==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=2-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 07-NOV-06 2NTA . COMPND 2 MOLECULE: TYROSINE-PROTEIN PHOSPHATASE NON-RECEPTOR TYPE 1; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR W.XU,B.FOLLOWS . 297 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13552.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 219 73.7 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 . 31 10.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 29 9.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 91 30.6 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 0 3 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 0 105 0, 0.0 4,-3.2 0, 0.0 5,-0.3 0.000 360.0 360.0 360.0 -54.0 22.7 -8.1 -20.2 2 3 A M H > + 0 0 14 241,-0.2 4,-1.7 1,-0.2 272,-0.1 0.879 360.0 40.9 -58.6 -39.5 25.4 -10.2 -18.5 3 4 A E H > S+ 0 0 107 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.804 117.4 46.1 -80.3 -31.5 27.5 -7.1 -17.8 4 5 A K H > S+ 0 0 129 2,-0.2 4,-1.5 1,-0.2 -2,-0.2 0.828 113.5 51.3 -77.9 -32.4 24.6 -4.9 -16.9 5 6 A E H X S+ 0 0 17 -4,-3.2 4,-3.5 2,-0.2 5,-0.3 0.904 108.3 53.3 -68.0 -41.8 23.3 -7.7 -14.7 6 7 A F H X S+ 0 0 18 -4,-1.7 4,-2.6 -5,-0.3 -2,-0.2 0.961 111.1 41.7 -58.1 -58.6 26.7 -8.0 -13.0 7 8 A E H X S+ 0 0 124 -4,-1.7 4,-1.2 1,-0.2 -1,-0.2 0.857 118.5 50.2 -58.9 -35.2 27.1 -4.3 -12.0 8 9 A Q H X S+ 0 0 98 -4,-1.5 4,-1.2 2,-0.2 3,-0.5 0.954 112.1 43.1 -67.7 -53.9 23.4 -4.4 -11.0 9 10 A I H <>S+ 0 0 1 -4,-3.5 5,-2.0 1,-0.3 6,-0.2 0.861 117.5 50.9 -59.5 -34.1 23.6 -7.5 -8.8 10 11 A D H <5S+ 0 0 64 -4,-2.6 -1,-0.3 -5,-0.3 -2,-0.2 0.730 105.0 54.4 -76.6 -24.6 26.9 -6.1 -7.5 11 12 A K H <5S+ 0 0 168 -4,-1.2 -1,-0.2 -3,-0.5 -2,-0.2 0.676 115.8 39.2 -83.3 -17.9 25.3 -2.7 -6.7 12 13 A S T <5S- 0 0 74 -4,-1.2 -2,-0.2 -3,-0.2 -1,-0.2 0.326 104.2-130.1-109.9 3.7 22.6 -4.4 -4.6 13 14 A G T 5 + 0 0 65 -4,-0.2 -3,-0.2 -5,-0.2 3,-0.1 0.930 61.6 136.8 44.8 59.1 25.0 -7.0 -3.1 14 15 A S >< + 0 0 32 -5,-2.0 4,-2.6 1,-0.1 5,-0.2 -0.037 16.3 119.2-124.6 32.0 22.6 -9.8 -3.9 15 16 A W H > S+ 0 0 22 -6,-0.2 4,-3.0 1,-0.2 5,-0.2 0.886 79.1 53.1 -64.2 -36.9 25.0 -12.5 -5.2 16 17 A A H > S+ 0 0 64 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.877 