==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 16-APR-00 1C88 . COMPND 2 MOLECULE: PROTEIN (PROTEIN-TYROSINE PHOSPHATASE 1B); . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR L.F.IVERSEN,H.S.ANDERSEN,S.B.MORTENSEN,N.P.MOLLER . 297 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13249.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 221 74.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 16 5.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 38 12.8 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 . 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 . 32 10.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 28 9.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 93 31.3 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 0 2 0 3 0 1 0 0 0 0 1 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 . 0 2 1 0 0 1 0 1 1 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 . 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 77 0, 0.0 4,-2.3 0, 0.0 3,-0.3 0.000 360.0 360.0 360.0 129.1 69.6 16.1 20.6 2 3 A M H > + 0 0 11 242,-0.3 4,-2.3 239,-0.2 5,-0.1 0.761 360.0 59.3 -47.0 -28.7 66.7 16.5 18.0 3 4 A E H > S+ 0 0 93 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.940 104.2 44.8 -77.9 -39.5 68.5 19.8 17.1 4 5 A K H > S+ 0 0 127 -3,-0.3 4,-2.6 2,-0.2 -2,-0.2 0.915 115.3 50.5 -63.3 -44.9 71.9 18.1 16.1 5 6 A E H X S+ 0 0 55 -4,-2.3 4,-2.9 2,-0.2 5,-0.3 0.926 105.7 55.7 -57.4 -45.1 69.8 15.5 14.2 6 7 A F H X S+ 0 0 18 -4,-2.3 4,-3.0 -5,-0.2 -2,-0.2 0.955 109.0 48.1 -52.7 -49.6 68.0 18.3 12.5 7 8 A E H X S+ 0 0 109 -4,-2.2 4,-3.3 1,-0.2 5,-0.3 0.910 111.0 48.4 -56.9 -52.8 71.3 19.7 11.4 8 9 A Q H X S+ 0 0 111 -4,-2.6 4,-3.1 2,-0.2 -1,-0.2 0.948 114.3 48.4 -47.4 -50.4 72.6 16.3 10.1 9 10 A I H X>S+ 0 0 6 -4,-2.9 5,-2.1 2,-0.2 4,-0.9 0.962 115.8 42.0 -59.2 -54.0 69.3 15.8 8.2 10 11 A D H ><5S+ 0 0 65 -4,-3.0 3,-1.5 -5,-0.3 -1,-0.2 0.964 114.8 51.0 -56.3 -54.7 69.4 19.2 6.7 11 12 A K H 3<5S+ 0 0 151 -4,-3.3 -1,-0.2 1,-0.3 -2,-0.2 0.932 117.0 39.2 -54.1 -47.6 73.1 19.1 5.9 12 13 A S H 3<5S- 0 0 77 -4,-3.1 -1,-0.3 -5,-0.3 -2,-0.2 0.515 106.3-130.3 -84.4 2.2 72.8 15.7 4.1 13 14 A G T <<5 + 0 0 63 -3,-1.5 3,-0.2 -4,-0.9 -3,-0.2 0.909 62.0 135.7 56.3 45.6 69.5 16.7 2.5 14 15 A S >< + 0 0 31 -5,-2.1 4,-2.4 1,-0.1 5,-0.2 0.043 13.1 119.9-123.1 37.3 67.8 13.6 3.6 15 16 A W H > S+ 0 0 24 -6,-0.2 4,-2.9 1,-0.2 5,-0.2 0.885 80.6 56.1 -56.6 -39.1 64.4 14.5 4.9 16 17 A A H > S+ 0 0 67 -3,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.898 109.3 43.5 -65.1 -38.5 62.8 12.3 2.2 17 18 A A H > S+ 0 0 32 2,-0.2 4,-3.1 3,-0.2 5,-0.2 0.961 114.6 50.4 -67.4 -48.7 64.8 9.1 3.2 18 19 A I H X S+ 0 0 32 -4,-2.4 4,-2.5 1,-0.2 -2,-0.2 0.960 113.4 45.5 -50.5 -52.9 64.1 9.8 6.9 19 20 A Y H X S+ 0 0 14 -4,-2.9 4,-2.5 1,-0.2 -1,-0.2 0.912 112.8 50.2 -62.5 -43.5 60.4 10.2 6.2 20 21 A Q H X S+ 0 0 111 -4,-2.2 4,-2.9 2,-0.2 -1,-0.2 0.879 105.7 57.7 -57.9 -41.9 60.3 7.1 3.9 21 22 A D H X S+ 0 0 70 -4,-3.1 4,-2.2 1,-0.2 5,-0.2 0.980 107.9 47.0 -57.9 -47.0 62.0 5.1 6.6 22 23 A I H X S+ 0 0 2 -4,-2.5 4,-1.2 1,-0.2 -2,-0.2 0.951 111.1 50.6 -57.6 -51.1 59.1 6.1 8.9 23 24 A R H < S+ 0 0 116 -4,-2.5 3,-0.5 1,-0.2 -1,-0.2 0.921 110.7 50.7 -54.9 -40.7 56.5 5.1 6.3 24 25 A H H < S+ 0 0 163 -4,-2.9 -1,-0.2 1,-0.2 -2,-0.2 0.838 115.3 41.0 -58.9 -42.0 58.2 1.7 5.8 25 26 A E H < S+ 0 0 112 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.500 87.9 118.7 -84.3 -11.6 58.3 0.9 9.5 26 27 A A S < S- 0 0 24 -4,-1.2 225,-0.1 -3,-0.5 226,-0.1 -0.359 72.5 -97.2 -64.5 147.7 54.8 2.2 10.3 27 28 A S - 0 0 39 224,-0.3 2,-0.6 230,-0.1 -1,-0.1 -0.203 26.8-151.8 -60.6 147.6 52.3 -0.4 11.6 28 29 A D + 0 0 155 230,-0.1 -1,-0.1 23,-0.0 227,-0.1 -0.875 24.8 163.9-123.0 104.8 49.8 -2.1 9.4 29 30 A F - 0 0 81 -2,-0.6 229,-0.1 1,-0.1 227,-0.0 -0.831 42.1 -88.3-115.1 158.3 46.6 -3.2 11.2 30 31 A P - 0 0 89 0, 0.0 22,-2.9 0, 0.0 23,-0.4 -0.232 25.7-172.4 -64.4 148.7 43.2 -4.3 9.7 31 32 A C > + 0 0 19 20,-0.3 4,-1.2 21,-0.1 5,-0.1 -0.438 32.1 144.7-129.6 49.9 40.5 -1.8 8.8 32 33 A R H > + 0 0 158 1,-0.2 4,-0.6 2,-0.2 3,-0.3 0.908 69.8 51.9 -68.5 -39.1 37.9 -4.3 8.0 33 34 A V H >4 S+ 0 0 8 1,-0.2 3,-1.7 2,-0.2 6,-0.2 0.974 107.7 53.1 -61.9 -43.9 34.9 -2.3 9.4 34 35 A A H 34 S+ 0 0 1 16,-0.4 -1,-0.2 1,-0.3 -2,-0.2 0.803 110.4 49.9 -51.1 -34.2 36.0 0.8 7.3 35 36 A K H 3< S+ 0 0 107 -4,-1.2 -1,-0.3 -3,-0.3 -2,-0.2 0.365 77.6 121.1 -97.2 1.6 36.0 -1.4 4.2 36 37 A L S X< S- 0 0 57 -3,-1.7 3,-2.5 -4,-0.6 4,-0.3 -0.463 73.0-120.2 -58.8 136.9 32.6 -2.9 4.7 37 38 A P G > S+ 0 0 117 0, 0.0 