==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=10-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 08-DEC-08 2W5A . COMPND 2 MOLECULE: SERINE/THREONINE-PROTEIN KINASE NEK2; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR I.WESTWOOD,R.BAYLISS . 267 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14491.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 173 64.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 2 0.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 39 14.6 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.7 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 . 1 0.4 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 . 15 5.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 23 8.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 87 32.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 1.1 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 1 2 0 1 0 0 3 0 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 1 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 . 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 76 0, 0.0 72,-0.4 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 25.7 -29.7 -7.8 8.2 2 4 A R > - 0 0 136 70,-0.1 3,-1.9 1,-0.1 4,-0.2 -0.990 360.0-129.4-127.0 144.1 -33.5 -7.6 8.1 3 5 A A G > S+ 0 0 29 -2,-0.4 3,-1.7 1,-0.3 -1,-0.1 0.838 108.2 62.9 -56.3 -34.8 -35.6 -4.8 9.6 4 6 A E G 3 S+ 0 0 118 1,-0.3 -1,-0.3 3,-0.1 22,-0.0 0.576 86.8 73.3 -70.9 -7.9 -37.7 -7.3 11.5 5 7 A D G < S+ 0 0 44 -3,-1.9 21,-2.6 21,-0.1 22,-0.5 0.585 102.2 45.2 -78.0 -10.2 -34.6 -8.4 13.4 6 8 A Y E < -A 25 0A 19 -3,-1.7 2,-0.5 19,-0.2 19,-0.2 -0.926 69.5-143.8-133.0 155.0 -34.8 -5.1 15.4 7 9 A E E -A 24 0A 99 17,-1.9 17,-2.2 -2,-0.3 2,-0.3 -0.982 21.4-130.4-121.0 124.5 -37.4 -3.0 17.1 8 10 A V E -A 23 0A 54 -2,-0.5 15,-0.3 15,-0.2 3,-0.1 -0.543 22.2-177.8 -68.5 128.4 -37.2 0.8 17.1 9 11 A L E - 0 0 60 13,-3.0 2,-0.3 1,-0.4 14,-0.2 0.875 59.1 -44.6 -90.0 -52.8 -37.6 2.2 20.6 10 12 A Y E -A 22 0A 117 12,-1.2 12,-2.6 0, 0.0 2,-0.5 -0.977 59.0 -85.0-170.7 167.0 -37.5 5.9 19.8 11 13 A T E -A 21 0A 53 -2,-0.3 10,-0.3 10,-0.3 3,-0.1 -0.729 27.1-168.7 -85.9 122.9 -35.7 8.6 17.8 12 14 A I E - 0 0 80 8,-2.3 2,-0.3 -2,-0.5 9,-0.2 0.917 67.0 -38.3 -74.4 -47.1 -32.6 9.9 19.5 13 15 A