9 33.8 250 275 A H G < S+ 0 0 2 -3,-1.4 -135,-0.3 2,-0.1 -1,-0.3 0.587 93.2 83.2 -79.9 -11.8 7.5 -6.6 31.1 251 276 A H S < S- 0 0 53 -3,-2.0 -136,-0.1 -4,-0.4 -140,-0.0 -0.291 96.5 -72.0 -86.5 176.1 7.7 -3.8 28.4 252 277 A H - 0 0 54 -2,-0.1 2,-0.3 -109,-0.1 -1,-0.2 -0.313 43.7-168.7 -69.3 148.0 10.8 -1.8 27.5 253 278 A H 0 0 68 -113,-0.2 -111,-0.1 -192,-0.1 -1,-0.0 -0.959 360.0 360.0-137.9 124.7 12.2 0.9 29.8 254 279 A H 0 0 188 -2,-0.3 -1,-0.1 -112,-0.0 -112,-0.0 0.672 360.0 360.0 -64.5 360.0 14.8 3.5 28.8