3,-1.6 0, 0.0 4,-0.3 0.820 110.8 58.4 -40.1 -45.9 30.4 -2.1 1.6 38 39 A K G 3 S+ 0 0 123 1,-0.3 3,-0.2 2,-0.1 -2,-0.1 0.685 103.5 52.4 -62.5 -22.0 27.8 -0.3 3.7 39 40 A N G X S+ 0 0 0 -3,-2.5 3,-2.3 -6,-0.2 -1,-0.3 0.356 76.3 103.8 -94.6 6.6 30.4 2.2 5.0 40 41 A K G X S+ 0 0 171 -3,-1.6 3,-1.3 -4,-0.3 -1,-0.2 0.932 81.2 48.0 -59.8 -42.4 31.7 3.2 1.6 41 42 A N G 3 S+ 0 0 100 -4,-0.3 -1,-0.3 1,-0.2 48,-0.2 0.373 102.7 67.0 -77.6 6.4 29.9 6.6 1.6 42 43 A R G < S+ 0 0 23 -3,-2.3 25,-0.5 -8,-0.2 2,-0.5 0.315 89.9 74.8-100.5 3.7 31.2 7.2 5.2 43 44 A N < - 0 0 21 -3,-1.3 3,-0.1 -4,-0.2 6,-0.1 -0.977 59.7-164.3-123.1 126.7 34.8 7.5 4.0 44 45 A R S S+ 0 0 49 -2,-0.5 2,-0.4 1,-0.2 -1,-0.1 0.839 80.7 34.7 -76.7 -37.4 36.1 10.5 2.2 45 46 A Y > - 0 0 56 3,-0.4 3,-1.5 172,-0.1 -1,-0.2 -0.977 68.9-144.4-123.5 133.4 39.3 8.9 0.8 46 47 A R T 3 S+ 0 0 200 -2,-0.4 -1,-0.1 1,-0.3 3,-0.0 0.759 102.8 48.6 -66.5 -27.3 39.6 5.3 -0.3 47 48 A D T 3 S+ 0 0 83 1,-0.1 2,-0.4 -3,-0.0 -1,-0.3 0.201 98.8 75.2 -99.2 13.0 43.1 5.1 1.0 48 49 A V < + 0 0 5 -3,-1.5 -3,-0.4 2,-0.0 -4,-0.2 -0.867 58.8 149.3-129.9 109.9 42.5 6.6 4.5 49 50 A S - 0 0 4 -2,-0.4 209,-0.6 -6,-0.1 2,-0.2 -0.925 46.3-109.1-139.9 151.0 40.7 4.4 7.0 50 51 A P - 0 0 0 0, 0.0 -16,-0.4 0, 0.0 2,-0.1 -0.609 38.6-116.0 -73.2 135.4 40.6 3.9 10.8 51 52 A F >> - 0 0 3 205,-0.4 4,-0.7 -2,-0.2 3,-0.7 -0.514 23.7-121.9 -60.7 148.9 42.2 0.7 12.1 52 53 A D G >4 S+ 0 0 35 -22,-2.9 3,-0.9 1,-0.2 -21,-0.1 0.919 108.0 58.7 -59.7 -38.5 39.7 -1.6 13.7 53 54 A H G 34 S+ 0 0 101 -23,-0.4 -1,-0.2 1,-0.2 -22,-0.1 0.770 118.2 26.5 -66.6 -24.4 41.5 -1.7 17.0 54 55 A S G <4 S+ 0 0 11 -3,-0.7 16,-3.1 202,-0.1 -1,-0.2 0.316 86.9 127.8-119.7 5.8 41.4 2.1 17.6 55 56 A R E << -A 69 0A 29 -3,-0.9 2,-0.5 -4,-0.7 14,-0.3 -0.364 61.4-117.3 -69.1 148.9 38.4 3.3 15.7 56 57 A I E - 0 0 8 12,-2.3 10,-0.6 10,-0.3 2,-0.5 -0.722 27.6-148.8 -80.7 126.1 35.7 5.4 17.5 57 58 A K E -A 65 0A 110 -2,-0.5 8,-0.2 8,-0.1 2,-0.2 -0.815 10.0-131.0 -95.1 131.3 32.4 3.6 17.6 58 59 A L - 0 0 4 6,-2.9 2,-2.0 -2,-0.5 39,-0.0 -0.536 23.7-119.9 -67.1 144.1 29.2 5.6 17.6 59 60 A H S S+ 0 0 124 -2,-0.2 2,-0.3 37,-0.1 -1,-0.1 -0.513 78.4 109.4 -91.9 71.0 26.8 4.6 20.3 60 61 A Q - 0 0 49 -2,-2.0 -2,-0.1 1,-0.1 77,-0.0 -0.984 63.2-145.4-140.6 149.0 24.1 3.6 