==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=8-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 14-JAN-03 1NNY . COMPND 2 MOLECULE: PROTEIN-TYROSINE PHOSPHATASE, NON-RECEPTOR TYPE . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR B.G.SZCZEPANKIEWICZ,G.LIU,P.J.HAJDUK,C.ABAD-ZAPATERO,Z.PEI, . 282 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13397.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 191 67.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 16 5.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 38 13.5 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.7 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 . 24 8.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 23 8.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 79 28.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 2.1 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 0 0 0 0 2 0 1 1 1 0 0 0 0 1 0 1 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 0 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 0 0 0 PARALLEL BRIDGES PER LADDER . 1 1 1 0 0 1 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 1 0 0 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 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 2 A E 0 0 157 0, 0.0 241,-0.1 0, 0.0 240,-0.0 0.000 360.0 360.0 360.0 179.0 23.9 9.2 42.0 2 3 A M > + 0 0 9 3,-0.1 4,-2.1 242,-0.1 5,-0.2 0.499 360.0 70.2-128.9 -30.7 26.3 10.5 39.4 3 4 A E H > S+ 0 0 88 1,-0.2 4,-1.1 2,-0.2 3,-0.2 0.956 108.3 33.3 -55.3 -59.9 28.8 7.6 39.3 4 5 A K H > S+ 0 0 96 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.834 111.7 64.6 -69.0 -31.9 26.4 5.1 37.7 5 6 A E H > S+ 0 0 36 1,-0.3 4,-2.4 2,-0.2 5,-0.3 0.910 100.0 52.5 -56.6 -41.2 24.8 7.8 35.7 6 7 A F H X S+ 0 0 25 -4,-2.1 4,-2.3 -3,-0.2 -1,-0.3 0.893 109.3 51.7 -59.5 -40.6 28.2 8.3 34.0 7 8 A E H X S+ 0 0 91 -4,-1.1 4,-2.9 2,-0.2 -2,-0.2 0.988 113.0 41.7 -57.7 -64.8 28.0 4.6 33.2 8 9 A Q H < S+ 0 0 108 -4,-2.7 6,-0.2 1,-0.2 -2,-0.2 0.950 118.7 43.6 -47.3 -67.5 24.6 4.6 31.7 9 10 A I H ><>S+ 0 0 12 -4,-2.4 5,-2.3 1,-0.2 3,-1.1 0.899 117.0 48.0 -46.5 -51.8 25.0 7.8 29.6 10 11 A D H ><5S+ 0 0 52 -4,-2.3 3,-2.0 -5,-0.3 2,-1.0 0.967 110.1 47.6 -57.4 -62.1 28.5 6.8 28.5 11 12 A K T 3<5S+ 0 0 150 -4,-2.9 -1,-0.3 1,-0.3 -2,-0.1 0.018 114.2 52.8 -73.7 34.4 27.8 3.2 27.4 12 13 A S T < 5S- 0 0 77 -3,-1.1 -1,-0.3 -2,-1.0 -2,-0.2 0.308 104.3-121.4-144.2 -2.5 24.7 4.6 25.5 13 14 A G T < 5 + 0 0 63 -3,-2.0 4,-0.4 -4,-0.3 3,-0.2 0.860 68.6 140.4 56.4 34.0 26.2 7.3 23.4 14 15 A S >< + 0 0 37 -5,-2.3 4,-2.4 -6,-0.2 5,-0.2 0.589 37.6 90.6 -83.6 -13.3 23.8 9.5 25.3 15 16 A W H > S+ 0 0 20 -6,-0.4 4,-2.7 1,-0.2 5,-0.3 0.917 83.9 49.4 -49.8 -57.0 26.1 12.5 25.7 16 17 A A H > S+ 0 0 62 -3,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.898 112.9 49.8 -52.1 -42.7 25.3 14.3 22.5 17 18 A A H > S+ 0 0 59 -4,-0.4 4,-1.6 2,-0.2 -1,-0.2 0.922 111.6 46.4 -63.7 -47.1 21.6 14.0 23.4 18 