==== 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 3QKP . 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 . 291 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13292.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 209 71.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 16 5.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 40 13.7 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 . 28 9.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 28 9.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 85 29.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 2.4 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 2 0 0 0 1 0 1 2 1 0 0 0 0 0 2 0 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 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 1 A M >> 0 0 66 0, 0.0 3,-1.2 0, 0.0 4,-1.0 0.000 360.0 360.0 360.0 137.5 19.3 -20.6 23.3 2 2 A E H 3> + 0 0 113 1,-0.3 4,-2.2 2,-0.2 5,-0.2 0.763 360.0 61.3 -57.2 -31.0 18.5 -17.4 21.4 3 3 A M H 3> S+ 0 0 4 238,-0.6 4,-2.7 1,-0.2 -1,-0.3 0.864 102.3 52.6 -65.7 -33.5 21.5 -17.8 19.1 4 4 A E H <> S+ 0 0 70 -3,-1.2 4,-1.7 2,-0.2 -1,-0.2 0.761 107.8 51.7 -73.1 -26.7 20.1 -21.1 17.9 5 5 A K H X S+ 0 0 135 -4,-1.0 4,-1.4 2,-0.2 -2,-0.2 0.909 111.6 46.0 -71.9 -44.6 16.8 -19.4 17.1 6 6 A E H X S+ 0 0 54 -4,-2.2 4,-2.4 2,-0.2 3,-0.5 0.948 111.4 52.0 -63.5 -49.4 18.6 -16.7 15.1 7 7 A F H X S+ 0 0 18 -4,-2.7 4,-2.8 1,-0.2 5,-0.2 0.941 111.2 47.3 -49.1 -53.5 20.7 -19.2 13.2 8 8 A E H X S+ 0 0 115 -4,-1.7 4,-1.8 1,-0.2 -1,-0.2 0.745 113.0 48.6 -65.2 -25.4 17.6 -21.2 12.2 9 9 A Q H X S+ 0 0 108 -4,-1.4 4,-0.8 -3,-0.5 -1,-0.2 0.786 112.1 47.8 -86.5 -28.8 15.7 -18.1 11.1 10 10 A I H <>S+ 0 0 12 -4,-2.4 5,-1.8 2,-0.2 3,-0.4 0.914 115.6 45.9 -72.7 -43.4 18.6 -16.9 9.0 11 11 A D H ><5S+ 0 0 58 -4,-2.8 3,-1.8 -5,-0.3 -2,-0.2 0.925 106.7 59.1 -60.5 -47.2 19.0 -20.3 7.5 12 12 A K H 3<5S+ 0 0 168 -4,-1.8 -1,-0.2 1,-0.3 -2,-0.2 0.786 116.1 34.0 -54.3 -31.7 15.3 -20.6 6.9 13 13 A S T 3<5S- 0 0 73 -4,-0.8 -1,-0.3 -3,-0.4 -2,-0.2 0.198 103.4-127.4-113.5 15.5 15.4 -17.5 4.7 14 14 A G T < 5 + 0 0 66 -3,-1.8 -3,-0.2 1,-0.1 3,-0.2 0.844 63.1 136.3 39.7 52.6 18.8 -18.0 3.2 15 15 A S >< + 0 0 31 -5,-1.8 4,-2.7 1,-0.1 5,-0.2 0.010 20.8 116.1-117.1 28.6 20.0 -14.5 4.2 16 16 A W H > S+ 0 0 19 -6,-0.2 4,-2.8 2,-0.2 5,-0.2 0.918 79.7 51.7 -61.0 -43.1 23.5 -15.3 5.4 17 17 A A H > S+ 0 0 65 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.931 111.8 