==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-JAN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 13-MAY-10 3N0A . COMPND 2 MOLECULE: TYROSINE-PROTEIN PHOSPHATASE AUXILIN; . SOURCE 2 ORGANISM_SCIENTIFIC: BOS TAURUS; . AUTHOR S.C.HARRISON,R.GUAN,H.DAI,T.KIRCHHAUSEN . 335 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16576.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 230 68.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 16 4.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 69 20.6 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 0.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.3 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 . 31 9.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 34 10.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 63 18.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 0.3 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 0 1 0 0 0 2 0 1 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 1 0 2 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 1 0 3 1 0 2 1 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 1 0 1 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 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 53 A V 0 0 109 0, 0.0 2,-0.8 0, 0.0 13,-0.1 0.000 360.0 360.0 360.0 97.2 -40.3 6.2 0.9 2 54 A T E +A 13 0A 73 11,-0.7 11,-2.5 12,-0.0 2,-0.3 -0.827 360.0 171.2-100.6 103.2 -42.7 3.8 -0.8 3 55 A S E -A 12 0A 59 -2,-0.8 2,-0.3 9,-0.2 9,-0.2 -0.849 12.9-170.9-113.9 147.3 -43.1 4.6 -4.5 4 56 A Y E -A 11 0A 82 7,-2.2 7,-3.2 -2,-0.3 2,-0.4 -0.974 5.5-162.2-131.9 148.6 -44.8 2.7 -7.3 5 57 A T E -A 10 0A 100 -2,-0.3 5,-0.2 5,-0.2 3,-0.0 -0.960 12.6-178.6-133.9 117.4 -44.8 3.2 -11.1 6 58 A K S S- 0 0 88 3,-0.6 -1,-0.1 -2,-0.4 4,-0.1 0.898 74.6 -68.4 -74.4 -43.3 -47.4 1.7 -13.4 7 59 A G S S+ 0 0 56 2,-0.6 0, 0.0 0, 0.0 0, 0.0 -0.291 117.7 4.4-167.7 -94.7 -45.7 3.3 -16.4 8 60 A D S S+ 0 0 145 -2,-0.1 2,-0.1 15,-0.1 14,-0.0 0.809 117.7 86.4 -71.8 -31.9 -45.7 7.0 -16.9 9 61 A L - 0 0 9 14,-0.2 -3,-0.6 12,-0.0 -2,-0.6 -0.397 