==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=6-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 03-NOV-01 1KAV . COMPND 2 MOLECULE: PROTEIN-TYROSINE PHOSPHATASE, NON-RECEPTOR TYPE . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR Z.JIA,Q.YE,A.N.DINAUT,Q.WANG,D.WADDLETON,P.PAYETTE, . 297 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14020.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 215 72.4 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 . 39 13.1 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 . 29 9.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 30 10.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 87 29.3 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 1 1 2 1 0 0 1 0 0 1 1 0 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 . 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 . 0 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 0 131 0, 0.0 4,-1.3 0, 0.0 3,-0.0 0.000 360.0 360.0 360.0 166.0 11.6 -9.7 70.0 2 3 A M H > + 0 0 21 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.869 360.0 57.7 -64.5 -39.1 13.2 -7.0 72.1 3 4 A E H > S+ 0 0 122 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.904 102.5 53.8 -60.8 -42.7 10.2 -6.3 74.3 4 5 A K H > S+ 0 0 146 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.925 110.2 46.7 -58.8 -46.2 10.1 -9.9 75.5 5 6 A E H X S+ 0 0 90 -4,-1.3 4,-2.1 2,-0.2 -1,-0.2 0.908 111.1 51.3 -62.4 -43.7 13.7 -9.9 76.7 6 7 A F H X S+ 0 0 13 -4,-2.2 4,-2.0 1,-0.2 -1,-0.2 0.917 111.7 48.5 -58.1 -44.2 13.3 -6.5 78.4 7 8 A E H X S+ 0 0 112 -4,-2.4 4,-2.6 2,-0.2 -1,-0.2 0.826 107.3 54.7 -66.9 -34.4 10.3 -7.9 80.2 8 9 A Q H X S+ 0 0 124 -4,-1.9 4,-2.1 2,-0.2 -1,-0.2 0.918 110.3 46.3 -66.0 -43.1 12.1 -11.1 81.3 9 10 A I H <>S+ 0 0 18 -4,-2.1 5,-2.1 2,-0.2 4,-0.5 0.895 113.3 49.3 -65.4 -41.7 14.9 -9.1 82.9 10 11 A D H ><5S+ 0 0 51 -4,-2.0 3,-1.1 -5,-0.2 -2,-0.2 0.945 110.6 51.1 -63.1 -47.4 12.4 -6.8 84.6 11 12 A K H 3<5S+ 0 0 189 -4,-2.6 -2,-0.2 1,-0.3 -1,-0.2 0.882 115.3 40.1 -58.5 -44.1 10.5 -9.8 85.9 12 13 A S T 3<5S- 0 0 78 -4,-2.1 -1,-0.3 -5,-0.1 -2,-0.2 0.434 106.6-127.6 -86.7 1.9 13.5 -11.5 87.4 13 14 A G T < 5 + 0 0 59 -3,-1.1 3,-0.2 -4,-0.5 -3,-0.2 0.906 59.9 143.8 52.8 48.9 14.9 -8.2 88.6 14 15 A S >< + 0 0 34 -5,-2.1 4,-2.7 1,-0.2 5,-0.2 0.305 28.7 103.8-101.6 7.2 18.3 -8.9 86.9 15 16 A W H > S+ 0 0 20 -6,-0.4 4,-2.6 1,-0.2 5,-0.2 0.903 84.5 48.2 -56.1 -44.8 19.3 -5.4 85.8 16 17 A A H > S+ 0 0 57 -3,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.871 112.6 49.8 -64.9 -35.1 21.9 -5.0 88.6 17 18 A A H > S+ 0 0 53 2,-0.2 4,-2.0 -4,-0.2 -2,-0.2 0.902 111.9 47.3 -69.6 -41.2 23.3 -8.4 87.8 18 19 A I H X S+ 0 0 38 -4,-2.7 4,-1.5 2,-0.2 -2,-0.2 0.917 113.1 49.2 -64.8 -44.1 23.5 -7.6 84.0 19 20 A Y H X S+ 0 0 15 -4,-2.6 4,-1.7 -5,-0.2 -2,-0.2 0.909 110.2 50.4 -62.8 -42.1 25.2 -4.3 84.8 20 21 A Q H X S+ 0 0 73 -4,-2.2 4,-2.0 1,-0.2 -1,-0.2 0.884 105.5 55.8 -64.7 -38.3 27.7 -5.9 87.2 21 22 A D H X S+ 0 0 70 -4,-2.0 4,-1.8 1,-0.2 -1,-0.2 0.865 106.3 54.1 -60.2 -35.8 28.6 -8.5 84.5 22 23 A I H X S+ 0 0 0 -4,-1.5 4,-1.7 2,-0.2 -1,-0.2 0.906 106.4 48.9 -65.4 -44.6 29.4 -5.5 82.2 23 24 A R H < S+ 0 0 122 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.884 113.7 48.1 -63.7 -38.0 31.8 -3.9 84.7 24 25 A H H < S+ 0 0 136 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.808 116.1 41.1 -73.5 -31.6 33.6 -7.2 85.2 25 26 A E H < S+ 0 0 107 -4,-1.8 -1,-0.2 -5,-0.2 -2,-0.2 0.651 90.8 119.3 -88.9 -17.6 33.9 -8.0 81.5 26 27 A A S < S- 0 0 25 -4,-1.7 224,-0.1 -5,-0.2 225,-0.1 -0.074 71.4 -98.2 -52.2 146.8 34.8 -4.4 80.5 27 28 A S - 0 0 38 223,-0.3 2,-0.4 229,-0.1 -1,-0.1 -0.205 29.6-156.6 -64.2 154.8 38.2 -3.7 78.9 28 29 A D + 0 0 145 229,-0.1 226,-0.1 226,-0.0 -1,-0.0 -0.955 20.5 164.1-137.7 112.8 41.1 -2.3 80.9 29 30 A F - 0 0 87 -2,-0.4 228,-0.1 1,-0.0 -2,-0.0 -0.896 41.8 -85.4-126.8 158.3 43.9 -0.4 79.1 30 31 A P - 0 0 66 0, 0.0 22,-2.7 0, 0.0 23,-0.4 -0.269 25.3-170.2 -65.0 151.1 46.6 1.9 80.4 31 32 A C > + 0 0 20 20,-0.2 4,-1.3 21,-0.1 20,-0.1 -0.433 30.8 146.8-132.8 51.8 46.1 5.6 81.1 32 33 A R H >> + 0 0 152 1,-0.2 3,-0.6 2,-0.2 4,-0.5 0.937 69.5 49.4 -58.2 -52.2 49.7 6.6 81.7 33 34 A V H >4 S+ 0 0 28 1,-0.3 3,-1.5 2,-0.2 6,-0.2 0.916 108.5 53.1 -56.5 -45.6 49.5 10.1 80.2 34 35 A A H 34 S+ 0 0 2 16,-0.3 -1,-0.3 1,-0.3 -2,-0.2 0.827 109.0 52.2 -59.1 -31.1 46.4 11.0 82.2 35 36 A K H << S+ 0 0 115 -4,-1.3 -1,-0.3 -3,-0.6 -2,-0.2 0.470 77.3 121.2 -86.1 -3.9 48.3 9.9 85.4 36 37 A L S X< S- 0 0 70 -3,-1.5 3,-2.1 -4,-0.5 4,-0.3 -0.383 72.7-122.9 -59.9 134.9 51.4 12.1 84.8 37 38 A P G > S+ 0 0 121 0, 0.0 3,-1.0 0, 0.0 4,-0.3 0.786 110.3 59.4 -51.0 -31.1 51.8 14.4 87.8 38 39 A K G 3 S+ 0 0 127 1,-0.2 3,-0.3 2,-0.1 -2,-0.1 0.697 103.4 51.1 -74.0 -18.3 51.7 17.5 85.5 39 40 A N G X S+ 0 0 0 -3,-2.1 3,-1.7 -6,-0.2 4,-0.3 0.305 77.9 104.7 -99.6 9.0 48.2 16.5 84.3 40 41 A K G X S+ 0 0 173 -3,-1.0 3,-1.0 -4,-0.3 -1,-0.2 0.890 81.2 47.2 -56.8 -41.9 46.8 16.2 87.8 41 42 A N G 3 S+ 0 0 101 -3,-0.3 -1,-0.3 -4,-0.3 48,-0.2 0.395 101.7 66.7 -83.3 5.5 44.9 19.5 87.6 42 43 A R G < S+ 0 0 25 -3,-1.7 25,-0.5 -8,-0.1 2,-0.5 0.417 89.0 76.8-101.6 -1.5 43.5 18.6 84.1 43 44 A N < - 0 0 24 -3,-1.0 3,-0.1 -4,-0.3 6,-0.1 -0.937 62.4-159.2-112.7 131.1 41.4 15.8 85.5 44 45 A R S S+ 0 0 47 -2,-0.5 