==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=22-APR-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 19-JAN-12 4AFE . COMPND 2 MOLECULE: SERINE/THREONINE-PROTEIN KINASE NEK2; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR S.YEOH,P.INNOCENTI,S.HOELDER,R.BAYLISS . 253 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14172.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 161 63.6 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 . 39 15.4 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 . 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 . 9 3.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 28 11.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 78 30.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), 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 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 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 . 1 0 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 84 0, 0.0 72,-0.3 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 55.0 -2.5 9.7 20.0 2 4 A R > - 0 0 126 70,-0.1 3,-2.1 72,-0.0 4,-0.3 -0.907 360.0-110.5-127.2 161.8 -5.9 8.0 20.5 3 5 A A G > S+ 0 0 28 -2,-0.3 3,-1.0 1,-0.3 71,-0.0 0.657 113.5 69.4 -60.8 -18.9 -7.7 5.1 18.8 4 6 A E G 3 S+ 0 0 134 1,-0.3 -1,-0.3 3,-0.1 22,-0.0 0.625 86.0 67.8 -78.5 -12.7 -10.1 7.5 17.2 5 7 A D G < S+ 0 0 53 -3,-2.1 21,-3.1 21,-0.1 22,-0.4 0.661 102.9 54.6 -76.8 -15.9 -7.2 8.7 15.1 6 8 A Y E < -A 25 0A 23 -3,-1.0 2,-0.5 -4,-0.3 19,-0.2 -0.869 68.8-146.1-122.2 153.7 -7.3 5.3 13.3 7 9 A E E -A 24 0A 102 17,-2.7 17,-2.2 -2,-0.3 2,-0.3 -0.963 20.6-128.6-117.8 126.9 -9.8 3.1 11.6 8 10 A V E -A 23 0A 59 -2,-0.5 15,-0.2 15,-0.2 3,-0.1 -0.528 22.5-179.7 -69.7 127.2 -9.8 -0.7 11.7 9 11 A L E - 0 0 67 13,-3.2 2,-0.3 1,-0.4 -1,-0.2 0.849 61.5 -52.3 -89.2 -48.5 -9.9 -2.3 8.2 10 12 A Y E -A 22 0A 117 12,-1.2 12,-2.7 0, 0.0 -1,-0.4 -0.956 58.3 -78.6 179.5 170.1 -9.8 -5.9 9.5 11 13 A T E -A 21 0A 51 -2,-0.3 10,-0.3 10,-0.3 3,-0.1 -0.652 27.9-179.7 -89.5 133.5 -8.1 -8.4 11.6 12 14 A I E + 0 0 89 8,-3.9 2,-0.3 -2,-0.4 9,-0.2 0.837 69.7 1.2 -95.9 -46.9 -4.9 -10.1 10.4 13 15 A G E -A 20 0A 20 7,-1.8 7,-3.5 0, 0.0 2,-0.4 -0.982 60.3-145.1-145.1 156.7 -4.2 -12.4 