17.8 61 62 A E S S+ 0 0 206 -2,-0.3 3,-0.2 2,-0.1 -1,-0.1 0.698 91.8 65.9 -88.4 -22.8 22.8 0.1 16.9 62 63 A D S S- 0 0 128 1,-0.2 2,-0.2 2,-0.0 -1,-0.1 0.962 128.2 -23.3 -60.7 -53.6 22.1 0.9 13.2 63 64 A N - 0 0 11 1,-0.0 -1,-0.2 -24,-0.0 -2,-0.1 -0.749 54.5-167.9-164.9 108.9 25.7 1.5 12.2 64 65 A D + 0 0 45 -2,-0.2 -6,-2.9 -3,-0.2 2,-0.4 0.365 49.1 123.2 -85.2 6.4 28.4 2.5 14.7 65 66 A Y E +A 57 0A 0 -8,-0.2 2,-0.3 -32,-0.1 -8,-0.1 -0.551 23.7 155.4 -83.1 127.4 31.0 3.4 12.0 66 67 A I E - 0 0 7 -10,-0.6 2,-2.0 -2,-0.4 -10,-0.3 -0.991 50.8-112.5-133.6 147.4 32.8 6.8 11.6 67 68 A N E S+ 0 0 1 -25,-0.5 17,-1.5 -2,-0.3 2,-0.3 -0.526 79.1 109.4 -76.1 87.7 36.1 7.4 10.0 68 69 A A E - B 0 83A 0 -2,-2.0 -12,-2.3 15,-0.2 2,-0.3 -0.973 47.5-157.8-162.2 146.0 37.9 8.4 13.3 69 70 A S E -AB 55 82A 0 13,-2.4 13,-2.6 -2,-0.3 2,-0.6 -0.977 20.1-125.1-133.9 150.3 40.5 7.0 15.7 70 71 A L E - B 0 81A 54 -16,-3.1 2,-0.8 -2,-0.3 11,-0.2 -0.770 19.5-162.8 -91.2 119.3 41.5 7.3 19.2 71 72 A I E - B 0 80A 0 9,-3.5 9,-2.1 -2,-0.6 2,-0.7 -0.892 11.2-171.9 -99.2 105.7 45.2 8.2 19.5 72 73 A K E - B 0 79A 116 -2,-0.8 2,-0.8 7,-0.2 7,-0.2 -0.904 8.9-161.7-105.2 109.5 46.0 7.3 23.1 73 74 A M E >> - B 0 78A 11 5,-2.6 4,-1.5 -2,-0.7 5,-1.5 -0.832 8.5-172.3 -96.9 101.7 49.6 8.5 24.0 74 75 A E T 45S+ 0 0 158 -2,-0.8 3,-0.5 2,-0.2 -1,-0.2 0.979 78.9 40.4 -62.8 -61.0 50.3 6.4 27.2 75 76 A E T 45S+ 0 0 116 1,-0.2 -1,-0.2 2,-0.1 -2,-0.1 0.917 119.7 46.0 -49.2 -51.3 53.5 7.9 28.4 76 77 A A T 45S- 0 0 7 2,-0.1 -1,-0.2 1,-0.0 -2,-0.2 0.686 100.9-136.4 -71.0 -22.4 52.5 11.5 27.6 77 78 A Q T <5 + 0 0 136 -4,-1.5 2,-0.3 -3,-0.5 -3,-0.2 0.958 63.3 115.3 61.0 48.5 49.1 11.0 29.2 78 79 A R E < -B 73 0A 44 -5,-1.5 -5,-2.6 2,-0.0 2,-0.3 -0.972 43.3-165.9-142.7 139.5 47.2 12.7 26.3 79 80 A S E -B 72 0A 41 -2,-0.3 132,-0.6 -7,-0.2 2,-0.3 -0.902 4.2-174.6-116.0 157.1 44.6 11.3 23.9 80 81 A Y E -Bc 71 211A 0 -9,-2.1 -9,-3.5 -2,-0.3 2,-0.5 -0.990 21.9-135.7-136.4 153.6 43.2 12.8 20.7 81 82 A I E -Bc 70 212A 0 130,-3.0 132,-3.3 -2,-0.3 2,-0.5 -0.949 22.3-161.7 -99.0 123.7 40.5 11.7 18.3 82 83 A L E +Bc 69 213A 1 -13,-2.6 -13,-2.4 -2,-0.5 2,-0.3 -0.937 19.8 163.7-105.8 133.0 41.7 12.2 14.7 83 84 A T E -Bc 68 214A 3 130,-1.9 132,-0.7 -2,-0.5 -15,-0.2 -0.924 35.5-103.3-145.1 158.7 39.0 12.2 