2,-0.4 1,-0.2 -1,-0.1 0.850 81.6 33.1 -75.3 -35.6 38.1 16.4 87.3 45 46 A Y S > S- 0 0 72 3,-0.4 3,-0.9 1,-0.1 -1,-0.2 -0.959 71.9-135.8-127.7 144.6 38.1 13.0 89.0 46 47 A R T 3 S+ 0 0 200 -2,-0.4 -1,-0.1 1,-0.2 -2,-0.0 0.927 102.5 36.2 -59.8 -53.8 40.9 10.7 90.2 47 48 A D T 3 S+ 0 0 109 1,-0.1 2,-0.5 2,-0.0 -1,-0.2 0.035 98.1 85.8 -96.7 30.2 39.7 7.4 88.9 48 49 A V < + 0 0 12 -3,-0.9 -3,-0.4 2,-0.0 -4,-0.1 -0.921 55.7 149.2-128.1 103.0 38.1 8.6 85.6 49 50 A S - 0 0 3 -2,-0.5 208,-0.6 -6,-0.1 2,-0.2 -0.965 45.8-113.4-136.5 152.2 40.7 8.7 82.8 50 51 A P B -A 256 0A 0 0, 0.0 -16,-0.3 0, 0.0 206,-0.1 -0.590 42.2-104.3 -83.2 145.5 40.8 8.3 79.1 51 52 A F >> - 0 0 1 204,-0.5 4,-1.0 -2,-0.2 3,-0.8 -0.434 24.3-126.1 -66.2 142.6 42.7 5.3 77.7 52 53 A D G >4 S+ 0 0 18 -22,-2.7 3,-0.6 1,-0.2 -1,-0.1 0.893 107.7 56.9 -56.5 -41.4 46.1 6.3 76.2 53 54 A H G 34 S+ 0 0 109 -23,-0.4 -1,-0.2 1,-0.2 -22,-0.1 0.732 119.8 26.7 -66.2 -23.4 45.2 4.5 73.0 54 55 A S G <4 S+ 0 0 11 -3,-0.8 16,-2.8 201,-0.1 -1,-0.2 0.312 87.3 126.5-122.4 8.1 42.1 6.5 72.3 55 56 A R E << -B 69 0B 30 -4,-1.0 2,-0.4 -3,-0.6 14,-0.3 -0.353 64.2-112.2 -69.2 149.0 42.6 9.8 74.1 56 57 A I E - 0 0 8 12,-2.0 10,-0.5 10,-0.3 2,-0.4 -0.695 30.4-143.8 -82.7 129.2 42.2 13.0 72.1 57 58 A K E -B 65 0B 124 -2,-0.4 2,-0.3 8,-0.1 8,-0.2 -0.795 5.6-135.4 -98.3 135.6 45.4 14.9 71.5 58 59 A L - 0 0 5 6,-2.5 2,-1.8 -2,-0.4 39,-0.1 -0.656 20.4-124.2 -84.2 141.3 45.6 18.7 71.5 59 60 A H S S+ 0 0 132 -2,-0.3 2,-0.4 37,-0.1 -1,-0.1 -0.401 72.8 114.5 -84.4 61.1 47.7 20.2 68.7 60 61 A Q - 0 0 49 -2,-1.8 -2,-0.1 1,-0.1 0, 0.0 -0.995 63.6-142.4-136.6 131.5 50.0 22.1 71.1 61 62 A E S S+ 0 0 208 -2,-0.4 3,-0.2 2,-0.1 -1,-0.1 0.781 95.1 58.6 -57.6 -33.0 53.7 21.6 71.7 62 63 A D S S- 0 0 135 1,-0.2 2,-0.5 2,-0.0 -1,-0.1 0.963 125.9 -16.1 -62.1 -90.1 53.4 22.4 75.4 63 64 A N - 0 0 10 1,-0.1 -1,-0.2 2,-0.1 -2,-0.1 -0.961 54.7-171.5-124.8 111.5 50.9 19.9 76.9 64 65 A D + 0 0 49 -2,-0.5 -6,-2.5 -3,-0.2 2,-0.4 0.341 48.4 120.7 -84.3 9.0 48.7 17.9 74.5 65 66 A Y E +B 57 0B 0 -8,-0.2 2,-0.3 -32,-0.1 -8,-0.1 -0.603 24.8 153.5 -88.7 133.6 46.6 16.4 77.2 66 67 A I E - 0 0 8 -10,-0.5 2,-2.2 -2,-0.4 -10,-0.3 -0.982 51.1-111.5-147.1 138.6 42.8 16.7 77.8 67 68 A N E S+ 0 0 1 -25,-0.5 17,-1.3 -2,-0.3 2,-0.3 -0.501 76.4 116.4 -74.8 80.3 40.6 14.3 79.5 68 69 A A E - C 0 83B 0 -2,-2.2 -12,-2.0 -12,-0.2 2,-0.4 -0.992 46.8-154.8-147.5 149.0 38.7 13.2 76.4 69 70 A S E -BC 55 82B 0 13,-2.5 13,-2.2 -2,-0.3 2,-0.7 -0.957 16.2-131.1-129.1 145.6 38.3 9.9 74.5 70 71 A L E - C 0 81B 56 -16,-2.8 2,-0.8 -2,-0.4 11,-0.2 -0.857 18.9-160.8 -96.8 114.6 37.5 9.1 70.8 71 72 A I E - C 0 80B 0 9,-3.4 