13.4 14 16 A T E -A 19 0A 101 -2,-0.3 5,-0.3 5,-0.2 3,-0.1 -0.978 29.6-118.3-130.8 135.5 -5.6 -13.4 16.7 15 17 A G - 0 0 29 3,-3.7 2,-0.1 -2,-0.4 5,-0.0 -0.103 60.4-178.3 -83.5-175.1 -4.0 -14.3 20.0 16 18 A S S S+ 0 0 136 3,-0.0 -1,-0.3 -2,-0.0 3,-0.0 0.387 123.2 44.2 60.5-127.3 -3.0 -15.6 22.5 17 19 A Y S S- 0 0 104 -3,-0.1 21,-0.5 -2,-0.1 2,-0.2 0.832 125.2 -97.3 -34.5 -50.0 -1.5 -12.1 22.8 18 20 A G - 0 0 24 19,-0.1 -3,-3.7 2,-0.0 2,-0.3 -0.694 65.9 -33.0 159.8-106.0 -4.7 -10.5 21.8 19 21 A R E -AB 14 36A 84 17,-1.4 17,-4.3 -5,-0.3 2,-0.5 -0.998 35.5-150.3-156.5 145.3 -5.4 -9.3 18.2 20 22 A C E +AB 13 35A 28 -7,-3.5 -8,-3.9 -2,-0.3 -7,-1.8 -0.961 25.2 177.9-123.6 118.4 -3.5 -7.9 15.2 21 23 A Q E -AB 11 34A 8 13,-2.2 13,-2.1 -2,-0.5 2,-0.3 -0.937 31.4-122.5-128.9 143.7 -5.4 -5.6 12.8 22 24 A K E -AB 10 33A 36 -12,-2.7 -13,-3.2 -2,-0.4 -12,-1.2 -0.634 42.2-174.9 -77.5 133.5 -4.8 -3.6 9.7 23 25 A I E -AB 8 32A 0 9,-3.2 9,-3.0 -2,-0.3 2,-0.5 -0.896 23.8-137.6-135.1 161.9 -5.6 0.0 10.3 24 26 A R E -AB 7 31A 111 -17,-2.2 -17,-2.7 -2,-0.3 2,-0.4 -0.981 19.1-132.7-124.5 123.4 -5.8 3.3 8.6 25 27 A R E > -A 6 0A 54 5,-2.5 4,-2.3 -2,-0.5 5,-0.3 -0.611 16.0-149.5 -70.4 129.1 -4.6 6.6 10.0 26 28 A K T 4 S+ 0 0 131 -21,-3.1 -1,-0.1 -2,-0.4 -20,-0.1 0.824 87.5 65.0 -74.6 -34.9 -7.4 9.1 9.5 27 29 A S T 4 S- 0 0 104 -22,-0.4 -1,-0.2 1,-0.2 -21,-0.1 0.865 131.1 -4.4 -53.8 -41.3 -5.2 12.2 9.1 28 30 A D T 4 S- 0 0 96 -3,-0.3 -2,-0.2 2,-0.1 -1,-0.2 0.448 94.2-109.2-137.1 -9.7 -3.5 11.0 5.9 29 31 A G < + 0 0 32 -4,-2.3 2,-0.2 1,-0.2 -3,-0.2 0.749 54.2 167.7 81.6 23.5 -4.8 7.5 5.1 30 32 A K - 0 0 91 -5,-0.3 -5,-2.5 1,-0.1 2,-0.5 -0.523 35.2-125.6 -72.3 136.0 -1.5 5.7 5.9 31 33 A I E +B 24 0A 55 -2,-0.2 55,-0.7 -7,-0.2 2,-0.2 -0.712 45.3 151.3 -84.7 124.2 -1.9 1.9 6.2 32 34 A L E -BC 23 85A 0 -9,-3.0 -9,-3.2 -2,-0.5 2,-0.3 -0.754 33.8-133.2-134.5 179.2 -0.5 0.6 9.5 33 35 A V E -BC 22 84A 9 51,-2.1 51,-2.9 -11,-0.3 2,-0.3 -0.946 15.0-159.5-130.4 158.8 -1.2 -2.3 11.7 34 36 A W E -BC 21 83A 8 -13,-2.1 -13,-2.2 -2,-0.3 2,-0.5 -0.986 14.7-133.4-133.1 152.9 -1.7 -2.4 15.5 35 37 A K E -BC 20 82A 46 47,-2.2 47,-1.9 -2,-0.3 2,-0.5 -0.927 22.3-142.8-101.6 123.4 -1.4 -5.2 18.1 36 38 A E E +BC 19 81A 36 -17,-4.3 -17,-1.4 -2,-0.5 