==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=27-MAR-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 05-AUG-10 2XNN . COMPND 2 MOLECULE: SERINE/THREONINE-PROTEIN KINASE NEK2; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR C.MAS-DROUX,R.BAYLISS . 251 5 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13902.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 160 63.7 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 . 38 15.1 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.8 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 . 13 5.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 26 10.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 75 29.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), 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 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 1 0 0 0 0 3 0 0 0 1 0 0 1 0 0 1 0 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 1 2 1 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 98 0, 0.0 2,-0.4 0, 0.0 71,-0.3 0.000 360.0 360.0 360.0 36.6 30.1 -9.2 -9.2 2 4 A R > - 0 0 35 69,-0.1 3,-2.5 1,-0.1 4,-0.3 -0.997 360.0-124.5-133.9 141.7 33.8 -8.3 -8.8 3 5 A A G > S+ 0 0 27 -2,-0.4 3,-2.4 1,-0.3 -1,-0.1 0.848 109.5 61.8 -49.1 -41.8 35.7 -5.3 -10.2 4 6 A E G 3 S+ 0 0 149 1,-0.3 -1,-0.3 -3,-0.1 21,-0.1 0.692 89.6 72.2 -63.7 -15.3 38.3 -7.5 -12.0 5 7 A D G < S+ 0 0 63 -3,-2.5 20,-2.9 19,-0.1 21,-0.4 0.666 100.0 52.4 -71.7 -16.0 35.3 -8.8 -14.0 6 8 A Y E < -A 24 0A 18 -3,-2.4 2,-0.4 -4,-0.3 18,-0.2 -0.855 69.1-148.6-121.6 157.0 35.2 -5.5 -15.8 7 9 A E E -A 23 0A 106 16,-2.2 16,-2.3 -2,-0.3 2,-0.3 -0.989 21.4-125.6-125.9 129.9 37.7 -3.3 -17.7 8 10 A V E -A 22 0A 61 -2,-0.4 14,-0.3 14,-0.2 3,-0.1 -0.555 21.6-177.2 -74.3 126.8 37.5 0.5 -17.8 9 11 A L E - 0 0 64 12,-2.8 2,-0.3 -2,-0.3 13,-0.2 0.862 63.1 -44.8 -86.3 -46.2 37.4 2.0 -21.3 10 12 A Y E -A 21 0A 117 11,-1.4 11,-2.7 0, 0.0 -1,-0.3 -0.933 57.9 -86.4-178.7 161.3 37.4 5.6 -20.2 11 13 A T E -A 20 0A 52 -2,-0.3 9,-0.3 9,-0.2 3,-0.1 -0.581 27.7-177.6 -81.4 134.3 35.9 8.3 -17.9 12 14 A I E - 0 0 90 7,-2.8 2,-0.3 1,-0.4 8,-0.2 0.857 66.9 -8.4 -94.1 -48.7 32.8 10.0 -19.0 13 15 A G E A 19 0A 30 6,-1.5 6,-3.4 0, 0.0 -1,-0.4 -0.994 