==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=31-MAY-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 24-MAY-13 4KX3 . COMPND 2 MOLECULE: CYTOSOLIC 5'-NUCLEOTIDASE 3; . SOURCE 2 ORGANISM_SCIENTIFIC: MUS MUSCULUS; . AUTHOR E.BITTO,C.A.BINGMAN,C.L.GROBOSKY . 291 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13630.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 205 70.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 31 10.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 15 5.2 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.3 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-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 . 18 6.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 38 13.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 98 33.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 1.0 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 1 1 2 1 0 0 3 1 0 0 1 0 0 0 0 1 0 1 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 0 1 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 0 PARALLEL BRIDGES PER LADDER . 2 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 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 2 0 0 0 0 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 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 7 A A 0 0 122 0, 0.0 2,-0.5 0, 0.0 24,-0.1 0.000 360.0 360.0 360.0 158.3 -26.2 7.0 10.7 2 8 A V - 0 0 15 22,-0.1 2,-0.5 2,-0.0 26,-0.1 -0.801 360.0-170.4 -92.3 132.6 -23.0 5.1 10.7 3 9 A H > - 0 0 100 -2,-0.5 3,-1.7 1,-0.1 4,-0.2 -0.924 12.7-167.5-126.6 106.0 -20.5 6.1 7.9 4 10 A L G > S+ 0 0 7 -2,-0.5 3,-2.1 1,-0.3 6,-0.3 0.855 88.2 65.5 -58.3 -36.9 -17.6 3.8 7.4 5 11 A K G 3 S+ 0 0 160 1,-0.3 -1,-0.3 5,-0.1 6,-0.0 0.720 98.6 53.8 -54.7 -29.4 -15.9 6.5 5.2 6 12 A M G < S+ 0 0 143 -3,-1.7 -1,-0.3 1,-0.1 -2,-0.2 0.294 95.3 80.3 -84.5 -0.1 -15.7 8.8 8.2 7 13 A M X> - 0 0 17 -3,-2.1 3,-1.5 -4,-0.2 4,-0.5 -0.923 63.5-162.1-113.9 107.5 -13.9 6.0 10.3 8 14 A P H >> S+ 0 0 96 0, 0.0 3,-0.9 0, 0.0 4,-0.6 0.773 87.4 64.7 -65.8 -25.1 -10.2 5.8 9.5 9 15 A E H 34 S+ 0 0 30 1,-0.2 3,-0.3 2,-0.2 273,-0.1 0.783 103.3 51.2 -59.6 -35.0 -9.8 2.3 11.0 10 16 A F H <4 S+ 0 0 9 -3,-1.5 -1,-0.2 -6,-0.3 7,-0.1 0.547 103.1 58.0 -78.2 -14.5 -12.1 1.1 8.2 11 17 A Q H << S+ 0 0 98 -3,-0.9 -1,-0.2 -4,-0.5 -2,-0.2 