G E -A 20 0A 32 7,-1.6 7,-3.0 5,-0.0 2,-0.7 -0.977 53.7-105.3-169.2 163.6 -32.3 12.8 17.1 14 16 A T E -A 19 0A 110 -2,-0.3 5,-0.2 5,-0.2 2,-0.0 -0.902 37.6-164.9-101.7 115.2 -32.6 13.9 13.5 15 17 A G - 0 0 46 3,-2.5 3,-0.3 -2,-0.7 5,-0.0 -0.146 40.5 -86.8 -83.7-174.3 -29.2 14.4 11.8 16 18 A S S S+ 0 0 64 1,-0.2 3,-0.1 -2,-0.0 -1,-0.1 0.759 126.8 29.6 -67.2 -25.0 -28.5 16.2 8.5 17 19 A Y S S- 0 0 56 1,-0.4 21,-0.5 144,-0.0 2,-0.3 0.376 129.1 -42.7-120.7 2.6 -29.2 13.1 6.5 18 20 A G S S- 0 0 26 -3,-0.3 -3,-2.5 19,-0.1 -1,-0.4 -0.900 74.1 -48.3 156.0 178.4 -31.8 11.2 8.5 19 21 A R E -A 14 0A 98 -2,-0.3 17,-2.5 -5,-0.2 2,-0.5 -0.467 32.5-147.6 -78.9 145.2 -32.9 10.0 11.9 20 22 A C E -AB 13 35A 26 -7,-3.0 -8,-2.3 15,-0.2 -7,-1.6 -0.977 27.9-172.2-105.2 122.3 -30.7 8.2 14.5 21 23 A Q E -AB 11 34A 11 13,-2.6 13,-2.1 -2,-0.5 2,-0.4 -0.933 26.3-124.7-122.3 139.9 -32.9 5.8 16.4 22 24 A K E -AB 10 33A 30 -12,-2.6 -13,-3.0 -2,-0.4 -12,-1.2 -0.685 40.2-177.8 -76.3 130.8 -32.4 3.7 19.4 23 25 A I E -AB 8 32A 0 9,-2.7 9,-2.7 -2,-0.4 2,-0.5 -0.898 24.3-136.6-130.9 161.1 -33.2 0.1 18.6 24 26 A R E -AB 7 31A 110 -17,-2.2 -17,-1.9 -2,-0.3 2,-0.4 -0.972 19.2-133.3-123.1 119.1 -33.3 -3.3 20.3 25 27 A R E > -A 6 0A 56 5,-3.0 4,-2.4 -2,-0.5 3,-0.4 -0.567 14.2-149.0 -72.3 124.5 -31.9 -6.4 18.6 26 28 A K T 4 S+ 0 0 129 -21,-2.6 -1,-0.1 -2,-0.4 -20,-0.1 0.833 86.9 65.3 -68.0 -34.5 -34.5 -9.2 19.0 27 29 A S T 4 S- 0 0 104 -22,-0.5 -1,-0.2 1,-0.2 -21,-0.1 0.885 130.3 -2.3 -57.5 -41.8 -32.1 -12.1 19.2 28 30 A D T 4 S- 0 0 94 -3,-0.4 -2,-0.2 2,-0.1 -1,-0.2 0.360 95.1-110.5-134.7 1.1 -30.4 -11.0 22.5 29 31 A G < + 0 0 34 -4,-2.4 -3,-0.2 1,-0.2 2,-0.1 0.602 56.0 167.1 77.5 11.6 -32.1 -7.7 23.4 30 32 A K - 0 0 79 -5,-0.3 -5,-3.0 -6,-0.1 2,-0.5 -0.386 34.2-129.3 -65.2 132.3 -28.9 -5.7 22.7 31 33 A I E +B 24 0A 55 -7,-0.2 55,-0.6 -2,-0.1 2,-0.2 -0.716 44.2 148.1 -85.0 127.2 -29.5 -2.0 22.6 32 34 A L E -BC 23 85A 1 -9,-2.7 -9,-2.7 -2,-0.5 2,-0.3 -0.731 36.9-122.3-138.3-178.5 -28.0 -0.4 19.5 33 35 A V E -BC 22 84A 9 51,-2.6 51,-2.6 -11,-0.3 2,-0.3 -0.916 15.2-157.8-123.1 161.0 -28.7 2.6 17.2 34 36 A W E -BC 21 83A 11 -13,-2.1 -13,-2.6 -2,-0.3 2,-0.5 -0.986 8.1-144.1-131.1 155.8 -29.4 2.8 13.5 35 37 A K E -BC 20 82A 56 47,-1.7 47,-2.1 -2,-0.3 2,-0.3 -0.961 17.5-132.2-116.8 