==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=4-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 18-JUN-07 2QBP . COMPND 2 MOLECULE: TYROSINE-PROTEIN PHOSPHATASE NON-RECEPTOR TYPE 1; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR W.XU . 297 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13496.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 212 71.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 13 4.4 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 . 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 9.4 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 . 88 29.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 9 3.0 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 0 0 0 0 1 1 2 1 0 1 0 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 2 1 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 . 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,-2.4 0, 0.0 3,-0.4 0.000 360.0 360.0 360.0 138.2 69.1 15.2 20.4 2 3 A M H > + 0 0 6 238,-0.4 4,-1.7 241,-0.3 5,-0.1 0.710 360.0 48.5 -73.7 -27.9 66.7 17.1 18.3 3 4 A E H > S+ 0 0 103 2,-0.2 4,-1.5 1,-0.2 -1,-0.3 0.832 116.1 41.9 -84.2 -34.6 68.6 20.3 17.7 4 5 A K H > S+ 0 0 147 -3,-0.4 4,-1.4 2,-0.2 -2,-0.2 0.832 116.7 50.8 -75.5 -35.4 71.9 18.8 16.7 5 6 A E H X S+ 0 0 36 -4,-2.4 4,-2.4 2,-0.2 -2,-0.2 0.857 108.6 51.3 -69.1 -36.8 70.0 16.2 14.6 6 7 A F H X S+ 0 0 20 -4,-1.7 4,-2.3 -5,-0.2 -2,-0.2 0.928 110.8 47.2 -66.0 -45.3 68.0 18.9 12.9 7 8 A E H X S+ 0 0 136 -4,-1.5 4,-1.1 1,-0.2 -1,-0.2 0.808 112.1 53.7 -65.6 -27.7 71.2 20.8 12.0 8 9 A Q H X S+ 0 0 117 -4,-1.4 4,-1.6 2,-0.2 -2,-0.2 0.938 111.3 41.4 -70.9 -51.0 72.6 17.5 10.8 9 10 A I H <>S+ 0 0 5 -4,-2.4 5,-1.3 1,-0.2 6,-0.3 0.881 114.6 53.0 -65.9 -39.4 69.8 16.5 8.4 10 11 A D H <5S+ 0 0 65 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.832 104.8 55.4 -61.5 -33.0 69.5 20.1 7.1 11 12 A K H <5S+ 0 0 149 -4,-1.1 -2,-0.2 -5,-0.2 -1,-0.2 0.937 117.0 36.4 -79.4 -50.0 73.2 20.2 6.3 12 13 A S T <5S- 0 0 51 -4,-1.6 3,-0.1 -5,-0.1 0, 0.0 -0.219 100.5-119.8 -56.6 176.5 72.9 17.2 4.2 13 14 A G T 5 + 0 0 77 -2,-0.1 3,-0.5 1,-0.1 4,-0.2 -0.428 67.5 130.6-120.5 58.0 69.5 17.3 2.4 14 15 A S >< + 0 0 33 -5,-1.3 4,-3.9 1,-0.2 5,-0.2 0.032 28.6 108.0-108.4 24.3 68.1 14.1 3.8 15 16 A W H > S+ 0 0 24 -6,-0.3 4,-2.3 2,-0.2 -1,-0.2 0.828 85.3 48.7 -68.5 -32.9 64.7 