0.469 75.6 117.1-100.0 -1.3 -10.1 2.8 5.4 12 18 A K S >< S- 0 0 86 -4,-0.6 3,-1.6 -3,-0.3 -3,-0.0 -0.250 76.8-117.1 -63.5 153.1 -6.9 1.0 6.1 13 19 A S T 3 S+ 0 0 113 1,-0.3 -1,-0.1 3,-0.0 262,-0.1 0.803 111.1 62.6 -72.3 -21.5 -5.8 -1.3 3.2 14 20 A S T 3 S+ 0 0 14 260,-0.1 261,-3.2 262,-0.1 2,-0.7 0.564 84.7 92.4 -78.0 -4.7 -6.0 -4.5 5.2 15 21 A V E < -A 274 0A 13 -3,-1.6 2,-0.5 259,-0.2 259,-0.2 -0.820 54.0-178.1 -98.3 111.1 -9.9 -3.9 5.7 16 22 A R E +A 273 0A 98 257,-3.1 257,-2.7 -2,-0.7 2,-0.5 -0.953 3.8 175.6-116.0 118.8 -12.0 -5.7 3.1 17 23 A I - 0 0 32 -2,-0.5 255,-0.1 255,-0.2 254,-0.1 -0.950 15.5-170.6-124.5 116.9 -15.7 -5.3 3.2 18 24 A K S S+ 0 0 129 -2,-0.5 -1,-0.1 253,-0.5 254,-0.1 0.899 86.6 29.4 -73.0 -41.2 -18.0 -6.7 0.5 19 25 A N > + 0 0 75 252,-0.4 4,-2.2 1,-0.2 -1,-0.3 -0.715 65.3 172.1-122.8 83.6 -21.2 -5.0 1.6 20 26 A P H > S+ 0 0 59 0, 0.0 4,-2.9 0, 0.0 5,-0.2 0.891 78.0 54.1 -67.4 -29.1 -20.4 -1.7 3.3 21 27 A T H > S+ 0 0 80 2,-0.2 4,-2.3 1,-0.2 5,-0.1 0.906 109.6 48.5 -71.3 -37.7 -24.0 -0.5 3.6 22 28 A R H > S+ 0 0 135 -3,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.944 110.3 51.1 -66.7 -43.5 -25.0 -3.8 5.4 23 29 A V H X S+ 0 0 1 -4,-2.2 4,-3.0 1,-0.2 5,-0.3 0.945 109.6 52.8 -56.7 -42.8 -22.0 -3.4 7.8 24 30 A E H X S+ 0 0 42 -4,-2.9 4,-2.5 1,-0.2 -1,-0.2 0.928 110.6 46.0 -54.8 -48.7 -23.2 0.1 8.4 25 31 A E H X S+ 0 0 122 -4,-2.3 4,-2.4 2,-0.2 -1,-0.2 0.869 112.0 49.9 -63.5 -44.4 -26.7 -1.1 9.3 26 32 A I H X S+ 0 0 13 -4,-2.6 4,-2.2 2,-0.2 -2,-0.2 0.962 112.5 47.4 -59.1 -50.7 -25.4 -3.9 11.5 27 33 A I H X S+ 0 0 2 -4,-3.0 4,-2.6 2,-0.2 -2,-0.2 0.879 109.0 54.6 -59.9 -40.6 -23.2 -1.5 13.4 28 34 A C H X S+ 0 0 38 -4,-2.5 4,-2.6 -5,-0.3 -1,-0.2 0.947 107.8 50.7 -57.5 -46.4 -26.0 1.0 13.7 29 35 A G H X S+ 0 0 6 -4,-2.4 4,-2.0 2,-0.2 -2,-0.2 0.902 109.2 50.3 -55.2 -41.2 -28.1 -1.8 15.3 30 36 A L H X S+ 0 0 1 -4,-2.2 4,-2.0 1,-0.2 -1,-0.2 0.931 110.5 50.5 -65.0 -45.1 -25.3 -2.6 17.8 31 37 A I H < S+ 0 0 63 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.919 108.8 51.2 -58.6 -45.8 -25.1 1.0 18.7 32 38 A K H < S+ 0 0 174 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.872 112.5 46.0 -56.3 -44.6 -28.9 1.2 19.3 33 39 A G H X S- 0 0 18 -4,-2.0 4,-0.5 -5,-0.2 3,-0.4 0.820 91.9-178.2 -69.0 -33.9 -28.8 -1.8 21.5 34 40 A G T >< - 0 0 14 -4,-2.0 3,-1.2 1,-0.2 4,-0.4 -0.102 53.3 -33.3 66.0-163.2 -25.8 -0.6 23.5 35 41 A A G >4 S+ 0 0 30 255,-0.3 3,-1.5 1,-0.3 -1,-0.2 0.846 130.8 66.5 -52.6 -42.4 -24.2 -2.6 26.4 36 42 A A G 34 S+ 0 0 80 -3,-0.4 -1,-0.3 1,-0.3 -2,-0.2 0.750 110.3 33.4 -61.5 -28.1 -27.4 -4.1 27.5 37 43 A K G << S+ 0 0 82 -3,-1.2 189,-2.7 -4,-0.5 2,-0.3 0.389 96.5 105.8-107.4 1.5 -27.8 -6.1 24.3 38 44 A L E < +b 226 0A 1 -3,-1.5 2,-0.3 -4,-0.4 189,-0.2 -0.646 32.7 165.2 -92.9 137.4 -24.2 -7.0 23.4 39 45 A Q E -b 227 0A 0 187,-2.0 189,-2.0 -2,-0.3 2,-0.4 -0.979 23.4-138.8-138.0 160.1 -22.3 -10.3 23.6 40 46 A I E -bc 228 154A 0 113,-3.0 115,-2.6 -2,-0.3 2,-0.5 -0.928 12.3-173.8-117.1 137.1 -19.1 -11.4 22.1 41 47 A I E +bc 229 155A 0 187,-2.8 189,-1.9 -2,-0.4 2,-0.4 -0.973 23.1 171.1-128.8 119.1 -18.3 -14.8 20.6 42 48 A T E -bc 230 156A 0 113,-3.0 115,-2.5 -2,-0.5 189,-0.2 -0.957 33.4-133.5-142.5 139.7 -14.7 -15.3 19.6 43 49 A D - 0 0 8 187,-2.3 115,-0.2 -2,-0.4 5,-0.1 -0.369 22.0-151.0 -66.8 167.4 -12.2 -17.8 18.4 44 50 A F >>> + 0 0 0 113,-0.3 4,-2.3 3,-0.2 3,-2.1 0.813 64.7 68.4-106.0 -75.8 -8.7 -17.8 20.1 45 51 A N T 345S- 0 0 20 1,-0.3 -1,-0.1 2,-0.2 187,-0.1 -0.327 123.1 -5.5 -60.5 121.0 -5.7 -18.9 18.1 46 52 A M T 345S+ 0 0 15 13,-0.2 -1,-0.3 4,-0.2 5,-0.2 0.477 130.7 68.6 74.1 2.8 -4.8 -16.4 15.3 47 53 A T T <45S+ 0 0 0 -3,-2.1 -2,-0.2 3,-0.1 -3,-0.2 0.692 121.0 9.8-109.2 -56.1 -8.0 -14.4 16.1 48 54 A L T <5S+ 0 0 1 -4,-2.3 89,-2.7 -5,-0.1 2,-0.2 0.717 132.2 59.2 -88.9 -27.1 -7.1 -13.0 19.6 49 55 A S B S-H 56 0C 99 3,-2.5 3,-2.3 -2,-0.3 -3,-0.0 -0.975 77.2 -8.3-147.5 126.2 5.4 -10.8 14.6 54 60 A N T 3 S- 0 0 126 -2,-0.4 -1,-0.1 1,-0.3 3,-0.1 0.899 131.7 -50.7 52.6 46.1 8.4 -9.1 13.0 55 61 A G T 3 S+ 0 0 81 1,-0.2 2,-0.3 -3,-0.0 -1,-0.3 0.498 117.2 106.9 69.7 8.3 8.3 -11.6 10.1 56 62 A K E < S-H 53 0C 159 -3,-2.3 -3,-2.5 0, 0.0 -1,-0.2 -0.950 72.7-108.5-120.1 147.8 8.1 -14.8 12.3 57 63 A R E -H 52 0C 137 -2,-0.3 -5,-0.3 -5,-0.2 -6,-0.1 -0.329 31.5-139.4 -71.1 137.6 5.2 -17.1 12.9 58 64 A C - 0 0 12 -7,-2.8 2,-0.2 -8,-0.1 76,-0.1 -0.688 24.5-101.2 -98.7 156.8 3.7 -17.0 16.4 59 65 A P - 0 0 10 0, 0.0 76,-0.3 0, 0.0 -13,-0.2 -0.508 18.7-139.0 -85.2 144.3 2.5 -20.1 18.2 60 66 A T > - 0 0 35 -2,-0.2 4,-1.6 -15,-0.1 74,-0.0 -0.392 43.4 -95.6 -71.5 169.8 -0.9 -21.6 18.7 61 67 A C H > S+ 0 0 0 1,-0.2 4,-1.2 2,-0.2 3,-0.3 0.912 130.5 50.6 -58.5 -44.8 -1.7 -22.9 22.2 62 68 A H H >> S+ 0 0 22 1,-0.2 4,-2.2 2,-0.2 3,-0.7 0.933 106.8 54.6 -58.8 -42.7 -0.8 -26.4 20.9 63 69 A N H 3> S+ 0 0 20 1,-0.3 4,-2.2 2,-0.2 -1,-0.2 0.792 97.5 64.7 -62.5 -30.4 2.6 -25.0 19.6 64 70 A I H 3< S+ 0 0 4 -4,-1.6 -1,-0.3 -3,-0.3 4,-0.2 0.907 109.4 39.1 -57.0 -42.8 3.4 -23.6 23.0 65 71 A I H X< S+ 0 0 0 -4,-1.2 3,-1.6 -3,-0.7 -2,-0.2 0.937 111.9 56.9 -73.2 -43.8 3.5 -27.2 24.2 66 72 A D H 3< S+ 0 0 9 -4,-2.2 -2,-0.2 1,-0.3 -1,-0.2 0.833 115.3 38.9 -50.7 -41.8 5.2 -28.6 21.1 67 73 A N T 3< S+ 0 0 92 -4,-2.2 -1,-0.3 -5,-0.2 -2,-0.2 0.369 95.7 106.6 -92.5 -2.9 8.0 -26.1 21.6 68 74 A C S X S- 0 0 12 -3,-1.6 3,-1.4 -4,-0.2 8,-0.1 -0.351 79.1-110.7 -86.9 168.7 8.4 -26.2 25.4 69 75 A K T 3 S+ 0 0 191 1,-0.3 -1,-0.1 -2,-0.1 4,-0.1 0.600 108.8 71.1 -69.8 -14.9 11.1 -27.8 27.6 70 76 A L T 3 S+ 0 0 48 -5,-0.1 2,-0.4 54,-0.1 -1,-0.3 0.406 88.6 73.5 -85.6 6.7 8.7 -30.5 28.9 71 77 A V S < S- 0 0 4 -3,-1.4 44,-0.0 -6,-0.1 48,-0.0 -0.971 85.5-120.4-120.9 131.6 8.7 -32.3 25.5 72 78 A T > - 0 0 75 -2,-0.4 4,-2.8 1,-0.1 5,-0.2 -0.258 25.0-114.6 -65.9 156.7 11.7 -34.3 24.3 73 79 A D H > S+ 0 0 102 2,-0.2 4,-2.1 1,-0.2 5,-0.1 0.800 116.2 57.1 -61.3 -32.2 13.3 -33.3 21.0 74 80 A E H > S+ 0 0 102 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.964 109.6 44.0 -65.8 -51.6 12.2 -36.5 19.4 75 81 A C H > S+ 0 0 5 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.948 110.4 56.1 -52.0 -50.6 8.6 -35.8 20.2 76 82 A R H X S+ 0 0 59 -4,-2.8 4,-2.8 1,-0.3 -1,-0.2 0.887 106.2 50.7 -57.6 -41.2 9.0 -32.2 19.1 77 83 A R H X S+ 0 0 134 -4,-2.1 4,-2.1 2,-0.2 -1,-0.3 0.928 110.7 48.0 -59.7 -49.2 10.2 -33.4 15.7 78 84 A K H X S+ 0 0 93 -4,-2.1 4,-2.3 2,-0.2 -2,-0.2 0.921 113.6 48.8 -51.5 -44.9 7.2 -35.7 15.3 79 85 A L H X S+ 0 0 4 -4,-2.8 4,-2.5 2,-0.2 -2,-0.2 0.898 109.4 51.4 -67.9 -40.6 4.9 -32.7 16.3 80 86 A L H X S+ 0 0 78 -4,-2.8 4,-2.6 -5,-0.2 -1,-0.2 0.891 111.1 48.7 -60.0 -41.6 6.6 -30.3 13.8 81 87 A Q H X S+ 0 0 123 -4,-2.1 4,-2.2 2,-0.2 -2,-0.2 0.880 110.1 49.0 -71.1 -44.9 6.1 -32.7 11.1 82 88 A L H X S+ 0 0 23 -4,-2.3 4,-3.6 2,-0.2 5,-0.4 0.927 111.7 53.1 -53.3 -44.5 2.4 -33.4 11.9 83 89 A K H X S+ 0 0 58 -4,-2.5 4,-3.1 1,-0.2 5,-0.4 0.953 110.2 45.4 -59.5 -49.7 2.0 -29.6 12.0 84 90 A E H X S+ 0 0 121 -4,-2.6 4,-1.1 1,-0.2 -1,-0.2 0.910 119.2 42.2 -55.4 -48.0 3.6 -29.1 8.5 85 91 