110.8 47.2 -64.8 -37.8 23.9 -14.9 -2.4 17 18 A A H > S+ 0 0 52 2,-0.2 4,-1.8 1,-0.2 -2,-0.2 0.926 113.8 46.9 -69.3 -45.4 20.3 -14.4 -3.4 18 19 A I H X S+ 0 0 32 -4,-2.6 4,-1.6 2,-0.2 -2,-0.2 0.943 114.9 47.0 -61.4 -48.0 21.0 -14.9 -7.1 19 20 A Y H X S+ 0 0 9 -4,-3.0 4,-1.9 1,-0.2 -2,-0.2 0.922 110.7 51.1 -61.3 -46.2 23.0 -18.0 -6.4 20 21 A Q H X S+ 0 0 89 -4,-2.4 4,-2.3 1,-0.2 -1,-0.2 0.839 104.9 57.3 -62.9 -31.9 20.5 -19.5 -4.0 21 22 A D H X S+ 0 0 85 -4,-1.8 4,-1.9 2,-0.2 -1,-0.2 0.922 105.5 50.9 -64.5 -40.9 17.7 -19.0 -6.5 22 23 A I H X S+ 0 0 4 -4,-1.6 4,-1.4 1,-0.2 -2,-0.2 0.921 109.0 51.5 -61.1 -42.1 19.7 -21.1 -9.0 23 24 A R H < S+ 0 0 126 -4,-1.9 3,-0.3 1,-0.2 -1,-0.2 0.911 109.4 49.9 -60.8 -42.5 20.1 -23.8 -6.3 24 25 A H H < S+ 0 0 167 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.831 114.9 43.5 -66.1 -32.6 16.3 -23.8 -5.7 25 26 A E H < S+ 0 0 122 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.2 0.631 88.2 121.9 -87.9 -14.4 15.6 -24.2 -9.4 26 27 A A < - 0 0 26 -4,-1.4 224,-0.1 -3,-0.3 225,-0.1 -0.111 69.7-100.6 -53.8 143.8 18.2 -26.8 -10.1 27 28 A S - 0 0 40 223,-0.3 2,-0.4 229,-0.1 -1,-0.1 -0.184 29.1-154.1 -62.2 155.0 17.2 -30.2 -11.5 28 29 A D + 0 0 147 229,-0.1 226,-0.1 226,-0.0 -1,-0.0 -0.928 22.9 160.7-138.4 109.2 16.9 -33.2 -9.3 29 30 A F - 0 0 85 -2,-0.4 2,-0.1 1,-0.0 228,-0.1 -0.827 42.1 -86.6-123.5 163.8 17.3 -36.7 -10.7 30 31 A P - 0 0 51 0, 0.0 22,-3.1 0, 0.0 23,-0.4 -0.387 22.6-170.0 -75.8 151.0 18.0 -40.0 -9.2 31 32 A C > + 0 0 18 20,-0.3 4,-1.4 21,-0.1 20,-0.1 -0.430 34.5 143.5-130.0 50.6 21.5 -41.4 -8.4 32 33 A R H > + 0 0 183 1,-0.2 4,-0.6 2,-0.2 -1,-0.1 0.881 68.8 51.4 -63.2 -41.9 20.5 -44.9 -7.6 33 34 A V H >4 S+ 0 0 33 1,-0.2 3,-1.1 2,-0.2 -1,-0.2 0.923 110.1 50.5 -62.9 -41.5 23.5 -46.7 -9.1 34 35 A A H 34 S+ 0 0 1 16,-0.3 -1,-0.2 1,-0.3 -2,-0.2 0.804 109.6 52.4 -64.7 -30.0 25.8 -44.4 -7.1 35 36 A K H 3< S+ 0 0 113 -4,-1.4 -1,-0.3 3,-0.0 -2,-0.2 0.492 79.4 119.8 -86.7 -3.8 23.9 -45.2 -3.9 36 37 A L S X< S- 0 0 71 -3,-1.1 3,-1.8 -4,-0.6 4,-0.4 -0.344 74.1-120.3 -60.7 142.7 24.1 -49.0 -4.3 37 38 A P G > S+ 0 0 117 0, 0.0 3,-1.3 0, 0.0 4,-0.3 0.858 110.9 59.7 -52.0 -41.1 26.0 -50.5 -1.3 38 39 A K G 3 S+ 0 0 128 1,-0.2 3,-0.2 2,-0.1 -2,-0.1 0.652 105.1 50.3 -66.3 -14.4 28.7 -52.0 -3.6 39 40 A N G X S+ 0 0 0 -3,-1.8 3,-2.6 -6,-0.2 4,-0.4 0.441 75.3 102.5-103.8 0.1 29.6 -48.5 -4.8 40 41 A K G X S+ 0 0 175 -3,-1.3 3,-1.2 -4,-0.4 -1,-0.1 0.876 83.8 49.4 -50.6 -41.8 30.0 -46.8 -1.4 41 42 A N G 3 S+ 0 0 102 -4,-0.3 -1,-0.3 1,-0.2 48,-0.2 0.375 101.4 64.5 -82.5 7.4 33.8 -47.0 -1.6 42 43 A R G < S+ 0 0 24 -3,-2.6 25,-0.5 -8,-0.2 2,-0.5 0.397 90.4 78.7-104.2 -1.1 33.8 -45.6 -5.2 43 44 A N < - 0 0 23 -3,-1.2 3,-0.1 -4,-0.4 6,-0.1 -0.930 59.2-164.1-111.8 130.2 32.5 -42.3 -4.0 44 45 A R S S+ 0 0 45 -2,-0.5 2,-0.4 1,-0.2 -1,-0.1 0.856 83.8 35.2 -77.5 -36.6 34.7 -39.7 -2.3 45 46 A Y > - 0 0 72 3,-0.4 3,-1.7 1,-0.1 -1,-0.2 -0.976 68.1-147.6-126.9 126.2 31.7 -37.8 -0.9 46 47 A R T 3 S+ 0 0 184 -2,-0.4 -1,-0.1 1,-0.3 -2,-0.0 0.860 101.1 46.0 -53.7 -40.8 28.4 -39.2 0.3 47 48 A D T 3 S+ 0 0 108 1,-0.1 2,-0.4 2,-0.0 -1,-0.3 0.137 99.7 73.5 -95.2 20.5 26.5 -36.2 -0.9 48 49 A V < + 0 0 19 -3,-1.7 -3,-0.4 2,-0.0 -4,-0.2 -0.889 60.1 149.4-135.9 103.4 28.0 -35.8 -4.3 49 50 A S - 0 0 3 -2,-0.4 208,-0.5 -6,-0.1 2,-0.3 -0.925 45.5-108.8-133.5 156.6 26.9 -38.4 -6.9 50 51 A P - 0 0 0 0, 0.0 -16,-0.3 0, 0.0 206,-0.1 -0.668 39.0-110.9 -85.7 139.0 26.3 -38.5 -10.6 51 52 A F > - 0 0 1 204,-0.4 4,-0.9 -2,-0.3 3,-0.4 -0.337 24.8-123.8 -62.9 150.6 22.7 -38.7 -11.9 52 53 A D T >4 S+ 0 0 33 -22,-3.1 3,-0.6 1,-0.2 -1,-0.1 0.902 106.1 57.7 -65.1 -41.2 21.9 -42.1 -13.4 53 54 A H T 34 S+ 0 0 108 -23,-0.4 -1,-0.2 1,-0.2 -22,-0.1 0.790 119.6 28.0 -63.1 -26.9 20.8 -40.7 -16.7 54 55 A S T 34 S+ 0 0 11 -3,-0.4 16,-2.5 201,-0.1 -1,-0.2 0.371 88.5 125.8-116.4 4.1 24.1 -38.9 -17.4 55 56 A R E << -A 69 0A 28 -4,-0.9 2,-0.5 -3,-0.6 14,-0.2 -0.223 64.2-113.1 -64.1 153.6 26.6 -41.0 -15.5 56 57 A I E - 0 0 7 12,-2.3 10,-0.5 10,-0.4 2,-0.5 -0.788 29.0-147.5 -89.4 125.6 29.6 -42.4 -17.4 57 58 A K E -A 65 0A 118 -2,-0.5 2,-0.3 8,-0.1 8,-0.2 -0.820 9.9-131.9 -97.6 129.7 29.5 -46.2 -17.6 58 59 A L - 0 0 3 6,-2.4 2,-3.3 -2,-0.5 39,-0.1 -0.616 22.7-122.8 -75.7 135.5 32.8 -48.1 -17.6 59 60 A H + 0 0 134 -2,-0.3 2,-0.4 37,-0.1 -1,-0.1 -0.321 69.9 141.4 -76.1 60.3 32.7 -50.6 -20.4 60 61 A Q - 0 0 38 -2,-3.3 -2,-0.1 1,-0.1 4,-0.1 -0.881 57.9-145.9-120.6 142.2 33.3 -53.2 -17.7 61 62 