130.8 -29.0 5.7 11.1 36 38 A E E - C 0 81A 31 -17,-2.5 2,-0.4 -2,-0.5 45,-0.2 -0.636 22.1-178.5 -84.8 133.8 -31.4 6.2 8.2 37 39 A L E - C 0 80A 19 43,-1.9 43,-3.2 -2,-0.3 2,-0.7 -0.990 17.8-148.0-130.3 123.3 -30.1 7.0 4.8 38 40 A D E + C 0 79A 104 -21,-0.5 3,-0.3 -2,-0.4 41,-0.2 -0.829 20.4 172.8 -89.7 115.5 -32.5 7.6 1.9 39 41 A Y > + 0 0 40 39,-2.1 3,-1.6 -2,-0.7 40,-0.1 0.270 46.2 108.8-104.0 11.2 -30.8 6.3 -1.3 40 42 A G T 3 S+ 0 0 43 38,-0.6 -1,-0.2 1,-0.3 38,-0.1 0.734 80.9 43.1 -61.9 -27.9 -33.9 6.8 -3.5 41 43 A S T 3 S+ 0 0 120 -3,-0.3 -1,-0.3 37,-0.1 2,-0.2 0.358 92.8 112.8 -99.6 5.2 -32.4 9.7 -5.4 42 44 A M < - 0 0 38 -3,-1.6 2,-0.1 1,-0.1 -3,-0.1 -0.508 61.7-130.4 -84.9 146.3 -29.0 8.2 -5.9 43 45 A T > - 0 0 78 -2,-0.2 4,-2.4 1,-0.1 5,-0.2 -0.397 33.0-103.2 -80.1 166.6 -27.4 7.1 -9.1 44 46 A E H > S+ 0 0 165 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.891 124.1 53.6 -57.7 -39.8 -25.9 3.6 -9.5 45 47 A A H > S+ 0 0 70 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.879 109.0 48.0 -63.9 -39.1 -22.4 5.3 -9.2 46 48 A E H > S+ 0 0 70 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.900 111.3 49.9 -68.9 -41.0 -23.4 7.0 -6.0 47 49 A K H X S+ 0 0 81 -4,-2.4 4,-2.1 1,-0.2 -2,-0.2 0.863 107.9 54.5 -64.9 -35.5 -24.8 3.7 -4.6 48 50 A Q H X S+ 0 0 125 -4,-2.3 4,-2.1 2,-0.2 -1,-0.2 0.893 107.6 49.6 -64.3 -40.0 -21.5 2.0 -5.5 49 51 A M H X S+ 0 0 86 -4,-1.7 4,-2.3 1,-0.2 -2,-0.2 0.914 108.6 53.7 -62.2 -42.1 -19.6 4.6 -3.6 50 52 A L H X S+ 0 0 12 -4,-2.1 4,-2.5 1,-0.2 -2,-0.2 0.886 107.4 51.0 -59.0 -42.3 -21.9 4.0 -0.7 51 53 A V H X S+ 0 0 73 -4,-2.1 4,-2.1 2,-0.2 -1,-0.2 0.937 111.0 46.9 -60.7 -50.1 -21.2 0.3 -0.8 52 54 A S H X S+ 0 0 47 -4,-2.1 4,-1.3 1,-0.2 -2,-0.2 0.871 114.3 48.7 -61.0 -37.6 -17.4 0.8 -0.8 53 55 A E H X S+ 0 0 40 -4,-2.3 4,-2.1 2,-0.2 -2,-0.2 0.860 108.2 51.7 -74.4 -36.9 -17.7 3.3 2.1 54 56 A V H X S+ 0 0 6 -4,-2.5 4,-2.1 1,-0.2 -2,-0.2 0.908 109.1 52.9 -62.6 -40.8 -19.9 1.1 4.2 55 57 A N H X S+ 0 0 49 -4,-2.1 4,-0.8 1,-0.2 -2,-0.2 0.839 108.2 49.4 -63.9 -34.4 -17.3 -1.7 3.8 56 58 A L H X S+ 0 0 86 -4,-1.3 4,-0.9 2,-0.2 3,-0.4 0.876 108.8 53.3 -71.5 -38.0 -14.6 0.6 5.0 57 59 A L H >< S+ 0 0 29 -4,-2.1 3,-0.8 1,-0.2 11,-0.3 0.901 105.9 54.1 -59.1 -41.9 -16.7 1.6 8.0 58 60 A R H 3< S+ 0 0 109 