19 A I H >X S+ 0 0 20 -4,-2.4 4,-2.5 2,-0.2 3,-0.5 0.958 108.8 54.7 -60.4 -53.9 22.0 15.3 26.9 19 20 A Y H 3X S+ 0 0 12 -4,-2.7 4,-2.8 1,-0.3 -1,-0.2 0.903 108.5 49.8 -46.1 -48.4 24.1 18.2 25.9 20 21 A Q H 3X S+ 0 0 97 -4,-1.9 4,-3.0 -5,-0.3 -1,-0.3 0.868 106.8 54.8 -60.8 -36.9 21.4 19.3 23.5 21 22 A D H + 0 0 4 -2,-0.3 4,-1.6 20,-0.3 20,-0.1 -0.385 32.1 145.4-113.5 50.7 22.7 41.3 26.4 32 33 A R T 4 + 0 0 194 1,-0.2 3,-0.5 2,-0.2 4,-0.5 0.928 69.6 48.7 -52.6 -55.3 21.6 44.8 25.5 33 34 A V T >4 S+ 0 0 28 1,-0.2 3,-1.0 -3,-0.2 -1,-0.2 0.865 109.1 54.8 -56.7 -39.2 24.8 46.5 26.6 34 35 A A T 34 S+ 0 0 2 16,-0.4 -1,-0.2 1,-0.2 -2,-0.2 0.849 107.3 49.7 -64.2 -35.6 26.9 44.0 24.8 35 36 A K T 3< S+ 0 0 149 -4,-1.6 -1,-0.2 -3,-0.5 -2,-0.2 0.413 78.6 122.3 -88.2 2.7 25.2 44.6 21.5 36 37 A L S X S- 0 0 63 -3,-1.0 3,-1.7 -4,-0.5 4,-0.3 -0.399 71.2-123.2 -62.4 139.9 25.5 48.4 21.6 37 38 A P G > S+ 0 0 104 0, 0.0 3,-1.9 0, 0.0 4,-0.3 0.869 107.9 61.2 -53.9 -40.8 27.4 49.6 18.5 38 39 A K G 3 S+ 0 0 132 1,-0.3 3,-0.2 2,-0.1 -2,-0.1 0.655 105.0 49.5 -64.1 -14.3 30.1 51.4 20.5 39 40 A N G X> S+ 0 0 0 -3,-1.7 3,-2.7 1,-0.1 4,-0.5 0.367 75.7 106.5-104.5 4.2 31.1 48.1 22.1 40 41 A K G X4 S+ 0 0 150 -3,-1.9 3,-1.0 1,-0.3 -1,-0.1 0.878 82.3 48.4 -51.0 -40.7 31.4 46.1 18.8 41 42 A N G 34 S+ 0 0 99 -4,-0.3 -1,-0.3 1,-0.2 48,-0.2 0.252 100.3 66.3 -87.1 15.4 35.1 46.2 19.1 42 43 A R G <4 S+ 0 0 22 -3,-2.7 25,-0.5 -8,-0.2 2,-0.5 0.435 90.3 78.1-107.9 -5.3 35.1 45.0 22.8 43 44 A N << - 0 0 25 -3,-1.0 3,-0.1 -4,-0.5 6,-0.1 -0.906 60.6-161.7-110.8 130.8 33.7 41.6 21.8 44 45 A R S S+ 0 0 47 -2,-0.5 2,-0.4 1,-0.2 -1,-0.1 0.906 84.1 27.2 -73.7 -44.4 35.8 38.8 20.3 45 46 A Y > - 0 0 70 3,-0.4 3,-1.7 1,-0.1 -1,-0.2 -0.985 67.9-144.9-125.1 131.4 32.9 36.8 18.9 46 47 A R T 3 S+ 0 0 233 -2,-0.4 -1,-0.1 1,-0.3 3,-0.1 0.753 103.2 53.6 -63.4 -24.5 29.6 38.4 17.9 47 48 A D T 3 S+ 0 0 132 1,-0.1 2,-0.4 -3,-0.0 -1,-0.3 0.231 96.9 72.4 -96.7 15.2 27.8 35.2 19.2 48 49 A V < + 0 0 10 -3,-1.7 -3,-0.4 2,-0.0 -4,-0.2 -0.828 62.8 153.9-131.5 95.1 29.3 35.3 22.7 49 50 A S - 0 0 5 -2,-0.4 208,-0.6 -6,-0.1 2,-0.3 -0.866 42.2-113.7-125.4 156.8 28.0 38.0 24.9 50 51 A P - 0 0 0 0, 0.0 -16,-0.4 0, 0.0 5,-0.1 -0.659 36.2-114.1 -84.1 138.9 27.5 38.7 28.7 51 52 A F > - 0 0 2 204,-0.5 4,-0.5 -2,-0.3 3,-0.4 -0.451 23.7-126.7 -66.2 146.1 23.9 38.9 30.0 52 53 A D T >4 S+ 0 0 37 -22,-3.0 3,-0.9 1,-0.2 -1,-0.1 0.898 105.2 59.8 -63.1 -38.5 23.2 42.4 31.3 53 54 A H T 34 S+ 0 0 110 -23,-0.4 -1,-0.2 1,-0.2 202,-0.1 0.853 118.0 27.8 -62.3 -31.1 22.1 41.2 34.7 54 55 A S T 34 S+ 0 0 12 -3,-0.4 16,-2.5 201,-0.1 -1,-0.2 0.206 88.3 127.3-116.7 17.1 25.4 39.6 35.5 55 56 A R B << -A 69 0A 32 -3,-0.9 2,-0.5 -4,-0.5 14,-0.2 -0.376 60.8-117.3 -73.8 153.0 27.9 41.6 33.5 56 57 A I - 0 0 8 12,-2.1 2,-0.4 10,-0.3 10,-0.3 -0.775 27.8-145.3 -90.0 131.9 31.0 43.0 35.2 57 58 A K - 0 0 120 -2,-0.5 2,-0.2 8,-0.1 8,-0.2 -0.830 6.5-133.4-102.6 137.2 31.1 46.8 35.1 58 59 A L - 0 0 4 