360.0 360.0-153.8 155.2 32.3 12.4 -16.2 14 16 A T 0 0 143 -2,-0.3 4,-0.3 4,-0.2 6,-0.0 -0.687 360.0 360.0-127.5 360.0 33.6 13.4 -12.8 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 19 A Y 0 0 129 0, 0.0 2,-0.3 0, 0.0 -2,-0.0 0.000 360.0 360.0 360.0 77.2 29.0 12.4 -6.8 17 20 A G - 0 0 40 19,-0.1 2,-0.3 2,-0.0 19,-0.2 -0.807 360.0 -41.0 149.2-103.1 32.1 10.6 -7.8 18 21 A R - 0 0 93 17,-0.4 17,-3.0 -2,-0.3 2,-0.5 -0.869 38.4-147.9-169.5 128.3 33.1 9.4 -11.3 19 22 A C E -AB 13 34A 22 -6,-3.4 -7,-2.8 -2,-0.3 -6,-1.5 -0.899 23.5-175.8-108.1 128.8 31.2 7.8 -14.2 20 23 A Q E -AB 11 33A 10 13,-2.5 13,-2.1 -2,-0.5 2,-0.5 -0.971 28.7-127.8-132.6 141.1 33.1 5.4 -16.4 21 24 A K E +AB 10 32A 34 -11,-2.7 -12,-2.8 -2,-0.4 -11,-1.4 -0.722 42.2 180.0 -81.8 126.6 32.4 3.4 -19.6 22 25 A I E -AB 8 31A 0 9,-2.5 9,-2.6 -2,-0.5 2,-0.4 -0.843 24.8-138.7-130.0 162.9 33.3 -0.2 -18.8 23 26 A R E -AB 7 30A 106 -16,-2.3 -16,-2.2 -2,-0.3 2,-0.5 -0.983 18.5-131.2-128.5 124.8 33.4 -3.5 -20.5 24 27 A R E > -A 6 0A 55 5,-2.6 4,-2.2 -2,-0.4 5,-0.4 -0.612 17.1-146.5 -72.0 122.5 32.3 -6.8 -18.9 25 28 A K T 4 S+ 0 0 123 -20,-2.9 -1,-0.1 -2,-0.5 -19,-0.1 0.847 87.9 61.4 -60.5 -41.8 35.1 -9.3 -19.6 26 29 A S T 4 S+ 0 0 106 -21,-0.4 -1,-0.2 1,-0.2 -20,-0.1 0.909 129.3 3.0 -56.4 -49.2 32.9 -12.4 -20.0 27 30 A D T 4 S- 0 0 98 -3,-0.2 -1,-0.2 2,-0.1 -2,-0.2 0.436 95.9-115.6-120.1 -3.3 30.8 -11.3 -22.9 28 31 A G < + 0 0 33 -4,-2.2 2,-0.2 1,-0.2 -3,-0.2 0.731 53.0 168.7 73.1 23.7 32.3 -7.9 -23.8 29 32 A K - 0 0 82 -5,-0.4 -5,-2.6 1,-0.1 2,-0.5 -0.500 33.8-125.2 -72.3 135.0 29.1 -6.1 -23.0 30 33 A I E +B 23 0A 61 -2,-0.2 55,-0.6 -7,-0.2 2,-0.2 -0.693 46.1 145.6 -84.7 125.1 29.3 -2.3 -22.8 31 34 A L E -BC 22 84A 0 -9,-2.6 -9,-2.5 -2,-0.5 2,-0.3 -0.722 36.3-128.4-139.1-176.0 28.1 -0.8 -19.5 32 35 A V E -BC 21 83A 7 51,-2.3 51,-3.4 -11,-0.3 2,-0.3 -0.963 14.4-159.3-134.8 157.7 28.9 2.1 -17.2 33 36 A W E -BC 20 82A 10 -13,-2.1 -13,-2.5 -2,-0.3 2,-0.5 -0.990 15.0-134.8-132.1 150.2 29.6 2.3 -13.5 34 37 A K E -BC 19 81A 73 47,-2.2 47,-2.3 -2,-0.3 2,-0.7 -0.893 22.5-143.8 -97.3 132.4 29.4 5.1 -11.0 35 38 A E E - C 0 80A 35 -17,-3.0 2,-0.4 -2,-0.5 -17,-0.4 -0.855 20.8-178.0-106.6 109.5 32.4 5.2 -8.7 36 39 A L E - C 0 79A 23 43,-3.5 