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.763 101.9 59.6 -65.7 -24.7 -17.0 -2.1 8.8 59 61 A E H 3< S+ 0 0 127 -4,-0.8 2,-1.2 -3,-0.4 -1,-0.2 0.751 82.8 88.8 -78.1 -25.4 -13.2 -2.5 8.7 60 62 A L << + 0 0 22 -4,-0.9 2,-0.6 -3,-0.8 8,-0.4 -0.628 51.1 165.1 -79.2 96.7 -12.6 -0.0 11.5 61 63 A K + 0 0 141 -2,-1.2 5,-0.1 6,-0.1 6,-0.1 -0.937 15.4 133.7-117.2 111.4 -12.7 -2.0 14.8 62 64 A H > - 0 0 30 -2,-0.6 3,-1.8 3,-0.4 59,-0.0 -0.987 61.3-120.9-157.0 142.6 -11.3 -0.2 17.8 63 65 A P T 3 S+ 0 0 36 0, 0.0 4,-0.1 0, 0.0 206,-0.1 0.745 114.9 48.0 -61.9 -20.3 -12.4 0.4 21.3 64 66 A N T 3 S+ 0 0 1 85,-0.1 86,-2.9 53,-0.1 2,-0.4 0.133 98.6 76.9-108.8 18.7 -12.3 4.1 20.7 65 67 A I B < S-e 150 0B 11 -3,-1.8 -3,-0.4 84,-0.3 86,-0.2 -0.998 95.4-102.4-124.8 130.0 -14.2 4.2 17.4 66 68 A V - 0 0 11 84,-2.6 2,-0.2 -2,-0.4 -2,-0.1 -0.319 49.7-116.0 -53.5 127.2 -18.0 3.8 17.4 67 69 A R - 0 0 78 -4,-0.1 18,-2.4 -6,-0.1 2,-0.3 -0.436 16.3-139.0 -78.0 133.7 -18.6 0.2 16.4 68 70 A Y E +D 84 0A 22 -8,-0.4 16,-0.2 -11,-0.3 3,-0.1 -0.730 27.6 166.4 -85.7 139.3 -20.3 -0.8 13.1 69 71 A Y E - 0 0 83 14,-2.9 2,-0.3 1,-0.4 15,-0.2 0.727 50.4 -17.6-117.4 -43.5 -22.7 -3.8 13.5 70 72 A D E -D 83 0A 20 13,-1.4 13,-2.5 2,-0.0 -1,-0.4 -0.969 42.8-135.0-164.2 164.6 -25.0 -4.2 10.5 71 73 A R E -D 82 0A 103 -2,-0.3 2,-0.4 11,-0.2 11,-0.2 -0.998 19.3-166.1-136.7 137.3 -26.6 -2.8 7.4 72 74 A I E -D 81 0A 1 9,-2.5 9,-2.9 -2,-0.4 2,-0.6 -0.987 8.5-152.9-130.1 132.1 -30.3 -3.1 6.4 73 75 A I E -D 80 0A 110 -72,-0.4 2,-0.7 -2,-0.4 -70,-0.3 -0.903 7.0-172.9-102.7 121.8 -32.0 -2.5 3.1 74 76 A D E > > +D 79 0A 48 5,-3.0 5,-1.9 -2,-0.6 3,-1.4 -0.806 10.4 179.1-104.8 83.8 -35.6 -1.5 3.2 75 77 A R G > 5S+ 0 0 70 -2,-0.7 3,-1.0 1,-0.3 -1,-0.2 0.815 73.6 65.7 -57.3 -32.5 -36.1 -1.6 -0.6 76 78 A T G 3 5S+ 0 0 141 1,-0.3 -1,-0.3 -3,-0.1 -2,-0.0 0.803 118.0 24.1 -62.1 -31.5 -39.8 -0.7 -0.3 77 79 A N G < 5S- 0 0 49 -3,-1.4 -1,-0.3 2,-0.1 -37,-0.2 0.135 106.2-121.1-118.1 17.6 -38.8 2.7 1.1 78 80 A T T < 5 + 0 0 48 -3,-1.0 -39,-2.1 -4,-0.3 -38,-0.6 0.872 63.6 148.1 39.8 48.7 -35.4 2.9 -0.5 79 81 A T E < -CD 38 74A 18 -5,-1.9 -5,-3.0 -41,-0.2 2,-0.5 -0.946 37.8-158.6-115.2 131.4 -33.9 3.3 3.0 80 82 A L E -CD 37 73A 17 -43,-3.2 -43,-1.9 -2,-0.5 2,-0.5 -0.931 10.1-159.5-103.6 126.4 -30.5 2.0 4.1 