A Q H X S+ 0 0 97 -4,-2.2 4,-1.0 -5,-0.2 -2,-0.2 0.922 121.6 37.3 -69.5 -46.6 1.5 -31.9 7.1 86 92 A Y H X S+ 0 0 1 -4,-3.6 4,-2.7 2,-0.2 -3,-0.2 0.846 111.0 57.3 -83.9 -28.9 -1.8 -31.1 8.7 87 93 A Y H X S+ 0 0 49 -4,-3.1 4,-2.6 -5,-0.4 5,-0.3 0.936 103.4 57.7 -62.4 -37.4 -1.7 -27.3 8.6 88 94 A A H X S+ 0 0 48 -4,-1.1 4,-0.6 -5,-0.4 -1,-0.2 0.883 110.1 42.1 -62.0 -40.9 -1.3 -27.6 4.9 89 95 A I H >< S+ 0 0 26 -4,-1.0 3,-0.7 2,-0.2 -1,-0.2 0.911 109.5 58.2 -67.9 -46.1 -4.5 -29.5 4.7 90 96 A E H 3< S+ 0 0 43 -4,-2.7 -2,-0.2 1,-0.2 -3,-0.2 0.905 117.3 32.9 -49.3 -44.7 -6.3 -27.1 7.2 91 97 A V H 3< S+ 0 0 20 -4,-2.6 -1,-0.2 -5,-0.1 -2,-0.2 0.520 84.5 132.8 -95.1 -6.0 -5.6 -24.1 4.9 92 98 A D X< - 0 0 44 -3,-0.7 3,-0.7 -4,-0.6 8,-0.1 -0.217 42.3-160.4 -51.0 114.6 -5.8 -25.9 1.6 93 99 A P T 3 S+ 0 0 42 0, 0.0 -1,-0.2 0, 0.0 -4,-0.0 0.753 85.3 59.8 -71.4 -18.0 -8.1 -23.8 -0.7 94 100 A V T 3 S+ 0 0 124 2,-0.1 2,-0.2 0, 0.0 -2,-0.1 0.736 92.1 80.5 -80.3 -23.3 -8.8 -26.7 -3.1 95 101 A L S < S- 0 0 45 -3,-0.7 2,-0.1 -6,-0.2 0, 0.0 -0.564 74.6-128.2 -96.6 144.6 -10.4 -29.0 -0.5 96 102 A T > - 0 0 65 -2,-0.2 4,-2.0 1,-0.1 5,-0.1 -0.354 29.1-106.5 -80.3 174.3 -13.9 -28.9 0.9 97 103 A V H > S+ 0 0 56 1,-0.2 4,-2.1 2,-0.2 -1,-0.1 0.913 122.4 51.0 -61.4 -43.1 -14.8 -28.8 4.6 98 104 A E H 4 S+ 0 0 143 1,-0.2 -1,-0.2 2,-0.2 -3,-0.0 0.837 108.4 50.6 -71.6 -36.2 -15.9 -32.4 4.3 99 105 A E H > S+ 0 0 94 1,-0.2 4,-0.5 2,-0.1 -1,-0.2 0.886 115.6 42.8 -64.1 -37.5 -12.7 -33.5 2.7 100 106 A K H X S+ 0 0 23 -4,-2.0 4,-2.0 1,-0.2 3,-0.5 0.815 95.5 82.1 -77.7 -32.7 -10.6 -31.7 5.4 101 107 A F H X S+ 0 0 77 -4,-2.1 4,-2.4 1,-0.3 3,-0.2 0.855 91.6 43.8 -46.1 -57.4 -12.7 -32.9 8.4 102 108 A P H > S+ 0 0 76 0, 0.0 4,-2.3 0, 0.0 -1,-0.3 0.860 112.1 54.0 -64.3 -33.4 -11.3 -36.4 8.9 103 109 A Y H X S+ 0 0 104 -4,-0.5 4,-2.1 -3,-0.5 -2,-0.2 0.874 108.2 51.1 -64.3 -35.9 -7.7 -35.1 8.5 104 110 A M H X S+ 0 0 0 -4,-2.0 4,-2.2 -3,-0.2 5,-0.2 0.951 109.2 49.7 -63.7 -48.1 -8.4 -32.6 11.2 105 111 A V H X S+ 0 0 52 -4,-2.4 4,-2.2 1,-0.2 -2,-0.2 0.935 112.7 48.6 -50.0 -49.5 -9.8 -35.4 13.5 106 112 A E H X S+ 0 0 77 -4,-2.3 4,-2.8 1,-0.2 5,-0.3 0.872 106.3 55.4 -61.4 -41.2 -6.6 -37.4 12.8 107 113 A W H X S+ 0 0 43 -4,-2.1 4,-2.8 1,-0.2 5,-0.3 0.941 110.3 47.1 -57.4 -45.9 -4.2 -34.5 13.5 108 114 A Y H X S+ 0 0 20 -4,-2.2 4,-2.9 1,-0.2 5,-0.3 