43,-3.6 -2,-0.7 2,-0.8 -0.903 21.4-150.2-113.4 136.5 31.7 6.2 -5.1 37 40 A D E > + C 0 78A 105 -2,-0.4 3,-0.6 41,-0.2 41,-0.2 -0.837 20.2 170.7-101.0 96.4 34.2 6.7 -2.2 38 41 A Y G > + 0 0 29 39,-1.2 3,-2.3 -2,-0.8 40,-0.1 0.320 45.4 111.6 -86.5 7.7 32.2 5.8 1.0 39 42 A G G 3 S+ 0 0 43 38,-0.8 -1,-0.2 1,-0.3 38,-0.1 0.812 80.3 43.8 -50.8 -35.2 35.4 5.9 3.0 40 43 A S G < S+ 0 0 115 -3,-0.6 -1,-0.3 37,-0.1 2,-0.3 0.214 92.8 114.6 -98.7 14.5 34.3 9.1 4.9 41 44 A M < - 0 0 58 -3,-2.3 2,-0.1 1,-0.1 -3,-0.0 -0.606 63.4-124.6 -91.2 146.9 30.7 7.9 5.4 42 45 A T > - 0 0 85 -2,-0.3 4,-2.0 1,-0.1 5,-0.2 -0.369 32.8-107.4 -75.0 161.3 29.0 7.2 8.8 43 46 A E H > S+ 0 0 164 1,-0.2 4,-1.3 2,-0.2 -1,-0.1 0.864 124.9 52.1 -57.0 -33.3 27.4 3.8 9.3 44 47 A A H > S+ 0 0 65 2,-0.2 4,-2.2 1,-0.2 3,-0.3 0.936 107.3 48.8 -68.7 -49.4 24.1 5.8 8.9 45 48 A E H > S+ 0 0 109 1,-0.2 4,-1.3 2,-0.2 -1,-0.2 0.822 113.7 48.5 -58.9 -31.8 25.1 7.4 5.7 46 49 A K H X S+ 0 0 79 -4,-2.0 4,-1.2 2,-0.2 -1,-0.2 0.728 107.3 56.1 -81.7 -24.1 26.1 4.0 4.4 47 50 A Q H X S+ 0 0 125 -4,-1.3 4,-1.5 -3,-0.3 -2,-0.2 0.917 108.9 45.1 -70.5 -45.9 22.8 2.5 5.6 48 51 A M H X S+ 0 0 59 -4,-2.2 4,-1.8 1,-0.2 -2,-0.2 0.858 111.8 54.2 -65.2 -36.6 20.8 5.0 3.5 49 52 A L H X S+ 0 0 50 -4,-1.3 4,-1.7 -5,-0.2 -1,-0.2 0.833 106.1 52.3 -64.9 -33.5 23.1 4.4 0.6 50 53 A V H X S+ 0 0 80 -4,-1.2 4,-1.2 1,-0.2 -2,-0.2 0.859 112.6 44.1 -71.0 -35.2 22.5 0.6 0.8 51 54 A S H X S+ 0 0 60 -4,-1.5 4,-0.9 2,-0.2 -2,-0.2 0.753 110.5 54.2 -82.8 -27.1 18.7 1.1 0.7 52 55 A E H X S+ 0 0 48 -4,-1.8 4,-1.1 2,-0.2 3,-0.3 0.901 110.0 48.4 -68.0 -40.6 18.9 3.7 -2.1 53 56 A V H X S+ 0 0 11 -4,-1.7 4,-0.9 1,-0.2 -2,-0.2 0.819 106.9 55.1 -71.4 -32.3 20.8 1.2 -4.2 54 57 A N H < S+ 0 0 98 -4,-1.2 4,-0.4 1,-0.2 -1,-0.2 0.748 104.6 55.1 -72.7 -22.3 18.3 -1.6 -3.4 55 58 A L H < S+ 0 0 129 -4,-0.9 3,-0.3 -3,-0.3 -1,-0.2 0.752 101.7 57.4 -77.5 -28.8 15.6 0.7 -4.7 56 59 A L H >< S+ 0 0 31 -4,-1.1 3,-0.8 1,-0.2 11,-0.4 0.811 103.5 54.5 -64.9 -31.2 17.5 1.0 -8.0 57 60 A R T 3< S+ 0 0 43 -4,-0.9 -1,-0.2 1,-0.2 -2,-0.2 0.726 94.9 70.0 -76.4 -18.7 17.4 -2.7 -8.3 58 61 A E T 3 S+ 0 0 69 -4,-0.4 2,-0.5 -3,-0.3 -1,-0.2 0.299 86.4 75.7 -84.1 9.3 13.6 -2.8 -8.0 59 62 A L < + 0 0 18 -3,-0.8 