2,-0.4 -0.744 20.7 179.6 -84.0 125.1 -4.3 -5.3 20.6 37 39 A L E - C 0 80A 18 43,-2.5 43,-4.3 -2,-0.5 2,-0.8 -0.994 18.4-152.5-128.7 132.6 -3.5 -6.2 24.2 38 40 A D E + C 0 79A 98 -21,-0.5 3,-0.5 -2,-0.4 41,-0.2 -0.875 16.5 174.3-100.7 105.4 -6.0 -6.4 27.1 39 41 A Y > + 0 0 29 39,-1.2 3,-2.1 -2,-0.8 40,-0.1 0.362 49.5 107.5 -90.8 4.6 -4.2 -5.7 30.3 40 42 A G T 3 S+ 0 0 48 38,-0.9 -1,-0.2 1,-0.3 39,-0.1 0.777 82.0 45.5 -53.6 -28.1 -7.4 -5.8 32.4 41 43 A S T 3 S+ 0 0 118 -3,-0.5 2,-0.3 37,-0.1 -1,-0.3 0.120 92.2 105.0-107.7 22.7 -6.3 -9.1 33.9 42 44 A M < - 0 0 64 -3,-2.1 -3,-0.0 1,-0.1 0, 0.0 -0.791 66.9-121.7-104.1 146.3 -2.7 -8.3 34.8 43 45 A T > - 0 0 79 -2,-0.3 4,-1.5 1,-0.1 5,-0.1 -0.155 37.7-101.9 -67.6 174.4 -1.1 -7.5 38.1 44 46 A E H > S+ 0 0 163 2,-0.2 4,-1.7 1,-0.2 5,-0.1 0.827 122.4 58.3 -71.9 -28.1 0.7 -4.2 38.6 45 47 A A H >> S+ 0 0 69 2,-0.2 4,-2.9 1,-0.2 3,-0.8 0.985 105.8 45.3 -61.2 -62.4 4.0 -6.1 38.1 46 48 A E H 3> S+ 0 0 90 1,-0.3 4,-2.3 2,-0.2 -1,-0.2 0.817 113.4 53.0 -50.3 -34.9 3.2 -7.5 34.7 47 49 A K H 3X S+ 0 0 83 -4,-1.5 4,-1.5 2,-0.2 -1,-0.3 0.816 109.5 47.0 -73.0 -31.8 1.9 -4.0 33.8 48 50 A Q H X S+ 0 0 72 -4,-2.4 4,-1.3 1,-0.2 3,-0.8 0.903 110.7 55.4 -61.6 -42.2 9.1 -3.6 27.1 54 56 A V H 3X S+ 0 0 8 -4,-2.0 4,-1.0 1,-0.3 -1,-0.2 0.847 102.1 56.3 -63.1 -33.7 7.1 -0.9 25.3 55 57 A N H 3< S+ 0 0 75 -4,-1.2 -1,-0.3 1,-0.2 -2,-0.2 0.785 103.0 57.4 -68.9 -24.7 9.8 1.6 26.1 56 58 A L H XX S+ 0 0 84 -4,-0.9 3,-1.5 -3,-0.8 4,-1.2 0.877 101.7 52.4 -70.1 -42.4 12.3 -0.6 24.4 57 59 A L H 3< S+ 0 0 23 -4,-1.3 11,-0.4 1,-0.3 -1,-0.2 0.754 101.2 62.4 -68.0 -23.2 10.4 -0.7 21.0 58 60 A R T 3< S+ 0 0 121 -4,-1.0 -1,-0.3 1,-0.1 -2,-0.2 0.596 101.7 55.6 -75.3 -9.8 10.4 3.1 21.1 59 61 A E T <4 S+ 0 0 157 -3,-1.5 2,-0.4 -4,-0.1 -2,-0.2 0.936 87.5 78.5 -87.7 -55.8 14.2 3.0 21.0 60 62 A L < + 0 0 29 -4,-1.2 8,-0.4 68,-0.0 2,-0.4 -0.422 45.3 168.2 -66.4 115.6 15.0 1.0 17.9 61 63 A K + 0 0 64 -2,-0.4 5,-0.1 6,-0.1 6,-0.0 -0.996 21.0 138.5-119.3 123.6 14.8 2.7 14.5 62 64 A H > - 0 0 39 -2,-0.4 3,-2.0 3,-0.4 59,-0.0 -0.933 58.6-120.3-163.8 139.7 16.4 0.6 11.8 63 65 A P T 3 S+ 0 0 43 0, 0.0 192,-0.1 0, 0.0 4,-0.1 0.569 113.4 43.9 -66.3 -5.0 15.4 -0.2 8.2 64 66 A N T 3 S+ 0 0 2 56,-0.1 85,-2.4 84,-0.1 