62.8-157.2 -77.9 145.0 -47.5 7.4 -13.6 10 62 A D E -AB 5 22A 37 12,-1.0 12,-2.0 -5,-0.2 2,-0.7 -0.964 3.9-167.5-124.7 116.1 -45.8 7.6 -10.2 11 63 A F E -AB 4 21A 0 -7,-3.2 -7,-2.2 -2,-0.5 2,-0.6 -0.878 7.2-175.4-102.8 106.8 -47.7 6.7 -7.0 12 64 A T E -AB 3 20A 4 8,-3.0 8,-2.8 -2,-0.7 2,-1.4 -0.891 18.2-147.8-104.4 117.0 -45.9 7.7 -3.8 13 65 A Y E +AB 2 19A 18 -11,-2.5 -11,-0.7 -2,-0.6 6,-0.2 -0.680 17.8 177.9 -79.5 93.9 -47.5 6.7 -0.5 14 66 A V S S- 0 0 1 4,-1.5 2,-0.3 -2,-1.4 -1,-0.2 0.931 83.9 -7.5 -59.4 -45.4 -46.5 9.6 1.7 15 67 A T S S- 0 0 5 3,-1.6 3,-0.3 -3,-0.2 -1,-0.1 -0.822 88.5 -95.9-130.8 179.4 -48.5 7.7 4.3 16 68 A S S S+ 0 0 33 -2,-0.3 310,-0.1 1,-0.2 3,-0.1 0.734 128.3 37.5 -66.9 -17.1 -50.6 4.5 3.8 17 69 A R S S+ 0 0 13 308,-0.9 77,-2.9 1,-0.2 2,-0.5 0.510 108.7 65.3-112.5 -6.6 -53.6 6.9 3.5 18 70 A I E - c 0 94A 1 -3,-0.3 -3,-1.6 307,-0.2 -4,-1.5 -0.931 64.1-179.0-123.8 106.7 -52.1 9.8 1.6 19 71 A I E -Bc 13 95A 0 75,-3.2 77,-3.7 -2,-0.5 2,-0.5 -0.887 15.8-154.1-110.8 133.9 -51.0 9.0 -1.9 20 72 A V E -Bc 12 96A 0 -8,-2.8 -8,-3.0 -2,-0.4 2,-0.5 -0.930 11.8-161.6-106.6 126.9 -49.4 11.4 -4.4 21 73 A M E -Bc 11 97A 0 75,-3.1 77,-0.8 -2,-0.5 2,-0.5 -0.919 6.4-147.5-112.5 129.4 -49.9 10.6 -8.1 22 74 A S E Bc 10 98A 6 -12,-2.0 -12,-1.0 -2,-0.5 77,-0.1 -0.865 360.0 360.0-106.3 127.5 -47.6 12.1 -10.7 23 75 A F 0 0 110 75,-0.8 -14,-0.2 -2,-0.5 77,-0.1 -0.002 360.0 360.0 29.9 360.0 -48.7 13.0 -14.3 24 ! 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 25 88 A V > 0 0 110 0, 0.0 4,-1.5 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 -75.8 -55.7 7.6 -17.3 26 89 A D H > + 0 0 111 1,-0.2 4,-2.1 2,-0.2 5,-0.0 0.761 360.0 56.3 -71.7 -24.7 -57.2 4.2 -17.5 27 90 A D H > S+ 0 0 80 2,-0.2 4,-2.7 1,-0.2 5,-0.3 0.824 98.5 59.8 -73.8 -35.8 -54.1 3.0 -15.7 28 91 A I H > S+ 0 0 3 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.981 110.7 41.8 -49.4 -58.9 -54.8 5.4 -12.9 29 92 A R H X S+ 0 0 91 -4,-1.5 4,-2.8 1,-0.2 5,-0.3 0.913 112.0 56.1 -54.7 -48.6 -58.1 3.6 -12.4 30 93 A S H X S+ 0 0 46 -4,-2.1 4,-1.6 1,-0.2 -2,-0.2 0.941 110.4 