6,-2.3 39,-0.1 -2,-0.4 35,-0.0 -0.591 20.6-126.6 -80.7 146.3 34.3 48.8 34.8 59 60 A H S S+ 0 0 124 -2,-0.2 2,-0.2 37,-0.1 -1,-0.1 0.197 77.5 104.7 -82.3 18.5 34.5 51.7 37.3 60 61 A Q - 0 0 47 3,-0.2 -2,-0.1 1,-0.1 77,-0.0 -0.625 67.4-140.5 -94.5 158.9 35.3 54.2 34.6 61 62 A E S S+ 0 0 201 -2,-0.2 3,-0.2 2,-0.1 -1,-0.1 0.637 89.5 70.3 -93.6 -17.0 32.6 56.7 33.4 62 63 A D S S- 0 0 134 1,-0.3 2,-0.4 2,-0.0 -1,-0.1 0.998 123.8 -20.6 -60.3 -75.6 33.5 56.6 29.7 63 64 A N - 0 0 13 2,-0.1 -1,-0.3 1,-0.0 -3,-0.2 -0.966 56.7-166.9-140.4 117.9 32.3 53.0 28.8 64 65 A D + 0 0 48 -2,-0.4 -6,-2.3 -3,-0.2 2,-0.2 0.260 48.9 123.1 -92.2 13.4 32.0 50.5 31.6 65 66 A Y + 0 0 0 -8,-0.2 2,-0.3 -32,-0.1 -8,-0.1 -0.515 22.9 151.4 -85.1 143.7 31.7 47.5 29.3 66 67 A I - 0 0 7 -10,-0.3 2,-1.7 -2,-0.2 -10,-0.3 -0.938 52.7-107.6-159.3 144.9 33.8 44.4 29.1 67 68 A N S S+ 0 0 0 -25,-0.5 17,-1.5 -2,-0.3 2,-0.3 -0.615 76.2 117.7 -81.1 88.3 32.9 41.0 28.0 68 69 A A E - B 0 83A 0 -2,-1.7 -12,-2.1 15,-0.2 2,-0.4 -0.966 44.9-157.6-157.9 136.9 32.8 39.3 31.4 69 70 A S E -AB 55 82A 0 13,-2.8 13,-2.3 -2,-0.3 2,-0.8 -0.904 16.1-134.4-119.2 146.2 30.2 37.6 33.6 70 71 A L E - B 0 81A 51 -16,-2.5 2,-0.7 -2,-0.4 11,-0.2 -0.858 16.3-160.3 -99.5 105.0 30.0 37.0 37.3 71 72 A I E - B 0 80A 0 9,-2.9 9,-2.3 -2,-0.8 2,-0.7 -0.787 11.0-169.2 -86.4 114.4 29.0 33.4 38.1 72 73 A K E - B 0 79A 126 -2,-0.7 2,-0.9 7,-0.2 7,-0.2 -0.906 6.0-163.7-111.3 104.3 27.7 33.6 41.6 73 74 A M E >> - B 0 78A 14 5,-2.6 5,-1.7 -2,-0.7 4,-0.8 -0.804 4.5-172.9 -94.5 106.6 27.1 30.1 43.1 74 75 A E T 45S+ 0 0 176 -2,-0.9 -1,-0.2 3,-0.2 3,-0.1 0.940 79.8 41.6 -63.0 -54.2 25.0 30.5 46.2 75 76 A E T 45S+ 0 0 90 1,-0.2 -1,-0.2 2,-0.1 -2,-0.1 0.913 121.1 40.7 -65.8 -44.3 25.0 27.0 47.6 76 77 A A T 45S- 0 0 3 2,-0.1 -1,-0.2 160,-0.0 -2,-0.2 0.621 102.9-136.1 -78.6 -11.4 28.7 26.3 47.0 77 78 A Q T <5 + 0 0 140 -4,-0.8 2,-0.3 1,-0.2 -3,-0.2 0.966 59.0 127.4 53.6 57.3 29.5 29.8 48.1 78 79 A R E < -B 73 0A 33 -5,-1.7 -5,-2.6 126,-0.0 2,-0.4 -0.995 41.9-159.9-146.0 135.6 31.9 30.4 45.3 79 80 A S E -B 72 0A 38 -2,-0.3 131,-0.8 124,-0.3 2,-0.3 -0.904 8.7-178.9-116.9 147.3 32.2 33.2 42.7 80 81 A Y E -Bc 71 210A 0 -9,-2.3 -9,-2.9 -2,-0.4 2,-0.6 -0.994 21.2-144.9-141.4 144.3 34.0 33.3 39.3 81 82 A I E -Bc 70 211A 0 129,-3.0 131,-3.4 -2,-0.3 2,-0.5 -0.962 19.9-165.9-110.4 112.7 34.4 35.9 36.7 82 83 A L E +Bc 69 212A 0 -13,-2.3 -13,-2.8 -2,-0.6 2,-0.3 -0.882 18.0 165.8 -97.3 130.7 34.4 34.2 33.3 83 84 A T E -Bc 68 213A 2 129,-2.4 131,-0.5 -2,-0.5 -15,-0.2 -0.899 37.5 -99.0-140.3 166.7 35.7 36.5 30.5 84 85 A Q - 0 0 5 -17,-1.5 132,-0.2 -2,-0.3 131,-0.2 -0.490 54.4 -86.5 -82.2 158.3 36.8 36.2 26.9 85 86 A G - 0 0 0 130,-1.9 -1,-0.1 34,-0.3 -41,-0.1 -0.499 64.2 -97.8 -61.3 131.2 40.5 36.1 26.2 86 87 A P - 0 0 1 0, 0.0 35,-2.7 0, 0.0 -1,-0.1 -0.105 33.1-131.9 -53.4 151.0 41.4 39.9 25.9 87 88 A L >> - 0 0 23 33,-0.2 3,-2.4 -45,-0.1 4,-0.6 -0.577 33.2 -97.6 -98.5 161.6 41.6 41.7 22.6 88 89 