A E S S+ 0 0 186 -2,-0.4 3,-0.2 2,-0.1 -1,-0.1 0.931 95.5 33.2 -56.7 -59.8 32.2 -56.7 -16.9 62 63 A D S S- 0 0 132 1,-0.3 2,-0.4 2,-0.0 -1,-0.1 0.971 131.9 -2.8 -70.1 -63.3 32.0 -56.6 -13.1 63 64 A N - 0 0 12 2,-0.1 -1,-0.3 1,-0.0 -2,-0.1 -0.973 51.6-168.3-141.0 119.3 30.9 -53.1 -12.1 64 65 A D + 0 0 45 -2,-0.4 -6,-2.4 -3,-0.2 2,-0.4 0.277 50.4 120.9 -91.3 11.9 30.4 -50.2 -14.6 65 66 A Y E +A 57 0A 0 -8,-0.2 2,-0.3 -32,-0.1 -8,-0.1 -0.617 23.9 152.5 -89.6 135.4 30.2 -47.5 -12.0 66 67 A I E - 0 0 9 -10,-0.5 2,-1.8 -2,-0.4 -10,-0.4 -0.973 51.6-111.0-148.6 142.6 32.5 -44.4 -11.6 67 68 A N E S+ 0 0 0 -25,-0.5 17,-1.5 -2,-0.3 2,-0.3 -0.606 76.8 114.8 -79.2 86.0 31.5 -41.1 -10.1 68 69 A A E - B 0 83A 0 -2,-1.8 -12,-2.3 15,-0.2 2,-0.4 -0.974 46.7-156.2-155.7 142.1 31.6 -39.1 -13.3 69 70 A S E -AB 55 82A 0 13,-2.9 13,-2.3 -2,-0.3 2,-0.7 -0.942 16.9-131.5-125.0 143.7 28.9 -37.3 -15.4 70 71 A L E - B 0 81A 51 -16,-2.5 2,-1.0 -2,-0.4 11,-0.2 -0.843 16.6-159.2 -94.7 113.7 28.7 -36.3 -19.1 71 72 A I E - B 0 80A 0 9,-3.4 9,-1.8 -2,-0.7 2,-0.9 -0.831 13.2-172.1 -92.9 100.2 27.8 -32.7 -19.4 72 73 A K E - B 0 79A 126 -2,-1.0 2,-1.3 7,-0.2 7,-0.2 -0.812 9.0-163.8-101.6 99.9 26.5 -32.6 -23.0 73 74 A M E >> - B 0 78A 9 5,-1.9 4,-2.0 -2,-0.9 5,-1.2 -0.687 5.5-172.4 -85.9 96.0 25.8 -29.0 -24.0 74 75 A E T 45S+ 0 0 170 -2,-1.3 -1,-0.2 1,-0.2 5,-0.0 0.921 80.2 40.8 -52.2 -57.5 23.6 -29.5 -27.1 75 76 A E T 45S+ 0 0 118 1,-0.2 -1,-0.2 2,-0.1 -2,-0.1 0.900 118.7 44.6 -62.9 -45.8 23.4 -25.9 -28.3 76 77 A A T 45S- 0 0 7 2,-0.2 -1,-0.2 1,-0.0 -2,-0.2 0.779 101.8-139.0 -69.7 -26.1 27.1 -25.1 -27.6 77 78 A Q T <5 + 0 0 152 -4,-2.0 2,-0.3 1,-0.3 -3,-0.2 0.873 62.8 109.8 67.5 41.8 28.0 -28.4 -29.2 78 79 A R E < -B 73 0A 46 -5,-1.2 -5,-1.9 2,-0.0 2,-0.3 -0.990 49.0-157.4-143.2 144.4 30.7 -29.3 -26.7 79 80 A S E -B 72 0A 35 -2,-0.3 131,-0.8 -7,-0.2 2,-0.3 -0.913 5.8-171.1-124.4 152.0 30.8 -32.0 -24.0 80 81 A Y E -Bc 71 210A 0 -9,-1.8 -9,-3.4 -2,-0.3 2,-0.6 -0.972 18.4-139.2-137.3 151.2 32.8 -32.3 -20.8 81 82 A I E -Bc 70 211A 0 129,-2.7 131,-3.8 -2,-0.3 2,-0.5 -0.965 20.1-165.4-112.7 115.2 33.1 -35.2 -18.3 82 83 A L E +Bc 69 212A 0 -13,-2.3 -13,-2.9 -2,-0.6 2,-0.3 -0.901 18.5 162.0-103.2 129.1 33.1 -33.9 -14.8 83 84 A T