2,-0.5 6,-0.1 8,-0.5 -0.928 44.6 167.0-134.7 110.9 12.9 -1.2 -11.4 60 63 A K + 0 0 76 -2,-0.5 5,-0.1 6,-0.1 6,-0.1 -0.913 24.0 138.1-123.1 103.0 13.1 -2.9 -14.8 61 64 A H > - 0 0 44 -2,-0.5 3,-2.1 3,-0.5 -2,-0.0 -0.998 57.3-124.3-148.6 141.6 11.5 -0.9 -17.6 62 65 A P T 3 S+ 0 0 43 0, 0.0 192,-0.1 0, 0.0 4,-0.1 0.750 113.7 46.4 -64.5 -19.8 12.6 -0.2 -21.1 63 66 A N T 3 S+ 0 0 1 83,-0.1 84,-3.2 56,-0.1 2,-0.4 0.269 100.2 77.9-107.6 13.6 12.4 3.6 -20.5 64 67 A I B < S-e 147 0B 1 -3,-2.1 -3,-0.5 82,-0.3 84,-0.2 -0.986 93.9-104.3-121.7 127.8 14.2 3.6 -17.2 65 68 A V - 0 0 18 82,-2.7 2,-0.2 -2,-0.4 -6,-0.1 -0.249 46.9-123.2 -51.2 123.7 18.0 3.4 -17.0 66 69 A R - 0 0 85 -4,-0.1 18,-2.1 -6,-0.1 2,-0.4 -0.511 12.8-143.2 -80.4 133.7 18.7 -0.2 -15.9 67 70 A Y E +D 83 0A 32 -8,-0.5 16,-0.2 -11,-0.4 3,-0.1 -0.760 23.2 170.1 -86.5 138.8 20.7 -1.3 -12.8 68 71 A Y E - 0 0 86 14,-3.0 2,-0.3 1,-0.4 15,-0.2 0.747 52.2 -18.8-115.2 -40.0 22.9 -4.4 -13.3 69 72 A D E -D 82 0A 25 13,-1.4 13,-2.7 2,-0.0 -1,-0.4 -0.978 42.4-134.5-167.0 162.2 25.2 -4.8 -10.4 70 73 A R E -D 81 0A 49 -2,-0.3 2,-0.5 11,-0.2 11,-0.2 -0.987 17.9-166.8-137.5 127.9 27.0 -3.4 -7.3 71 74 A I E -D 80 0A 4 9,-2.3 9,-2.7 -2,-0.4 2,-0.5 -0.957 5.2-157.9-117.7 122.1 30.7 -4.0 -6.5 72 75 A I E -D 79 0A 115 -2,-0.5 2,-0.6 -71,-0.3 7,-0.2 -0.865 6.3-172.8 -99.0 125.7 32.2 -3.2 -3.2 73 76 A D E >>> -D 78 0A 50 5,-3.0 5,-2.1 -2,-0.5 3,-0.6 -0.855 4.0-178.8-112.7 89.0 36.0 -2.7 -3.1 74 77 A R T 345S+ 0 0 89 -2,-0.6 -1,-0.1 1,-0.2 5,-0.1 0.587 75.5 65.4 -69.8 -10.8 36.7 -2.4 0.7 75 78 A T T 345S+ 0 0 137 1,-0.2 -1,-0.2 3,-0.1 -2,-0.0 0.891 116.0 25.8 -77.1 -42.0 40.4 -1.8 0.0 76 79 A N T <45S- 0 0 51 -3,-0.6 -37,-0.2 2,-0.2 -2,-0.2 0.308 106.8-123.4 -98.4 6.7 39.9 1.5 -1.7 77 80 A T T <5 + 0 0 45 -4,-0.5 -39,-1.2 1,-0.2 -38,-0.8 0.863 64.7 146.2 46.6 41.4 36.6 2.1 0.1 78 81 A T E < -CD 37 73A 15 -5,-2.1 -5,-3.0 -41,-0.2 2,-0.4 -0.869 37.6-160.5-110.3 138.8 35.1 2.4 -3.3 79 82 A L E -CD 36 72A 20 -43,-3.6 -43,-3.5 -2,-0.4 2,-0.5 -0.976 7.8-158.1-116.3 130.2 31.5 1.4 -4.3 80 83 A Y E -CD 35 71A 23 -9,-2.7 -9,-2.3 -2,-0.4 2,-0.6 -0.934 4.3-160.4-111.1 125.4 30.7 0.8 -8.0 81 84 A I E -CD 34 70A 18 -47,-2.3 -47,-2.2 -2,-0.5 2,-0.5 -0.924 