==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=5-AUG-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 01-FEB-11 3QKQ . COMPND 2 MOLECULE: TYROSINE-PROTEIN PHOSPHATASE NON-RECEPTOR TYPE 1; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR T.A.S.BRANDAO,S.J.JOHNSON,A.C.HENGGE . 296 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13332.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 220 74.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 14 4.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 40 13.5 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, 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 . 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 . 30 10.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 31 10.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 90 30.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 2.7 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 0 0 0 1 1 2 1 0 1 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 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 . 0 2 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 0 118 0, 0.0 4,-2.0 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0 157.1 -48.3 52.3 3.8 2 3 A M H > + 0 0 10 2,-0.2 4,-1.7 1,-0.2 272,-0.1 0.916 360.0 39.4 -75.9 -53.1 -48.7 49.2 1.7 3 4 A E H > S+ 0 0 97 2,-0.2 4,-2.2 1,-0.2 5,-0.2 0.861 115.0 56.0 -67.4 -35.9 -52.2 49.0 0.4 4 5 A K H > S+ 0 0 153 1,-0.2 4,-2.2 2,-0.2 -2,-0.2 0.982 110.7 42.7 -56.7 -59.6 -52.3 52.8 -0.2 5 6 A E H X S+ 0 0 43 -4,-2.0 4,-1.8 1,-0.2 -1,-0.2 0.801 109.9 60.5 -56.2 -33.8 -49.2 52.6 -2.4 6 7 A F H X S+ 0 0 11 -4,-1.7 4,-2.5 2,-0.2 3,-0.2 0.967 108.4 40.3 -61.2 -56.8 -50.6 49.5 -4.1 7 8 A E H X S+ 0 0 105 -4,-2.2 4,-3.7 1,-0.2 5,-0.3 0.907 113.5 55.1 -58.3 -46.1 -53.8 51.2 -5.4 8 9 A Q H X S+ 0 0 106 -4,-2.2 4,-1.4 -5,-0.2 -1,-0.2 0.845 111.3 44.3 -58.6 -35.4 -51.9 54.3 -6.3 9 10 A I H <>S+ 0 0 0 -4,-1.8 5,-2.0 -3,-0.2 4,-0.5 0.860 115.2 48.8 -77.0 -37.8 -49.5 52.3 -8.4 10 11 A D H ><5S+ 0 0 57 -4,-2.5 3,-0.7 2,-0.2 -2,-0.2 0.935 113.1 47.2 -60.9 -49.3 -52.4 50.3 -9.9 11 12 A K H 3<5S+ 0 0 196 -4,-3.7 -2,-0.2 1,-0.3 -1,-0.2 0.810 116.7 43.4 -63.4 -34.5 -54.3 53.5 -10.7 12 13 A S T 3<5S- 0 0 69 -4,-1.4 -1,-0.3 -5,-0.3 -2,-0.2 0.474 103.3-134.9 -91.2 -3.3 -51.2 55.1 -12.2 13 14 A G T < 5 + 0 0 65 -3,-0.7 -3,-0.2 -4,-0.5 3,-0.2 0.882 60.4 134.0 51.1 47.3 -50.3 51.9 -14.1 14 15 A S >< + 0 0 33 -5,-2.0 4,-2.9 1,-0.1 5,-0.2 0.010 16.7 114.5-121.5 30.3 -46.6 52.2 -13.1 15 16 A W H > S+ 0 0 24 -6,-0.3 4,-3.1 2,-0.2 5,-0.3 0.931 80.8 55.1 -61.3 -44.2 -45.6 48.7 -11.9 16 17 A A H > S+ 0 0 72 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.878 112.8 43.6 -53.9 -39.4 -43.2 48.4 -14.8 17 18 A A H > S+ 0 0 51 2,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.934 113.2 49.1 -73.7 -50.1 -41.6 51.7 -13.7 18 19 A I H X S+ 0 0 27 -4,-2.9 4,-1.7 2,-0.2 -2,-0.2 0.918 113.9 47.3 -52.8 -48.2 -41.5 50.9 -10.0 19 20 A Y H X S+ 0 0 17 -4,-3.1 4,-2.1 1,-0.2 -1,-0.2 0.936 109.9 52.3 -62.9 -45.8 -39.9 47.5 -10.8 20 21 A Q H X S+ 0 0 98 -4,-1.9 4,-2.2 -5,-0.3 -1,-0.2 0.828 105.2 56.4 -61.8 -31.0 -37.4 49.1 -13.1 21 22 A D H X S+ 0 0 84 -4,-2.2 4,-2.3 2,-0.2 -1,-0.2 0.916 105.7 50.7 -64.0 -42.7 -36.4 51.6 -10.3 22 23 A I H X S+ 0 0 1 -4,-1.7 4,-1.1 1,-0.2 -2,-0.2 0.915 109.0 52.2 -60.7 -41.4 -35.7 48.6 -8.1 23 24 A R H >< S+ 0 0 127 -4,-2.1 3,-0.5 1,-0.2 -2,-0.2 0.940 110.2 47.9 -58.3 -46.5 -33.5 47.2 -10.9 24 25 A H H 3< S+ 0 0 162 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.879 116.4 42.4 -62.2 -41.8 -31.6 50.5 -11.2 25 26 A E H 3< S+ 0 0 108 -4,-2.3 -1,-0.2 -5,-0.1 -2,-0.2 0.566 88.4 118.6 -82.1 -11.3 -31.0 50.8 -7.4 26 27 A A S << S- 0 0 22 -4,-1.1 224,-0.1 -3,-0.5 228,-0.1 -0.224 72.2 -97.6 -66.6 148.2 -30.1 47.2 -6.8 27 28 A S - 0 0 37 223,-0.4 2,-0.4 229,-0.1 -1,-0.1 -0.194 29.7-154.5 -59.2 150.4 -26.7 46.2 -5.5 28 29 A D + 0 0 147 229,-0.1 226,-0.1 226,-0.0 -1,-0.0 -0.943 21.9 165.6-130.7 113.2 -23.9 45.1 -7.8 29 30 A F - 0 0 82 -2,-0.4 2,-0.1 1,-0.0 228,-0.1 -0.818 40.3 -87.8-122.4 162.1 -21.2 42.9 -6.3 30 31 A P - 0 0 89 0, 0.0 22,-2.9 0, 0.0 23,-0.4 -0.433 23.9-169.3 -70.7 144.6 -18.5 40.7 -7.9 31 32 A C > + 0 0 17 20,-0.3 4,-1.3 21,-0.1 20,-0.1 -0.333 32.0 147.4-122.1 45.3 -19.2 37.0 -8.8 32 33 A R H >> + 0 0 157 1,-0.2 4,-0.7 2,-0.2 3,-0.6 0.874 68.8 46.0 -53.5 -50.6 -15.6 36.1 -9.4 33 34 A V H >4 S+ 0 0 13 1,-0.2 3,-1.5 2,-0.2 -1,-0.2 0.942 108.9 55.3 -63.2 -46.5 -15.7 32.5 -8.2 34 35 A A H 34 S+ 0 0 1 16,-0.4 -1,-0.2 1,-0.3 -2,-0.2 0.794 109.3 51.4 -50.4 -30.4 -18.9 31.7 -10.1 35 36 A K H << S+ 0 0 121 -4,-1.3 -1,-0.3 -3,-0.6 -2,-0.2 0.540 77.1 