0.913 110.9 50.9 -66.2 -42.6 -5.8 -34.1 16.9 109 115 A T H X S+ 0 0 91 -4,-2.2 4,-2.2 -5,-0.2 -2,-0.2 0.941 115.9 40.8 -59.5 -47.1 -5.6 -37.8 17.7 110 116 A K H X S+ 0 0 90 -4,-2.8 4,-2.2 2,-0.2 5,-0.2 0.953 117.2 47.5 -70.6 -46.1 -2.0 -38.1 16.8 111 117 A S H X S+ 0 0 6 -4,-2.8 4,-2.3 -5,-0.3 -2,-0.2 0.958 116.1 44.0 -54.9 -53.3 -1.0 -34.8 18.4 112 118 A H H X S+ 0 0 15 -4,-2.9 4,-1.9 -5,-0.3 -1,-0.2 0.815 108.7 57.5 -71.8 -32.1 -2.8 -35.5 21.6 113 119 A G H X S+ 0 0 36 -4,-2.2 4,-1.7 -5,-0.3 -1,-0.2 0.919 110.6 44.7 -53.4 -46.7 -1.5 -39.2 21.7 114 120 A L H X S+ 0 0 22 -4,-2.2 4,-1.2 1,-0.2 -2,-0.2 0.900 111.3 52.3 -70.3 -40.2 2.1 -37.8 21.7 115 121 A L H <>S+ 0 0 0 -4,-2.3 5,-0.6 -5,-0.2 4,-0.3 0.899 108.0 51.4 -62.1 -41.0 1.4 -35.1 24.3 116 122 A I H ><5S+ 0 0 57 -4,-1.9 3,-2.4 1,-0.2 -1,-0.2 0.953 106.0 55.4 -60.8 -48.0 -0.2 -37.6 26.7 117 123 A E H 3<5S+ 0 0 146 -4,-1.7 -1,-0.2 1,-0.3 -2,-0.2 0.790 101.8 58.8 -54.5 -30.9 2.9 -39.9 26.4 118 124 A Q T 3<5S- 0 0 49 -4,-1.2 -1,-0.3 -3,-0.2 -2,-0.2 0.602 101.0-138.6 -73.5 -11.6 5.1 -36.9 27.4 119 125 A G T < 5 - 0 0 25 -3,-2.4 -3,-0.1 -4,-0.3 -2,-0.1 0.951 18.6-156.5 47.9 62.8 3.2 -36.6 30.7 120 126 A I < - 0 0 0 -5,-0.6 74,-2.5 73,-0.1 2,-0.4 -0.520 12.8-130.8 -67.0 125.8 2.9 -32.8 30.9 121 127 A P B > -I 193 0D 37 0, 0.0 3,-1.5 0, 0.0 4,-0.4 -0.693 1.9-138.8 -83.2 132.4 2.5 -31.7 34.5 122 128 A K G > S+ 0 0 118 70,-2.2 3,-1.6 -2,-0.4 4,-0.4 0.852 101.3 60.3 -46.3 -42.6 -0.2 -29.3 35.3 123 129 A A G 3 S+ 0 0 79 69,-0.4 4,-0.3 1,-0.3 -1,-0.2 0.675 100.6 55.5 -70.0 -18.1 2.1 -27.3 37.6 124 130 A K G <> S+ 0 0 81 -3,-1.5 4,-2.5 1,-0.1 -1,-0.3 0.542 80.3 89.1 -87.8 -9.6 4.5 -26.5 34.9 125 131 A L H <> S+ 0 0 9 -3,-1.6 4,-2.9 -4,-0.4 5,-0.3 0.922 84.3 57.4 -59.6 -40.0 2.0 -24.9 32.5 126 132 A K H > S+ 0 0 127 -4,-0.4 4,-2.7 1,-0.2 -1,-0.2 0.932 111.6 39.5 -52.6 -53.1 2.6 -21.5 34.1 127 133 A E H > S+ 0 0 95 -4,-0.3 4,-2.4 2,-0.2 -1,-0.2 0.898 113.0 55.4 -63.6 -46.0 6.4 -21.6 33.3 128 134 A I H X S+ 0 0 11 -4,-2.5 4,-0.6 1,-0.2 -2,-0.2 0.961 112.9 42.7 -53.6 -50.3 5.9 -23.1 29.9 129 135 A V H >< S+ 0 0 6 -4,-2.9 3,-1.3 1,-0.2 5,-0.3 0.928 111.8 53.5 -64.1 -48.1 3.5 -20.2 29.0 130 136 A A H 3< S+ 0 0 60 -4,-2.7 -1,-0.2 -5,-0.3 -2,-0.2 0.865 113.5 43.6 -56.5 -34.4 5.8 -17.6 30.6 131 137 A D H 3< S+ 0 0 118 -4,-2.4 -1,-0.3 -5,-0.1 -2,-0.2 0.521 