9,-2.0 -2,-0.7 2,-0.7 -0.851 10.0-172.8 -97.0 106.2 34.7 6.5 70.6 72 73 A K E - C 0 79B 135 -2,-0.8 2,-1.0 7,-0.2 7,-0.2 -0.867 7.9-166.3-107.1 106.7 34.9 5.0 67.1 73 74 A M E >> - C 0 78B 10 5,-2.2 5,-1.4 -2,-0.7 4,-1.4 -0.758 3.5-169.3 -94.8 95.7 32.0 2.6 66.3 74 75 A E T 45S+ 0 0 163 -2,-1.0 3,-0.5 1,-0.2 -1,-0.2 0.908 80.9 36.3 -48.1 -63.0 33.1 0.8 63.2 75 76 A E T 45S+ 0 0 90 1,-0.2 -1,-0.2 2,-0.1 -2,-0.1 0.901 117.3 50.7 -63.6 -43.9 29.8 -1.0 62.2 76 77 A A T 45S- 0 0 8 2,-0.1 -1,-0.2 1,-0.0 -2,-0.2 0.688 103.6-135.4 -67.9 -18.2 27.5 1.8 63.2 77 78 A Q T <5 + 0 0 133 -4,-1.4 2,-0.3 -3,-0.5 -3,-0.2 0.899 62.1 110.8 65.6 44.6 29.7 4.2 61.2 78 79 A R E < -C 73 0B 49 -5,-1.4 -5,-2.2 2,-0.0 2,-0.4 -0.993 48.2-156.3-152.2 143.0 29.8 7.0 63.8 79 80 A S E -C 72 0B 35 -2,-0.3 131,-0.7 -7,-0.2 2,-0.3 -0.911 9.7-176.4-119.1 145.6 32.3 8.6 66.1 80 81 A Y E -Cd 71 210B 0 -9,-2.0 -9,-3.4 -2,-0.4 2,-0.6 -0.968 19.3-140.8-136.3 151.0 31.8 10.6 69.3 81 82 A I E -Cd 70 211B 0 129,-2.3 131,-3.2 -2,-0.3 2,-0.5 -0.967 18.8-162.6-113.0 118.7 34.2 12.4 71.6 82 83 A L E +Cd 69 212B 0 -13,-2.2 -13,-2.5 -2,-0.6 2,-0.3 -0.885 18.4 163.7-104.0 132.4 33.4 11.9 75.3 83 84 A T E -Cd 68 213B 3 129,-2.1 131,-0.7 -2,-0.5 -15,-0.2 -0.933 36.7-101.0-142.8 164.3 34.9 14.3 77.8 84 85 A Q - 0 0 6 -17,-1.3 132,-0.2 -2,-0.3 131,-0.2 -0.291 55.8 -80.8 -77.1 168.6 34.5 15.5 81.4 85 86 A G - 0 0 0 130,-2.6 -1,-0.1 34,-0.2 130,-0.1 -0.596 63.8 -97.3 -70.8 128.3 32.8 18.8 82.2 86 87 A P - 0 0 3 0, 0.0 35,-2.0 0, 0.0 -1,-0.1 -0.113 36.1-138.7 -49.6 139.8 35.4 21.6 81.6 87 88 A L >> - 0 0 26 33,-0.1 3,-1.8 -45,-0.1 4,-0.7 -0.514 33.2 -95.1 -93.3 165.7 37.4 22.8 84.7 88 89 A P T 34 S+ 0 0 113 0, 0.0 3,-0.3 0, 0.0 -1,-0.1 0.830 127.2 40.7 -51.0 -33.0 38.2 26.5 85.3 89 90 A N T 34 S+ 0 0 66 -48,-0.2 4,-0.2 1,-0.2 -48,-0.0 0.387 111.7 54.0 -98.4 2.6 41.6 25.9 83.7 90 91 A T T <> S+ 0 0 7 -3,-1.8 4,-3.0 2,-0.1 -1,-0.2 0.304 71.6 99.2-119.3 9.9 40.7 23.6 80.8 91 92 A C H X S+ 0 0 14 -4,-0.7 4,-2.3 -3,-0.3 5,-0.2 0.894 87.3 49.9 -62.7 -38.0 38.0 25.7 79.0 92 93 A G H > S+ 0 0 3 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.891 111.3 49.0 -66.4 -38.3 40.5 26.8 76.5 93 94 A H H > S+ 0 0 12 2,-0.2 4,-2.4 1,-0.2 -2,-0.2 0.935 108.4 54.9 -64.4 -46.1 41.6 23.2 76.0 94 95 A F H X S+ 0 0 2 -4,-3.0 4,-1.9 1,-0.2 -2,-0.2 0.948 113.0 40.0 -52.6 -57.0 38.0 22.2 75.5 95 96 A W H X S+ 0 0 0 -4,-2.3 4,-2.1 1,-0.2 -1,-0.2 0.796 110.3 59.4 -66.4 -28.3 37.3 24.7 72.8 96 97 A E H X S+ 0 0 15 -4,-1.9 4,-2.8 -5,-0.2 -1,-0.2 0.919 107.4 47.9 -63.9 -40.8 40.7 24.1 71.2 97 98 A M H X S+ 0 0 0 -4,-2.4 4,-2.7 2,-0.2 6,-0.3 0.919 107.8 53.7 -64.4 -45.6 