12.1 84 85 A Q - 0 0 5 -17,-1.5 133,-0.3 -2,-0.3 132,-0.2 -0.345 55.3 -77.1 -75.3 168.5 38.4 13.2 8.4 85 86 A G - 0 0 0 131,-3.1 -1,-0.1 34,-0.3 131,-0.1 -0.543 65.7-101.1 -61.5 121.8 36.6 16.3 7.3 86 87 A P - 0 0 2 0, 0.0 35,-2.6 0, 0.0 5,-0.1 -0.059 34.5-133.0 -49.8 144.4 32.9 15.4 7.8 87 88 A L >> - 0 0 21 33,-0.2 3,-2.1 -45,-0.1 4,-0.5 -0.549 31.8 -98.2 -88.2 160.7 31.0 14.3 4.6 88 89 A P T 34 S+ 0 0 117 0, 0.0 4,-0.1 0, 0.0 3,-0.1 0.687 126.9 42.7 -60.3 -14.1 27.5 15.8 3.8 89 90 A N T 34 S+ 0 0 67 -48,-0.2 4,-0.2 1,-0.1 -48,-0.0 0.330 112.0 52.3-106.1 0.2 26.0 12.6 5.3 90 91 A T T <> S+ 0 0 6 -3,-2.1 4,-2.5 2,-0.1 5,-0.1 0.219 74.0 97.9-122.9 18.2 28.3 12.2 8.3 91 92 A C H X S+ 0 0 14 -4,-0.5 4,-1.9 2,-0.2 5,-0.2 0.909 87.9 50.6 -68.6 -35.2 28.0 15.6 10.0 92 93 A G H > S+ 0 0 4 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.920 110.5 48.5 -62.8 -41.6 25.4 14.2 12.3 93 94 A H H > S+ 0 0 11 -4,-0.2 4,-2.8 2,-0.2 5,-0.2 0.907 108.0 56.6 -64.5 -43.7 27.8 11.2 13.1 94 95 A F H X S+ 0 0 2 -4,-2.5 4,-2.5 2,-0.2 -2,-0.2 0.970 111.9 39.5 -49.8 -57.6 30.6 13.8 13.8 95 96 A W H X S+ 0 0 0 -4,-1.9 4,-2.9 2,-0.2 -2,-0.2 0.828 111.6 59.6 -68.6 -31.0 28.6 15.7 16.5 96 97 A E H X S+ 0 0 15 -4,-2.4 4,-3.0 2,-0.2 5,-0.3 0.959 108.7 44.4 -53.3 -50.1 27.3 12.4 17.8 97 98 A M H X S+ 0 0 0 -4,-2.8 4,-2.4 2,-0.2 6,-0.3 0.900 111.1 52.5 -64.7 -43.3 30.9 11.4 18.4 98 99 A V H X>S+ 0 0 0 -4,-2.5 5,-1.4 -5,-0.2 4,-0.8 0.979 114.9 43.8 -53.0 -50.4 31.8 14.8 20.0 99 100 A W H ><5S+ 0 0 26 -4,-2.9 3,-1.1 2,-0.2 -2,-0.2 0.963 117.7 41.3 -57.6 -57.8 28.8 14.4 22.3 100 101 A E H 3<5S+ 0 0 30 -4,-3.0 -1,-0.2 1,-0.3 -3,-0.2 0.828 116.2 50.0 -68.5 -28.9 29.3 10.7 23.3 101 102 A Q H 3<5S- 0 0 45 -4,-2.4 -1,-0.3 -5,-0.3 -2,-0.2 0.533 104.9-131.6 -87.9 -9.0 33.1 11.1 23.6 102 103 A K T <<5 + 0 0 121 -3,-1.1 107,-3.1 -4,-0.8 -3,-0.2 0.736 41.0 171.4 69.5 26.9 32.7 14.2 25.8 103 104 A S B < -i 209 0B 3 -5,-1.4 -1,-0.2 -6,-0.3 108,-0.1 -0.429 26.7-165.1 -72.2 150.3 35.1 16.3 24.0 104 105 A R + 0 0 50 105,-0.6 68,-2.8 99,-0.5 2,-0.4 0.679 69.5 41.4 -99.9 -32.1 35.4 20.0 24.8 105 106 A G E -d 172 0A 0 98,-0.4 107,-2.5 104,-0.2 2,-0.4 -0.921 54.1-161.2-125.9 150.4 37.4 21.1 21.7 106 107 A V E -de 173 212A 0 66,-2.6 68,-3.1 -2,-0.4 2,-0.7 -0.994 12.2-157.7-126.7 