98.1 100.5 -85.0 -7.1 8.8 -18.8 28.5 132 138 A S S << S- 0 0 29 -3,-1.3 -68,-0.1 -4,-0.6 -3,-0.1 -0.196 77.2-125.0 -75.6 172.0 6.7 -19.2 25.3 133 139 A D + 0 0 135 2,-0.0 -1,-0.1 -69,-0.0 -3,-0.1 0.070 57.4 143.7 -98.6 20.0 6.6 -16.7 22.4 134 140 A V - 0 0 30 -5,-0.3 2,-0.4 -76,-0.1 -74,-0.1 -0.317 27.2-171.1 -63.9 144.0 2.8 -16.3 22.4 135 141 A M - 0 0 57 -76,-0.3 -85,-3.4 -85,-0.2 2,-0.2 -0.975 15.9-142.5-140.4 133.3 1.5 -12.8 21.6 136 142 A L B -G 49 0B 14 -2,-0.4 -87,-0.3 -87,-0.3 3,-0.1 -0.510 41.8 -88.4 -84.4 157.6 -1.9 -11.3 21.8 137 143 A K > - 0 0 0 -89,-2.7 3,-1.6 -2,-0.2 142,-0.3 -0.228 51.9 -87.1 -67.7 149.5 -3.0 -8.9 19.1 138 144 A E B 3 S+j 279 0E 115 140,-2.6 142,-3.0 1,-0.2 143,-0.2 -0.342 116.3 30.8 -54.2 136.6 -2.3 -5.2 19.5 139 145 A G T 3> S+ 0 0 16 140,-0.2 4,-2.3 141,-0.1 -1,-0.2 0.517 75.8 130.6 87.6 6.0 -5.1 -3.5 21.4 140 146 A Y H <> + 0 0 56 -3,-1.6 4,-2.6 1,-0.2 5,-0.4 0.866 67.7 57.1 -60.6 -37.3 -5.9 -6.6 23.5 141 147 A E H > S+ 0 0 108 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.921 111.8 41.4 -58.2 -47.7 -5.9 -4.6 26.8 142 148 A N H > S+ 0 0 120 2,-0.2 4,-2.3 3,-0.2 5,-0.3 0.824 113.2 55.3 -71.5 -37.6 -8.5 -2.1 25.6 143 149 A F H X S+ 0 0 0 -4,-2.3 4,-2.0 2,-0.2 -2,-0.2 0.990 119.3 30.2 -53.0 -65.8 -10.6 -4.9 24.0 144 150 A F H X S+ 0 0 1 -4,-2.6 4,-2.4 2,-0.2 5,-0.2 0.886 120.6 55.7 -65.3 -33.8 -10.8 -7.0 27.2 145 151 A G H X S+ 0 0 29 -4,-2.4 4,-2.5 -5,-0.4 -3,-0.2 0.950 110.0 43.3 -64.6 -51.5 -10.7 -3.9 29.4 146 152 A K H X S+ 0 0 43 -4,-2.3 4,-1.2 2,-0.2 -1,-0.2 0.910 114.3 50.9 -58.5 -45.6 -13.7 -2.2 27.7 147 153 A L H <>S+ 0 0 0 -4,-2.0 5,-2.8 -5,-0.3 3,-0.5 0.933 112.9 45.2 -59.9 -47.6 -15.7 -5.4 27.6 148 154 A Q H ><5S+ 0 0 61 -4,-2.4 3,-1.7 1,-0.2 -2,-0.2 0.919 106.4 60.7 -65.2 -40.9 -15.1 -6.0 31.4 149 155 A Q H 3<5S+ 0 0 139 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.814 113.7 36.3 -54.3 -34.3 -15.9 -2.4 32.3 150 156 A H T 3<5S- 0 0 67 -4,-1.2 -1,-0.3 -3,-0.5 -2,-0.2 0.253 112.0-116.8-107.0 12.6 -19.4 -2.8 30.8 151 157 A G T < 5 + 0 0 51 -3,-1.7 -3,-0.2 1,-0.2 -2,-0.1 0.850 50.6 173.4 61.1 32.8 -19.9 -6.4 32.0 152 158 A I < - 0 0 2 -5,-2.8 -1,-0.2 -6,-0.2 -113,-0.1 -0.621 35.0-118.5 -79.5 122.7 -20.2 -7.7 28.3 153 159 A P - 0 0 22 0, 0.0 -113,-3.0 0, 0.0 2,-0.5 -0.406 30.7-168.3 -58.2 131.8 -20.3 -11.4 28.1 154 160 A V E -cd 40 