47.8 -58.0 -45.1 25.0 -13.2 2.6 18 18 A A H > S+ 0 0 53 2,-0.2 4,-1.9 1,-0.2 -2,-0.2 0.895 112.6 47.6 -63.4 -41.7 22.8 -10.4 3.6 19 19 A I H X S+ 0 0 35 -4,-2.7 4,-1.6 2,-0.2 -2,-0.2 0.906 114.0 47.6 -64.3 -42.5 23.6 -10.7 7.3 20 20 A Y H X S+ 0 0 7 -4,-2.8 4,-2.0 2,-0.2 -2,-0.2 0.893 108.6 53.3 -68.4 -41.6 27.3 -10.8 6.6 21 21 A Q H X S+ 0 0 103 -4,-2.6 4,-2.3 -5,-0.2 -1,-0.2 0.912 105.2 56.1 -59.0 -42.3 27.2 -7.8 4.2 22 22 A D H X S+ 0 0 86 -4,-1.9 4,-2.2 1,-0.2 -1,-0.2 0.924 106.1 50.6 -54.4 -44.6 25.5 -5.9 7.0 23 23 A I H X S+ 0 0 4 -4,-1.6 4,-1.3 1,-0.2 -1,-0.2 0.897 108.3 52.1 -62.2 -39.5 28.5 -6.7 9.2 24 24 A R H < S+ 0 0 115 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.891 111.1 48.2 -60.7 -39.9 30.9 -5.5 6.5 25 25 A H H < S+ 0 0 168 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.871 115.3 42.3 -70.7 -38.3 29.0 -2.2 6.3 26 26 A E H < S+ 0 0 124 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.628 89.1 115.3 -86.0 -12.9 28.9 -1.6 10.0 27 27 A A S < S- 0 0 22 -4,-1.3 228,-0.1 -5,-0.2 225,-0.1 -0.238 73.5 -96.7 -64.6 146.5 32.5 -2.6 10.7 28 28 A S - 0 0 37 223,-0.4 2,-0.4 229,-0.1 -1,-0.1 -0.177 27.6-154.0 -58.5 148.8 35.1 -0.0 12.0 29 29 A D + 0 0 143 229,-0.1 226,-0.1 226,-0.0 -1,-0.1 -0.960 22.6 166.3-124.9 112.3 37.4 1.8 9.6 30 30 A F - 0 0 80 -2,-0.4 228,-0.1 1,-0.0 2,-0.0 -0.873 40.2 -89.7-121.4 159.7 40.7 3.0 11.2 31 31 A P - 0 0 59 0, 0.0 22,-2.9 0, 0.0 23,-0.4 -0.289 24.0-168.9 -70.8 150.3 43.9 4.3 9.6 32 32 A C > + 0 0 19 20,-0.3 4,-1.3 21,-0.1 20,-0.1 -0.391 32.1 146.2-129.3 50.7 46.7 1.9 8.7 33 33 A R H > + 0 0 176 1,-0.2 4,-0.6 2,-0.2 3,-0.2 0.882 69.9 48.1 -60.8 -44.0 49.3 4.6 7.9 34 34 A V H >4 S+ 0 0 34 1,-0.2 3,-1.1 2,-0.2 -1,-0.2 0.926 108.7 52.9 -69.1 -43.7 52.3 2.7 9.2 35 35 A A H 34 S+ 0 0 1 16,-0.4 -1,-0.2 1,-0.2 -2,-0.2 0.819 110.6 50.9 -53.4 -33.3 51.4 -0.5 7.3 36 36 A K H 3< S+ 0 0 117 -4,-1.3 -1,-0.2 -3,-0.2 -2,-0.2 0.510 79.0 117.6 -92.0 -8.1 51.2 1.5 4.1 37 37 A L S X< S- 0 0 65 -3,-1.1 3,-1.6 -4,-0.6 4,-0.2 -0.318 74.9-118.4 -56.5 145.1 54.5 3.3 4.3 38 38 A P G > S+ 0 0 90 0, 0.0 3,-1.7 0, 0.0 4,-0.3 0.864 111.9 60.8 -55.4 -41.7 56.9 2.5 1.4 39 39 A K G 3 S+ 0 0 129 1,-0.3 3,-0.3 2,-0.1 -2,-0.1 0.731 104.0 52.4 -61.4 -18.8 59.5 1.0 3.6 40 40 A N G X S+ 0 0 0 -3,-1.6 3,-1.7 -6,-0.2 4,-0.3 0.359 74.3 102.7-100.4 7.8 57.0 -1.6 4.8 41 41 A K G X S+ 0 0 153 -3,-1.7 3,-1.4 1,-0.3 -1,-0.2 0.899 83.3 49.1 -56.3 -45.6 55.8 -3.0 1.4 42 42 A N G 3 S+ 0 0 100 -4,-0.3 -1,-0.3 -3,-0.3 48,-0.2 0.433 103.0 63.3 -78.8 2.2 57.8 -6.2 1.7 43 43 A R G < S+ 0 0 24 -3,-1.7 2,-0.5 -8,-0.1 25,-0.5 0.419 91.0 79.8 -99.4 -1.1 56.5 -6.8 5.2 44 44 A N < - 0 0 26 -3,-1.4 3,-0.1 -4,-0.3 6,-0.1 -0.923 56.7-167.0-113.2 128.5 52.9 -7.2 4.0 45 45 A R S S+ 0 0 53 -2,-0.5 2,-0.4 1,-0.2 -1,-0.1 0.894 81.4 29.2 -76.9 -42.1 51.6 -10.3 2.4 46 46 A Y > - 0 0 68 3,-0.4 3,-1.7 171,-0.1 -1,-0.2 -0.980 66.9-146.1-125.8 126.8 48.4 -8.9 1.1 47 47 A R T 3 S+ 0 0 216 -2,-0.4 -1,-0.1 1,-0.3 3,-0.0 0.787 102.6 50.7 -59.9 -27.9 47.9 -5.3 -0.0 48 48 A D T 3 S+ 0 0 111 1,-0.1 2,-0.5 -3,-0.0 -1,-0.3 0.320 99.1 70.9 -96.0 7.3 44.3 -5.4 1.2 49 49 A V < + 0 0 5 -3,-1.7 -3,-0.4 2,-0.0 -4,-0.2 -0.887 62.1 153.5-126.9 104.3 45.0 -6.8 4.7 50 50 A S - 0 0 4 -2,-0.5 208,-0.5 -6,-0.1 2,-0.2 -0.945 43.7-112.3-131.1 147.1 46.7 -4.3 7.1 51 51 A P - 0 0 1 0, 0.0 -16,-0.4 0, 0.0 206,-0.1 -0.561 38.6-112.9 -74.2 140.6 46.9 -3.8 10.8 52 52 A F >> - 0 0 0 204,-0.5 4,-0.9 -2,-0.2 3,-0.6 -0.461 22.2-124.0 -64.7 146.1 45.2 -0.7 12.1 53 53 A D G >4 S+ 0 0 34 -22,-2.9 3,-0.7 1,-0.2 -21,-0.1 0.911 107.2 56.8 -55.8 -45.2 47.7 1.8 13.5 54 54 A H G 34 S+ 0 0 108 -23,-0.4 -1,-0.2 1,-0.2 -22,-0.1 0.743 118.6 28.5 -67.0 -22.8 46.0 2.0 16.9 55 55 A S G <4 S+ 0 0 10 -3,-0.6 16,-3.1 201,-0.1 -1,-0.2 0.343 87.0 127.8-120.0 4.8 46.2 -1.8 17.6 56 56 A R E << -A 70 0A 29 -4,-0.9 2,-0.5 -3,-0.7 14,-0.3 -0.298 61.6-118.0 -65.2 146.6 49.3 -2.9 15.8 57 57 A I E - 0 0 8 12,-2.1 10,-0.6 10,-0.3 2,-0.5 -0.736 28.9-147.1 -78.7 128.6 52.0 -4.9 17.6 58 58 A K E -A 66 0A 108 -2,-0.5 8,-0.2 8,-0.1 2,-0.1 -0.870 8.3-131.5-100.3 132.0 55.2 -2.9 17.6 59 59 A L - 0 0 5 6,-2.7 2,-0.3 -2,-0.5 39,-0.1 -0.498 21.0-123.6 -70.8 149.9 58.5 -4.8 17.5 60 60 A H S S+ 0 0 130 -2,-0.1 2,-0.3 37,-0.1 -1,-0.1 -0.169 76.8 108.6 -92.8 39.7 61.0 -3.6 20.1 61 61 A Q - 0 0 42 -2,-0.3 -2,-0.1 3,-0.1 77,-0.0 -0.878 64.6-145.1-109.1 148.1 63.7 -2.7 17.6 62 62 A E S S+ 0 0 209 -2,-0.3 3,-0.2 1,-0.1 -1,-0.1 0.504 91.3 74.3 -89.5 -5.0 64.6 0.9 16.8 63 63 A D S S- 0 0 132 1,-0.3 2,-0.3 2,-0.0 -1,-0.1 0.998 122.9 -27.8 -63.3 -77.3 65.2 -0.2 13.2 64 64 A N - 0 0 15 2,-0.1 -1,-0.3 -24,-0.0 -3,-0.1 -0.934 56.9-164.4-146.2 115.1 61.7 -0.7 11.8 65 65 A D + 0 0 47 -2,-0.3 -6,-2.7 -3,-0.2 2,-0.4 0.322 48.1 123.6 -89.1 11.7 59.1 -1.6 14.4 66 66 A Y E +A 58 0A 0 -8,-0.2 2,-0.3 -32,-0.1 -8,-0.1 -0.570 23.3 154.5 -85.8 130.6 56.6 -2.8 11.9 67 67 A I E - 0 0 8 -10,-0.6 2,-1.7 -2,-0.4 -10,-0.3 -0.984 50.0-113.1-141.0 147.1 55.0 -6.2 11.7 68 68 A N E S+ 0 0 0 -25,-0.5 17,-1.6 -2,-0.3 2,-0.3 -0.631 76.5 113.0 -80.7 88.4 51.6 -7.1 10.1 69 69 A A E - B 0 84A 0 -2,-1.7 -12,-2.1 15,-0.2 2,-0.4 -0.962 48.5-153.2-161.8 141.1 49.9 -8.1 13.4 70 70 A S E -AB 56 83A 0 13,-2.6 13,-2.6 -2,-0.3 2,-0.7 -0.950 16.7-131.9-125.0 139.7 47.1 -6.7 15.6 71 71 A L E - B 0 82A 53 -16,-3.1 2,-0.8 -2,-0.4 11,-0.2 -0.811 19.9-161.1 -86.8 113.9 46.4 -7.0 19.3 72 72 A I E - B 0 81A 0 9,-4.1 9,-2.3 -2,-0.7 2,-0.8 -0.860 9.6-170.7 -99.9 103.2 42.8 -8.0 19.8 73 73 A K E - B 0 80A 113 -2,-0.8 2,-1.1 7,-0.2 7,-0.2 -0.828 8.6-164.0-103.0 105.6 42.0 -7.1 23.3 74 74 A M E >> - B 0 79A 10 5,-2.8 5,-1.6 -2,-0.8 4,-1.4 -0.750 6.0-171.2 -96.6 97.3 38.6 -8.4 24.5 75 75 A E T 45S+ 0 0 156 -2,-1.1 -1,-0.2 1,-0.2 3,-0.1 0.893 78.8 38.9 -59.0 -52.0 37.9 -6.4 27.6 76 76 A E T 45S+ 0 0 98 1,-0.2 -1,-0.2 2,-0.1 -2,-0.1 0.903 118.2 47.3 -69.4 -42.7 34.8 -8.2 29.0 77 77 A A T 45S- 0 0 4 2,-0.1 -1,-0.2 1,-0.0 -2,-0.2 0.704 102.5-135.6 -68.8 -19.9 35.9 -11.7 28.1 78 78 A Q T <5 + 0 0 132 -4,-1.4 2,-0.4 1,-0.2 -3,-0.2 0.899 62.8 122.8 61.6 40.3 39.3 -10.9 29.7 79 79 A R E < -B 74 0A 35 -5,-1.6 -5,-2.8 126,-0.0 2,-0.4 -0.987 43.3-163.0-130.9 145.5 41.1 -12.5 26.7 80 80 A S E -B 73 0A 29 -2,-0.4 131,-0.7 124,-0.3 2,-0.3 -0.965 6.4-174.7-124.4 146.0 43.7 -11.1 24.3 81 81 A Y E -Bc 72 211A 0 -9,-2.3 -9,-4.1 -2,-0.4 2,-0.6 -0.984 19.0-143.7-134.2 147.7 44.8 -12.4 20.9 82 82 A I E -Bc 71 212A 0 129,-2.7 131,-3.5 -2,-0.3 2,-0.5 -0.964 19.0-163.7-105.2 121.8 47.4 -11.4 18.5 83 83 A L E +Bc 70 213A 0 -13,-2.6 -13,-2.6 -2,-0.6 2,-0.3 -0.930 17.8 166.6-107.1 128.0 46.3 -11.9 14.9 84 84 A T E -Bc 69 214A 2 129,-2.4 131,-0.6 -2,-0.5 -15,-0.2 -0.899 36.1-105.1-137.0 161.2 49.0 -11.9 12.3 85 85 A Q - 0 0 6 -17,-1.6 132,-0.2 -2,-0.3 131,-0.2 -0.445 55.9 -81.4 -76.4 160.6 49.5 -12.8 8.7 86 86 A G - 0 0 0 130,-2.6 -1,-0.1 34,-0.2 130,-0.1 -0.523 63.3 -96.0 -61.7 126.7 51.4 -16.0 7.8 87 87 A P - 0 0 2 0, 0.0 35,-2.5 0, 0.0 -1,-0.1 -0.047 36.3-135.9 -46.4 138.7 55.1 -15.1 8.0 88 88 A L >> - 0 0 20 33,-0.2 3,-1.4 -45,-0.1 4,-0.6 -0.497 31.4 -99.0 -87.4 167.4 56.9 -14.0 4.8 89 89 A P T 34 S+ 0 0 112 0, 0.0 3,-0.3 0, 0.0 -1,-0.1 0.841 127.8 40.6 -59.3 -32.1 60.3 -15.4 3.8 90 90 A N T 34 S+ 0 0 67 -48,-0.2 4,-0.2 1,-0.2 3,-0.1 0.445 112.3 56.3 -92.3 -2.0 61.8 -12.1 5.1 91 91 A T T <> S+ 0 0 6 -3,-1.4 4,-2.5 2,-0.1 -1,-0.2 0.331 71.3 96.9-113.9 10.4 59.5 -11.7 