39.6 20.4 70.8 98 99 A V H <>S+ 0 0 0 -4,-1.9 5,-1.9 -5,-0.2 4,-0.4 0.914 114.1 43.9 -55.2 -43.5 36.3 21.4 69.3 99 100 A W H ><5S+ 0 0 23 -4,-2.1 3,-1.1 3,-0.2 -2,-0.2 0.964 115.1 44.7 -67.5 -54.4 38.2 23.5 66.7 100 101 A E H 3<5S+ 0 0 34 -4,-2.8 -2,-0.2 1,-0.3 -1,-0.2 0.865 115.8 47.0 -60.3 -38.6 40.9 21.0 65.9 101 102 A Q T 3<5S- 0 0 48 -4,-2.7 -1,-0.3 -5,-0.2 -2,-0.2 0.525 107.4-128.9 -81.5 -5.4 38.6 18.0 65.6 102 103 A K T < 5 + 0 0 126 -3,-1.1 106,-2.5 -4,-0.4 -3,-0.2 0.823 39.9 179.8 62.5 33.8 36.2 20.1 63.5 103 104 A S < - 0 0 4 -5,-1.9 -1,-0.1 -6,-0.3 107,-0.1 -0.293 22.0-165.9 -64.7 151.3 33.2 19.3 65.7 104 105 A R + 0 0 52 104,-0.5 67,-2.3 98,-0.4 2,-0.3 0.662 69.7 32.1-108.5 -29.9 29.9 20.9 64.6 105 106 A G E -e 171 0B 0 97,-0.4 106,-2.3 65,-0.2 2,-0.4 -0.936 57.6-156.1-134.1 155.0 27.9 20.2 67.8 106 107 A V E -ef 172 211B 0 65,-2.8 67,-3.0 -2,-0.3 2,-0.6 -0.999 11.1-157.5-127.5 128.8 28.5 19.9 71.6 107 108 A V E -ef 173 212B 0 104,-3.4 106,-2.7 -2,-0.4 2,-0.5 -0.944 7.7-171.3-112.4 118.5 26.1 17.9 73.8 108 109 A M E +ef 174 213B 0 65,-2.5 67,-2.8 -2,-0.6 106,-0.2 -0.944 10.4 174.6-110.4 124.3 26.0 18.8 77.5 109 110 A L + 0 0 0 104,-2.4 69,-0.3 -2,-0.5 105,-0.2 0.410 59.3 57.4-110.0 -1.7 24.0 16.5 79.8 110 111 A N S S- 0 0 0 103,-0.4 2,-0.4 104,-0.2 -2,-0.0 -0.457 79.2-109.5-114.1-168.9 24.8 17.9 83.2 111 112 A R - 0 0 121 -2,-0.2 8,-0.3 67,-0.1 3,-0.2 -0.968 20.9-121.9-127.2 144.1 24.4 21.3 84.9 112 113 A V S S+ 0 0 30 -2,-0.4 8,-1.6 1,-0.2 2,-0.4 0.795 107.6 25.7 -50.8 -31.7 27.1 23.8 86.0 113 114 A M S S+ 0 0 102 5,-0.2 2,-0.5 6,-0.2 -1,-0.2 -0.922 70.0 178.0-141.4 112.8 25.7 23.5 89.5 114 115 A E S S- 0 0 9 3,-1.4 3,-0.4 -2,-0.4 -4,-0.0 -0.938 74.6 -22.8-120.8 111.3 23.9 20.4 90.8 115 116 A K S S- 0 0 188 -2,-0.5 2,-0.6 1,-0.2 -1,-0.1 0.755 122.9 -55.4 64.7 27.8 22.7 20.3 94.5 116 117 A G S S+ 0 0 47 1,-0.2 -1,-0.2 0, 0.0 2,-0.1 -0.551 112.4 98.4 111.4 -69.6 25.3 22.9 95.5 117 118 A S S S- 0 0 79 -2,-0.6 -3,-1.4 -3,-0.4 2,-1.1 -0.328 84.2-108.0 -60.4 133.0 28.7 21.6 94.5 118 119 A L - 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0 0 2 -131,-0.7 -104,-0.2 -2,-0.3 -34,-0.0 -0.065 68.9 -60.6-129.4-126.2 28.4 15.4 81.4 215 216 A S S S+ 0 0 3 -131,-0.2 -130,-2.6 -2,-0.1 -171,-0.1 0.901 134.4 11.3 -94.0 -55.0 30.3 15.9 84.7 216 217 A A S S- 0 0 19 -132,-0.2 -132,-0.1 -172,-0.1 -171,-0.1 0.626 100.9-125.7 -94.1 -19.6 32.7 12.9 84.5 217 218 A G S S+ 0 0 0 -133,-0.1 -133,-0.1 -149,-0.0 -5,-0.1 0.812 88.4 76.0 79.7 31.0 31.9 12.1 80.9 218 219 A I S S+ 0 0 9 40,-0.1 42,-2.4 41,-0.1 4,-0.3 0.577 84.6 47.2-138.0 -38.1 30.9 8.5 81.3 219 220 A G S > S+ 0 0 7 40,-0.2 4,-2.0 