15.5-151.5-101.2 120.2 27.1 0.9 -9.3 82 85 A V E +CD 33 69A 0 -13,-2.7 -14,-3.0 -2,-0.6 -13,-1.4 -0.784 26.8 158.2 -96.9 126.4 27.0 -0.8 -12.7 83 86 A M E -CD 32 67A 17 -51,-3.4 -51,-2.3 -2,-0.5 -16,-0.2 -0.829 41.9 -63.3-140.9 176.3 24.3 0.3 -15.1 84 87 A E E -C 31 0A 34 -18,-2.1 2,-0.5 -2,-0.3 -53,-0.2 -0.281 44.8-129.6 -58.8 138.4 23.1 0.5 -18.7 85 88 A Y - 0 0 57 -55,-0.6 2,-0.7 -63,-0.0 -1,-0.1 -0.830 16.4-162.0 -89.8 128.2 25.3 2.4 -21.2 86 89 A C > - 0 0 15 -2,-0.5 3,-2.0 54,-0.1 53,-0.3 -0.892 0.7-164.5-113.4 102.0 23.2 5.0 -23.2 87 90 A E T 3 S+ 0 0 132 -2,-0.7 53,-0.2 1,-0.3 -1,-0.1 0.693 82.1 60.2 -65.8 -20.3 25.3 5.8 -26.2 88 91 A G T 3 S- 0 0 39 51,-2.1 -1,-0.3 1,-0.2 52,-0.2 0.497 97.3-145.0 -86.4 -4.1 23.4 9.0 -27.2 89 92 A G E < -F 139 0B 28 -3,-2.0 50,-2.5 50,-0.6 -1,-0.2 -0.265 35.2 -33.0 76.0-159.9 24.1 10.7 -23.9 90 93 A D E > -F 138 0B 35 48,-0.2 4,-1.0 1,-0.1 48,-0.2 -0.471 47.8-118.2 -97.9 167.8 21.8 13.0 -22.0 91 94 A L H > S+ 0 0 0 46,-1.6 4,-2.5 43,-1.6 44,-0.2 0.756 106.4 68.0 -77.0 -29.8 19.2 15.6 -23.1 92 95 A A H > S+ 0 0 31 42,-0.9 4,-2.6 45,-0.2 -1,-0.2 0.919 103.1 47.4 -52.3 -46.3 20.9 18.6 -21.6 93 96 A S H > S+ 0 0 65 2,-0.2 4,-3.1 1,-0.2 -1,-0.2 0.896 109.0 52.9 -62.7 -43.9 23.7 18.1 -24.2 94 97 A V H X S+ 0 0 30 -4,-1.0 4,-1.0 2,-0.2 -1,-0.2 0.907 112.5 45.1 -59.5 -43.7 21.2 17.7 -27.0 95 98 A I H X S+ 0 0 5 -4,-2.5 4,-2.3 2,-0.2 3,-0.4 0.910 113.3 48.9 -67.1 -45.8 19.5 21.0 -26.1 96 99 A T H X S+ 0 0 74 -4,-2.6 4,-1.9 1,-0.2 5,-0.2 0.921 110.4 52.5 -58.6 -44.1 22.8 22.8 -25.6 97 100 A K H X S+ 0 0 155 -4,-3.1 4,-1.7 1,-0.2 -1,-0.2 0.735 110.5 47.7 -64.3 -25.3 23.9 21.5 -29.0 98 101 A G H <>S+ 0 0 6 -4,-1.0 5,-1.6 -3,-0.4 -1,-0.2 0.822 108.0 54.8 -84.7 -34.9 20.8 22.8 -30.6 99 102 A T H <5S+ 0 0 67 -4,-2.3 -2,-0.2 3,-0.2 -3,-0.1 0.908 117.8 35.7 -57.9 -43.9 21.1 26.2 -29.0 100 103 A K H <5S+ 0 0 157 -4,-1.9 -2,-0.2 1,-0.2 -3,-0.2 0.916 117.1 47.4 -84.6 -48.3 24.6 26.6 -30.4 101 104 A E T <5S- 0 0 68 -4,-1.7 -1,-0.2 -5,-0.2 -2,-0.2 0.475 106.7-133.2 -67.0 0.7 24.3 24.9 -33.8 102 105 A R T 5 + 0 0 83 -4,-0.2 2,-0.4 1,-0.2 -3,-0.2 0.862 61.4 131.1 44.2 48.2 21.2 27.1 -33.9 103 106 A Q < - 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0 0 18 0, 0.0 