A P T 34 S+ 0 0 114 0, 0.0 3,-0.3 0, 0.0 4,-0.2 0.832 128.5 40.5 -50.3 -33.0 44.5 44.0 21.6 89 90 A N T 34 S+ 0 0 68 -48,-0.2 4,-0.2 1,-0.2 -48,-0.0 0.358 111.9 55.1 -99.1 6.7 42.4 46.9 22.6 90 91 A T T <> S+ 0 0 7 -3,-2.4 4,-2.4 2,-0.1 -1,-0.2 0.279 74.0 96.4-120.3 13.0 40.8 45.4 25.8 91 92 A C H X S+ 0 0 12 -4,-0.6 4,-2.3 -3,-0.3 5,-0.2 0.902 87.1 49.6 -67.7 -40.6 44.0 44.4 27.7 92 93 A G H > S+ 0 0 3 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.919 112.1 48.2 -62.8 -42.8 43.8 47.6 29.7 93 94 A H H > S+ 0 0 11 2,-0.2 4,-2.6 1,-0.2 -2,-0.2 0.895 108.9 55.4 -62.6 -41.3 40.1 46.9 30.5 94 95 A F H X S+ 0 0 2 -4,-2.4 4,-2.3 1,-0.2 -2,-0.2 0.944 111.7 41.1 -57.4 -52.7 41.0 43.4 31.5 95 96 A W H X S+ 0 0 0 -4,-2.3 4,-2.1 1,-0.2 -1,-0.2 0.757 111.1 57.4 -70.1 -24.2 43.5 44.4 34.1 96 97 A E H X S+ 0 0 14 -4,-1.7 4,-2.8 -5,-0.2 5,-0.3 0.908 107.1 50.1 -70.0 -40.7 41.3 47.3 35.2 97 98 A M H X S+ 0 0 0 -4,-2.6 4,-2.8 2,-0.2 6,-0.3 0.970 108.7 50.7 -60.3 -53.3 38.7 44.6 35.9 98 99 A V H <>S+ 0 0 0 -4,-2.3 5,-1.8 1,-0.2 4,-0.2 0.917 114.6 45.1 -50.5 -46.5 41.2 42.4 37.9 99 100 A W H ><5S+ 0 0 26 -4,-2.1 3,-1.8 1,-0.2 -2,-0.2 0.980 115.0 44.5 -61.9 -58.2 42.2 45.4 40.0 100 101 A E H 3<5S+ 0 0 35 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.826 114.8 48.8 -57.6 -36.3 38.7 46.8 40.7 101 102 A Q T 3<5S- 0 0 46 -4,-2.8 -1,-0.3 -5,-0.3 -2,-0.2 0.395 106.4-129.6 -86.3 3.9 37.3 43.3 41.5 102 103 A K T < 5 + 0 0 132 -3,-1.8 106,-2.7 -4,-0.2 -3,-0.2 0.791 42.5 175.6 53.5 32.5 40.2 42.7 43.8 103 104 A S B < -i 208 0B 1 -5,-1.8 -1,-0.2 -6,-0.3 107,-0.1 -0.329 24.0-166.2 -66.8 153.7 40.9 39.4 42.1 104 105 A R + 0 0 55 104,-0.6 67,-2.2 98,-0.3 2,-0.3 0.690 68.0 39.1-109.7 -35.2 44.0 37.5 43.3 105 106 A G E -d 171 0A 0 97,-0.4 106,-1.9 103,-0.3 2,-0.4 -0.906 55.6-158.4-126.7 152.5 44.2 34.9 40.5 106 107 A V E -de 172 211A 0 65,-2.4 67,-3.4 -2,-0.3 2,-0.6 -0.993 14.9-156.5-122.2 125.6 43.8 34.7 36.7 107 108 A V E -de 173 212A 0 104,-3.6 106,-2.2 -2,-0.4 2,-0.5 -0.933 9.2-172.7-110.1 119.3 43.1 31.3 35.2 108 109 A M E +de 174 213A 0 65,-3.2 67,-3.0 -2,-0.6 106,-0.2 -0.932 11.5 178.8-113.8 123.1 44.0 30.8 31.5 109 110 A L + 0 0 0 104,-2.0 2,-0.2 -2,-0.5 105,-0.2 0.245 61.5 50.9-108.5 15.6 43.1 27.6 29.7 110 111 A N S S- 0 0 2 103,-0.3 2,-0.3 104,-0.2 4,-0.0 -0.796 78.0-104.9-139.3-179.0 44.4 28.3 26.2 111 112 A R - 0 0 68 -2,-0.2 8,-0.3 1,-0.1 3,-0.1 -0.791 31.7-115.1-109.8 152.5 47.5 29.4 24.2 112 113 A V S S+ 0 0 33 -2,-0.3 7,-2.6 1,-0.2 8,-1.0 0.884 109.1 31.9 -54.6 -37.0 47.9 32.8 22.7 113 114 A M E S+J 118 0C 100 5,-0.2 2,-0.3 6,-0.2 5,-0.2 -0.982 70.2 162.6-126.8 127.8 48.0 31.0 19.3 114 115 A E E > +J 117 0C 7 3,-2.0 3,-1.6 -2,-0.5 66,-0.0 -0.997 68.7 3.7-139.7 138.7 46.1 27.8 18.5 115 116 A K T 3 S- 0 0 132 -2,-0.3 -1,-0.1 1,-0.3 3,-0.1 0.875 128.7 -57.7 55.4 40.7 45.2 26.4 15.1 116 117 A G T 3 S+ 0 0 68 1,-0.2 2,-0.3 -3,-0.1 -1,-0.3 0.485 119.5 80.9 74.2 1.4 47.2 29.1 13.2 117 118 A S E < S-J 114 0C 54 -3,-1.6 -3,-2.0 0, 0.0 2,-0.4 -0.911 86.1 -89.9-136.6 166.7 45.4 32.1 14.6 118 119 A L E +J 113 0C 107 -2,-0.3 -5,-0.2 -5,-0.2 3,-0.1 -0.593 32.8 175.7 -79.1 130.0 45.3 34.2 17.7 119 120 A K S S+ 0 0 32 -7,-2.6 -34,-0.3 1,-0.4 2,-0.3 0.516 72.5 4.8-107.7 -9.5 42.9 33.1 20.4 120 121 A C S S- 0 0 1 -8,-1.0 -1,-0.4 -36,-0.1 -33,-0.2 -0.913 80.6-103.6-172.0 140.8 43.9 35.7 23.0 121 122 A A - 0 0 14 -35,-2.7 2,-1.8 -2,-0.3 3,-0.1 -0.356 41.7-103.4 -70.7 155.9 46.1 38.8 23.1 122 123 A Q + 0 0 58 1,-0.2 -1,-0.1 -10,-0.0 4,-0.1 -0.665 53.7 168.8 -78.7 88.8 49.5 38.6 24.9 123 124 A Y + 0 0 0 -2,-1.8 -1,-0.2 2,-0.1 -28,-0.1 0.480 51.7 54.6 -87.2 -3.5 48.1 40.4 27.8 124 125 A W S S- 0 0 6 -3,-0.1 2,-0.1 7,-0.0 18,-0.0 -0.936 90.9 -95.9-130.4 154.2 51.0 39.8 30.2 125 126 A P - 0 0 5 0, 0.0 6,-0.1 0, 0.0 -2,-0.1 -0.416 21.2-162.4 -68.7 135.8 54.8 40.4 30.1 126 127 A Q S S+ 0 0 129 4,-0.2 2,-0.4 -2,-0.1 5,-0.1 0.620 75.3 49.8 -94.0 -14.1 57.0 37.5 29.0 127 128 A K S > S- 0 0 121 3,-0.5 3,-1.3 1,-0.1 16,-0.4 -0.988 74.0-135.8-129.4 136.5 60.2 38.9 30.3 128 129 A E T 3 S+ 0 0 97 -2,-0.4 15,-0.2 1,-0.3 3,-0.1 0.854 107.6 49.0 -54.3 -40.4 61.0 40.4 33.8 129 130 A E T 3 S+ 0 0 131 1,-0.2 2,-0.7 13,-0.1 -1,-0.3 0.593 102.6 66.9 -79.5 -10.3 62.9 43.3 32.3 130 131 A K S < S- 0 0 147 -3,-1.3 -3,-0.5 13,-0.1 -1,-0.2 -0.747 71.0-179.1-113.6 84.9 60.1 44.2 29.8 131 132 A E - 0 0 91 -2,-0.7 2,-0.3 -3,-0.1 11,-0.2 -0.348 20.3-124.7 -81.6 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48.4 40.0 161 162 A N E >> -GH 139 166A 24 5,-3.0 4,-3.2 -2,-0.4 5,-0.8 -0.698 17.8-165.1 -85.5 93.1 47.8 51.2 40.0 162 163 A L T 45S+ 0 0 54 -2,-1.3 -1,-0.2 -24,-0.9 -23,-0.1 0.765 84.6 59.3 -50.5 -29.0 50.0 54.1 38.6 163 164 A T T 45S+ 0 0 104 -25,-0.7 -1,-0.2 1,-0.2 -24,-0.1 0.964 123.3 19.2 -66.0 -52.9 47.4 56.6 39.8 164 165 A T T 45S- 0 0 75 -3,-0.4 -2,-0.2 2,-0.1 -1,-0.2 0.532 98.9-129.8 -94.7 -10.0 47.6 55.6 43.5 165 166 A Q T <5 + 0 0 155 -4,-3.2 2,-0.3 1,-0.3 -3,-0.2 0.678 56.8 149.4 67.3 17.7 51.0 53.9 43.2 166 167 A E E < - H 0 161A 97 -5,-0.8 -5,-3.0 1,-0.0 2,-0.3 -0.657 32.2-154.5 -84.7 134.9 49.5 50.9 45.0 167 168 A T E - H 0 160A 71 -2,-0.3 2,-0.3 -7,-0.2 -7,-0.2 -0.816 13.2-179.8-111.8 153.6 51.0 47.5 44.1 168 169 A R E - H 0 159A 54 -9,-2.2 -9,-2.5 -2,-0.3 2,-0.3 -0.992 24.9-122.4-150.5 144.4 49.3 44.1 44.3 169 170 A E E - H 0 158A 81 -2,-0.3 2,-0.4 -11,-0.2 -11,-0.2 -0.717 26.0-169.9 -92.2 140.4 50.5 40.6 43.5 170 171 A I E - H 0 157A 1 -13,-3.2 -13,-2.8 -2,-0.3 2,-0.5 -0.994 14.2-142.1-132.8 135.8 48.6 38.4 41.0 171 172 A L E -dH 105 156A 15 -67,-2.2 -65,-2.4 -2,-0.4 2,-0.7 -0.832 10.2-154.8 -99.4 129.9 49.0 34.8 40.2 172 173 A H E -dH 106 155A 0 -17,-2.7 -17,-2.1 -2,-0.5 2,-0.9 -0.903 4.5-164.0-104.7 111.9 48.6 33.7 36.6 173 174 A F E -dH 107 154A 2 -67,-3.4 -65,-3.2 -2,-0.7 2,-0.7 -0.847 12.0-176.1-100.6 103.1 47.5 30.1 36.3 174 175 A H E -dH 108 153A 9 -21,-2.8 -21,-2.9 -2,-0.9 2,-0.8 -0.862 