41,-0.2 41,-0.1 0.987 123.7 19.2 -74.7 -77.4 27.5 8.0 82.9 220 221 A R H > S+ 0 0 13 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.915 129.7 49.5 -62.3 -43.4 25.0 10.3 81.2 221 222 A S H > S+ 0 0 0 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.864 109.4 53.0 -66.5 -33.2 27.2 10.7 78.1 222 223 A G H > S+ 0 0 0 -4,-0.3 4,-2.2 1,-0.2 -1,-0.2 0.905 108.9 49.9 -66.3 -39.7 27.6 6.9 77.9 223 224 A T H X S+ 0 0 0 -4,-2.0 4,-2.1 2,-0.2 -2,-0.2 0.899 110.5 49.3 -63.6 -43.9 23.8 6.5 78.0 224 225 A F H X S+ 0 0 0 -4,-2.2 4,-2.1 1,-0.2 -2,-0.2 0.936 114.8 43.6 -62.1 -49.8 23.3 9.0 75.2 225 226 A C H X S+ 0 0 0 -4,-2.2 4,-2.5 2,-0.2 5,-0.2 0.840 111.5 53.6 -68.4 -34.0 25.9 7.5 72.9 226 227 A L H X S+ 0 0 0 -4,-2.2 4,-2.4 -5,-0.2 -1,-0.2 0.948 110.9 46.2 -65.0 -47.9 24.8 3.9 73.6 227 228 A A H X S+ 0 0 0 -4,-2.1 4,-2.0 2,-0.2 5,-0.2 0.927 114.2 47.9 -59.9 -47.2 21.2 4.7 72.7 228 229 A D H X S+ 0 0 0 -4,-2.1 4,-1.7 1,-0.2 -2,-0.2 0.960 113.1 46.9 -60.2 -53.0 22.2 6.6 69.5 229 230 A T H X S+ 0 0 0 -4,-2.5 4,-2.4 1,-0.2 -1,-0.2 0.889 112.1 50.9 -57.7 -41.4 24.6 3.9 68.3 230 231 A C H X S+ 0 0 0 -4,-2.4 4,-2.4 1,-0.2 -1,-0.2 0.866 109.8 48.7 -65.9 -37.5 22.1 1.1 69.0 231 232 A L H < S+ 0 0 1 -4,-2.0 -1,-0.2 2,-0.2 -2,-0.2 0.791 111.2 52.9 -70.3 -27.7 19.3 2.9 67.0 232 233 A L H >X S+ 0 0 27 -4,-1.7 3,-0.9 -5,-0.2 4,-0.8 0.919 110.3 47.1 -71.6 -44.6 21.9 3.3 64.3 233 234 A L H >X S+ 0 0 9 -4,-2.4 4,-2.5 1,-0.2 3,-0.9 0.919 108.2 52.0 -65.8 -46.8 22.7 -0.4 64.2 234 235 A M H 3< S+ 0 0 7 -4,-2.4 5,-0.3 1,-0.3 -1,-0.2 0.465 110.7 50.0 -74.3 4.5 19.1 -1.7 64.2 235 236 A D H <4 S+ 0 0 94 -3,-0.9 -1,-0.3 -4,-0.2 -2,-0.2 0.546 114.2 46.5-108.3 -17.5 18.3 0.5 61.2 236 237 A K H << S+ 0 0 122 -3,-0.9 -2,-0.2 -4,-0.8 -3,-0.1 0.888 113.8 40.2 -91.8 -48.1 21.4 -0.7 59.4 237 238 A R S < S- 0 0 87 -4,-2.5 -3,-0.1 3,-0.0 -1,-0.1 0.419 94.5-141.0 -83.9 4.2 21.3 -4.5 59.7 238 239 A K S S+ 0 0 154 -5,-0.3 -3,-0.1 1,-0.1 -4,-0.1 0.874 83.0 86.5 30.4 67.5 17.6 -4.5 59.2 239 240 A D > - 0 0 94 -5,-0.3 3,-2.7 0, 0.0 4,-0.3 -0.104 58.6-179.0 176.2 53.0 17.0 -7.2 61.8 240 241 A P G > S+ 0 0 22 0, 0.0 3,-2.1 0, 0.0 -5,-0.1 0.731 72.1 66.1 -34.3 -48.4 16.8 -5.0 65.0 241 242 A S G 3 S+ 0 0 65 1,-0.3 -7,-0.0 -7,-0.1 0, 0.0 0.597 91.4 65.7 -60.1 -10.3 16.3 -7.8 67.5 242 243 A S G < S+ 0 0 57 -3,-2.7 2,-0.5 2,-0.1 -1,-0.3 0.719 74.3 104.6 -83.7 -20.8 19.8 -9.0 66.7 243 244 A V < - 0 0 13 -3,-2.1 2,-1.0 -4,-0.3 3,-0.1 -0.475 62.4-155.0 -63.8 112.8 21.4 -5.8 68.2 244 245 A D > - 0 0 66 -2,-0.5 4,-2.2 1,-0.2 3,-0.4 -0.783 5.4-165.0 -95.5 97.0 22.8 -6.9 71.6 245 246 A I H > S+ 0 0 11 -2,-1.0 4,-2.7 1,-0.2 5,-0.2 0.866 86.8 54.7 -49.0 -45.6 22.8 -3.7 73.7 246 247 A K H > S+ 0 0 47 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.924 110.5 46.1 -56.3 -46.7 25.1 -5.3 76.3 247 248 A K H > S+ 0 0 146 -3,-0.4 4,-2.3 2,-0.2 -1,-0.2 0.872 109.8 53.5 -65.3 -38.1 27.7 -6.2 73.7 248 249 A V H X S+ 0 0 14 -4,-2.2 4,-2.4 2,-0.2 -1,-0.2 0.937 109.4 49.7 -62.1 -44.1 27.4 -2.7 72.0 249 250 A L H X S+ 0 0 0 -4,-2.7 4,-2.7 1,-0.2 -2,-0.2 0.918 109.7 50.0 -61.3 -42.9 28.2 -1.2 75.4 250 251 A L H < S+ 0 0 28 -4,-2.2 4,-0.4 1,-0.2 -223,-0.3 0.894 108.5 53.2 -63.5 -36.5 31.2 -3.5 76.0 251 252 A E H >< S+ 0 0 67 -4,-2.3 3,-1.2 1,-0.2 4,-0.2 0.938 110.8 47.9 -62.3 -44.5 32.4 -2.4 72.5 252 253 A M H >X S+ 0 0 0 -4,-2.4 3,-2.8 1,-0.3 4,-0.9 0.916 102.4 60.4 -62.4 -44.5 32.1 1.2 73.6 253 254 A R T 3< S+ 0 0 11 -4,-2.7 -1,-0.3 1,-0.3 -2,-0.2 0.613 88.5 75.9 -62.0 -8.0 33.9 0.7 76.9 254 255 A K T <4 S+ 0 0 90 -3,-1.2 -1,-0.3 -4,-0.4 -2,-0.2 0.734 103.3 37.9 -72.4 -20.4 36.9 -0.4 74.8 255 256 A F T <4 S+ 0 0 40 -3,-2.8 -204,-0.5 1,-0.3 2,-0.3 0.663 130.9 11.8-103.4 -22.6 37.4 3.3 74.1 256 257 A R B >< S-A 50 0A 0 -4,-0.9 3,-0.6 -206,-0.1 -1,-0.3 -0.967 80.5-109.2-155.8 141.5 36.5 4.9 77.4 257 258 A M T 3 S+ 0 0 48 -208,-0.6 -3,-0.1 -2,-0.3 -229,-0.1 -0.292 85.1 9.2 -74.6 154.8 36.0 3.5 80.9 258 259 A G T 3 - 0 0 16 1,-0.2 2,-0.2 -5,-0.1 -1,-0.2 0.655 67.7-179.6 54.5 29.8 32.8 3.2 82.9 259 260 A L < + 0 0 0 -3,-0.6 -40,-0.2 -10,-0.1 -1,-0.2 -0.432 67.2 21.5 -63.5 123.9 30.2 4.1 80.3 260 261 A I S S- 0 0 0 -42,-2.4 -41,-0.2 -2,-0.2 -40,-0.1 0.665 74.0-155.5 80.5 116.6 26.8 4.0 82.0 261 262 A Q + 0 0 61 -79,-0.1 2,-0.3 1,-0.1 -42,-0.1 0.488 61.9 41.4-105.5 -5.9 27.1 4.3 85.7 262 263 A T S > S- 0 0 29 1,-0.1 4,-1.5 -43,-0.1 3,-0.2 -0.977 72.8-120.6-143.0 157.1 24.1 2.6 87.2 263 264 A A H > S+ 0 0 26 -2,-0.3 4,-1.9 1,-0.2 5,-0.1 0.870 116.1 55.5 -60.9 -34.3 21.9 -0.4 86.8 264 265 A D H > S+ 0 0 90 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.841 103.4 51.5 -68.3 -36.7 19.0 2.0 86.2 265 266 A Q H > S+ 0 0 2 -3,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.813 109.2 52.8 -69.7 -29.8 20.7 3.9 83.4 266 267 A L H X S+ 0 0 0 -4,-1.5 4,-1.6 2,-0.2 -2,-0.2 0.931 109.7 47.3 -69.1 -45.9 21.3 0.5 81.7 267 268 A R H X S+ 0 0 67 -4,-1.9 4,-2.4 1,-0.2 -2,-0.2 0.910 111.5 51.5 -60.5 -43.3 17.6 -0.4 82.0 268 269 A F H X S+ 0 0 12 -4,-2.3 4,-3.5 1,-0.2 5,-0.3 0.910 103.7 58.2 -60.4 -43.2 16.7 3.1 80.6 269 270 A S H X S+ 0 0 0 -4,-2.1 4,-2.1 1,-0.2 -1,-0.2 0.891 108.4 46.0 -53.8 -42.2 19.1 2.5 77.7 270 271 A Y H X S+ 0 0 9 -4,-1.6 4,-2.5 2,-0.2 -1,-0.2 0.930 113.3 49.2 -66.2 -46.2 17.0 -0.6 76.8 271 272 A L H X S+ 0 0 52 -4,-2.4 4,-2.4 1,-0.2 -2,-0.2 0.903 113.1 46.9 -59.2 -44.2 13.8 1.3 77.2 272 273 A A H X S+ 0 0 0 -4,-3.5 4,-2.3 2,-0.2 -1,-0.2 0.877 113.8 47.2 -67.0 -39.0 14.9 4.2 75.0 273 274 A V H X S+ 0 0 1 -4,-2.1 4,-1.3 -5,-0.3 -2,-0.2 0.867 113.7 48.0 -70.7 -38.2 16.3 1.9 72.3 274 275 A I H X S+ 0 0 22 -4,-2.5 4,-0.7 2,-0.2 3,-0.3 0.949 115.5 44.1 -67.7 -47.9 13.1 -0.2 72.2 275 276 A E H >< S+ 0 0 39 -4,-2.4 3,-0.9 1,-0.2 4,-0.5 0.898 113.6 51.5 -62.6 -40.4 10.9 2.9 72.1 276 277 A G H >X S+ 0 0 0 -4,-2.3 4,-1.6 1,-0.2 3,-0.7 0.758 95.8 70.8 -68.5 -24.1 13.1 4.5 69.5 277 278 A A H 3X S+ 0 0 3 -4,-1.3 4,-1.3 -3,-0.3 -1,-0.2 0.813 84.0 69.8 -62.4 -31.1 12.9 1.3 67.4 278 279 A K H <<>S+ 0 0 97 -3,-0.9 5,-1.0 -4,-0.7 3,-0.4 0.920 104.2 41.6 -52.7 -45.6 9.3 2.1 66.6 279 280 A F H X45S+ 0 0 66 -3,-0.7 3,-1.8 -4,-0.5 -1,-0.2 0.948 109.0 58.0 -66.2 -51.9 10.5 5.1 64.5 280 281 A I H 3<5S+ 0 0 18 -4,-1.6 -1,-0.2 1,-0.3 -2,-0.2 0.676 114.4 40.0 -54.7 -18.1 13.4 3.2 62.9 281 282 A M T 3<5S- 0 0 82 -4,-1.3 -1,-0.3 -3,-0.4 -2,-0.2 0.139 132.4 -56.1-123.7 25.8 10.9 0.6 61.6 282 283 A G T < 5S+ 0 0 53 -3,-1.8 -3,-0.2 1,-0.3 -4,-0.1 -0.326 85.8 113.5 147.0 -69.3 7.9 2.5 60.4 283 284 A D < - 0 0 68 -5,-1.0 -1,-0.3 1,-0.1 4,-0.1 -0.197 30.7-179.3 -49.8 119.4 5.9 4.9 62.6 284 285 A S S S+ 0 0 106 1,-0.1 -1,-0.1 2,-0.1 -5,-0.1 -0.229 77.2 51.5-115.0 40.9 6.2 8.4 61.4 285 286 A S S >> S+ 0 0 51 2,-0.0 4,-1.9 3,-0.0 3,-0.7 0.376 81.7 84.3-144.1 -23.1 4.0 10.1 64.1 286 287 A V H 3> S+ 0 0 2 1,-0.3 4,-2.1 2,-0.2 5,-0.1 0.738 85.8 63.4 -59.3 -23.2 5.6 8.7 67.3 287 288 A Q H 3> S+ 0 0 50 2,-0.2 4,-2.3 1,-0.2 -1,-0.3 0.920 103.9 44.7 -68.8 -42.8 8.1 11.5 67.0 288 289 A D H <> S+ 0 0 106 -3,-0.7 4,-2.3 1,-0.2 -2,-0.2 0.864 110.7 56.6 -67.1 -33.8 5.4 14.1 67.4 289 290 A Q H X S+ 0 0 89 -4,-1.9 4,-3.0 2,-0.2 -2,-0.2 0.898 106.9 48.6 -62.5 -41.3 4.1 11.8 70.2 290 291 A W H X S+ 0 0 0 -4,-2.1 4,-3.0 2,-0.2 -2,-0.2 0.938 110.8 48.9 -64.5 -47.1 7.5 12.1 71.9 291 292 A K H X>S+ 0 0 94 -4,-2.3 4,-0.9 1,-0.2 5,-0.7 0.881 113.1 50.7 -58.8 -37.1 7.5 15.9 71.5 292 293 A E H ><5S+ 0 0 136 -4,-2.3 3,-0.8 1,-0.2 -2,-0.2 0.966 114.2 40.8 -63.5 -55.6 4.0 15.8 73.0 293 294 A L H 3<5S+ 0 0 105 -4,-3.0 -2,-0.2 1,-0.2 -1,-0.2 0.819 106.2 65.3 -64.5 -32.7 4.9 13.7 76.0 294 295 A S H 3<5S- 0 0 9 -4,-3.0 -1,-0.2 -5,-0.2 -2,-0.2 0.783 88.3-150.1 -62.6 -28.6 8.2 15.6 76.6 295 296 A H T <<5 + 0 0 137 -4,-0.9 -3,-0.1 -3,-0.8 -2,-0.1 0.905 33.0 162.5 57.9 44.4 6.3 18.8 77.4 296 297 A E < 0 0 8 -5,-0.7 -146,-3.2 1,-0.2 -144,-0.2 0.721 360.0 360.0 -66.9 -21.7 9.2 20.9 76.1 297 298 A D 0 0 155 -148,-0.2 -1,-0.2 -147,-0.1 -148,-0.1 -0.514 360.0 360.0 -74.5 360.0 6.9 24.0 75.8