E -Bc 68 213A 3 129,-2.1 131,-0.6 -2,-0.5 -15,-0.2 -0.879 38.6 -98.2-140.4 167.1 34.3 -36.4 -12.2 84 85 A Q - 0 0 5 -17,-1.5 132,-0.2 -2,-0.3 131,-0.2 -0.392 56.0 -82.9 -80.9 164.0 35.6 -36.4 -8.6 85 86 A G - 0 0 0 130,-2.5 -1,-0.1 34,-0.3 -41,-0.1 -0.575 64.5-104.7 -65.9 125.1 39.3 -36.6 -7.8 86 87 A P - 0 0 3 0, 0.0 35,-2.5 0, 0.0 5,-0.1 -0.117 32.1-128.8 -55.2 149.6 39.9 -40.3 -8.1 87 88 A L >> - 0 0 23 33,-0.2 3,-1.7 -45,-0.1 4,-0.7 -0.445 31.9 -95.2 -92.6 169.3 40.4 -42.5 -5.0 88 89 A P T 34 S+ 0 0 115 0, 0.0 3,-0.2 0, 0.0 4,-0.1 0.801 128.9 41.3 -55.7 -26.5 43.2 -44.9 -4.3 89 90 A N T 34 S+ 0 0 69 -48,-0.2 4,-0.2 1,-0.1 3,-0.0 0.424 112.9 52.5-102.1 0.7 41.0 -47.7 -5.6 90 91 A T T <> S+ 0 0 5 -3,-1.7 4,-2.7 2,-0.1 -1,-0.1 0.302 73.7 97.2-118.6 9.2 39.5 -45.8 -8.6 91 92 A C H X S+ 0 0 11 -4,-0.7 4,-2.1 1,-0.2 5,-0.2 0.868 87.5 51.2 -65.6 -33.4 42.6 -44.6 -10.4 92 93 A G H > S+ 0 0 3 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.892 111.6 47.0 -68.3 -38.3 42.3 -47.6 -12.7 93 94 A H H > S+ 0 0 11 2,-0.2 4,-2.6 1,-0.2 -2,-0.2 0.880 108.7 56.4 -67.8 -40.7 38.7 -46.8 -13.4 94 95 A F H X S+ 0 0 2 -4,-2.7 4,-1.9 1,-0.2 -2,-0.2 0.940 112.1 40.4 -58.0 -49.4 39.6 -43.1 -14.0 95 96 A W H X S+ 0 0 0 -4,-2.1 4,-2.3 2,-0.2 -1,-0.2 0.825 111.0 57.8 -71.9 -29.5 42.1 -44.0 -16.7 96 97 A E H X S+ 0 0 17 -4,-1.8 4,-3.1 2,-0.2 5,-0.3 0.938 107.5 49.1 -63.1 -43.5 39.8 -46.7 -18.1 97 98 A M H X S+ 0 0 0 -4,-2.6 4,-2.8 1,-0.2 6,-0.3 0.924 108.7 52.1 -60.3 -46.5 37.2 -44.0 -18.6 98 99 A V H <>S+ 0 0 1 -4,-1.9 5,-1.8 1,-0.2 4,-0.4 0.907 114.3 44.3 -56.5 -42.9 39.7 -41.7 -20.3 99 100 A W H ><5S+ 0 0 23 -4,-2.3 3,-0.9 3,-0.2 -2,-0.2 0.955 115.7 43.8 -68.9 -50.9 40.6 -44.5 -22.7 100 101 A E H 3<5S+ 0 0 36 -4,-3.1 -2,-0.2 1,-0.2 -1,-0.2 0.859 116.7 47.1 -64.8 -35.5 37.0 -45.7 -23.5 101 102 A Q T 3<5S- 0 0 46 -4,-2.8 -1,-0.2 -5,-0.3 -2,-0.2 0.487 106.5-129.7 -84.3 -3.7 35.7 -42.1 -23.9 102 103 A K T < 5 + 0 0 127 -3,-0.9 106,-2.5 -4,-0.4 -3,-0.2 0.818 39.7 177.9 60.0 34.3 38.7 -41.2 -26.0 103 104 A S < - 0 0 3 -5,-1.8 -1,-0.2 -6,-0.3 107,-0.1 -0.370 21.6-167.8 -67.1 147.8 39.5 -38.1 -24.0 104 105 A R + 0 0 55 104,-0.4 67,-2.5 98,-0.4 2,-0.3 0.647 69.4 36.9-106.5 -27.7 42.6 -36.1 -25.2 105 106 A G E -d 