81 83 A Y E -CD 36 72A 26 -9,-2.9 -9,-2.5 -2,-0.5 2,-0.6 -0.938 1.9-159.0-107.5 124.2 -30.2 1.5 7.9 82 84 A I E -CD 35 71A 5 -47,-2.1 -47,-1.7 -2,-0.5 2,-0.4 -0.904 12.4-149.4-102.8 115.9 -26.7 1.4 9.3 83 85 A V E +CD 34 70A 0 -13,-2.5 -14,-2.9 -2,-0.6 -13,-1.4 -0.718 26.6 165.2 -89.5 128.5 -26.6 -0.3 12.7 84 86 A M E -CD 33 68A 2 -51,-2.6 -51,-2.6 -2,-0.4 -16,-0.2 -0.882 41.7 -70.5-139.0 169.4 -24.0 0.9 15.2 85 87 A E E -C 32 0A 29 -18,-2.4 2,-0.5 -2,-0.3 -53,-0.2 -0.293 47.7-126.6 -56.2 137.4 -23.0 0.9 18.8 86 88 A Y - 0 0 63 -55,-0.6 2,-0.7 -63,-0.1 -1,-0.1 -0.797 16.1-156.8 -90.2 130.5 -25.2 2.9 21.2 87 89 A C > - 0 0 13 -2,-0.5 3,-2.0 1,-0.1 55,-0.3 -0.866 4.5-168.2-111.4 98.6 -23.3 5.5 23.3 88 90 A E T 3 S+ 0 0 133 -2,-0.7 55,-0.2 1,-0.3 -1,-0.1 0.682 81.8 62.1 -64.1 -22.2 -25.4 6.3 26.3 89 91 A G T 3 S- 0 0 38 53,-2.2 -1,-0.3 1,-0.2 54,-0.2 0.527 97.2-147.5 -80.9 -6.6 -23.3 9.3 27.4 90 92 A G E < -F 142 0B 28 -3,-2.0 52,-2.1 52,-0.6 -1,-0.2 -0.214 34.5 -31.6 71.3-161.2 -24.2 11.1 24.2 91 93 A D E > -F 141 0B 32 50,-0.2 4,-1.2 1,-0.1 50,-0.2 -0.480 46.7-120.7 -98.0 162.9 -21.9 13.6 22.4 92 94 A L H > S+ 0 0 0 48,-2.1 4,-2.4 45,-1.4 46,-0.2 0.739 107.6 65.3 -74.5 -24.4 -19.3 16.0 23.6 93 95 A A H > S+ 0 0 30 44,-0.7 4,-2.4 47,-0.2 -1,-0.2 0.923 104.3 47.7 -62.3 -41.0 -21.0 19.1 22.2 94 96 A S H > S+ 0 0 69 2,-0.2 4,-2.4 -3,-0.2 -1,-0.2 0.872 109.2 53.8 -64.6 -37.1 -23.8 18.4 24.6 95 97 A V H X S+ 0 0 29 -4,-1.2 4,-2.1 2,-0.2 -2,-0.2 0.909 110.0 47.3 -63.1 -42.2 -21.3 18.0 27.4 96 98 A I H X S+ 0 0 8 -4,-2.4 4,-2.1 2,-0.2 -2,-0.2 0.919 111.6 49.9 -65.6 -44.9 -19.8 21.4 26.6 97 99 A T H X S+ 0 0 94 -4,-2.4 4,-2.7 1,-0.2 5,-0.2 0.895 109.7 52.1 -59.3 -42.8 -23.2 23.1 26.5 98 100 A K H X S+ 0 0 115 -4,-2.4 4,-2.8 1,-0.2 6,-0.2 0.912 107.9 51.4 -60.5 -44.7 -24.1 21.5 29.8 99 101 A G H <>S+ 0 0 4 -4,-2.1 5,-2.3 1,-0.2 -1,-0.2 0.896 111.9 47.6 -59.1 -42.0 -20.9 22.9 31.3 100 102 A T H ><5S+ 0 0 80 -4,-2.1 3,-0.7 3,-0.2 -2,-0.2 0.938 115.5 42.7 -65.5 -48.9 -21.7 26.3 30.0 101 103 A K H 3<5S+ 0 0 100 -4,-2.7 -2,-0.2 1,-0.2 -3,-0.2 0.927 118.6 43.1 -65.9 -45.8 -25.3 26.4 31.2 102 104 A E T 3<5S- 0 0 114 -4,-2.8 -1,-0.2 -5,-0.2 -2,-0.2 0.392 107.4-128.3 -83.0 5.1 -24.6 24.8 34.7 103 105 A R T < 5 + 0 0 141 -3,-0.7 2,-0.4 -4,-0.2 -3,-0.2 