42.3 -52.4 -57.0 -56.4 0.2 -12.8 31 94 A F H X S+ 0 0 18 -4,-2.7 4,-1.3 1,-0.2 -1,-0.2 0.924 118.1 44.9 -56.1 -49.1 -53.9 0.7 -10.1 32 95 A L H X S+ 0 0 0 -4,-2.1 4,-3.1 -5,-0.3 -1,-0.2 0.842 110.4 52.8 -72.5 -34.9 -56.3 2.3 -7.6 33 96 A D H X S+ 0 0 49 -4,-2.8 4,-0.9 -5,-0.2 -1,-0.2 0.856 109.8 49.7 -66.6 -35.7 -59.1 -0.2 -8.1 34 97 A S H < S+ 0 0 92 -4,-1.6 -2,-0.2 -5,-0.3 -1,-0.2 0.830 124.6 29.0 -72.8 -29.5 -56.8 -3.1 -7.5 35 98 A R H < S+ 0 0 106 -4,-1.3 -2,-0.2 -5,-0.2 -3,-0.2 0.707 138.9 14.7-103.0 -26.3 -55.4 -1.6 -4.3 36 99 A H H >< S- 0 0 32 -4,-3.1 3,-2.6 -5,-0.2 57,-0.2 -0.077 74.0-176.0-146.7 37.3 -58.3 0.6 -2.9 37 100 A L T 3< S- 0 0 99 -4,-0.9 -4,-0.1 1,-0.3 -3,-0.0 -0.106 77.3 -4.0 -46.7 129.7 -61.5 -0.4 -4.7 38 101 A D T 3 S+ 0 0 111 1,-0.1 -1,-0.3 2,-0.1 -5,-0.1 0.437 121.5 84.1 68.1 1.8 -64.5 1.8 -3.6 39 102 A H < + 0 0 38 -3,-2.6 54,-2.4 -7,-0.2 2,-0.4 -0.015 68.0 83.3-129.6 32.1 -62.2 3.6 -1.1 40 103 A Y E -d 93 0A 3 52,-0.2 2,-0.4 -4,-0.1 54,-0.2 -0.981 46.6-166.0-131.8 150.1 -60.3 6.3 -2.8 41 104 A T E -d 94 0A 22 52,-1.4 54,-2.8 -2,-0.4 2,-0.6 -1.000 17.6-141.0-125.4 134.4 -61.0 9.9 -3.9 42 105 A V E -de 95 59A 0 16,-3.1 18,-3.2 -2,-0.4 2,-1.2 -0.841 5.3-157.3 -93.1 121.1 -58.8 11.7 -6.3 43 106 A Y E -de 96 60A 8 52,-3.1 54,-2.1 -2,-0.6 2,-0.8 -0.771 14.6-160.5 -96.3 87.9 -58.2 15.4 -5.4 44 107 A N E +de 97 61A 0 16,-1.3 18,-2.1 -2,-1.2 19,-1.1 -0.616 15.6 179.1 -72.9 108.6 -57.3 16.7 -8.8 45 108 A L + 0 0 2 52,-4.0 19,-2.0 -2,-0.8 53,-0.2 0.588 48.4 105.3 -87.1 -12.6 -55.4 20.0 -8.3 46 109 A S S S- 0 0 6 51,-0.5 17,-0.6 17,-0.2 16,-0.1 -0.343 74.8-131.7 -66.0 149.3 -54.8 20.6 -12.0 47 110 A P S S+ 0 0 45 0, 0.0 2,-0.5 0, 0.0 -1,-0.1 0.837 94.3 75.0 -68.5 -30.8 -56.9 23.2 -13.7 48 111 A K S S- 0 0 143 1,-0.1 -2,-0.2 2,-0.0 15,-0.1 -0.728 79.8-150.8 -89.5 128.4 -57.6 20.7 -16.5 49 112 A S - 0 0 63 -2,-0.5 2,-0.3 12,-0.1 3,-0.2 -0.015 23.9-112.9 -94.9-174.9 -60.1 18.0 -15.4 50 113 A Y > + 0 0 34 1,-0.1 3,-0.6 6,-0.1 4,-0.3 -0.588 56.0 142.7-114.1 64.7 -61.1 14.3 -15.9 51 114 A R G > S+ 0 0 203 -2,-0.3 3,-0.6 