16.8-158.9-106.2 105.0 48.2 29.1 32.7 175 176 A Y E + H 0 152A 2 -67,-3.0 3,-0.3 -2,-0.7 -23,-0.2 -0.731 17.7 177.7 -80.5 113.3 47.2 25.6 31.6 176 177 A T + 0 0 36 -25,-0.9 -24,-0.2 -2,-0.8 -1,-0.1 0.411 59.9 61.7-101.7 1.1 49.4 25.2 28.6 177 178 A T + 0 0 60 -26,-1.1 -1,-0.2 -67,-0.0 3,-0.1 0.133 54.7 138.8-118.8 22.5 48.6 21.7 27.3 178 179 A W - 0 0 8 -3,-0.3 5,-0.1 -69,-0.1 -67,-0.1 -0.503 62.8-103.0 -63.9 132.8 45.0 21.6 26.4 179 180 A P - 0 0 37 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 0.031 17.2-116.8 -55.6 163.2 44.9 19.5 23.2 180 181 A D S S+ 0 0 87 1,-0.2 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0.897 108.8 50.0 -70.2 -41.9 43.6 19.3 34.7 191 192 A L H X S+ 0 0 7 -4,-3.1 4,-2.3 1,-0.2 -2,-0.2 0.929 110.0 50.1 -62.5 -44.5 42.6 18.2 38.2 192 193 A N H X S+ 0 0 62 -4,-2.5 4,-2.1 -5,-0.2 -1,-0.2 0.843 108.3 54.3 -63.4 -31.2 46.1 18.9 39.5 193 194 A F H X S+ 0 0 0 -4,-1.5 4,-2.1 2,-0.2 -1,-0.2 0.947 108.2 47.9 -65.9 -48.8 45.9 22.3 37.9 194 195 A L H X S+ 0 0 0 -4,-2.3 4,-3.0 1,-0.2 -2,-0.2 0.913 110.8 51.4 -56.9 -46.1 42.6 23.2 39.7 195 196 A F H X S+ 0 0 27 -4,-2.3 4,-3.5 1,-0.2 -1,-0.2 0.913 107.4 52.5 -61.7 -40.5 44.1 22.0 43.0 196 197 A K H X S+ 0 0 62 -4,-2.1 4,-1.3 1,-0.2 -1,-0.2 0.903 110.5 48.8 -62.6 -37.3 47.1 24.2 42.5 197 198 A V H <>S+ 0 0 0 -4,-2.1 5,-1.1 2,-0.2 4,-0.5 0.937 112.1 48.4 -67.5 -43.4 44.7 27.1 41.9 198 199 A R H ><5S+ 0 0 46 -4,-3.0 3,-2.4 1,-0.2 5,-0.3 0.959 106.5 57.1 -58.1 -51.7 42.8 26.2 45.1 199 200 A E H 3<5S+ 0 0 148 -4,-3.5 -1,-0.2 1,-0.3 -2,-0.2 0.788 97.9 62.0 -49.5 -35.9 46.0 25.9 47.1 200 201 A S T 3<5S- 0 0 32 -4,-1.3 -1,-0.3 -3,-0.3 -2,-0.2 0.688 108.8-122.2 -66.5 -20.4 47.0 29.5 46.3 201 202 A G T < 5S+ 0 0 12 -3,-2.4 3,-0.5 -4,-0.5 -3,-0.1 0.641 75.5 127.6 85.0 15.2 43.9 30.8 47.9 202 203 A S S S- 0 0 36 -3,-0.5 3,-1.4 -6,-0.2 -126,-0.0 -0.297 77.1-115.1 -79.4 157.3 38.9 31.9 48.5 205 206 A P T 3 S+ 0 0 114 0, 0.0 -1,-0.1 0, 0.0 -3,-0.0 0.660 105.2 68.4 -59.8 -25.8 36.5 34.5 50.1 206 207 A E T 3 S+ 0 0 138 -5,-0.1 2,-0.2 2,-0.1 -4,-0.0 0.487 101.9 55.6 -78.7 1.9 39.1 37.0 51.3 207 208 A H S < S- 0 0 69 -3,-1.4 -104,-0.2 -6,-0.1 3,-0.1 -0.752 96.4 -93.9-122.5 172.7 39.9 37.8 47.7 208 209 A G B -i 103 0B 11 -106,-2.7 -104,-0.6 -2,-0.2 -103,-0.3 -0.369 65.0 -72.0 -77.8 167.0 37.8 39.0 44.8 209 210 A P - 0 0 28 0, 0.0 -129,-0.2 0, 0.0 -1,-0.2 -0.243 55.7-103.6 -62.3 149.9 36.5 36.3 42.4 210 211 A V E -c 80 0A 0 -131,-0.8 -129,-3.0 -107,-0.1 2,-0.6 -0.302 27.6-127.2 -68.4 154.9 39.0 34.6 40.2 211 212 A V E -ce 81 106A 0 -106,-1.9 -104,-3.6 -131,-0.2 2,-0.4 -0.952 29.7-174.4-106.7 116.9 39.1 35.6 36.5 212 213 A V E +ce 82 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28.0 31.2 222 223 A G H > S+ 0 0 1 -4,-0.4 4,-2.9 1,-0.2 5,-0.2 0.917 105.5 50.8 -60.7 -45.1 33.0 26.3 31.9 223 224 A T H X S+ 0 0 0 -4,-1.6 4,-2.2 2,-0.2 5,-0.3 0.880 109.7 51.6 -61.8 -38.4 34.6 22.9 32.6 224 225 A F H X S+ 0 0 0 -4,-1.7 4,-2.4 2,-0.2 -2,-0.2 0.981 115.6 38.6 -61.4 -57.4 37.0 24.6 35.1 225 226 A C H X S+ 0 0 1 -4,-2.3 4,-2.9 1,-0.2 5,-0.2 0.917 116.1 52.7 -59.6 -47.8 34.2 26.4 37.1 226 227 A L H X S+ 0 0 0 -4,-2.9 4,-2.4 -5,-0.2 -1,-0.2 0.903 110.6 45.9 -57.1 -45.3 31.9 23.5 36.8 227 228 A A H X S+ 0 0 0 -4,-2.2 4,-2.4 -5,-0.2 5,-0.3 0.957 113.5 49.7 -65.0 -48.9 34.3 21.0 38.2 228 229 A D H X S+ 0 0 0 -4,-2.4 4,-2.6 -5,-0.3 -2,-0.2 0.937 113.8 44.7 -54.7 -51.2 35.4 23.2 41.0 229 230 A T H X S+ 0 0 0 -4,-2.9 4,-2.4 1,-0.2 -1,-0.2 0.899 113.2 49.6 -63.2 -42.5 31.8 24.0 42.1 230 231 A C H X S+ 0 0 0 -4,-2.4 4,-1.6 -5,-0.2 -1,-0.2 0.862 112.6 47.7 -64.2 -39.2 30.7 20.4 41.9 231 232 A L H X S+ 0 0 3 -4,-2.4 4,-1.1 -5,-0.2 3,-0.2 0.954 112.1 49.4 -65.5 -50.5 33.6 19.2 43.9 232 233 A L H >X S+ 0 0 24 -4,-2.6 4,-0.8 -5,-0.3 3,-0.6 0.884 108.7 53.4 -56.9 -40.9 33.1 21.9 46.5 233 234 A L H >X S+ 0 0 4 -4,-2.4 4,-1.3 1,-0.3 3,-0.8 0.878 103.0 57.0 -63.4 -37.9 29.4 20.9 46.7 234 235 A M H 3< S+ 0 0 28 -4,-1.6 -1,-0.3 1,-0.3 -2,-0.2 0.789 103.5 55.4 -63.7 -26.0 30.3 17.3 47.4 235 236 A D H << S+ 0 0 106 -4,-1.1 -1,-0.3 -3,-0.6 -2,-0.2 0.725 110.5 45.8 -75.2 -24.7 32.3 18.6 50.4 236 237 A K H << S+ 0 0 99 -3,-0.8 2,-0.3 -4,-0.8 -2,-0.2 0.624 97.6 81.9 -95.5 -17.0 29.2 20.3 51.8 237 238 A R < - 0 0 56 -4,-1.3 6,-0.0 1,-0.1 4,-0.0 -0.651 67.4-140.2 -99.5 152.5 26.6 17.7 51.4 238 239 A K S S+ 0 0 219 1,-0.3 -1,-0.1 -2,-0.3 -4,-0.0 0.884 106.9 41.2 -68.2 -38.6 25.7 14.7 53.6 239 240 A D S > S- 0 0 87 1,-0.1 3,-1.7 -3,-0.0 -1,-0.3 -0.851 71.2-175.7-112.9 93.8 25.1 12.8 50.4 240 241 A P G > S+ 0 0 51 0, 0.0 3,-1.1 0, 0.0 -1,-0.1 0.771 80.3 62.2 -58.2 -29.5 27.9 13.7 47.9 241 242 A S G 3 S+ 0 0 36 1,-0.2 -238,-0.1 -7,-0.1 -7,-0.0 0.479 85.9 75.3 -79.0 -0.8 26.4 11.6 45.1 242 243 A S G < + 0 0 53 -3,-1.7 2,-0.5 2,-0.1 -1,-0.2 0.621 65.6 113.0 -83.8 -12.9 23.2 13.7 45.1 243 244 A V < - 0 0 2 -3,-1.1 2,-0.9 -4,-0.2 -9,-0.0 -0.489 57.9-155.9 -64.5 110.7 25.1 16.5 43.3 244 245 A D > - 0 0 52 -2,-0.5 4,-2.1 1,-0.2 5,-0.2 -0.805 5.2-163.3 -93.4 102.7 23.5 16.7 39.9 245 246 A I H > S+ 0 0 3 -2,-0.9 4,-2.7 1,-0.2 5,-0.2 0.833 88.2 53.9 -57.5 -34.8 26.1 18.2 37.5 246 247 A K H > S+ 0 0 46 2,-0.2 4,-2.9 1,-0.2 5,-0.3 0.963 108.2 51.5 -62.9 -48.2 23.5 19.0 34.8 247 248 A K H > S+ 0 0 87 1,-0.2 4,-1.5 2,-0.2 -2,-0.2 0.908 112.0 47.0 -53.3 -44.5 21.5 20.9 37.4 248 249 A V H X S+ 0 0 1 -4,-2.1 4,-2.4 2,-0.2 -1,-0.2 0.905 109.6 51.6 -67.3 -42.1 24.7 22.8 38.4 249 250 A L H X S+ 0 0 1 -4,-2.7 4,-2.3 1,-0.2 -2,-0.2 0.948 110.2 50.1 -59.6 -46.2 25.7 23.6 34.8 250 251 A L H < S+ 0 0 37 -4,-2.9 -223,-0.3 1,-0.2 -1,-0.2 0.817 108.0 53.5 -62.0 -31.9 22.2 25.0 34.2 251 252 A E H >< S+ 0 0 63 -4,-1.5 3,-1.3 -5,-0.3 4,-0.3 0.923 109.9 47.4 -69.9 -42.0 22.5 27.1 37.3 252 253 A M H >X S+ 0 0 1 -4,-2.4 3,-2.1 1,-0.3 4,-1.0 0.863 102.1 64.1 -66.0 -34.2 25.8 28.6 36.0 253 254 A R T 3< S+ 0 0 13 -4,-2.3 -1,-0.3 1,-0.3 -2,-0.2 0.556 85.7 73.6 -67.9 -3.9 24.3 29.3 32.6 254 255 