3,-0.2 0, 0.0 -9,-0.1 -0.380 36.1-113.4 -72.6 158.1 12.5 26.9 -20.5 191 215 A P S S+ 0 0 13 0, 0.0 2,-0.5 0, 0.0 19,-0.3 0.870 106.8 35.8 -60.5 -37.4 9.0 28.3 -20.5 192 216 A F S S+ 0 0 2 -34,-0.2 2,-0.3 17,-0.1 17,-0.1 -0.951 72.4 179.5-124.0 113.2 9.9 30.7 -17.7 193 217 A T + 0 0 59 -2,-0.5 2,-0.3 -3,-0.2 10,-0.1 -0.767 11.4 150.7-105.8 154.8 13.3 32.3 -17.4 194 218 A A - 0 0 13 -2,-0.3 -38,-0.1 1,-0.1 -36,-0.0 -0.965 47.3-123.2-171.8 166.3 14.5 34.7 -14.7 195 219 A F S S+ 0 0 199 -2,-0.3 2,-0.2 2,-0.0 -1,-0.1 0.790 95.4 30.1 -90.9 -32.1 17.7 35.8 -12.9 196 220 A S S > S- 0 0 54 1,-0.1 4,-1.9 -40,-0.0 5,-0.1 -0.733 80.4-117.4-119.3 171.6 16.4 35.1 -9.4 197 221 A Q H > S+ 0 0 104 -2,-0.2 4,-2.6 2,-0.2 5,-0.1 0.741 115.0 57.0 -80.1 -23.5 14.0 32.6 -7.9 198 222 A K H > S+ 0 0 100 2,-0.2 4,-1.8 3,-0.2 -1,-0.2 0.916 109.3 44.9 -72.0 -43.6 11.7 35.3 -6.7 199 223 A E H > S+ 0 0 75 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.950 113.9 50.6 -59.9 -51.0 11.5 36.6 -10.3 200 224 A L H X S+ 0 0 1 -4,-1.9 4,-2.6 1,-0.2 5,-0.2 0.941 108.3 51.7 -49.3 -53.9 11.0 33.1 -11.6 201 225 A A H X S+ 0 0 10 -4,-2.6 4,-1.8 1,-0.2 -1,-0.2 0.873 107.3 55.3 -54.2 -39.0 8.3 32.5 -9.0 202 226 A G H X S+ 0 0 30 -4,-1.8 4,-1.0 1,-0.2 3,-0.3 0.969 109.7 43.7 -57.4 -57.5 6.6 35.7 -10.3 203 227 A K H X>S+ 0 0 82 -4,-2.3 4,-1.4 1,-0.2 5,-0.7 0.857 110.0 56.4 -57.2 -40.0 6.5 34.5 -13.9 204 228 A I H <5S+ 0 0 0 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.895 104.5 52.4 -62.4 -39.5 5.3 31.0 -13.0 205 229 A R H <5S+ 0 0 131 -4,-1.8 -1,-0.2 -3,-0.3 -2,-0.2 0.754 106.4 53.0 -72.4 -22.8 2.3 32.4 -11.1 206 230 A E H <5S- 0 0 128 -4,-1.0 -1,-0.2 -3,-0.4 -2,-0.2 0.761 97.0-149.8 -78.2 -26.6 1.2 34.4 -14.1 207 231 A G T <5 + 0 0 17 -4,-1.4 2,-0.4 1,-0.2 -3,-0.1 0.683 44.8 137.8 71.9 20.7 1.4 31.2 -16.2 208 232 A K < + 0 0 152 -5,-0.7 2,-0.3 -17,-0.0 -1,-0.2 -0.790 17.3 150.5-106.8 142.6 2.4 32.9 -19.4 209 233 A F - 0 0 54 -2,-0.4 2,-0.2 -17,-0.1 -17,-0.1 -0.939 45.4 -85.5-157.0 168.8 5.0 31.8 -21.9 210 234 A R - 0 0 188 -19,-0.3 2,-0.1 -2,-0.3 -23,-0.1 -0.479 47.8-100.9 -80.4 151.6 5.7 32.0 -25.6 211 235 A R - 0 0 60 -2,-0.2 3,-0.1 1,-0.1 -1,-0.1 -0.475 47.2-101.5 -63.0 143.8 4.3 29.6 -28.1 212 236 A I - 0 