2,-0.5 0.203 97.0 83.5-125.6 11.6 15.3 -3.9 8.9 65 67 A I B < S-e 149 0B 2 -3,-2.0 -3,-0.4 83,-0.3 85,-0.2 -0.972 95.8-100.2-111.5 130.9 13.5 -3.9 12.2 66 68 A V - 0 0 18 83,-2.8 2,-0.4 -2,-0.5 -2,-0.1 -0.326 49.4-120.0 -49.8 115.3 9.7 -3.7 12.1 67 69 A R - 0 0 100 -2,-0.2 18,-1.5 -4,-0.1 2,-0.2 -0.474 18.2-145.6 -74.2 116.6 9.1 0.0 12.8 68 70 A Y E +D 84 0A 20 -8,-0.4 16,-0.2 -2,-0.4 3,-0.1 -0.492 20.3 174.4 -68.8 143.8 7.1 1.1 15.9 69 71 A Y E - 0 0 79 14,-3.2 2,-0.3 1,-0.4 15,-0.2 0.718 53.0 -20.0-116.8 -38.2 5.0 4.2 15.5 70 72 A D E -D 83 0A 33 13,-1.2 13,-2.4 2,-0.0 -1,-0.4 -0.982 44.2-131.1-169.8 156.4 2.9 4.7 18.6 71 73 A R E -D 82 0A 63 -2,-0.3 2,-0.5 11,-0.2 11,-0.2 -0.998 22.5-163.8-127.5 136.7 1.4 3.3 21.7 72 74 A I E -D 81 0A 2 9,-2.9 9,-3.4 -2,-0.4 2,-0.5 -0.981 3.4-159.0-126.2 127.7 -2.3 3.9 22.6 73 75 A I E -D 80 0A 74 -2,-0.5 2,-0.4 -72,-0.3 7,-0.2 -0.905 9.0-178.1-104.2 128.2 -3.9 3.4 25.9 74 76 A D E >> +D 79 0A 50 5,-2.1 5,-2.3 -2,-0.5 4,-0.9 -0.852 3.0 178.2-119.9 93.5 -7.7 2.9 26.3 75 77 A R T 45S+ 0 0 201 -2,-0.4 -1,-0.1 3,-0.2 5,-0.1 0.690 76.9 71.0 -67.6 -18.5 -8.4 2.6 30.1 76 78 A T T 45S+ 0 0 132 1,-0.2 -1,-0.2 3,-0.1 -2,-0.0 0.975 117.4 17.6 -55.4 -61.0 -12.1 2.3 29.1 77 79 A N T 45S- 0 0 49 -3,-0.3 -37,-0.2 2,-0.1 -2,-0.2 0.387 106.5-121.4 -91.2 1.8 -11.7 -1.2 27.7 78 80 A T T <5 + 0 0 43 -4,-0.9 -39,-1.2 1,-0.2 -38,-0.9 0.945 64.3 148.5 50.6 52.7 -8.3 -1.7 29.5 79 81 A T E < -CD 38 74A 14 -5,-2.3 -5,-2.1 -41,-0.2 2,-0.5 -0.959 39.3-152.5-125.6 131.6 -6.8 -2.2 26.1 80 82 A L E -CD 37 73A 7 -43,-4.3 -43,-2.5 -2,-0.4 2,-0.5 -0.888 9.2-160.4-104.9 129.3 -3.2 -1.4 24.9 81 83 A Y E -CD 36 72A 28 -9,-3.4 -9,-2.9 -2,-0.5 2,-0.6 -0.923 5.8-168.6-110.5 125.4 -2.5 -0.6 21.2 82 84 A I E -CD 35 71A 15 -47,-1.9 -47,-2.2 -2,-0.5 2,-0.5 -0.953 14.7-153.9-111.0 117.2 0.9 -0.8 19.7 83 85 A V E +CD 34 70A 0 -13,-2.4 -14,-3.2 -2,-0.6 -13,-1.2 -0.772 23.1 161.1 -95.9 129.8 1.0 0.7 16.2 84 86 A M E -CD 33 68A 29 -51,-2.9 -51,-2.1 -2,-0.5 -16,-0.2 -0.775 41.7 -72.6-135.1 179.3 3.6 -0.5 13.7 85 87 A E E -C 32 0A 25 -18,-1.5 2,-0.4 -2,-0.2 -53,-0.2 -0.415 48.6-109.5 -73.4 150.3 4.3 -0.5 10.0 86 88 A Y - 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0 0 19 0, 0.0 3,-0.1 0, 0.0 -9,-0.1 -0.202 