A K T <4 S+ 0 0 84 -3,-1.3 -1,-0.3 -4,-0.2 -2,-0.2 0.723 104.8 39.1 -77.7 -20.3 21.9 31.7 34.3 255 256 A F T <4 S+ 0 0 33 -3,-2.1 -204,-0.5 1,-0.3 2,-0.3 0.683 130.5 12.6-101.6 -23.6 25.0 33.9 34.6 256 257 A R S >< S- 0 0 0 -4,-1.0 3,-0.6 -206,-0.1 -1,-0.3 -0.945 75.8-120.5-157.1 134.3 26.7 33.3 31.3 257 258 A M T 3 S+ 0 0 54 -208,-0.6 -3,-0.1 -2,-0.3 -229,-0.1 -0.259 85.4 19.6 -70.9 158.6 25.6 31.6 28.0 258 259 A G T 3 + 0 0 11 1,-0.2 -1,-0.2 -5,-0.1 -40,-0.1 0.267 67.3 169.9 70.0 -7.0 27.3 28.6 26.4 259 260 A L S < S+ 0 0 1 -3,-0.6 -40,-0.2 -10,-0.1 -1,-0.2 -0.124 71.7 19.9 -43.7 117.9 29.2 27.3 29.4 260 261 A I S S- 0 0 0 -42,-2.4 -41,-0.2 -41,-0.2 -40,-0.1 0.841 76.3-163.0 77.9 98.1 30.5 23.9 28.2 261 262 A Q + 0 0 88 1,-0.0 2,-0.3 2,-0.0 -42,-0.1 0.619 61.9 37.1 -89.8 -15.7 30.3 24.0 24.3 262 263 A T S > S- 0 0 56 1,-0.1 4,-1.8 -43,-0.1 5,-0.1 -0.939 76.4-117.6-136.6 160.5 30.5 20.4 23.4 263 264 A A H > S+ 0 0 19 -2,-0.3 4,-2.9 1,-0.2 5,-0.2 0.835 116.6 59.8 -61.4 -32.8 29.3 17.0 24.6 264 265 A D H > S+ 0 0 90 2,-0.2 4,-3.4 1,-0.2 -1,-0.2 0.935 103.7 47.3 -62.1 -47.6 33.0 16.2 25.0 265 266 A Q H > S+ 0 0 19 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.870 111.7 52.7 -62.9 -34.5 33.5 19.0 27.4 266 267 A L H X S+ 0 0 0 -4,-1.8 4,-2.4 2,-0.2 -2,-0.2 0.949 112.1 44.2 -65.1 -46.7 30.4 17.8 29.2 267 268 A R H X S+ 0 0 82 -4,-2.9 4,-2.6 1,-0.2 -2,-0.2 0.954 113.1 51.3 -60.9 -49.7 31.8 14.3 29.4 268 269 A F H X S+ 0 0 1 -4,-3.4 4,-2.8 1,-0.2 -1,-0.2 0.873 107.7 54.1 -54.5 -40.9 35.2 15.5 30.5 269 270 A S H X S+ 0 0 1 -4,-2.4 4,-2.2 2,-0.2 5,-0.2 0.959 107.2 49.2 -59.6 -51.8 33.5 17.6 33.2 270 271 A Y H X S+ 0 0 2 -4,-2.4 4,-2.7 1,-0.2 -2,-0.2 0.936 113.0 50.2 -51.4 -48.7 31.7 14.5 34.6 271 272 A L H X S+ 0 0 32 -4,-2.6 4,-3.3 1,-0.2 5,-0.4 0.927 108.3 48.3 -55.7 -55.6 35.1 12.8 34.5 272 273 A A H X S+ 0 0 0 -4,-2.8 4,-2.5 2,-0.2 -1,-0.2 0.884 115.0 46.9 -56.2 -41.8 37.2 15.4 36.3 273 274 A V H X S+ 0 0 2 -4,-2.2 4,-2.8 -5,-0.2 5,-0.2 0.988 114.3 45.8 -62.9 -60.0 34.5 15.7 39.0 274 275 A I H X S+ 0 0 11 -4,-2.7 4,-1.3 1,-0.2 -2,-0.2 0.924 119.6 40.4 -48.3 -54.3 34.1 12.0 39.5 275 276 A E H X S+ 0 0 88 -4,-3.3 4,-2.2 -5,-0.2 -1,-0.2 0.862 111.8 57.7 -66.8 -35.0 37.9 11.4 39.6 276 277 A G H X S+ 0 0 0 -4,-2.5 4,-1.9 -5,-0.4 -2,-0.2 0.911 103.0 52.8 -61.7 -42.0 38.5 14.5 41.6 277 278 A A H X S+ 0 0 20 -4,-2.8 4,-1.3 1,-0.2 -1,-0.2 0.879 109.0 51.2 -60.5 -38.7 36.2 13.3 44.4 278 279 A K H X S+ 0 0 88 -4,-1.3 4,-1.4 -5,-0.2 3,-0.3 0.940 107.8 50.9 -64.0 -50.1 38.2 10.1 44.6 279 280 A F H < S+ 0 0 133 -4,-2.2 -1,-0.2 3,-0.2 -2,-0.2 0.843 104.4 57.5 -59.2 -36.5 41.6 11.8 44.8 280 281 A I H < S+ 0 0 77 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.898 116.7 33.5 -64.6 -39.0 40.5 14.0 47.7 281 282 A M H < 0 0 160 -4,-1.3 -1,-0.2 -3,-0.3 -2,-0.2 0.562 360.0 360.0 -92.2 -9.2 39.6 11.1 49.9 282 283 A G < 0 0 101 -4,-1.4 -3,-0.2 -5,-0.1 -4,-0.1 0.910 360.0 360.0 81.6 360.0 42.3 8.8 48.5