8.2 92 92 A C H X S+ 0 0 13 -4,-0.6 4,-2.2 -3,-0.3 5,-0.2 0.906 87.1 51.0 -66.3 -39.3 60.1 -15.0 10.1 93 93 A G H > S+ 0 0 3 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.889 111.3 48.1 -60.9 -41.8 62.7 -13.3 12.3 94 94 A H H > S+ 0 0 12 -4,-0.2 4,-2.4 2,-0.2 -2,-0.2 0.896 108.5 55.7 -64.4 -43.5 60.2 -10.5 13.1 95 95 A F H X S+ 0 0 2 -4,-2.5 4,-2.1 1,-0.2 -2,-0.2 0.934 110.9 42.2 -54.7 -51.7 57.5 -13.1 13.8 96 96 A W H X S+ 0 0 0 -4,-2.2 4,-2.3 1,-0.2 -1,-0.2 0.810 110.5 57.7 -72.1 -26.9 59.5 -14.9 16.4 97 97 A E H X S+ 0 0 16 -4,-1.7 4,-3.2 2,-0.2 5,-0.3 0.905 107.2 48.3 -64.9 -44.0 60.7 -11.6 17.9 98 98 A M H X S+ 0 0 0 -4,-2.4 4,-2.8 2,-0.2 6,-0.3 0.931 109.7 52.0 -58.1 -47.5 57.0 -10.6 18.4 99 99 A V H <>S+ 0 0 1 -4,-2.1 5,-1.6 1,-0.2 4,-0.5 0.942 115.2 43.9 -55.2 -46.3 56.4 -14.0 20.1 100 100 A W H ><5S+ 0 0 20 -4,-2.3 3,-1.0 1,-0.2 -2,-0.2 0.956 116.5 42.4 -65.3 -53.0 59.3 -13.4 22.4 101 101 A E H 3<5S+ 0 0 40 -4,-3.2 -1,-0.2 1,-0.3 -2,-0.2 0.839 115.3 50.8 -67.3 -31.3 58.6 -9.7 23.2 102 102 A Q T 3<5S- 0 0 44 -4,-2.8 -1,-0.3 -5,-0.3 -2,-0.2 0.498 105.9-129.4 -84.5 -4.8 54.9 -10.4 23.7 103 103 A K T < 5 + 0 0 126 -3,-1.0 106,-2.5 -4,-0.5 -3,-0.2 0.777 42.6 174.8 63.0 29.6 55.6 -13.3 26.0 104 104 A S B < -i 209 0B 3 -5,-1.6 -1,-0.2 -6,-0.3 107,-0.1 -0.314 24.8-169.2 -65.1 149.4 53.3 -15.6 24.0 105 105 A R + 0 0 56 104,-0.5 67,-2.8 98,-0.4 2,-0.3 0.631 69.1 42.5-110.9 -28.3 53.2 -19.3 25.0 106 106 A G E -d 172 0A 0 97,-0.4 106,-2.5 103,-0.2 2,-0.4 -0.932 54.8-161.9-128.8 146.5 51.2 -20.5 22.0 107 107 A V E -de 173 212A 0 65,-2.7 67,-3.3 -2,-0.3 2,-0.6 -0.994 14.1-158.8-119.1 127.1 51.1 -20.1 18.2 108 108 A V E -de 174 213A 0 104,-3.6 106,-2.5 -2,-0.4 2,-0.5 -0.935 7.2-169.9-110.5 117.3 47.9 -21.2 16.5 109 109 A M E +de 175 214A 0 65,-3.0 67,-2.6 -2,-0.6 106,-0.2 -0.924 10.2 177.9-112.1 125.1 48.3 -21.9 12.8 110 110 A L + 0 0 0 104,-2.6 2,-0.3 -2,-0.5 69,-0.2 0.305 57.6 59.2-112.5 7.7 45.1 -22.5 10.9 111 111 A N S S- 0 0 0 103,-0.3 2,-0.3 104,-0.1 67,-0.1 -0.780 76.9-112.6-127.1 170.7 46.4 -23.0 7.3 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3<5S+ 0 0 125 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.764 99.2 66.1 -61.9 -23.6 43.9 -27.0 27.9 201 201 A S T <<5S- 0 0 29 -4,-1.1 -1,-0.3 -3,-0.7 -2,-0.2 0.614 108.3-120.5 -72.4 -14.9 47.5 -26.2 27.0 202 202 A G T X 5S+ 0 0 15 -3,-1.7 3,-1.9 -4,-0.4 6,-0.2 0.283 79.2 122.9 90.4 -9.8 47.5 -22.9 29.0 203 203 A S T 3 S+ 0 0 1 