1,-0.2 5,-0.2 0.964 73.1 40.2 -67.9 -52.3 -64.5 15.0 -17.6 52 115 A T G 3 S+ 0 0 145 1,-0.2 -1,-0.2 -3,-0.2 -2,-0.0 0.104 91.0 95.4 -89.2 23.5 -64.5 12.1 -20.1 53 116 A A G < - 0 0 26 -3,-0.6 -1,-0.2 1,-0.1 -2,-0.1 0.849 69.1-150.8 -83.9 -36.9 -62.9 9.6 -17.7 54 117 A K S < S+ 0 0 169 -3,-0.6 3,-0.2 -4,-0.3 -1,-0.1 0.298 94.7 73.9 74.4 -10.2 -66.0 7.8 -16.4 55 118 A F > + 0 0 5 -5,-0.1 3,-1.9 1,-0.1 -1,-0.1 0.219 66.1 103.7-103.7 6.8 -63.9 7.2 -13.3 56 119 A H G > + 0 0 89 1,-0.3 3,-2.1 -5,-0.2 -1,-0.1 0.673 57.2 79.5 -59.1 -22.1 -64.6 10.9 -12.7 57 120 A S G 3 S+ 0 0 97 1,-0.3 -1,-0.3 -3,-0.2 -2,-0.1 0.636 95.5 48.2 -62.5 -11.9 -67.2 9.9 -10.1 58 121 A R G < S+ 0 0 50 -3,-1.9 -16,-3.1 -17,-0.1 2,-0.5 0.297 96.0 94.2-108.9 5.0 -64.2 9.5 -7.8 59 122 A V E < -e 42 0A 20 -3,-2.1 2,-0.7 -18,-0.2 -16,-0.2 -0.890 56.3-158.6-110.4 123.6 -62.5 12.8 -8.7 60 123 A S E -e 43 0A 42 -18,-3.2 -16,-1.3 -2,-0.5 2,-1.2 -0.884 20.2-143.7 -92.1 114.1 -62.9 16.1 -6.8 61 124 A E E +e 44 0A 75 -2,-0.7 -16,-0.1 1,-0.2 -18,-0.1 -0.666 28.7 169.1 -84.2 96.2 -62.0 18.8 -9.3 62 125 A C - 0 0 25 -18,-2.1 -17,-0.2 -2,-1.2 -1,-0.2 0.790 23.0-157.9 -80.2 -27.3 -60.2 21.3 -7.1 63 126 A S - 0 0 57 -19,-1.1 -17,-0.2 -17,-0.6 -18,-0.1 0.949 17.4-176.3 46.8 69.7 -58.9 23.4 -10.0 64 127 A W - 0 0 4 -19,-2.0 -1,-0.1 1,-0.1 5,-0.1 -0.522 36.3 -80.3 -88.6 161.9 -56.0 25.1 -8.4 65 128 A P - 0 0 14 0, 0.0 -1,-0.1 0, 0.0 39,-0.0 -0.308 39.0-125.9 -59.6 145.2 -53.7 27.8 -10.1 66 129 A I S S+ 0 0 102 1,-0.1 38,-0.2 -3,-0.1 35,-0.1 0.868 96.0 4.6 -62.6 -41.9 -51.1 26.2 -12.3 67 130 A R S S+ 0 0 140 2,-0.1 2,-0.1 36,-0.1 -1,-0.1 0.732 113.7 74.5-116.5 -33.2 -48.0 27.9 -10.8 68 131 A Q S S- 0 0 24 1,-0.1 3,-0.1 211,-0.0 163,-0.0 -0.468 87.5 -93.2 -89.1 155.7 -49.0 29.9 -7.7 69 132 A A - 0 0 0 -2,-0.1 -1,-0.1 1,-0.1 3,-0.1 -0.335 51.3-107.3 -56.9 143.3 -50.0 28.7 -4.3 70 133 A P - 0 0 2 0, 0.0 -1,-0.1 0, 0.0 -6,-0.1 -0.348 44.3 -82.3 -72.2 160.6 -53.8 28.3 -4.0 71 134 A S > - 0 0 23 1,-0.1 4,-2.2 -3,-0.1 3,-0.4 -0.280 40.2-116.9 -59.1 149.2 -55.8 30.8 -1.9 72 135 A L H > S+ 0 0 0 