0.875 64.3 132.7 49.6 46.2 -21.5 27.1 34.9 104 106 A Q < - 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0 0 17 0, 0.0 3,-0.1 0, 0.0 -9,-0.1 -0.331 33.9-113.6 -71.7 160.4 -12.9 27.2 20.9 206 215 A P S S+ 0 0 13 0, 0.0 2,-0.5 0, 0.0 19,-0.3 0.797 105.2 39.8 -66.7 -29.5 -9.5 28.8 20.8 207 216 A F S S- 0 0 1 -35,-0.2 2,-0.3 17,-0.1 17,-0.1 -0.976 73.7-178.5-124.4 116.0 -10.3 30.9 17.8 208 217 A T + 0 0 59 -2,-0.5 2,-0.3 -3,-0.1 10,-0.1 -0.841 10.3 151.1-113.5 152.9 -13.8 32.6 17.6 209 218 A A - 0 0 8 -2,-0.3 3,-0.1 1,-0.1 -37,-0.0 -0.977 45.9-132.8-169.3 163.1 -15.2 34.7 14.9 210 219 A F S S+ 0 0 204 -2,-0.3 2,-0.3 1,-0.1 -1,-0.1 0.511 93.7 34.7-101.0 -9.5 -18.5 35.8 13.2 211 220 A S S > S- 0 0 53 1,-0.1 4,-2.2 -41,-0.0 5,-0.1 -0.950 79.5-118.1-141.4 160.8 -17.1 35.3 9.7 212 221 A Q H > S+ 0 0 97 -2,-0.3 4,-2.9 2,-0.2 5,-0.2 0.895 113.9 54.1 -64.0 -43.1 -14.7 33.0 7.9 213 222 A K H > S+ 0 0 178 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.930 110.9 45.8 -58.4 -47.7 -12.4 35.9 7.0 214 223 A E H > S+ 0 0 74 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.914 113.1 50.5 -61.9 -45.1 -12.1 36.9 10.6 215 224 A L H X S+ 0 0 0 -4,-2.2 4,-2.7 1,-0.2 -2,-0.2 0.932 108.5 50.8 -58.9 -49.0 -11.6 33.3 11.7 216 225 A A H X S+ 0 0 10 -4,-2.9 4,-2.6 1,-0.2 -1,-0.2 0.884 107.5 54.9 -59.0 -39.1 -8.8 32.7 9.2 217 226 A G H X S+ 0 0 32 -4,-1.9 4,-1.2 -5,-0.2 -1,-0.2 0.914 111.2 44.1 -58.8 -44.0 -7.0 35.8 10.4 218 227 A K H X>S+ 0 0 81 -4,-1.8 4,-1.4 2,-0.2 5,-0.6 0.906 112.1 51.7 -69.1 -43.5 -7.1 34.6 14.0 219 228 A I H <5S+ 0 0 0 -4,-2.7 3,-0.4 1,-0.2 -2,-0.2 0.925 108.5 51.7 -59.3 -45.9 -6.0 31.1 13.1 220 229 A R H <5S+ 0 0 146 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.806 107.3 52.9 -63.0 -30.8 -3.0 32.4 11.1 221 230 A E H <5S- 0 0 114 -4,-1.2 -1,-0.2 -5,-0.2 -2,-0.2 0.787 94.6-150.7 -75.3 -28.5 -1.9 34.5 14.0 222 231 A G T <5 + 0 0 17 -4,-1.4 2,-0.3 -3,-0.4 -3,-0.1 0.665 45.5 134.2 70.9 18.4 -2.0 31.4 16.3 223 232 A K < + 0 0 146 -5,-0.6 2,-0.3 -17,-0.0 -1,-0.2 -0.786 20.7 153.6-104.3 147.1 -2.8 33.3 19.5 224 233 A F - 0 0 53 -2,-0.3 -17,-0.1 -17,-0.1 2,-0.1 -0.974 45.2 -85.3-162.0 160.4 -5.4 32.3 22.1 225 234 A R - 0 0 195 -19,-0.3 2,-0.1 -2,-0.3 -23,-0.1 -0.391 51.2-100.9 -69.3 151.2 -6.2 32.7 25.7 226 235 A R - 0 0 60 