123.5 37.4 20.6 18.0 107 108 A V E -de 174 213A 0 105,-3.5 107,-3.1 -2,-0.4 2,-0.6 -0.912 7.4-169.7-105.4 114.1 40.6 21.6 16.1 108 109 A M E +de 175 214A 0 66,-2.7 68,-2.9 -2,-0.7 107,-0.2 -0.924 9.4 176.5-104.0 112.8 40.0 22.2 12.4 109 110 A L + 0 0 0 105,-2.8 2,-0.3 -2,-0.6 70,-0.2 0.351 58.5 58.0-101.9 5.3 43.2 22.6 10.4 110 111 A N S S- 0 0 1 104,-0.2 2,-0.2 105,-0.1 66,-0.1 -0.843 75.8-118.3-123.6 165.5 41.8 22.9 6.9 111 112 A R - 0 0 101 -2,-0.3 8,-0.2 68,-0.2 3,-0.1 -0.615 30.7-115.5 -94.6 164.4 39.4 25.2 4.9 112 113 A V S S+ 0 0 33 -2,-0.2 7,-2.9 1,-0.2 8,-0.9 0.924 107.3 41.7 -66.3 -38.8 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-5,-0.2 -2,-0.2 0.599 89.8-137.0-101.7 -9.7 60.5 15.2 32.2 239 239 A K T <5S+ 0 0 115 -4,-1.5 -3,-0.2 -3,-0.3 -4,-0.1 0.826 72.5 117.0 43.3 40.4 62.1 18.6 31.6 240 240 A D > < + 0 0 75 -5,-1.0 3,-1.2 -6,-0.2 4,-0.2 -0.768 41.7 179.0-134.6 85.9 64.4 16.7 29.5 241 241 A P G > S+ 0 0 28 0, 0.0 3,-2.3 0, 0.0 -239,-0.2 0.915 80.1 60.4 -58.3 -29.2 64.4 17.7 25.7 242 242 A S G 3 S+ 0 0 72 1,-0.3 -2,-0.0 -241,-0.1 -7,-0.0 0.642 94.2 63.6 -80.0 -8.6 67.1 15.2 24.8 243 243 A S G < S+ 0 0 42 -3,-1.2 2,-0.6 -8,-0.1 -1,-0.3 0.570 82.4 95.6 -82.2 -7.2 65.1 12.4 25.9 244 244 A V < - 0 0 10 -3,-2.3 2,-0.8 -4,-0.2 -242,-0.3 -0.786 54.6-167.2 -91.0 126.2 62.4 13.1 23.3 245 245 A D > - 0 0 66 -2,-0.6 4,-2.4 1,-0.2 5,-0.2 -0.879 2.9-165.9-114.2 99.9 62.8 11.1 20.0 246 246 A I H > S+ 0 0 2 -2,-0.8 4,-2.9 1,-0.2 -1,-0.2 0.864 84.4 48.9 -53.8 -44.2 60.4 12.7 17.6 247 247 A K H > S+ 0 0 52 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.908 111.8 49.2 -69.6 -35.0 60.4 9.8 15.0 248 248 A K H > S+ 0 0 142 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.914 109.7 52.1 -70.6 -37.4 59.8 7.2 17.6 249 249 A V H X S+ 0 0 16 -4,-2.4 4,-2.6 2,-0.2 -2,-0.2 0.937 110.1 50.0 -58.9 -46.0 56.9 9.4 19.0 250 250 A L H X S+ 0 0 0 -4,-2.9 4,-2.6 2,-0.2 -2,-0.2 0.931 108.9 51.3 -61.2 -40.8 55.4 9.5 15.4 251 251 A L H X S+ 0 0 35 -4,-2.5 4,-0.8 2,-0.2 -224,-0.3 0.926 109.0 51.5 -66.3 -33.2 55.7 5.7 15.0 252 252 A D H >< S+ 0 0 49 -4,-2.3 3,-1.1 1,-0.2 4,-0.4 0.960 109.6 48.2 -69.9 -39.7 53.9 5.3 18.2 253 253 A M H >X S+ 0 0 1 -4,-2.6 3,-1.9 1,-0.2 4,-0.9 0.901 103.1 62.8 -61.1 -37.3 51.1 7.5 17.1 254 254 A R H 3< S+ 0 0 