1,-0.2 4,-2.6 2,-0.2 5,-0.3 0.878 114.6 59.7 -58.1 -40.7 -55.7 30.0 1.8 73 136 A H H > S+ 0 0 65 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.909 109.9 42.0 -50.6 -49.5 -59.5 29.4 1.7 74 137 A N H > S+ 0 0 68 -3,-0.4 4,-2.4 2,-0.2 5,-0.2 0.862 111.3 54.3 -71.6 -37.2 -59.1 26.6 -0.9 75 138 A L H X S+ 0 0 0 -4,-2.2 4,-1.7 1,-0.2 -2,-0.2 0.922 114.4 42.1 -60.8 -43.9 -56.0 25.1 0.8 76 139 A F H X S+ 0 0 0 -4,-2.6 4,-2.1 -5,-0.2 -2,-0.2 0.912 112.2 53.5 -69.3 -44.1 -58.0 24.8 4.0 77 140 A A H X S+ 0 0 19 -4,-2.3 4,-2.2 -5,-0.3 -2,-0.2 0.903 108.8 48.6 -61.8 -42.2 -61.2 23.6 2.4 78 141 A V H X S+ 0 0 10 -4,-2.4 4,-2.7 2,-0.2 5,-0.2 0.932 109.0 53.3 -65.1 -44.6 -59.5 20.8 0.5 79 142 A C H X S+ 0 0 0 -4,-1.7 4,-2.5 -5,-0.2 -1,-0.2 0.910 110.4 48.3 -52.7 -45.1 -57.7 19.6 3.7 80 143 A R H X S+ 0 0 67 -4,-2.1 4,-2.7 2,-0.2 -1,-0.2 0.903 110.7 49.7 -66.6 -43.0 -61.0 19.5 5.5 81 144 A N H X S+ 0 0 77 -4,-2.2 4,-1.9 2,-0.2 -1,-0.2 0.910 111.8 49.0 -57.9 -43.5 -62.6 17.5 2.7 82 145 A M H X S+ 0 0 0 -4,-2.7 4,-2.5 2,-0.2 -2,-0.2 0.916 111.1 50.5 -62.5 -43.0 -59.7 15.1 2.7 83 146 A Y H X S+ 0 0 35 -4,-2.5 4,-2.2 1,-0.2 -2,-0.2 0.938 109.8 49.2 -59.0 -49.4 -60.1 14.8 6.5 84 147 A N H X S+ 0 0 84 -4,-2.7 4,-1.2 2,-0.2 -1,-0.2 0.858 110.9 51.2 -59.3 -36.2 -63.8 14.1 6.3 85 148 A W H X S+ 0 0 38 -4,-1.9 4,-0.7 1,-0.2 3,-0.5 0.929 110.4 47.9 -70.0 -44.3 -63.2 11.4 3.6 86 149 A L H < S+ 0 0 2 -4,-2.5 3,-0.4 1,-0.2 6,-0.2 0.831 111.8 51.3 -61.6 -34.7 -60.6 9.7 5.8 87 150 A L H < S+ 0 0 91 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.766 96.5 70.3 -72.1 -27.0 -63.0 9.8 8.7 88 151 A Q H < S- 0 0 147 -4,-1.2 -1,-0.2 -3,-0.5 -2,-0.2 0.765 117.1 -1.9 -69.4 -26.1 -65.8 8.3 6.7 89 152 A N >< - 0 0 49 -4,-0.7 3,-2.2 -3,-0.4 -1,-0.2 -0.902 62.7-129.9-166.0 130.8 -64.3 4.8 6.5 90 153 A P T 3 S+ 0 0 110 0, 0.0 -2,-0.1 0, 0.0 -1,-0.0 0.697 108.5 59.0 -63.2 -16.4 -61.0 3.4 7.8 91 154 A K T 3 S+ 0 0 134 2,-0.0 -52,-0.1 -3,-0.0 2,-0.1 0.562 82.7 114.7 -84.5 -8.3 -60.2 1.9 4.4 92 155 A N < - 0 0 2 -3,-2.2 2,-0.3 -6,-0.2 -52,-0.2 -0.349 42.9-175.6 -67.9 139.5 -60.4 5.3 2.7 93 156 A V E - d 0 40A 6 -54,-2.4 -52,-1.4 -57,-0.2 2,-0.5 -0.962 20.0-131.8-131.0 151.6 -57.3 6.9 1.1 94 157 A C E -cd 18 41A 0 -77,-2.9 -75,-3.2 -2,-0.3 2,-0.6 -0.889 13.7-159.7-101.5 132.6 -56.7 10.3 -0.5 95 158 A V E -cd 19 42A 0 -54,-2.8 -52,-3.1 -2,-0.5 2,-0.5 -0.943 8.7-157.8-113.0 113.6 -55.0 10.5 -3.9 96 159 A V E -cd 20 43A 0 -77,-3.7 -75,-3.1 -2,-0.6 2,-0.4 -0.778 13.9-179.6 -94.6 130.6 -53.5 13.8 -4.6 97 160 A H E +cd 21 44A 12 -54,-2.1 -52,-4.0 -2,-0.5 -51,-0.5 -0.990 8.4 164.0-132.1 132.8 -52.9 14.8 -8.3 98 161 A C E -c 22 0A 4 -77,-0.8 -75,-0.8 -2,-0.4 4,-0.1 -0.933 48.2 -98.4-136.4 169.6 -51.4 17.8 -10.0 99 162 A L - 0 0 67 -2,-0.3 -76,-0.2 2,-0.2 3,-0.1 0.903 69.8 -86.2 -46.9 -59.9 -50.0 18.7 -13.4 100 163 A D S S+ 0 0 97 -78,-0.1 2,-2.7 -77,-0.1 -1,-0.1 0.044 104.6 114.3 152.3 -5.5 -46.3 18.3 -12.7 101 164 A G > - 0 0 40 1,-0.2 3,-1.8 -35,-0.1 4,-0.3 -0.648 62.4-171.7 -69.2 71.5 -46.2 21.9 -11.5 102 165 A R T 3> + 0 0 13 -2,-2.7 4,-1.2 1,-0.3 -1,-0.2 0.302 60.0 84.8 -75.1 9.9 -45.5 19.5 -8.6 103 166 A A H 3> S+ 0 0 21 2,-0.2 4,-2.5 1,-0.1 -1,-0.3 0.760 82.2 64.0 -75.5 -24.1 -45.6 22.1 -5.9 104 167 A A H <> S+ 0 0 14 -3,-1.8 4,-2.0 2,-0.2 5,-0.2 0.965 103.5 44.4 -67.5 -51.3 -49.4 21.8 -5.7 105 168 A S H > S+ 0 0 0 -4,-0.3 4,-2.3 1,-0.2 -1,-0.2 0.933 115.2 51.2 -50.9 -47.9 -49.4 18.2 -4.6 106 169 A S H X S+ 0 0 0 -4,-1.2 4,-2.5 1,-0.2 -2,-0.2 0.854 108.1 48.0 -66.8 -40.0 -46.6 19.0 -2.1 107 170 A I H X S+ 0 0 0 -4,-2.5 4,-2.9 2,-0.2 -1,-0.2 0.895 110.8 52.8 -69.3 -37.4 -48.3 22.0 -0.4 108 171 A L H X S+ 0 0 0 -4,-2.0 4,-2.2 -5,-0.2 -2,-0.2 0.952 111.4 46.3 -58.1 -47.9 -51.5 20.1 -0.0 109 172 A V H X S+ 0 0 0 -4,-2.3 4,-1.8 1,-0.2 -2,-0.2 0.939 114.0 47.5 -62.9 -46.1 -49.6 17.3 1.7 110 173 A G H X S+ 0 0 0 -4,-2.5 4,-1.3 1,-0.2 -1,-0.2 0.905 112.0 50.0 -58.9 -44.2 -47.7 19.7 3.9 111 174 A A H X S+ 0 0 0 -4,-2.9 4,-3.1 1,-0.2 -1,-0.2 0.878 106.4 57.1 -62.7 -35.6 -50.9 21.5 4.8 112 175 A M H X S+ 0 0 1 -4,-2.2 4,-2.4 1,-0.2 6,-0.2 0.898 101.9 54.8 -66.7 -37.6 -52.5 18.2 5.7 113 176 A F H <>S+ 0 0 0 -4,-1.8 