0 1 1,-0.2 -1,-0.1 -2,-0.1 4,-0.1 -0.284 64.7 -63.0 -59.7 155.9 6.8 26.9 -29.1 213 237 A P > - 0 0 22 0, 0.0 3,-2.0 0, 0.0 -1,-0.2 -0.018 48.5-115.3 -48.9 152.5 8.3 27.7 -32.5 214 238 A Y T 3 S+ 0 0 192 1,-0.3 4,-0.1 -3,-0.1 -2,-0.1 0.547 108.1 76.1 -70.2 -11.3 6.0 27.7 -35.4 215 239 A R T 3 S+ 0 0 110 2,-0.1 2,-0.4 -109,-0.0 -1,-0.3 0.679 84.1 81.6 -70.5 -18.1 7.7 24.7 -37.0 216 240 A Y S < S- 0 0 1 -3,-2.0 5,-0.0 1,-0.1 -110,-0.0 -0.744 92.7-107.0 -91.8 137.6 5.9 22.6 -34.4 217 241 A S > - 0 0 31 -2,-0.4 4,-2.4 1,-0.1 5,-0.2 -0.122 20.4-116.6 -61.0 155.6 2.3 21.6 -35.1 218 242 A D H > S+ 0 0 116 1,-0.2 4,-3.1 2,-0.2 5,-0.2 0.887 117.1 58.2 -54.3 -41.7 -0.6 23.2 -33.2 219 243 A E H > S+ 0 0 106 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.926 107.6 44.3 -57.0 -46.9 -1.4 19.8 -31.9 220 244 A L H > S+ 0 0 0 1,-0.2 4,-2.0 2,-0.2 5,-0.2 0.912 114.5 50.1 -67.7 -39.7 2.1 19.5 -30.3 221 245 A N H X S+ 0 0 30 -4,-2.4 4,-2.4 1,-0.2 -2,-0.2 0.902 108.5 53.7 -61.6 -43.2 1.8 23.0 -28.9 222 246 A E H X S+ 0 0 97 -4,-3.1 4,-2.5 2,-0.2 -2,-0.2 0.926 109.6 45.4 -56.1 -49.5 -1.6 22.3 -27.5 223 247 A I H X S+ 0 0 7 -4,-1.9 4,-1.7 2,-0.2 -2,-0.2 0.940 114.5 47.2 -68.4 -42.9 -0.5 19.3 -25.5 224 248 A I H X S+ 0 0 0 -4,-2.0 4,-0.9 1,-0.2 -1,-0.2 0.900 111.6 52.7 -60.5 -40.8 2.6 20.9 -24.1 225 249 A T H >< S+ 0 0 49 -4,-2.4 3,-0.8 -5,-0.2 -2,-0.2 0.905 105.8 53.6 -62.5 -41.8 0.6 24.0 -23.2 226 250 A R H >< S+ 0 0 130 -4,-2.5 3,-1.6 1,-0.2 -1,-0.2 0.871 103.1 56.5 -61.3 -36.3 -1.9 21.8 -21.3 227 251 A M H 3< S+ 0 0 0 -4,-1.7 -1,-0.2 1,-0.3 -48,-0.2 0.776 105.2 54.4 -63.9 -24.5 0.8 20.3 -19.2 228 252 A L T << S+ 0 0 2 -4,-0.9 -1,-0.3 -3,-0.8 -2,-0.2 0.151 77.1 133.1 -99.8 15.9 1.8 23.9 -18.2 229 253 A N < - 0 0 58 -3,-1.6 6,-0.1 1,-0.1 -22,-0.1 -0.425 61.5-131.8 -62.3 140.7 -1.7 24.8 -17.0 230 254 A L S S+ 0 0 55 -23,-0.1 2,-0.7 -2,-0.1 -1,-0.1 0.810 93.5 72.6 -65.0 -30.5 -1.5 26.5 -13.5 231 255 A K S >> S- 0 0 98 1,-0.2 3,-2.2 -69,-0.1 4,-0.8 -0.789 73.6-152.6 -90.5 114.3 -4.3 24.2 -12.3 232 256 A D G >4 S+ 0 0 45 -2,-0.7 3,-1.0 1,-0.3 -1,-0.2 0.862 95.5 60.2 -52.8 -38.1 -3.0 20.7 -11.7 233 257 A Y G 34 S+ 0 0 145 1,-0.2 -1,-0.3 -3,-0.1 4,-0.1 0.593 100.9 54.1 -70.1 -11.4 -6.5 19.3 -12.4 234 