171 0A 0 97,-0.4 106,-2.3 65,-0.2 2,-0.4 -0.912 57.3-158.6-130.9 156.6 42.9 -33.9 -22.2 106 107 A V E -de 172 211A 0 65,-2.4 67,-2.9 -2,-0.3 2,-0.6 -0.997 12.3-157.4-132.0 123.6 42.4 -34.0 -18.4 107 108 A V E -de 173 212A 0 104,-3.6 106,-2.6 -2,-0.4 2,-0.5 -0.927 7.7-171.6-108.2 120.0 41.9 -30.8 -16.5 108 109 A M E +de 174 213A 0 65,-2.8 67,-3.0 -2,-0.6 106,-0.2 -0.953 10.2 177.2-113.4 120.1 42.7 -30.8 -12.8 109 110 A L + 0 0 0 104,-2.6 2,-0.2 -2,-0.5 69,-0.2 0.288 61.0 57.2-105.9 9.9 41.7 -27.8 -10.7 110 111 A N S S- 0 0 1 103,-0.3 2,-0.3 104,-0.2 67,-0.1 -0.707 76.8-114.0-129.8 178.2 42.8 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-38.9 29.5 -19.4 -32.2 237 238 A R H <5S- 0 0 74 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.562 95.0-138.6 -95.2 -10.0 27.1 -16.5 -32.5 238 239 A K T <5S+ 0 0 112 -4,-1.4 -3,-0.2 -5,-0.3 -4,-0.1 0.922 72.6 112.4 47.1 46.5 29.6 -13.7 -32.3 239 240 A D > < - 0 0 66 -5,-1.5 3,-1.5 -6,-0.2 -1,-0.1 -0.707 48.1-174.2-152.4 92.7 27.1 -12.1 -30.0 240 241 A P G > S+ 0 0 37 0, 0.0 3,-1.4 0, 0.0 -238,-0.2 0.808 85.1 64.2 -55.4 -34.2 27.9 -11.6 -26.3 241 242 A S G 3 S+ 0 0 89 1,-0.3 -239,-0.0 -240,-0.1 -7,-0.0 0.684 90.2 65.5 -65.9 -22.0 24.4 -10.3 -25.6 242 243 A S G < S+ 0 0 39 -3,-1.5 2,-0.6 -8,-0.1 -1,-0.3 0.388 80.8 99.4 -83.4 3.6 22.8 -13.7 -26.5 243 244 A V < - 0 0 3 -3,-1.4 2,-0.9 -4,-0.1 -241,-0.2 -0.831 50.5-171.2-100.5 117.3 24.4 -15.4 -23.6 244 245 A D > - 0 0 52 -2,-0.6 4,-2.1 1,-0.2 5,-0.2 -0.858 5.4-170.1-103.9 95.5 22.3 -16.0 -20.5 245 246 A I H > S+ 0 0 1 -2,-0.9 4,-2.6 1,-0.2 5,-0.2 0.889 83.8 50.3 -53.5 -48.7 24.9 -17.3 -18.0 246 247 A K H > S+ 0 0 46 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.902 110.3 51.4 -59.7 -40.3 22.3 -18.4 -15.3 247 248 A K H > S+ 0 0 138 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.907 109.8 49.5 -61.7 -44.1 20.4 -20.3 -18.0 248 249 A V H X S+ 0 0 14 -4,-2.1 4,-2.7 1,-0.2 -2,-0.2 0.935 109.8 50.8 -61.7 -46.4 23.5 -22.1 -19.1 249 250 A L H X S+ 0 0 0 -4,-2.6 4,-2.2 1,-0.2 -1,-0.2 0.903 110.0 50.1 -59.0 -41.0 24.4 -23.0 -15.5 250 251 A L H < S+ 0 0 37 -4,-2.2 -223,-0.3 2,-0.2 4,-0.3 0.877 109.9 50.5 -66.5 -36.6 20.9 -24.4 -15.0 251 252 A D H >< S+ 0 0 50 -4,-2.1 3,-1.5 1,-0.2 4,-0.3 0.924 