1,-0.1 3,-0.1 -2,-0.1 -1,-0.1 -0.462 44.7-101.9 -62.1 145.6 -4.7 30.2 28.2 227 236 A I - 0 0 0 1,-0.2 -1,-0.1 -2,-0.1 -25,-0.1 -0.276 64.5 -63.8 -57.8 159.3 -7.2 27.5 29.2 228 237 A P > - 0 0 22 0, 0.0 3,-2.2 0, 0.0 -1,-0.2 -0.087 46.2-116.9 -53.3 149.1 -8.6 28.2 32.7 229 238 A Y T 3 S+ 0 0 194 1,-0.3 4,-0.1 -3,-0.1 -2,-0.1 0.628 107.4 76.8 -67.1 -15.0 -6.2 28.2 35.6 230 239 A R T 3 S+ 0 0 121 2,-0.1 2,-0.3 -122,-0.0 -1,-0.3 0.739 85.3 81.7 -63.7 -21.4 -7.9 25.2 37.3 231 240 A Y S < S- 0 0 2 -3,-2.2 -124,-0.0 1,-0.1 5,-0.0 -0.691 92.3-104.1 -90.9 140.0 -6.1 23.2 34.6 232 241 A S > - 0 0 29 -2,-0.3 4,-2.7 1,-0.1 5,-0.2 -0.096 18.2-121.1 -60.8 153.1 -2.5 22.2 35.1 233 242 A D H > S+ 0 0 112 1,-0.2 4,-2.4 2,-0.2 5,-0.1 0.832 115.4 58.6 -58.8 -33.3 0.4 23.8 33.4 234 243 A E H > S+ 0 0 107 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.922 108.1 43.2 -65.7 -43.1 1.2 20.3 32.0 235 244 A L H > S+ 0 0 0 2,-0.2 4,-2.3 1,-0.2 5,-0.3 0.926 114.2 50.7 -67.7 -44.0 -2.2 20.0 30.3 236 245 A N H X S+ 0 0 29 -4,-2.7 4,-2.5 1,-0.2 -2,-0.2 0.909 108.3 54.9 -58.4 -39.7 -2.0 23.6 29.0 237 246 A E H X S+ 0 0 120 -4,-2.4 4,-2.2 2,-0.2 -1,-0.2 0.931 109.7 43.8 -59.1 -49.0 1.5 22.9 27.6 238 247 A I H X S+ 0 0 9 -4,-1.8 4,-2.0 2,-0.2 -1,-0.2 0.922 114.0 48.9 -70.5 -41.5 0.4 19.9 25.6 239 248 A I H X S+ 0 0 0 -4,-2.3 4,-1.1 1,-0.2 -1,-0.2 0.935 111.5 51.2 -59.8 -44.3 -2.8 21.5 24.2 240 249 A T H >< S+ 0 0 48 -4,-2.5 3,-0.6 -5,-0.3 -2,-0.2 0.900 107.2 53.4 -60.7 -39.7 -0.7 24.6 23.3 241 250 A R H >< S+ 0 0 112 -4,-2.2 3,-1.5 1,-0.2 -1,-0.2 0.875 105.0 54.4 -62.0 -39.2 1.8 22.3 21.5 242 251 A M H 3< S+ 0 0 0 -4,-2.0 -1,-0.2 1,-0.3 -48,-0.2 0.765 105.8 54.7 -65.1 -24.3 -1.0 20.8 19.4 243 252 A L T << S+ 0 0 3 -4,-1.1 -1,-0.3 -3,-0.6 -2,-0.2 0.092 77.9 135.1 -97.8 22.1 -2.0 24.4 18.4 244 253 A N < - 0 0 39 -3,-1.5 6,-0.1 1,-0.1 -22,-0.1 -0.460 60.5-132.0 -67.9 141.2 1.4 25.3 17.1 245 254 A L S S+ 0 0 72 -2,-0.1 2,-0.6 -24,-0.1 -1,-0.1 0.819 93.3 71.5 -63.0 -31.5 1.3 27.0 13.7 246 255 A K S >> S- 0 0 107 1,-0.2 3,-1.7 -70,-0.1 4,-0.8 -0.786 74.6-150.1 -89.6 121.2 4.0 24.6 12.4 247 256 A D G >4 S+ 0 0 46 -2,-0.6 3,-1.0 1,-0.3 -1,-0.2 0.884 97.1 59.0 -56.5 -36.6 2.7 21.1 11.8 248 257 A Y G 34 S+ 0 0 143 1,-0.3 -1,-0.3 -3,-0.1 4,-0.1 0.606 101.1 54.7 -74.1 -9.5 