179A 0 24,-2.6 26,-2.8 -115,-0.2 2,-0.6 -0.990 5.3-167.2-125.4 123.5 -17.3 -12.8 26.1 155 161 A F E -cd 41 180A 0 -115,-2.6 -113,-3.0 -2,-0.5 2,-0.7 -0.942 5.3-161.6-113.2 109.0 -17.4 -16.6 25.0 156 162 A I E -cd 42 181A 0 24,-3.4 26,-2.9 -2,-0.6 2,-0.6 -0.866 8.3-173.0 -93.7 116.8 -14.0 -17.7 23.8 157 163 A F E + d 0 182A 0 -115,-2.5 2,-0.4 -2,-0.7 -113,-0.3 -0.896 12.9 170.1-119.4 100.2 -14.6 -20.9 21.8 158 164 A S E - 0 0 1 24,-2.4 26,-0.3 -2,-0.6 4,-0.1 -0.911 40.4-155.2-126.1 135.2 -11.3 -22.5 20.8 159 165 A A E S+ 0 0 9 -2,-0.4 45,-0.1 24,-0.1 24,-0.1 0.128 80.6 87.7 -87.5 20.2 -10.3 -25.8 19.3 160 166 A G E S- 0 0 0 43,-0.1 24,-0.7 1,-0.1 2,-0.5 0.362 99.4 -60.3 -87.6-138.5 -6.9 -25.3 21.0 161 167 A I E > - d 0 184A 0 1,-0.1 4,-2.5 22,-0.1 24,-0.2 -0.976 39.2-152.5-114.8 122.0 -6.0 -26.4 24.6 162 168 A G H > S+ 0 0 0 22,-2.1 4,-2.9 -2,-0.5 5,-0.2 0.882 92.3 52.3 -61.1 -42.5 -8.1 -24.7 27.4 163 169 A D H > S+ 0 0 21 21,-0.4 4,-1.8 1,-0.2 -1,-0.2 0.898 113.1 44.4 -64.7 -37.7 -5.5 -24.9 30.1 164 170 A V H > S+ 0 0 0 -3,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.931 112.8 50.7 -71.3 -47.2 -2.9 -23.2 28.0 165 171 A L H X S+ 0 0 0 -4,-2.5 4,-2.4 1,-0.2 5,-0.3 0.947 110.2 50.0 -55.3 -51.9 -5.3 -20.5 26.7 166 172 A E H X S+ 0 0 43 -4,-2.9 4,-2.8 1,-0.2 -1,-0.2 0.920 110.1 51.0 -53.8 -43.3 -6.4 -19.7 30.2 167 173 A E H X S+ 0 0 15 -4,-1.8 4,-2.8 -5,-0.2 -1,-0.2 0.890 107.4 53.6 -66.1 -34.6 -2.8 -19.3 31.3 168 174 A V H X S+ 0 0 7 -4,-2.5 4,-1.5 2,-0.2 -2,-0.2 0.973 115.3 38.4 -65.3 -48.4 -2.0 -17.0 28.4 169 175 A I H <>S+ 0 0 0 -4,-2.4 5,-2.3 2,-0.2 6,-0.7 0.887 113.7 56.5 -73.6 -32.0 -4.8 -14.6 29.2 170 176 A R H ><5S+ 0 0 120 -4,-2.8 3,-1.8 -5,-0.3 -2,-0.2 0.963 109.5 45.8 -57.5 -50.5 -4.3 -15.0 33.0 171 177 A Q H 3<5S+ 0 0 83 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.784 109.7 54.9 -67.6 -26.8 -0.6 -13.9 32.6 172 178 A A T 3<5S- 0 0 34 -4,-1.5 -1,-0.3 -5,-0.2 -2,-0.2 0.535 112.4-122.1 -83.0 -0.0 -1.7 -11.0 30.4 173 179 A G T < 5S+ 0 0 57 -3,-1.8 -3,-0.2 -4,-0.4 -2,-0.1 0.745 85.7 102.9 68.4 27.9 -4.0 -9.8 33.1 174 180 A V < + 0 0 6 -5,-2.3 2,-2.2 1,-0.1 -4,-0.2 0.290 34.2 110.8-124.6 11.3 -7.2 -10.0 30.9 175 181 A Y + 0 0 65 -6,-0.7 -1,-0.1 -5,-0.2 -5,-0.0 -0.500 54.2 171.8 -83.5 74.8 -8.9 -13.1 32.1 176 182 A H > - 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