35.5-118.5 -69.1 163.6 15.0 -27.4 9.2 192 215 A P S S+ 0 0 13 0, 0.0 2,-0.4 0, 0.0 19,-0.3 0.846 102.6 35.9 -71.2 -30.0 18.6 -28.7 9.1 193 216 A F S S+ 0 0 3 -33,-0.2 2,-0.3 17,-0.1 8,-0.1 -0.979 72.7 178.9-124.3 132.2 17.9 -31.0 12.1 194 217 A T + 0 0 64 -2,-0.4 2,-0.3 6,-0.1 10,-0.0 -0.975 10.6 145.0-133.9 149.5 14.6 -32.7 12.7 195 218 A A - 0 0 9 -2,-0.3 -37,-0.1 1,-0.1 3,-0.1 -0.958 47.7-121.1-167.8 173.1 13.4 -35.1 15.4 196 219 A F S S+ 0 0 195 -2,-0.3 2,-0.3 1,-0.1 -1,-0.1 0.774 96.6 39.2 -99.8 -34.6 10.3 -36.0 17.4 197 220 A S S > S- 0 0 61 1,-0.1 4,-2.3 -39,-0.0 -1,-0.1 -0.848 80.1-124.3-112.1 154.1 11.8 -35.4 20.9 198 221 A Q H > S+ 0 0 103 -2,-0.3 4,-2.7 1,-0.2 5,-0.2 0.831 113.3 56.7 -60.2 -33.8 14.1 -32.6 22.0 199 222 A K H > S+ 0 0 174 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.917 107.6 46.9 -66.9 -42.3 16.5 -35.2 23.3 200 223 A E H > S+ 0 0 73 2,-0.2 4,-1.8 1,-0.2 -2,-0.2 0.930 111.2 53.9 -60.7 -44.9 16.7 -36.8 19.8 201 224 A L H X S+ 0 0 0 -4,-2.3 4,-2.6 1,-0.2 3,-0.3 0.920 107.0 49.4 -54.0 -49.1 17.1 -33.3 18.4 202 225 A A H X S+ 0 0 10 -4,-2.7 4,-1.9 1,-0.2 -1,-0.2 0.870 106.0 58.5 -63.4 -34.8 20.1 -32.6 20.7 203 226 A G H X S+ 0 0 37 -4,-1.9 4,-0.9 1,-0.2 -1,-0.2 0.890 111.1 41.4 -58.5 -40.9 21.5 -35.9 19.5 204 227 A K H X S+ 0 0 83 -4,-1.8 4,-1.7 -3,-0.3 5,-0.5 0.923 110.2 54.5 -75.2 -46.3 21.5 -34.7 15.9 205 228 A I H < S+ 0 0 0 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.843 108.2 51.9 -56.1 -35.1 22.7 -31.1 16.5 206 229 A R H < S+ 0 0 137 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.2 0.794 104.8 54.1 -75.9 -28.9 25.8 -32.5 18.4 207 230 A E H < S- 0 0 119 -4,-0.9 -1,-0.2 -3,-0.4 -2,-0.2 0.843 96.2-151.9 -70.5 -30.6 26.6 -34.8 15.5 208 231 A G < + 0 0 17 -4,-1.7 2,-0.3 1,-0.2 -3,-0.1 0.532 45.4 131.6 76.2 7.5 26.5 -31.7 13.3 209 232 A K + 0 0 138 -5,-0.5 2,-0.3 0, 0.0 -1,-0.2 -0.744 20.3 148.8 -97.3 143.9 25.6 -33.5 10.1 210 233 A F - 0 0 58 -2,-0.3 2,-0.1 -17,-0.1 -17,-0.1 -0.909 46.2 -80.0-155.2 176.0 22.8 -32.4 7.7 211 234 A R - 0 0 193 -19,-0.3 2,-0.1 -2,-0.3 -23,-0.1 -0.444 46.0-102.5 -82.7 156.8 21.9 -32.5 4.0 212 235 A R - 0 0 61 -2,-0.1 3,-0.1 1,-0.1 -1,-0.1 -0.540 46.2-104.1 -64.8 146.2 23.3 -30.1 1.4 213 236 A I - 0 0 0 1,-0.2 -25,-0.1 -2,-0.1 -1,-0.1 -0.416 61.5 -65.6 -64.8 152.4 20.6 -27.6 0.5 214 237 A P > - 0 0 21 0, 0.0 3,-1.7 0, 0.0 -1,-0.2 0.086 46.7-114.1 -46.8 152.1 19.1 -28.3 -3.0 215 238 A Y T 3 S+ 0 0 189 1,-0.3 4,-0.1 -3,-0.1 -2,-0.0 0.516 107.0 76.6 -75.8 -2.7 21.3 -28.1 -6.1 216 239 A R T 3 S+ 0 0 121 2,-0.1 2,-0.4 -109,-0.0 -1,-0.3 0.697 87.0 77.0 -73.1 -17.9 19.4 -25.2 -7.6 217 240 A Y S < S- 0 0 1 -3,-1.7 -110,-0.0 1,-0.1 5,-0.0 -0.785 92.7-112.0 -93.2 136.4 21.3 -23.1 -5.0 218 241 A S > - 0 0 34 -2,-0.4 4,-2.0 1,-0.1 5,-0.2 -0.035 18.8-112.0 -67.1 166.4 25.0 -22.5 -5.7 219 242 A D H > S+ 0 0 109 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.924 117.3 55.2 -63.9 -45.6 28.1 -23.8 -3.9 220 243 A E H > S+ 0 0 100 2,-0.2 4,-2.1 1,-0.2 5,-0.2 0.930 108.2 48.3 -50.7 -50.3 28.9 -20.4 -2.6 221 244 A L H > S+ 0 0 0 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.920 115.2 45.2 -60.2 -43.3 25.4 -20.0 -1.0 222 245 A N H X S+ 0 0 26 -4,-2.0 4,-2.2 1,-0.2 -1,-0.2 0.763 107.7 58.6 -68.6 -29.2 25.7 -23.5 0.5 223 246 A E H X S+ 0 0 107 -4,-2.2 4,-2.5 2,-0.2 -1,-0.2 0.956 108.0 44.8 -68.8 -46.1 29.2 -22.9 1.7 224 247 A I H X S+ 0 0 0 -4,-2.1 4,-1.3 2,-0.2 -2,-0.2 0.860 113.6 48.2 -72.1 -33.0 28.2 -19.9 3.8 225 248 A I H X S+ 0 0 0 -4,-1.6 4,-1.1 -5,-0.2 3,-0.4 0.938 111.2 52.5 -67.2 -44.0 25.1 -21.5 5.3 226 249 A T H >< S+ 0 0 53 -4,-2.2 3,-0.8 1,-0.2 -2,-0.2 0.907 107.2 52.4 -54.4 -44.4 27.3 -24.5 6.1 227 250 A R H >< S+ 0 0 88 -4,-2.5 3,-1.0 1,-0.3 -1,-0.2 0.786 105.5 54.6 -65.1 -30.0 29.8 -22.3 7.9 228 251 A M H 3< S+ 0 0 0 -4,-1.3 -1,-0.3 -3,-0.4 -48,-0.2 0.724 106.1 53.3 -73.7 -21.7 27.0 -20.8 10.0 229 252 A L T << S+ 0 0 3 -4,-1.1 -1,-0.2 -3,-0.8 -2,-0.2 0.131 79.1 134.8-100.4 18.0 26.0 -24.3 11.1 230 253 A N < - 0 0 53 -3,-1.0 6,-0.1 1,-0.1 5,-0.1 -0.438 58.9-134.1 -66.3 140.0 29.5 -25.1 12.2 231 254 A L S S+ 0 0 59 -2,-0.1 2,-0.6 -23,-0.1 -1,-0.1 0.853 92.1 71.6 -67.4 -34.7 29.6 -26.8 15.7 232 255 A K S >> S- 0 0 100 1,-0.2 3,-1.7 -68,-0.1 4,-0.7 -0.754 75.6-151.0 -82.7 117.6 32.4 -24.6 16.9 233 256 A D G >4 S+ 0 0 51 -2,-0.6 3,-1.0 1,-0.3 -1,-0.2 0.862 95.7 60.8 -58.7 -36.8 31.0 -21.1 17.5 234 257 A Y G 34 S+ 0 0 145 1,-0.2 -1,-0.3 -3,-0.1 4,-0.1 0.634 100.4 54.9 -67.2 -13.3 34.4 -19.6 16.7 235 258 A H G <4 