40,-0.2 4,-2.1 41,-0.2 5,-0.1 0.967 126.8 13.4 -78.5 -83.7 39.3 -15.5 8.0 221 221 A R H > S+ 0 0 28 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.844 129.6 58.0 -57.7 -36.7 40.0 -18.7 9.8 222 222 A S H > S+ 0 0 0 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.903 106.8 47.9 -62.8 -39.4 41.9 -16.6 12.4 223 223 A G H > S+ 0 0 0 -4,-0.4 4,-2.7 2,-0.2 5,-0.2 0.890 109.1 53.6 -66.4 -40.9 38.7 -14.6 13.0 224 224 A T H X S+ 0 0 0 -4,-2.1 4,-2.3 1,-0.2 5,-0.3 0.927 108.5 49.5 -60.0 -46.5 36.7 -17.7 13.3 225 225 A F H X S+ 0 0 0 -4,-2.3 4,-2.1 1,-0.2 -2,-0.2 0.940 116.2 40.4 -58.2 -51.2 39.0 -19.1 16.0 226 226 A C H X S+ 0 0 0 -4,-1.8 4,-2.5 2,-0.2 5,-0.2 0.884 114.0 53.1 -70.6 -38.8 39.0 -16.0 18.1 227 227 A L H X S+ 0 0 0 -4,-2.7 4,-2.5 2,-0.2 5,-0.2 0.937 111.8 44.9 -59.5 -49.9 35.3 -15.2 17.7 228 228 A A H X S+ 0 0 0 -4,-2.3 4,-2.5 -5,-0.2 5,-0.2 0.923 114.6 49.0 -60.3 -47.6 34.2 -18.7 18.8 229 229 A D H X S+ 0 0 0 -4,-2.1 4,-2.1 -5,-0.3 -2,-0.2 0.919 113.2 45.5 -60.8 -46.4 36.6 -18.7 21.8 230 230 A T H X S+ 0 0 0 -4,-2.5 4,-2.8 2,-0.2 5,-0.2 0.936 112.8 50.6 -66.1 -45.0 35.5 -15.3 23.0 231 231 A C H X S+ 0 0 0 -4,-2.5 4,-2.1 -5,-0.2 -2,-0.2 0.916 111.4 48.1 -56.2 -46.2 31.8 -16.1 22.6 232 232 A L H X S+ 0 0 0 -4,-2.5 4,-1.5 -5,-0.2 -1,-0.2 0.895 111.7 51.1 -65.1 -35.2 32.2 -19.3 24.5 233 233 A L H X S+ 0 0 30 -4,-2.1 4,-2.4 -5,-0.2 3,-0.3 0.950 109.3 48.8 -66.9 -48.5 34.1 -17.5 27.2 234 234 A L H X S+ 0 0 7 -4,-2.8 4,-2.4 1,-0.2 5,-0.3 0.866 110.3 52.5 -57.2 -39.1 31.4 -14.8 27.6 235 235 A M H X>S+ 0 0 0 -4,-2.1 4,-1.5 -5,-0.2 5,-0.8 0.856 111.6 47.0 -64.9 -32.6 28.8 -17.5 27.8 236 236 A D H <5S+ 0 0 54 -4,-1.5 -2,-0.2 -3,-0.3 -1,-0.2 0.851 112.2 48.3 -77.4 -37.4 30.8 -19.1 30.6 237 237 A K H <5S+ 0 0 124 -4,-2.4 -2,-0.2 1,-0.2 -3,-0.2 0.924 126.3 28.1 -68.3 -47.8 31.4 -15.9 32.5 238 238 A R H <5S- 0 0 92 -4,-2.4 -2,-0.2 -5,-0.2 -1,-0.2 0.706 93.2-141.4 -82.6 -22.5 27.7 -14.9 32.4 239 239 A K T <5 + 0 0 113 -4,-1.5 -3,-0.2 -5,-0.3 -4,-0.1 0.945 67.1 118.7 47.8 56.3 26.3 -18.5 32.2 240 240 A D >>< - 0 0 65 -5,-0.8 3,-1.0 -6,-0.2 4,-0.8 -0.683 42.7-178.2-154.1 78.0 23.8 -17.0 29.7 241 241 A P T 34 S+ 0 0 24 0, 0.0 -238,-0.6 0, 0.0 -6,-0.1 0.528 86.6 58.1 -61.1 -3.5 23.9 -18.4 26.2 242 242 A S T 34 S+ 0 0 62 -240,-0.1 -7,-0.0 -241,-0.1 -2,-0.0 0.771 97.3 54.3 -98.0 -31.0 21.2 -16.0 25.4 243 243 A S T <4 S+ 0 0 47 -3,-1.0 2,-0.8 -8,-0.1 -1,-0.1 0.650 85.3 97.0 -79.0 -14.3 22.9 -12.7 26.3 244 244 