116.7 -95.8 -9.3 -17.2 33.0 -13.3 36 37 A L S X< S- 0 0 48 -3,-1.5 3,-1.5 -4,-0.7 4,-0.2 -0.306 73.8-123.3 -55.4 143.3 -14.0 30.9 -13.0 37 38 A P G > S+ 0 0 114 0, 0.0 3,-1.3 0, 0.0 4,-0.3 0.812 110.0 62.8 -64.7 -29.5 -13.9 28.5 -16.1 38 39 A K G 3 S+ 0 0 123 1,-0.3 3,-0.3 2,-0.1 -2,-0.1 0.727 105.4 47.9 -66.9 -18.7 -13.7 25.5 -13.8 39 40 A N G X S+ 0 0 0 -3,-1.5 3,-2.4 -6,-0.2 4,-0.3 0.374 79.1 105.0-100.7 2.5 -17.1 26.4 -12.5 40 41 A K G X S+ 0 0 171 -3,-1.3 3,-1.0 1,-0.3 -1,-0.2 0.867 81.5 47.5 -54.5 -41.4 -18.7 26.9 -15.9 41 42 A N G 3 S+ 0 0 103 -4,-0.3 -1,-0.3 -3,-0.3 48,-0.2 0.278 100.1 67.8 -87.3 10.2 -20.6 23.7 -15.7 42 43 A R G < S+ 0 0 20 -3,-2.4 25,-0.6 -8,-0.2 2,-0.5 0.366 88.0 81.5-103.3 1.1 -21.9 24.3 -12.2 43 44 A N < - 0 0 26 -3,-1.0 3,-0.1 -4,-0.3 6,-0.1 -0.928 57.7-165.4-112.5 127.6 -24.0 27.2 -13.4 44 45 A R S S+ 0 0 46 -2,-0.5 2,-0.4 1,-0.2 -1,-0.1 0.854 81.6 34.8 -73.8 -37.5 -27.4 26.7 -15.0 45 46 A Y > - 0 0 81 3,-0.4 3,-0.9 1,-0.1 -1,-0.2 -0.974 64.6-146.9-126.2 136.0 -27.6 30.2 -16.3 46 47 A R T 3 S+ 0 0 195 -2,-0.4 -1,-0.1 1,-0.2 -2,-0.0 0.852 104.6 46.1 -56.2 -39.1 -24.8 32.5 -17.7 47 48 A D T 3 S+ 0 0 113 1,-0.1 2,-0.5 -3,-0.1 -1,-0.2 0.348 99.0 75.6 -96.8 5.5 -26.7 35.5 -16.3 48 49 A V < + 0 0 13 -3,-0.9 -3,-0.4 2,-0.0 -4,-0.2 -0.874 59.1 153.0-125.7 101.7 -27.5 34.2 -12.8 49 50 A S - 0 0 5 -2,-0.5 208,-0.6 -6,-0.1 2,-0.3 -0.916 42.4-116.9-129.0 151.1 -24.6 34.1 -10.3 50 51 A P - 0 0 0 0, 0.0 -16,-0.4 0, 0.0 206,-0.1 -0.698 37.7-114.8 -77.5 134.4 -24.0 34.2 -6.6 51 52 A F > - 0 0 0 204,-0.4 4,-0.8 -2,-0.3 3,-0.4 -0.355 22.4-122.7 -58.4 148.1 -22.0 37.2 -5.3 52 53 A D T >4 S+ 0 0 38 -22,-2.9 3,-0.6 1,-0.2 -21,-0.1 0.889 107.6 57.8 -58.4 -40.3 -18.7 36.2 -3.8 53 54 A H T 34 S+ 0 0 106 -23,-0.4 -1,-0.2 1,-0.2 -22,-0.1 0.788 118.2 27.7 -70.1 -25.8 -19.4 37.8 -0.5 54 55 A S T 34 S+ 0 0 9 -3,-0.4 16,-3.0 201,-0.1 -1,-0.2 0.312 89.4 126.0-118.5 6.0 -22.6 35.9 0.2 55 56 A R E << -A 69 0A 32 -4,-0.8 2,-0.4 -3,-0.6 14,-0.2 -0.277 61.7-116.3 -69.7 151.1 -22.1 32.6 -1.6 56 57 A I E - 0 0 9 12,-2.1 10,-0.6 10,-0.3 2,-0.5 -0.747 27.7-146.8 -85.4 133.3 -22.4 29.2 0.1 57 58 A K E -A 65 0A 115 -2,-0.4 8,-0.2 8,-0.1 2,-0.1 -0.890 7.3-133.8-105.6 126.4 -19.2 27.3 0.2 58 59 A L - 0 0 4 6,-2.7 39,-0.1 -2,-0.5 35,-0.0 -0.473 18.3-129.6 -63.1 144.3 -19.1 23.5 0.0 59 60 A