109.8 50.6 -66.5 -42.9 21.2 -26.5 -18.2 252 253 A M H >X S+ 0 0 0 -4,-2.7 3,-2.2 1,-0.3 4,-0.9 0.888 101.8 62.4 -60.1 -39.8 24.5 -27.9 -17.0 253 254 A R T 3< S+ 0 0 12 -4,-2.2 -1,-0.3 1,-0.3 -2,-0.2 0.577 86.9 72.4 -65.2 -7.6 23.0 -28.8 -13.7 254 255 A K T <4 S+ 0 0 94 -3,-1.5 -1,-0.3 -4,-0.3 -2,-0.2 0.709 104.9 40.7 -76.2 -19.1 20.6 -31.1 -15.5 255 256 A F T <4 S+ 0 0 38 -3,-2.2 -204,-0.4 1,-0.3 2,-0.3 0.668 128.8 11.8-102.6 -24.0 23.7 -33.4 -16.0 256 257 A R S >< S- 0 0 0 -4,-0.9 3,-0.7 -206,-0.1 -1,-0.3 -0.925 77.9-114.9-158.0 134.0 25.5 -33.1 -12.6 257 258 A M T 3 S+ 0 0 52 -208,-0.5 -3,-0.1 -2,-0.3 -229,-0.1 -0.183 86.2 14.4 -67.2 156.8 24.4 -31.7 -9.3 258 259 A G T 3 + 0 0 12 1,-0.2 -1,-0.2 -5,-0.1 2,-0.1 0.532 69.0 177.7 57.4 17.5 25.9 -28.7 -7.4 259 260 A L < + 0 0 0 -3,-0.7 -40,-0.2 -10,-0.1 -1,-0.2 -0.323 68.3 19.6 -55.8 120.2 27.9 -27.2 -10.3 260 261 A I S S- 0 0 0 -42,-2.7 -41,-0.2 -2,-0.1 -40,-0.1 0.720 75.8-155.6 78.7 112.7 29.4 -24.0 -8.9 261 262 A Q + 0 0 60 -79,-0.1 2,-0.3 1,-0.0 -42,-0.1 0.584 63.1 37.0 -98.7 -13.6 29.5 -24.2 -5.1 262 263 A T S > S- 0 0 34 -43,-0.1 4,-1.6 -80,-0.1 5,-0.1 -0.941 75.0-117.7-138.5 160.3 29.5 -20.6 -3.8 263 264 A A H > S+ 0 0 22 -2,-0.3 4,-2.6 1,-0.2 5,-0.1 0.836 116.3 55.6 -64.4 -32.6 28.0 -17.3 -4.8 264 265 A D H > S+ 0 0 82 2,-0.2 4,-2.8 1,-0.2 -1,-0.2 0.861 102.8 53.6 -70.6 -35.5 31.5 -16.0 -5.3 265 266 A Q H > S+ 0 0 1 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.892 111.4 47.1 -65.0 -36.3 32.4 -18.7 -7.8 266 267 A L H X S+ 0 0 0 -4,-1.6 4,-1.7 2,-0.2 3,-0.3 0.958 112.0 49.3 -67.2 -48.6 29.3 -17.7 -9.7 267 268 A R H X S+ 0 0 64 -4,-2.6 4,-1.9 1,-0.3 -2,-0.2 0.895 110.7 51.4 -56.1 -40.7 30.2 -14.1 -9.5 268 269 A F H X S+ 0 0 9 -4,-2.8 4,-2.9 1,-0.2 -1,-0.3 0.828 102.2 60.2 -66.7 -31.3 33.7 -15.0 -10.7 269 270 A S H X S+ 0 0 0 -4,-1.6 4,-2.4 -3,-0.3 -1,-0.2 0.896 105.4 48.9 -61.6 -41.3 32.1 -16.9 -13.7 270 271 A Y H X S+ 0 0 0 -4,-1.7 4,-3.3 2,-0.2 5,-0.3 0.955 111.1 49.5 -61.7 -52.6 30.6 -13.6 -14.8 271 272 A L H X S+ 0 0 50 -4,-1.9 4,-2.6 1,-0.2 5,-0.3 0.931 111.9 48.4 -51.9 -51.8 33.9 -11.8 -14.5 272 273 A A H X S+ 0 0 0 -4,-2.9 4,-2.6 2,-0.2 -1,-0.2 0.931 115.9 43.0 -56.0 -50.2 35.8 -14.5 -16.5 273 274 A V H X S+ 0 0 0 -4,-2.4 