A V < - 0 0 6 -4,-0.8 2,-0.7 -13,-0.0 -241,-0.1 -0.675 58.3-164.6 -85.0 110.8 25.9 -13.4 24.0 245 245 A D > - 0 0 51 -2,-0.8 4,-2.5 1,-0.2 5,-0.2 -0.852 4.8-165.9 -99.7 109.9 25.4 -11.6 20.6 246 246 A I H > S+ 0 0 0 -2,-0.7 4,-2.8 1,-0.2 5,-0.2 0.890 87.2 53.7 -69.4 -38.7 27.8 -13.1 18.1 247 247 A K H > S+ 0 0 44 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.896 111.9 46.6 -61.6 -38.5 27.4 -10.3 15.5 248 248 A K H > S+ 0 0 144 2,-0.2 4,-2.4 1,-0.2 -2,-0.2 0.904 111.5 49.5 -71.6 -40.7 28.2 -7.7 18.2 249 249 A V H X S+ 0 0 15 -4,-2.5 4,-2.4 2,-0.2 -2,-0.2 0.937 111.2 51.3 -61.8 -42.3 31.2 -9.6 19.5 250 250 A L H X S+ 0 0 0 -4,-2.8 4,-1.9 1,-0.2 -2,-0.2 0.917 109.6 48.8 -59.6 -44.2 32.4 -9.9 15.9 251 251 A L H < S+ 0 0 33 -4,-2.1 -223,-0.4 1,-0.2 4,-0.3 0.870 109.2 54.1 -63.5 -37.6 31.9 -6.1 15.4 252 252 A E H >< S+ 0 0 64 -4,-2.4 3,-1.2 1,-0.2 4,-0.3 0.915 108.5 48.1 -60.2 -46.5 33.9 -5.5 18.6 253 253 A M H >X S+ 0 0 0 -4,-2.4 3,-2.2 1,-0.2 4,-1.0 0.873 102.6 63.3 -62.3 -36.8 36.8 -7.6 17.4 254 254 A R T 3< S+ 0 0 12 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.553 86.5 72.9 -69.9 -5.7 36.8 -5.8 14.1 255 255 A K T <4 S+ 0 0 86 -3,-1.2 -1,-0.3 -4,-0.3 -2,-0.2 0.724 105.6 38.7 -69.8 -20.0 37.6 -2.6 16.0 256 256 A F T <4 S+ 0 0 35 -3,-2.2 -204,-0.5 1,-0.3 2,-0.3 0.669 129.2 14.1-109.4 -24.9 41.1 -4.1 16.3 257 257 A R S >< S- 0 0 0 -4,-1.0 3,-0.7 -206,-0.1 -1,-0.3 -0.946 77.7-119.2-154.4 135.9 41.7 -5.8 13.0 258 258 A M T 3 S+ 0 0 48 -208,-0.5 -3,-0.1 -2,-0.3 -229,-0.1 -0.232 84.5 17.2 -69.4 155.5 39.9 -5.5 9.7 259 259 A G T 3 + 0 0 21 1,-0.2 -1,-0.2 -5,-0.1 -36,-0.1 0.486 68.4 173.6 71.7 6.6 38.1 -8.2 7.7 260 260 A L < + 0 0 1 -3,-0.7 -40,-0.2 -10,-0.1 -1,-0.2 -0.284 69.2 22.8 -54.9 121.5 37.7 -10.8 10.5 261 261 A I S S- 0 0 0 -42,-2.6 -41,-0.2 -41,-0.1 -40,-0.1 0.776 75.3-158.7 77.0 105.5 35.6 -13.5 9.0 262 262 A Q + 0 0 80 1,-0.1 2,-0.3 2,-0.0 -42,-0.1 0.573 63.0 32.3 -96.0 -13.1 35.9 -13.3 5.2 263 263 A T S > S- 0 0 54 1,-0.1 4,-1.9 -43,-0.1 3,-0.2 -0.985 74.3-116.5-146.0 153.0 32.8 -15.1 4.0 264 264 A A H > S+ 0 0 24 -2,-0.3 4,-2.6 1,-0.2 5,-0.2 0.821 117.6 59.9 -54.6 -33.0 29.2 -15.7 4.9 265 265 A D H > S+ 0 0 91 1,-0.2 4,-2.8 2,-0.2 -1,-0.2 0.938 103.9 47.5 -60.0 -49.9 30.2 -19.4 5.1 266 266 A Q H > S+ 0 0 19 -3,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.831 111.1 52.8 -63.7 -32.4 32.7 -18.6 7.8 267 267 A L H X S+ 0 0 0 -4,-1.9 4,-2.1 2,-0.2 -2,-0.2 0.960 111.0 45.3 -66.4 -49.3 30.1 -16.6 9.7 268 268 A R H X S+ 0 0 78 -4,-2.6 4,-2.7 1,-0.2 -2,-0.2 0.904 112.3 51.7 -60.6 -43.4 27.6 -19.4 9.6 269 269 A F H X S+ 0 0 0 -4,-2.8 4,-2.7 2,-0.2 -1,-0.2 0.831 106.1 56.0 -61.4 -34.1 30.3 -21.9 10.7 270 270 A S H X S+ 0 0 0 -4,-1.6 4,-2.2 2,-0.2 -2,-0.2 0.917 108.5 46.1 -64.0 -45.8 31.1 -19.5 13.6 271 271 A Y H X S+ 0 0 0 -4,-2.1 4,-2.8 2,-0.2 5,-0.3 0.950 111.8 53.5 -58.4 -47.0 27.5 -19.7 14.7 272 272 A L H X S+ 0 0 39 -4,-2.7 4,-2.8 1,-0.2 5,-0.2 0.931 110.1 46.5 -52.6 -50.5 27.6 -23.4 14.3 273 273 A A H X S+ 0 0 0 -4,-2.7 4,-3.0 2,-0.2 -1,-0.2 0.888 113.5 46.9 -62.5 -43.5 30.7 -23.8 16.5 274 274 A V H X S+ 0 0 0 -4,-2.2 4,-2.3 2,-0.2 -1,-0.2 0.923 113.4 49.4 -67.5 -43.5 29.4 -21.5 19.3 275 275 A I H X S+ 0 0 11 -4,-2.8 4,-0.5 -5,-0.2 -2,-0.2 0.944 116.9 40.6 -58.2 -51.1 26.1 -23.3 19.3 276 276 A E H >X S+ 0 0 49 -4,-2.8 3,-1.0 -5,-0.3 4,-0.6 0.903 115.7 51.7 -67.6 -39.8 27.6 -26.7 19.5 277 277 A G H >X S+ 0 0 0 -4,-3.0 4,-1.8 -5,-0.2 3,-0.7 0.827 96.4 68.6 -64.4 -32.8 30.3 -25.6 21.9 278 278 A A H 3X S+ 0 0 2 -4,-2.3 4,-1.8 1,-0.2 -1,-0.2 0.718 86.9 67.8 -64.2 -20.4 27.8 -24.1 24.3 279 279 A K H <<>S+ 0 0 77 -3,-1.0 5,-1.7 -4,-0.5 -1,-0.2 0.933 106.0 41.3 -60.8 -45.8 26.5 -27.6 25.1 280 280 A F H X<5S+ 0 0 42 -3,-0.7 3,-1.7 -4,-0.6 -2,-0.2 0.966 113.4 52.9 -62.5 -56.1 29.9 -28.2 26.9 281 281 A I H 3<5S+ 0 0 8 -4,-1.8 -2,-0.2 1,-0.3 -1,-0.2 0.828 103.5 59.2 -45.7 -38.6 30.1 -24.7 28.5 282 282 A M T 3<5S- 0 0 80 -4,-1.8 -1,-0.3 -5,-0.2 -2,-0.1 0.243 131.4 -76.0 -91.3 16.8 26.6 -25.1 30.0 283 283 A G T < 5S+ 0 0 59 -3,-1.7 2,-1.5 1,-0.1 -3,-0.2 0.248 98.5 114.5 116.8 -12.1 27.3 -28.2 32.1 284 284 A D > < + 0 0 75 -5,-1.7 3,-1.4 -6,-0.2 4,-0.3 -0.609 32.5 167.5 -88.9 75.9 27.3 -31.1 29.6 285 285 A S T 3 + 0 0 82 -2,-1.5 3,-0.5 1,-0.3 4,-0.3 0.556 64.7 72.2 -71.6 -5.8 31.0 -32.0 30.0 286 286 A S T >> S+ 0 0 61 1,-0.2 4,-1.1 2,-0.2 3,-0.9 0.713 77.4 75.8 -81.4 -21.1 30.5 -35.3 28.1 287 287 A V H <> S+ 0 0 1 -3,-1.4 4,-1.4 1,-0.3 -1,-0.2 0.778 87.9 61.9 -61.4 -26.2 30.1 -33.5 24.7 288 288 A Q H 34 S+ 0 0 41 -3,-0.5 -1,-0.3 -4,-0.3 -2,-0.2 0.855 99.7 54.0 -66.0 -35.4 33.9 -33.0 24.7 289 289 A D H <4 S+ 0 0 137 -3,-0.9 -1,-0.2 -4,-0.3 -2,-0.2 0.819 108.0 49.7 -68.6 -30.9 34.4 -36.7 24.8 290 290 A Q H < 0 0 138 -4,-1.1 -1,-0.2 1,-0.2 -2,-0.2 0.747 360.0 360.0 -82.4 -23.0 32.2 -37.1 21.7 291 291 A W < 0 0 41 -4,-1.4 -2,-0.2 -99,-0.0 -1,-0.2 0.891 360.0 360.0 -66.0 360.0 34.1 -34.3 19.8