H + 0 0 121 -2,-0.1 -1,-0.1 37,-0.1 5,-0.1 0.174 68.9 130.4 -85.2 17.7 -16.8 22.0 2.6 60 61 A Q - 0 0 36 3,-0.2 4,-0.1 1,-0.1 77,-0.0 -0.348 57.0-147.2 -62.6 151.3 -15.3 20.1 -0.3 61 62 A E S S+ 0 0 186 2,-0.1 3,-0.2 -2,-0.1 -1,-0.1 0.845 92.6 56.1 -86.1 -43.0 -11.5 20.2 -0.6 62 63 A D S S- 0 0 130 1,-0.2 2,-0.3 2,-0.0 -1,-0.0 0.937 128.5 -18.4 -50.4 -65.9 -11.7 19.9 -4.4 63 64 A N - 0 0 10 2,-0.0 -1,-0.2 -24,-0.0 -3,-0.2 -0.931 54.0-158.9-157.4 116.0 -13.8 22.9 -5.5 64 65 A D + 0 0 48 -2,-0.3 -6,-2.7 -3,-0.2 2,-0.4 0.283 50.3 124.9 -90.9 14.3 -16.1 24.6 -3.0 65 66 A Y E +A 57 0A 0 -8,-0.2 2,-0.3 -32,-0.1 -8,-0.1 -0.601 20.6 151.3 -91.5 131.6 -18.4 26.1 -5.5 66 67 A I E - 0 0 6 -10,-0.6 2,-1.7 -2,-0.4 -10,-0.3 -0.979 51.5-111.8-142.3 143.2 -22.2 25.9 -5.9 67 68 A N E S+ 0 0 0 -25,-0.6 17,-1.5 -2,-0.3 2,-0.3 -0.612 76.2 115.3 -73.7 87.6 -24.6 28.5 -7.3 68 69 A A E - B 0 83A 0 -2,-1.7 -12,-2.1 15,-0.2 2,-0.4 -0.967 46.9-153.1-159.4 142.7 -26.3 29.4 -4.1 69 70 A S E -AB 55 82A 0 13,-2.9 13,-2.2 -2,-0.3 2,-0.8 -0.939 16.1-131.7-123.9 144.3 -26.5 32.5 -1.9 70 71 A L E - B 0 81A 49 -16,-3.0 2,-0.9 -2,-0.4 11,-0.2 -0.836 18.9-164.2 -89.9 108.3 -27.1 33.2 1.8 71 72 A I E - B 0 80A 0 9,-3.2 9,-2.2 -2,-0.8 2,-0.7 -0.851 10.8-170.0 -91.8 106.2 -29.8 35.8 2.2 72 73 A K E - B 0 79A 125 -2,-0.9 2,-1.1 7,-0.2 7,-0.2 -0.866 9.4-162.4-108.2 105.7 -29.4 36.9 5.8 73 74 A M E >> - B 0 78A 12 5,-2.1 4,-1.8 -2,-0.7 5,-1.3 -0.758 6.2-171.2 -94.9 100.1 -32.2 39.2 7.0 74 75 A E T 45S+ 0 0 173 -2,-1.1 -1,-0.2 1,-0.2 5,-0.0 0.929 79.6 38.6 -59.9 -55.0 -30.7 40.8 10.0 75 76 A E T 45S+ 0 0 108 1,-0.2 -1,-0.2 2,-0.1 -2,-0.1 0.871 119.3 46.2 -68.0 -40.7 -33.8 42.6 11.4 76 77 A A T 45S- 0 0 9 2,-0.1 -1,-0.2 160,-0.0 -2,-0.2 0.762 100.3-140.4 -70.1 -24.8 -36.3 39.8 10.6 77 78 A Q T <5 + 0 0 135 -4,-1.8 2,-0.3 1,-0.3 -3,-0.2 0.936 60.9 118.1 59.8 46.1 -33.8 37.3 12.1 78 79 A R E < -B 73 0A 43 -5,-1.3 -5,-2.1 2,-0.0 2,-0.3 -0.986 46.4-159.0-134.1 146.8 -34.5 34.8 9.4 79 80 A S E -B 72 0A 38 -2,-0.3 131,-0.7 124,-0.2 2,-0.3 -0.946 6.1-172.2-125.0 152.1 -32.1 33.4 6.8 80 81 A Y E -Bc 71 210A 0 -9,-2.2 -9,-3.2 -2,-0.3 2,-0.6 -0.988 18.3-143.8-136.3 145.0 -32.6 31.7 3.5 81 82 A I E -Bc 70 211A 0 129,-2.5 131,-3.2 -2,-0.3 2,-0.5 -0.969 20.1-164.1-101.9 118.1 -30.4 29.9 1.0 82 83 A L E +Bc 69 212A 0 -13,-2.2 -13,-2.9 -2,-0.6 2,-0.3 -0.908 18.6 164.4-100.4 133.9 -31.5 30.7 -2.5 83 84 A T E -Bc 68 213A 2 129,-2.1 131,-0.6 -2,-0.5 -15,-0.2 -0.912 37.7-101.3-143.2 162.1 -30.1 28.4 -5.2 84 85 A Q - 0 0 4 -17,-1.5 132,-0.2 -2,-0.3 131,-0.2 -0.379 55.9 -83.6 -74.6 164.9 -30.6 27.3 -8.8 85 86 A G - 0 0 0 130,-2.5 -1,-0.1 34,-0.3 -41,-0.1 -0.602 62.8 -98.4 -68.3 130.1 -32.4 24.0 -9.6 86 87 A P - 0 0 3 0, 0.0 35,-2.5 0, 0.0 -1,-0.1 -0.095 34.0-134.9 -53.7 149.1 -29.6 21.4 -9.4 87 88 A L >> - 0 0 27 33,-0.2 3,-1.6 -45,-0.1 4,-1.0 -0.577 33.4 -95.7 -97.3 164.9 -27.9 20.2 -12.6 88 89 A P T 34 S+ 0 0 113 0, 0.0 4,-0.1 0, 0.0 -1,-0.0 0.752 127.7 40.2 -56.9 -22.5 -27.3 16.5 -13.3 89 90 A N T 34 S+ 0 0 69 -48,-0.2 4,-0.3 1,-0.1 3,-0.1 0.465 113.7 52.4-104.3 -4.9 -23.7 17.0 -12.0 90 91 A T T <> S+ 0 0 5 -3,-1.6 4,-2.7 2,-0.1 5,-0.1 0.361 74.5 96.3-113.8 6.5 -24.5 19.2 -9.0 91 92 A C H X S+ 0 0 10 -4,-1.0 4,-1.8 2,-0.2 5,-0.2 0.863 89.2 50.9 -58.0 -36.8 -27.2 17.1 -7.3 92 93 A G H > S+ 0 0 3 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.956 110.3 47.5 -62.7 -52.2 -24.4 15.8 -5.1 93 94 A H H > S+ 0 0 9 -4,-0.3 4,-2.6 1,-0.2 -2,-0.2 0.873 108.2 57.9 -54.3 -41.6 -23.2 19.3 -4.3 94 95 A F H X S+ 0 0 2 -4,-2.7 4,-2.3 1,-0.2 -1,-0.2 0.939 109.8 41.0 -58.6 -48.4 -26.8 20.3 -3.6 95 96 A W H X S+ 0 0 0 -4,-1.8 4,-2.7 2,-0.2 -1,-0.2 0.835 110.7 58.3 -75.2 -27.4 -27.3 17.7 -0.9 96 97 A E H X S+ 0 0 13 -4,-2.2 4,-3.5 2,-0.2 5,-0.2 0.936 108.9 46.0 -59.7 -48.4 -23.8 18.3 0.5 97 98 A M H X S+ 0 0 0 -4,-2.6 4,-2.7 2,-0.2 6,-0.3 0.927 111.2 51.2 -57.9 -49.9 -24.9 22.0 1.0 98 99 A V H <>S+ 0 0 0 -4,-2.3 5,-2.0 1,-0.2 4,-0.4 0.930 116.0 43.8 -51.9 -47.5 -28.2 20.9 2.6 99 100 A W H ><5S+ 0 0 24 -4,-2.7 3,-0.8 1,-0.2 -2,-0.2 0.930 115.6 44.2 -65.4 -48.7 -26.2 18.7 4.9 100 101 A E H 3<5S+ 0 0 40 -4,-3.5 -2,-0.2 1,-0.2 -1,-0.2 0.798 114.0 50.3 -73.2 -27.9 -23.4 21.1 5.8 101 102 A Q T 3<5S- 0 0 50 -4,-2.7 -1,-0.2 -5,-0.2 -2,-0.2 0.485 106.8-126.9 -87.3 -4.0 -25.8 24.0 6.3 102 103 A K T < 5 + 0 0 124 -3,-0.8 106,-2.8 -4,-0.4 -3,-0.2 0.854 43.2 177.4 64.0 35.5 -28.0 21.9 8.6 103 104 A S < - 0 0 4 -5,-2.0 -1,-0.2 -6,-0.3 107,-0.1 -0.413 24.0-170.4 -72.1 147.0 -31.1 22.7 6.6 104 105 A R + 0 0 54 104,-0.4 67,-2.8 98,-0.4 2,-0.3 0.695 68.3 40.0-107.1 -31.5 -34.3 21.1 7.6 105 106 A G E -d 171 0A 0 97,-0.4 106,-2.4 65,-0.2 2,-0.4 -0.896 53.9-162.4-127.5 152.6 -36.4 22.1 4.6 106 107 A V E -de 172 211A 0 65,-2.4 67,-3.2 -2,-0.3 2,-0.6 -0.996 12.7-159.4-128.9 119.6 -36.1 22.5 0.9 107 108 A V E -de 173 212A 0 104,-3.4 106,-2.4 -2,-0.4 2,-0.6 -0.911 6.4-169.5-103.8 115.9 -38.8 24.6 -0.9 108 109 A M E +de 174 213A 0 65,-3.2 67,-2.6 -2,-0.6 106,-0.2 -0.922 9.1 179.8-108.1 122.8 -39.1 23.9 -4.6 109 110 A L + 0 0 0 104,-2.5 2,-0.3 -2,-0.6 106,-0.1 0.035 58.6 61.2-115.4 23.3 -41.2 26.4 -6.5 110 111 A N S S- 0 0 1 103,-0.2 2,-0.3 104,-0.2 67,-0.1 -0.922 76.3-113.9-140.2 165.5 -40.9 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A D H <5S+ 0 0 49 -4,-1.6 -2,-0.2 -5,-0.2 -1,-0.2 0.904 108.8 47.8 -74.2 -44.4 -45.4 40.4 13.1 236 237 A K H <5S+ 0 0 130 -4,-2.2 -2,-0.2 1,-0.2 -3,-0.1 0.861 125.0 30.0 -66.2 -38.8 -42.3 41.4 15.1 237 238 A R H <5S- 0 0 79 -4,-2.1 -1,-0.2 -5,-0.1 -2,-0.2 0.598 93.9-141.5 -91.5 -13.6 -43.4 45.1 15.2 238 239 A K T <5S+ 0 0 122 -4,-0.9 -3,-0.2 -5,-0.2 -4,-0.1 0.935 72.3 112.3 39.4 55.5 -47.2 44.3 15.0 239 240 A D > < - 0 0 61 -5,-0.9 3,-1.4 -6,-0.1 4,-0.5 -0.657 51.1-171.0-156.8 76.9 -47.2 47.4 12.8 240 241 A P G > S+ 0 0 34 0, 0.0 3,-0.7 0, 0.0 -238,-0.1 0.767 82.6 59.2 -44.9 -28.9 -48.1 46.5 9.2 241 242 A S G 3 S+ 0 0 67 1,-0.2 -7,-0.0 -7,-0.1 -3,-0.0 0.677 87.3 65.7 -89.1 -20.6 -47.2 50.0 8.1 242 243 A S G < S+ 0 0 50 -3,-1.4 2,-0.6 -8,-0.1 -1,-0.2 0.653 83.5 101.0 -70.5 -12.5 -43.5 50.4 9.1 243 244 A V < - 0 0 8 -3,-0.7 2,-0.8 -4,-0.5 -241,-0.1 -0.644 56.4-165.8 -85.0 117.3 -42.8 47.7 6.5 244 245 A D > - 0 0 71 -2,-0.6 4,-2.7 1,-0.2 5,-0.2 -0.858 2.5-165.9-103.8 100.9 -41.4 48.9 3.2 245 246 A I H > S+ 0 0 3 -2,-0.8 4,-2.7 1,-0.2 -1,-0.2 0.901 88.7 48.0 -53.5 -49.3 -41.7 46.1 0.7 246 247 A K H > S+ 0 0 44 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.879 112.2 49.7 -63.5 -38.3 -39.4 47.7 -1.9 247 248 A K H > S+ 0 0 148 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.899 110.4 50.3 -66.8 -40.0 -36.8 48.5 0.8 248 249 A V H X S+ 0 0 14 -4,-2.7 4,-1.6 1,-0.2 -2,-0.2 0.953 110.0 50.7 -62.3 -49.3 -36.9 44.9 2.1 249 250 A L H X S+ 0 0 0 -4,-2.7 4,-2.0 1,-0.2 -1,-0.2 0.870 108.7 50.8 -52.6 -42.8 -36.4 43.6 -1.5 250 251 A L H < S+ 0 0 41 -4,-1.9 4,-0.4 1,-0.2 -223,-0.4 0.876 107.8 54.3 -69.1 -34.7 -33.4 45.9 -2.1 251 252 A E H < S+ 0 0 61 -4,-1.9 3,-0.5 1,-0.2 -1,-0.2 0.826 