6.2 19.8 12.6 249 258 A H G <4 S+ 0 0 82 -3,-1.7 -1,-0.3 2,-0.1 -2,-0.2 0.620 88.0 94.8 -92.6 -16.7 6.2 21.3 16.0 250 259 A R S << S- 0 0 0 -3,-1.0 -8,-0.2 -4,-0.8 2,-0.1 -0.485 88.0-102.7 -71.1 146.3 2.9 19.6 17.0 251 260 A P - 0 0 15 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 -0.411 30.7-125.5 -71.2 144.7 3.3 16.4 18.9 252 261 A S > - 0 0 27 -4,-0.1 4,-2.5 -2,-0.1 5,-0.2 -0.295 33.0 -99.3 -71.6 169.0 2.8 13.1 17.0 253 262 A V H > S+ 0 0 8 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.927 128.0 50.9 -53.0 -45.2 0.4 10.5 18.4 254 263 A E H > S+ 0 0 106 1,-0.2 4,-1.3 2,-0.2 -1,-0.2 0.925 109.6 48.9 -61.5 -45.0 3.4 8.7 19.9 255 264 A E H 4 S+ 0 0 105 1,-0.2 4,-0.3 2,-0.2 -1,-0.2 0.859 110.1 52.0 -65.1 -36.5 4.7 11.9 21.5 256 265 A I H >< S+ 0 0 0 -4,-2.5 3,-1.9 1,-0.2 6,-0.2 0.960 108.9 49.4 -61.1 -49.2 1.2 12.6 23.0 257 266 A L H 3< S+ 0 0 43 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.719 103.6 61.0 -69.1 -19.5 0.9 9.2 24.5 258 267 A E T 3< S+ 0 0 149 -4,-1.3 -1,-0.3 -5,-0.2 -2,-0.2 0.547 77.4 120.3 -79.3 -7.9 4.4 9.4 26.1 259 268 A N S X S- 0 0 29 -3,-1.9 3,-2.1 -4,-0.3 -3,-0.0 -0.346 71.3-130.2 -63.8 133.0 3.2 12.4 28.1 260 269 A P T 3 S+ 0 0 116 0, 0.0 -1,-0.2 0, 0.0 -3,-0.0 0.719 103.5 69.4 -57.9 -20.6 3.5 11.8 31.9 261 270 A L T 3 S+ 0 0 30 -27,-0.1 2,-0.6 2,-0.0 -2,-0.1 0.783 83.4 84.9 -60.4 -31.4 -0.1 13.1 32.3 262 271 A I < + 0 0 17 -3,-2.1 2,-0.2 -6,-0.2 -149,-0.0 -0.677 57.8 168.7 -91.2 120.2 -1.4 10.0 30.5 263 272 A L > - 0 0 92 -2,-0.6 3,-1.6 1,-0.0 4,-0.4 -0.724 49.0 -94.6-124.4 169.9 -2.0 6.9 32.7 264 273 A E G > S+ 0 0 127 1,-0.3 3,-2.3 -2,-0.2 -1,-0.0 0.895 119.1 59.1 -52.1 -45.5 -3.6 3.5 32.4 265 274 A H G 3 S+ 0 0 67 1,-0.3 -1,-0.3 4,-0.0 -3,-0.0 0.689 95.8 63.4 -63.8 -16.1 -6.9 4.6 33.9 266 275 A H G < S+ 0 0 1 -3,-1.6 -149,-0.4 2,-0.1 -1,-0.3 0.597 93.3 81.7 -80.7 -11.0 -7.3 7.3 31.2 267 276 A H S < S- 0 0 51 -3,-2.3 -150,-0.1 -4,-0.4 -153,-0.0 -0.262 97.0 -71.3 -85.0 176.1 -7.6 4.5 28.6 268 277 A H - 0 0 70 -2,-0.1 2,-0.3 -120,-0.1 -1,-0.2 -0.310 40.2-173.4 -69.3 151.2 -10.7 2.5 27.8 269 278 A H 0 0 77 -124,-0.3 -122,-0.1 -206,-0.1 -4,-0.0 -0.924 360.0 360.0-142.6 117.7 -12.2 -0.1 30.2 270 279 A H 0 0 126 -2,-0.3 -1,-0.1 -124,-0.1 -124,-0.0 0.506 360.0 360.0-106.5 360.0 -15.0 -2.2 28.9