258 A H G <4 S+ 0 0 110 -3,-2.2 -1,-0.2 2,-0.1 -2,-0.2 0.584 87.7 96.8 -94.2 -14.6 -6.5 20.8 -15.9 235 259 A R S << S- 0 0 1 -3,-1.0 -8,-0.2 -4,-0.8 -59,-0.1 -0.570 85.2-109.5 -71.3 138.3 -3.2 19.1 -16.8 236 260 A P - 0 0 11 0, 0.0 2,-0.1 0, 0.0 -1,-0.1 -0.329 30.1-121.4 -68.6 148.4 -3.7 15.8 -18.7 237 261 A S > - 0 0 28 1,-0.1 4,-2.4 -4,-0.1 5,-0.2 -0.420 32.1 -98.0 -79.5 164.8 -3.0 12.5 -17.0 238 262 A V H > S+ 0 0 8 1,-0.2 4,-1.8 2,-0.2 5,-0.2 0.904 129.1 51.0 -43.0 -47.0 -0.4 10.0 -18.3 239 263 A E H > S+ 0 0 106 1,-0.2 4,-1.2 2,-0.2 -1,-0.2 0.898 108.7 48.8 -63.8 -41.0 -3.4 8.2 -19.8 240 264 A E H 4 S+ 0 0 110 1,-0.2 -1,-0.2 2,-0.2 -2,-0.2 0.805 109.2 54.3 -71.2 -27.0 -4.8 11.3 -21.5 241 265 A I H >< S+ 0 0 0 -4,-2.4 3,-1.3 1,-0.2 6,-0.2 0.906 107.8 48.1 -69.3 -44.9 -1.4 12.1 -23.0 242 266 A L H 3< S+ 0 0 39 -4,-1.8 -1,-0.2 1,-0.3 -2,-0.2 0.747 102.4 64.0 -71.1 -24.9 -1.0 8.7 -24.6 243 267 A E T 3< S+ 0 0 153 -4,-1.2 -1,-0.3 -5,-0.2 -2,-0.2 0.559 77.5 118.8 -70.5 -10.2 -4.5 8.9 -26.0 244 268 A N S X S- 0 0 25 -3,-1.3 3,-2.5 -4,-0.2 -3,-0.0 -0.425 71.2-132.6 -67.1 129.4 -3.3 11.9 -28.1 245 269 A P T 3 S+ 0 0 114 0, 0.0 -1,-0.1 0, 0.0 -3,-0.0 0.728 102.8 69.3 -52.2 -27.2 -3.6 11.3 -31.9 246 270 A L T 3 S+ 0 0 33 -27,-0.1 2,-0.6 2,-0.0 -4,-0.1 0.792 82.5 84.7 -59.5 -31.2 -0.1 12.6 -32.2 247 271 A I < + 0 0 18 -3,-2.5 2,-0.3 -6,-0.2 -135,-0.0 -0.663 60.0 176.0 -91.9 116.9 1.4 9.5 -30.4 248 272 A L > - 0 0 89 -2,-0.6 3,-2.4 1,-0.0 4,-0.5 -0.749 44.7 -98.1-120.2 162.7 2.0 6.5 -32.7 249 273 A E G > S+ 0 0 125 1,-0.3 3,-1.9 -2,-0.3 -1,-0.0 0.830 118.1 58.7 -46.0 -42.9 3.5 3.1 -32.3 250 274 A H G 3 S+ 0 0 65 1,-0.3 -1,-0.3 4,-0.0 -3,-0.0 0.633 93.9 66.0 -72.9 -11.5 6.9 4.1 -33.7 251 275 A H G < S+ 0 0 1 -3,-2.4 -135,-0.3 -140,-0.0 -1,-0.3 0.635 90.5 87.4 -79.0 -14.7 7.3 6.8 -31.0 252 276 A H S < S- 0 0 56 -3,-1.9 -136,-0.1 -4,-0.5 -140,-0.0 -0.223 95.6 -74.4 -77.4 171.9 7.5 3.9 -28.4 253 277 A H - 0 0 56 -138,-0.1 2,-0.3 -109,-0.1 -1,-0.2 -0.300 46.6-168.7 -63.0 147.4 10.6 2.0 -27.3 254 278 A H 0 0 69 -112,-0.1 -112,-0.1 -192,-0.1 -110,-0.1 -0.967 360.0 360.0-141.3 131.2 12.0 -0.6 -29.7 255 279 A H 0 0 187 -2,-0.3 -1,-0.1 -111,-0.0 -111,-0.0 0.757 360.0 360.0 -70.5 360.0 14.7 -3.2 -29.0