12 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.656 87.6 73.5 -68.5 -6.3 51.0 5.6 13.7 255 255 A K T << S+ 0 0 90 -3,-1.1 -1,-0.3 -4,-0.8 -2,-0.2 0.822 104.5 39.0 -66.2 -26.7 50.0 2.5 15.8 256 256 A F T <4 S+ 0 0 40 -3,-1.9 -205,-0.4 -4,-0.4 2,-0.3 0.669 129.5 12.1-105.6 -20.2 46.6 4.2 16.2 257 257 A R S >< S- 0 0 0 -4,-0.9 3,-0.6 -207,-0.1 -1,-0.3 -0.916 76.4-117.6-150.8 145.2 46.0 5.7 12.8 258 258 A M T 3 S+ 0 0 52 -209,-0.6 -230,-0.1 -2,-0.3 -3,-0.1 -0.212 85.8 19.1 -66.7 155.1 47.7 5.3 9.4 259 259 A G T 3 + 0 0 11 1,-0.2 -1,-0.2 -236,-0.1 2,-0.2 0.585 69.8 176.2 80.1 8.1 49.5 8.0 7.4 260 260 A L < + 0 0 0 -3,-0.6 -40,-0.2 -10,-0.1 -1,-0.2 -0.384 68.1 18.3 -62.7 122.8 50.1 10.5 10.2 261 261 A I S S- 0 0 0 -42,-2.5 -41,-0.2 -2,-0.2 -40,-0.1 0.745 77.2-152.3 71.6 113.5 52.2 13.4 8.7 262 262 A Q + 0 0 41 1,-0.0 2,-0.3 2,-0.0 -42,-0.1 0.504 65.1 32.8 -99.6 -10.3 51.8 13.2 4.9 263 263 A T S > S- 0 0 33 -43,-0.1 4,-1.5 -80,-0.1 5,-0.1 -0.970 74.8-115.6-147.0 164.4 55.0 14.7 3.6 264 264 A A H > S+ 0 0 22 -2,-0.3 4,-2.6 1,-0.2 5,-0.1 0.862 113.0 56.1 -72.1 -28.3 58.6 15.0 4.5 265 265 A D H > S+ 0 0 82 1,-0.2 4,-3.4 2,-0.2 -1,-0.2 0.897 102.0 55.0 -74.3 -30.8 58.4 18.7 4.9 266 266 A Q H > S+ 0 0 0 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.898 108.6 50.3 -64.2 -34.5 55.7 18.5 7.4 267 267 A L H X S+ 0 0 0 -4,-1.5 4,-1.8 2,-0.2 -2,-0.2 0.956 111.1 48.2 -62.0 -49.5 58.1 16.1 9.4 268 268 A R H X S+ 0 0 66 -4,-2.6 4,-2.1 1,-0.2 3,-0.3 0.951 109.4 53.8 -50.9 -49.5 60.8 18.8 9.0 269 269 A F H X S+ 0 0 10 -4,-3.4 4,-2.9 1,-0.2 5,-0.2 0.888 103.6 56.9 -54.3 -44.7 58.3 21.4 10.2 270 270 A S H X S+ 0 0 0 -4,-2.2 4,-2.7 1,-0.2 -1,-0.2 0.892 104.5 50.7 -58.1 -43.5 57.6 19.3 13.4 271 271 A Y H X S+ 0 0 0 -4,-1.8 4,-3.0 -3,-0.3 5,-0.2 0.950 111.3 49.4 -57.4 -44.5 61.2 19.3 14.4 272 272 A L H X S+ 0 0 49 -4,-2.1 4,-2.8 1,-0.2 5,-0.3 0.944 112.8 47.0 -58.6 -45.4 61.2 23.1 14.0 273 273 A A H X S+ 0 0 0 -4,-2.9 4,-2.2 1,-0.2 -1,-0.2 0.919 115.6 43.7 -63.4 -44.1 58.0 23.5 16.0 274 274 A V H X S+ 0 0 0 -4,-2.7 4,-2.0 -5,-0.2 -1,-0.2 0.928 112.9 51.9 -71.5 -39.2 59.2 21.2 18.9 275 275 A I H X S+ 0 0 27 -4,-3.0 4,-0.6 -5,-0.2 -2,-0.2 0.956 116.3 40.6 -59.0 -46.4 62.7 22.7 18.9 276 276 A E H >X S+ 0 0 37 -4,-2.8 3,-1.0 -5,-0.2 4,-0.6 0.899 