S+ 0 0 108 -3,-1.7 -1,-0.2 2,-0.1 -2,-0.2 0.602 86.7 97.0 -92.6 -15.8 34.3 -21.1 13.2 236 259 A R S << S- 0 0 1 -3,-1.0 -8,-0.2 -4,-0.7 -63,-0.1 -0.516 85.9-108.5 -66.4 140.5 31.0 -19.4 12.4 237 260 A P - 0 0 1 0, 0.0 2,-0.1 0, 0.0 -1,-0.1 -0.326 27.5-117.7 -73.7 155.2 31.5 -16.2 10.5 238 261 A S > - 0 0 23 1,-0.1 4,-2.6 -4,-0.1 5,-0.2 -0.449 32.6-102.0 -79.1 161.8 30.9 -12.8 12.1 239 262 A V H > S+ 0 0 10 1,-0.2 4,-2.0 2,-0.2 5,-0.2 0.910 128.4 50.5 -46.4 -45.9 28.3 -10.4 10.8 240 263 A E H > S+ 0 0 104 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.907 107.8 51.3 -63.5 -40.0 31.2 -8.6 9.1 241 264 A E H > S+ 0 0 94 1,-0.2 4,-0.5 2,-0.2 -2,-0.2 0.906 108.9 52.4 -63.8 -39.3 32.5 -11.9 7.5 242 265 A I H >< S+ 0 0 0 -4,-2.6 3,-0.8 1,-0.2 6,-0.2 0.889 109.6 48.4 -60.0 -45.8 29.0 -12.6 6.2 243 266 A L H 3< S+ 0 0 40 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.812 101.6 61.8 -70.5 -30.2 28.7 -9.2 4.5 244 267 A E H 3< S+ 0 0 148 -4,-1.7 -1,-0.2 -5,-0.2 -2,-0.2 0.673 78.3 120.6 -67.7 -16.6 32.2 -9.4 2.8 245 268 A N S X< S- 0 0 21 -3,-0.8 3,-1.9 -4,-0.5 -3,-0.0 -0.293 70.4-133.3 -54.0 125.0 30.9 -12.4 1.0 246 269 A P T 3 S+ 0 0 114 0, 0.0 -1,-0.2 0, 0.0 -3,-0.0 0.694 102.4 70.0 -51.8 -26.5 31.0 -11.8 -2.9 247 270 A L T 3 S+ 0 0 32 -27,-0.1 2,-0.4 2,-0.0 -4,-0.1 0.858 82.9 81.8 -58.9 -39.2 27.5 -13.2 -3.0 248 271 A I < + 0 0 18 -3,-1.9 2,-0.2 -6,-0.2 -135,-0.0 -0.602 61.3 176.2 -82.7 122.5 26.0 -10.1 -1.3 249 272 A L > - 0 0 87 -2,-0.4 3,-1.4 1,-0.0 4,-0.3 -0.695 45.4 -97.1-122.0 169.2 25.4 -7.1 -3.5 250 273 A E G > S+ 0 0 134 1,-0.2 3,-1.9 -2,-0.2 -1,-0.0 0.885 118.4 58.9 -55.5 -39.3 23.9 -3.6 -3.2 251 274 A H G 3 S+ 0 0 71 1,-0.3 -1,-0.2 4,-0.0 -3,-0.0 0.638 93.9 66.5 -72.6 -12.5 20.5 -4.7 -4.5 252 275 A H G < S+ 0 0 0 -3,-1.4 -1,-0.3 2,-0.0 -135,-0.2 0.503 90.0 87.5 -80.5 -5.6 20.1 -7.3 -1.8 253 276 A H S < S- 0 0 51 -3,-1.9 -136,-0.1 -4,-0.3 -140,-0.0 -0.396 93.1 -72.3 -89.7 172.6 19.9 -4.5 0.8 254 277 A H - 0 0 55 -2,-0.1 2,-0.4 -138,-0.1 -1,-0.2 -0.202 47.2-162.7 -60.1 148.3 16.9 -2.5 2.0 255 278 A H 0 0 67 -111,-0.2 -109,-0.1 -192,-0.1 -111,-0.1 -1.000 360.0 360.0-136.7 141.4 15.3 0.1 -0.2 256 279 A H 0 0 191 -2,-0.4 -2,-0.0 -110,-0.0 -1,-0.0 0.183 360.0 360.0 -89.7 360.0 12.9 3.0 0.4