108.9 48.3 -62.6 -34.6 -31.9 44.6 1.2 252 253 A M H >X S+ 0 0 0 -4,-1.6 3,-2.0 1,-0.2 4,-1.2 0.853 102.8 61.6 -75.6 -34.1 -32.3 41.0 -0.1 253 254 A R T 3< S+ 0 0 10 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.571 87.7 73.1 -71.6 -8.5 -30.7 42.0 -3.5 254 255 A K T 34 S+ 0 0 88 -3,-0.5 -1,-0.3 -4,-0.4 -2,-0.2 0.763 106.2 37.9 -64.3 -26.1 -27.6 42.8 -1.5 255 256 A F T <4 S+ 0 0 35 -3,-2.0 -204,-0.4 1,-0.3 2,-0.3 0.733 129.6 13.6-104.5 -26.6 -27.3 39.0 -1.1 256 257 A R S >< S- 0 0 0 -4,-1.2 3,-0.7 -206,-0.1 -1,-0.3 -0.962 78.9-116.4-151.2 137.0 -28.4 37.6 -4.5 257 258 A M T 3 S+ 0 0 48 -208,-0.6 -3,-0.1 -2,-0.3 -229,-0.1 -0.274 85.1 13.2 -69.5 151.1 -28.9 39.4 -7.8 258 259 A G T 3 + 0 0 22 1,-0.2 -1,-0.2 -5,-0.1 -36,-0.1 0.546 68.7 176.6 71.1 12.2 -32.2 39.7 -9.7 259 260 A L < + 0 0 0 -3,-0.7 -40,-0.2 -10,-0.1 -1,-0.2 -0.323 67.5 23.0 -53.1 123.9 -34.6 38.6 -6.9 260 261 A I S S- 0 0 0 -42,-2.2 -41,-0.2 -2,-0.1 -40,-0.1 0.713 74.9-156.1 75.2 113.9 -38.1 39.0 -8.4 261 262 A Q + 0 0 44 1,-0.1 2,-0.3 2,-0.0 -42,-0.1 0.620 64.4 38.6-102.6 -16.8 -37.9 38.9 -12.2 262 263 A T S > S- 0 0 27 -43,-0.1 4,-1.7 1,-0.1 3,-0.2 -0.957 73.7-121.8-135.9 154.2 -41.0 40.7 -13.5 263 264 A A H > S+ 0 0 21 -2,-0.3 4,-2.3 1,-0.2 5,-0.1 0.807 116.0 58.5 -62.0 -25.8 -43.0 43.8 -12.4 264 265 A D H > S+ 0 0 86 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.898 100.6 53.4 -72.9 -38.7 -45.9 41.4 -12.1 265 266 A Q H > S+ 0 0 1 2,-0.2 4,-2.4 1,-0.2 -2,-0.2 0.908 108.7 51.6 -58.8 -41.1 -44.1 39.3 -9.6 266 267 A L H X S+ 0 0 0 -4,-1.7 4,-2.0 2,-0.2 -2,-0.2 0.955 109.3 48.3 -58.7 -51.5 -43.5 42.5 -7.6 267 268 A R H X S+ 0 0 72 -4,-2.3 4,-2.3 1,-0.2 -2,-0.2 0.916 111.1 51.7 -56.9 -42.4 -47.2 43.4 -7.7 268 269 A F H X S+ 0 0 10 -4,-2.7 4,-3.0 2,-0.2 -1,-0.2 0.895 104.7 57.1 -60.7 -39.7 -48.1 39.8 -6.7 269 270 A S H X S+ 0 0 0 -4,-2.4 4,-2.8 2,-0.2 5,-0.2 0.931 107.1 47.3 -57.0 -49.0 -45.7 40.1 -3.7 270 271 A Y H X S+ 0 0 0 -4,-2.0 4,-3.7 2,-0.2 5,-0.3 0.954 111.2 53.3 -52.4 -52.8 -47.6 43.1 -2.4 271 272 A L H X S+ 0 0 49 -4,-2.3 4,-3.0 1,-0.2 5,-0.2 0.933 111.5 44.1 -48.8 -55.2 -50.8 41.2 -2.9 272 273 A A H X S+ 0 0 0 -4,-3.0 4,-2.8 2,-0.2 -1,-0.2 0.883 116.0 46.6 -61.6 -41.5 -49.5 38.3 -0.9 273 274 A V H X S+ 0 0 0 -4,-2.8 4,-2.1 -5,-0.2 -2,-0.2 0.949 113.8 48.1 -67.0 -46.1 -48.1 40.5 1.9 274 275 