113.8 53.6 -67.7 -39.1 61.3 26.3 19.2 277 277 A G H >X S+ 0 0 0 -4,-2.2 4,-2.3 -5,-0.3 3,-0.7 0.827 93.2 72.3 -63.8 -32.2 58.5 25.1 21.6 278 278 A A H 3X S+ 0 0 14 -4,-2.0 4,-2.5 1,-0.2 -1,-0.2 0.848 87.1 65.6 -54.6 -33.4 61.2 23.6 23.9 279 279 A K H <<>S+ 0 0 103 -3,-1.0 5,-2.3 -4,-0.6 -1,-0.2 0.908 105.9 41.0 -53.2 -47.6 62.2 27.2 24.8 280 280 A F H X<5S+ 0 0 44 -3,-0.7 3,-2.5 -4,-0.6 -2,-0.2 0.972 115.0 51.6 -64.3 -54.6 58.8 27.7 26.5 281 281 A I H 3<5S+ 0 0 2 -4,-2.3 -2,-0.2 1,-0.3 -1,-0.2 0.848 105.3 57.2 -53.9 -35.8 58.8 24.2 28.1 282 282 A M T 3<5S- 0 0 86 -4,-2.5 -1,-0.3 -5,-0.2 -2,-0.2 0.179 131.6 -79.6 -91.4 22.5 62.2 24.8 29.5 283 283 A G T < 5S+ 0 0 65 -3,-2.5 2,-0.8 1,-0.1 -3,-0.2 0.460 96.1 108.9 108.9 1.2 61.3 27.9 31.5 284 284 A D > < + 0 0 68 -5,-2.3 3,-0.9 1,-0.2 4,-0.3 -0.753 30.2 169.3-103.9 94.3 61.2 30.9 29.2 285 285 A S T >> + 0 0 74 -2,-0.8 3,-2.1 1,-0.2 4,-0.6 0.811 64.9 80.1 -72.9 -18.6 57.5 31.8 29.0 286 286 A S H 3> S+ 0 0 51 1,-0.3 4,-2.2 2,-0.2 3,-0.3 0.828 77.4 71.8 -55.4 -31.1 58.4 35.1 27.3 287 287 A V H <> S+ 0 0 2 -3,-0.9 4,-3.0 1,-0.2 -1,-0.3 0.890 88.8 64.0 -51.6 -31.9 58.8 33.3 24.0 288 288 A Q H <> S+ 0 0 37 -3,-2.1 4,-2.4 -4,-0.3 -1,-0.2 0.949 103.1 45.8 -61.3 -45.5 55.0 32.8 24.0 289 289 A D H X S+ 0 0 108 -4,-0.6 4,-2.6 -3,-0.3 5,-0.2 0.918 110.7 54.2 -60.8 -43.0 54.5 36.6 23.8 290 290 A Q H X S+ 0 0 94 -4,-2.2 4,-2.8 1,-0.2 -2,-0.2 0.944 107.4 50.1 -58.7 -45.0 57.1 36.6 21.0 291 291 A W H X S+ 0 0 2 -4,-3.0 4,-1.8 2,-0.2 -2,-0.2 0.930 108.5 53.5 -54.4 -45.7 55.2 33.9 19.1 292 292 A K H <>S+ 0 0 82 -4,-2.4 5,-0.9 2,-0.2 3,-0.3 0.959 111.9 42.9 -56.7 -49.6 52.0 35.9 19.4 293 293 A E H ><5S+ 0 0 142 -4,-2.6 3,-2.0 1,-0.2 -2,-0.2 0.962 113.1 53.4 -58.7 -50.0 53.6 39.1 18.0 294 294 A L H 3<5S+ 0 0 99 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.805 104.2 55.2 -55.7 -30.4 55.4 37.1 15.2 295 295 A S T 3<5S- 0 0 7 -4,-1.8 -1,-0.3 -3,-0.3 -2,-0.2 0.355 98.0-138.4 -91.6 6.0 52.2 35.5 14.0 296 296 A H T < 5 + 0 0 138 -3,-2.0 -145,-0.3 -4,-0.2 -3,-0.1 0.873 31.4 176.2 46.5 55.8 50.5 38.9 13.5 297 297 A E < 0 0 9 -5,-0.9 -146,-2.2 -147,-0.1 -145,-0.2 0.718 360.0 360.0 -71.3 -16.9 47.4 37.6 15.0 298 298 A D 0 0 143 -148,-0.2 -1,-0.0 -147,-0.1 -147,-0.0 0.722 360.0 360.0-117.4 360.0 45.4 40.9 14.8