5,-2.3 1,-0.2 6,-1.3 0.855 114.4 41.4 -57.4 -38.8 -49.8 17.4 8.2 114 177 A I H ><5S+ 0 0 2 -4,-1.3 3,-1.6 4,-0.2 -2,-0.2 0.905 111.9 53.2 -78.7 -43.4 -50.6 20.7 9.9 115 178 A F H 3<5S+ 0 0 0 -4,-3.1 -2,-0.2 1,-0.3 -3,-0.2 0.882 111.1 47.8 -57.7 -40.4 -54.3 20.4 9.6 116 179 A C T 3<5S- 0 0 0 -4,-2.4 -1,-0.3 -5,-0.2 208,-0.2 0.238 116.4-113.3 -90.4 12.0 -54.3 17.0 11.3 117 180 A N T < 5S+ 0 0 39 -3,-1.6 -3,-0.2 2,-0.3 -2,-0.1 0.698 78.4 129.4 68.5 20.9 -52.0 18.1 14.1 118 181 A L S S- 0 0 79 1,-0.1 4,-1.1 33,-0.0 -1,-0.1 -0.940 80.3-123.4-129.6 153.5 -44.8 24.6 12.8 122 185 A P H > S+ 0 0 43 0, 0.0 4,-2.8 0, 0.0 5,-0.2 0.807 98.8 65.8 -70.5 -34.3 -44.0 24.6 9.1 123 186 A G H > S+ 0 0 28 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.929 103.2 43.4 -54.7 -54.5 -40.4 23.5 9.3 124 187 A P H > S+ 0 0 32 0, 0.0 4,-2.4 0, 0.0 -1,-0.2 0.910 115.0 51.2 -62.1 -40.7 -41.0 20.0 10.6 125 188 A A H X S+ 0 0 0 -4,-1.1 4,-2.7 2,-0.2 -2,-0.2 0.931 111.1 47.4 -57.7 -47.0 -43.9 19.5 8.2 126 189 A V H X S+ 0 0 13 -4,-2.8 4,-3.2 1,-0.2 -1,-0.2 0.881 110.8 53.1 -65.6 -36.1 -41.7 20.6 5.2 127 190 A R H X S+ 0 0 162 -4,-2.4 4,-1.9 -5,-0.2 -1,-0.2 0.915 110.2 45.6 -66.2 -43.0 -38.9 18.3 6.4 128 191 A L H X S+ 0 0 19 -4,-2.4 4,-1.5 2,-0.2 -2,-0.2 0.940 114.5 50.5 -63.8 -43.1 -41.2 15.3 6.5 129 192 A L H >X S+ 0 0 0 -4,-2.7 4,-3.4 1,-0.2 3,-0.5 0.940 110.0 48.1 -57.9 -51.7 -42.6 16.3 3.1 130 193 A Y H 3< S+ 0 0 82 -4,-3.2 -1,-0.2 1,-0.3 -2,-0.2 0.857 110.3 52.6 -59.7 -35.5 -39.2 16.6 1.5 131 194 A A H 3< S+ 0 0 60 -4,-1.9 -1,-0.3 -5,-0.2 -2,-0.2 0.792 117.2 38.7 -71.9 -26.0 -38.1 13.3 3.0 132 195 A K H << S+ 0 0 42 -4,-1.5 -2,-0.2 -3,-0.5 -1,-0.2 0.794 128.7 30.9 -90.3 -34.0 -41.2 11.7 1.4 133 196 A R S >< S- 0 0 12 -4,-3.4 3,-1.2 -5,-0.2 -1,-0.2 -0.548 81.6-173.2-126.0 67.3 -41.2 13.6 -1.8 134 197 A P T 3 + 0 0 83 0, 0.0 -3,-0.1 0, 0.0 3,-0.1 -0.211 64.9 31.3 -59.7 149.1 -37.5 14.4 -2.6 135 198 A G T 3 S+ 0 0 89 1,-0.1 2,-0.7 -5,-0.1 -5,-0.1 0.080 91.8 98.7 95.3 -24.4 -36.8 16.6 -5.6 136 199 A I < - 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