4,-2.4 2,-0.2 -2,-0.2 0.945 112.9 50.9 -63.6 -50.4 33.2 -14.5 -19.3 274 275 A I H X S+ 0 0 28 -4,-3.3 4,-0.6 1,-0.2 -1,-0.2 0.913 116.4 42.5 -54.2 -44.9 32.8 -10.8 -19.5 275 276 A E H >X S+ 0 0 45 -4,-2.6 3,-0.8 -5,-0.3 4,-0.5 0.866 112.1 53.9 -70.6 -36.7 36.6 -10.4 -19.7 276 277 A G H >X S+ 0 0 0 -4,-2.6 4,-1.9 -5,-0.3 3,-0.9 0.809 93.0 72.6 -67.5 -29.4 36.9 -13.3 -22.1 277 278 A A H 3X S+ 0 0 14 -4,-2.4 4,-2.6 1,-0.2 -1,-0.2 0.845 85.9 66.5 -53.7 -36.3 34.4 -11.7 -24.4 278 279 A K H <<>S+ 0 0 100 -3,-0.8 5,-2.5 -4,-0.6 -1,-0.2 0.901 106.3 40.1 -53.5 -45.4 37.0 -9.1 -25.4 279 280 A F H X<5S+ 0 0 48 -3,-0.9 3,-2.3 -4,-0.5 -1,-0.2 0.953 112.0 55.7 -68.4 -51.9 39.1 -11.9 -27.1 280 281 A I H 3<5S+ 0 0 9 -4,-1.9 -2,-0.2 1,-0.3 -1,-0.2 0.866 107.7 50.7 -48.6 -41.9 36.2 -13.6 -28.6 281 282 A M T 3<5S- 0 0 91 -4,-2.6 -1,-0.3 -5,-0.2 -2,-0.2 0.177 132.9 -78.8 -88.1 18.8 35.0 -10.4 -30.3 282 283 A G T < 5S+ 0 0 61 -3,-2.3 2,-1.2 -5,-0.1 -3,-0.2 0.410 95.2 114.8 108.7 -6.6 38.4 -9.6 -31.9 283 284 A D > < + 0 0 68 -5,-2.5 3,-1.6 -6,-0.2 4,-0.2 -0.559 28.6 159.9 -97.0 70.1 40.6 -8.0 -29.3 284 285 A S T >> + 0 0 62 -2,-1.2 3,-1.3 1,-0.3 4,-0.6 0.613 59.1 80.4 -67.0 -11.3 43.2 -10.8 -29.3 285 286 A S H >> S+ 0 0 66 1,-0.3 4,-1.2 2,-0.2 3,-0.6 0.793 80.3 69.0 -65.0 -26.0 45.8 -8.4 -27.8 286 287 A V H <> S+ 0 0 2 -3,-1.6 4,-2.4 1,-0.2 -1,-0.3 0.767 84.8 68.2 -64.1 -26.5 44.1 -9.1 -24.5 287 288 A Q H <> S+ 0 0 43 -3,-1.3 4,-1.8 1,-0.2 -1,-0.2 0.920 101.6 46.7 -59.3 -43.5 45.4 -12.7 -24.5 288 289 A D H S+ 0 0 95 -4,-1.8 5,-0.9 1,-0.2 4,-0.6 0.881 111.2 44.1 -55.1 -41.1 49.6 -14.0 -19.7 292 293 A E H ><5S+ 0 0 144 -4,-1.6 3,-1.0 1,-0.2 -2,-0.2 0.948 114.4 47.9 -69.4 -50.7 51.4 -11.0 -18.2 293 294 A L H 3<5S+ 0 0 101 -4,-2.6 -2,-0.2 1,-0.3 -1,-0.2 0.759 104.0 61.4 -63.1 -27.9 48.9 -10.5 -15.4 294 295 A S H 3<5S- 0 0 9 -4,-2.4 -1,-0.3 -5,-0.2 -2,-0.2 0.760 92.8-145.7 -72.2 -23.8 48.9 -14.2 -14.5 295 296 A H T <<5 + 0 0 134 -3,-1.0 -3,-0.1 -4,-0.6 -2,-0.1 0.891 36.1 162.7 60.2 41.7 52.6 -14.1 -13.7 296 297 A E < 0 0 5 -5,-0.9 -146,-3.3 -146,-0.1 -144,-0.2 0.726 360.0 360.0 -65.5 -23.4 53.0 -17.6 -15.0 297 298 A D 0 0 160 -148,-0.2 -148,-0.1 -5,-0.1 -149,-0.0 -0.753 360.0 360.0 -88.0 360.0 56.8 -17.3 -15.4