A I H X S+ 0 0 21 -4,-3.7 4,-0.6 -5,-0.2 -2,-0.2 0.950 118.0 41.5 -56.6 -49.7 -51.3 42.7 2.0 275 276 A E H >X S+ 0 0 44 -4,-3.0 3,-0.9 -5,-0.3 4,-0.5 0.899 114.3 50.9 -66.4 -40.5 -53.5 39.6 2.2 276 277 A G H >X S+ 0 0 0 -4,-2.8 4,-1.7 1,-0.2 3,-0.5 0.790 96.4 70.9 -68.5 -27.4 -51.2 37.7 4.6 277 278 A A H 3X S+ 0 0 13 -4,-2.1 4,-2.2 1,-0.2 -1,-0.2 0.821 84.2 69.8 -60.0 -30.8 -51.1 40.6 6.9 278 279 A K H <<>S+ 0 0 106 -3,-0.9 5,-1.4 -4,-0.6 -1,-0.2 0.943 103.2 42.7 -51.0 -51.6 -54.8 39.9 7.8 279 280 A F H X<5S+ 0 0 53 -3,-0.5 3,-1.7 -4,-0.5 4,-0.2 0.945 109.6 58.0 -57.3 -51.4 -53.6 36.8 9.6 280 281 A I H 3<5S+ 0 0 10 -4,-1.7 -1,-0.2 1,-0.3 -2,-0.2 0.866 101.7 57.0 -47.5 -40.0 -50.7 38.6 11.2 281 282 A M T 3<5S- 0 0 91 -4,-2.2 -1,-0.3 -3,-0.1 -2,-0.2 0.212 131.4 -74.6 -91.9 20.3 -52.9 41.2 12.9 282 283 A G T < 5S+ 0 0 65 -3,-1.7 2,-1.2 1,-0.1 3,-0.2 0.402 93.5 120.7 112.8 -0.8 -55.2 38.9 14.9 283 284 A D > < + 0 0 66 -5,-1.4 3,-1.2 -4,-0.2 4,-0.4 -0.672 28.9 170.7 -98.3 81.6 -57.5 37.4 12.3 284 285 A S T > + 0 0 90 -2,-1.2 3,-1.1 1,-0.2 4,-0.4 0.839 68.3 66.1 -60.1 -36.9 -56.9 33.7 12.7 285 286 A S T >> S+ 0 0 67 1,-0.2 4,-1.2 2,-0.2 3,-0.7 0.667 81.2 77.4 -62.5 -21.3 -59.7 32.5 10.5 286 287 A V H <> S+ 0 0 1 -3,-1.2 4,-1.7 1,-0.2 3,-0.3 0.882 88.4 58.6 -58.7 -37.2 -58.2 34.0 7.3 287 288 A Q H <> S+ 0 0 45 -3,-1.1 4,-1.2 -4,-0.4 -1,-0.2 0.809 104.0 50.9 -62.5 -30.7 -55.8 31.0 7.1 288 289 A D H <> S+ 0 0 105 -3,-0.7 4,-1.4 -4,-0.4 -1,-0.2 0.777 106.1 56.5 -76.8 -25.6 -58.7 28.6 6.9 289 290 A Q H X S+ 0 0 91 -4,-1.2 4,-2.0 -3,-0.3 -2,-0.2 0.839 107.0 48.9 -70.6 -36.0 -60.1 30.8 4.1 290 291 A W H X S+ 0 0 1 -4,-1.7 4,-1.4 2,-0.2 -2,-0.2 0.811 105.3 57.4 -70.9 -34.2 -56.9 30.3 2.1 291 292 A K H X>S+ 0 0 75 -4,-1.2 5,-1.0 2,-0.2 4,-0.7 0.930 113.9 39.0 -64.0 -42.7 -56.9 26.5 2.7 292 293 A E H <5S+ 0 0 127 -4,-1.4 3,-0.5 1,-0.2 -2,-0.2 0.873 115.2 51.7 -73.2 -40.3 -60.4 26.3 1.1 293 294 A L H <5S+ 0 0 101 -4,-2.0 -1,-0.2 1,-0.2 -104,-0.2 0.688 105.9 56.7 -70.0 -19.6 -59.7 28.9 -1.6 294 295 A S H <5S- 0 0 4 -4,-1.4 -1,-0.2 -106,-0.2 -2,-0.2 0.723 96.7-144.6 -82.6 -24.5 -56.5 27.0 -2.6 295 296 A H T <5 0 0 144 -4,-0.7 -3,-0.1 -3,-0.5 -2,-0.1 0.833 360.0 360.0 65.8 40.0 -58.5 23.8 -3.2 296 297 A E < 0 0 45 -5,-1.0 -146,-1.7 -146,-0.1 -144,-0.1 0.532 360.0 360.0 -66.6 360.0 -55.8 21.5 -1.9