15.2 4.9 16 17 A A H > S+ 0 0 65 -3,-0.5 4,-2.4 2,-0.2 -1,-0.2 0.919 116.5 42.6 -67.4 -46.2 63.2 13.3 2.0 17 18 A A H > S+ 0 0 51 -4,-0.2 4,-1.8 2,-0.2 -2,-0.2 0.934 115.9 48.0 -66.3 -47.7 65.3 10.2 3.1 18 19 A I H X S+ 0 0 28 -4,-3.9 4,-1.1 1,-0.2 3,-0.3 0.955 114.1 47.4 -57.4 -51.6 64.6 10.7 6.8 19 20 A Y H >X S+ 0 0 9 -4,-2.3 4,-1.1 1,-0.2 3,-0.6 0.884 109.2 53.6 -58.4 -43.3 60.9 11.1 6.1 20 21 A Q H 3X S+ 0 0 98 -4,-2.4 4,-2.2 1,-0.2 -1,-0.2 0.836 99.6 62.3 -62.2 -34.7 60.7 8.1 3.8 21 22 A D H 3X S+ 0 0 78 -4,-1.8 4,-2.0 -3,-0.3 -1,-0.2 0.867 99.5 55.5 -60.1 -35.1 62.3 5.9 6.5 22 23 A I H + 0 0 21 20,-0.2 4,-1.2 1,-0.1 20,-0.1 -0.319 33.4 143.9-124.8 45.4 41.7 -1.9 8.4 32 33 A R T >4 + 0 0 178 1,-0.2 3,-0.6 2,-0.2 4,-0.3 0.902 67.7 48.5 -53.6 -52.4 39.0 -4.6 7.7 33 34 A V G >4 S+ 0 0 32 1,-0.2 3,-1.9 2,-0.2 6,-0.2 0.933 109.4 52.5 -56.8 -49.0 36.0 -2.7 9.1 34 35 A A G 34 S+ 0 0 1 16,-0.3 -1,-0.2 1,-0.3 -2,-0.2 0.763 108.7 52.5 -59.2 -26.9 36.8 0.5 7.2 35 36 A K G << S+ 0 0 117 -4,-1.2 -1,-0.3 -3,-0.6 -2,-0.2 0.363 79.8 121.3 -92.6 4.6 37.1 -1.5 4.0 36 37 A L S X S- 0 0 80 -3,-1.9 3,-2.1 -4,-0.3 4,-0.2 -0.459 73.9-118.1 -69.0 141.1 33.7 -3.2 4.3 37 38 A P G > S+ 0 0 117 0, 0.0 3,-1.4 0, 0.0 4,-0.3 0.825 111.7 57.1 -46.4 -43.0 31.3 -2.5 1.3 38 39 A K G 3 S+ 0 0 124 1,-0.3 3,-0.2 2,-0.1 -4,-0.1 0.682 105.2 52.2 -68.0 -17.0 28.7 -0.8 3.5 39 40 A N G X S+ 0 0 1 -3,-2.1 3,-1.9 -6,-0.2 4,-0.4 0.308 76.0 102.4-101.1 8.8 31.3 1.8 4.8 40 41 A K G X S+ 0 0 173 -3,-1.4 3,-1.3 1,-0.3 -1,-0.2 0.922 83.1 48.7 -57.8 -45.1 32.5 2.9 1.4 41 42 A N G 3 S+ 0 0 105 -4,-0.3 -1,-0.3 1,-0.2 48,-0.2 0.295 102.2 66.2 -79.6 12.3 30.5 6.1 1.5 42 43 A R G < S+ 0 0 24 -3,-1.9 25,-0.5 -8,-0.2 2,-0.4 0.433 89.5 75.3-108.2 -3.7 31.8 6.8 5.0 43 44 A N < - 0 0 25 -3,-1.3 3,-0.1 -4,-0.4 6,-0.1 -0.928 58.6-163.4-113.1 132.6 35.4 7.3 3.9 44 45 A R S S+ 0 0 50 -2,-0.4 2,-0.4 1,-0.2 -1,-0.1 0.838 82.8 38.4 -79.4 -35.1 36.6 10.5 2.1 45 46 A Y > - 0 0 79 3,-0.4 3,-1.6 1,-0.1 -1,-0.2 -0.971 67.5-147.6-125.4 127.4 39.8 8.8 0.9 46 47 A R T 3 S+ 0 0 187 -2,-0.4 -1,-0.1 1,-0.3 -2,-0.0 0.844 101.6 44.9 -56.0 -36.6 40.2 5.3 -0.4 47 48 A D T 3 S+ 0 0 111 1,-0.1 2,-0.5 2,-0.0 -1,-0.3 0.245 99.6 74.9 -97.2 14.7 43.8 5.1 0.9 48 49 A V < + 0 0 17 -3,-1.6 -3,-0.4 2,-0.0 -4,-0.2 -0.902 59.2 150.6-130.2 105.0 43.3 6.6 4.4 49 50 A S - 0 0 5 -2,-0.5 208,-0.6 -6,-0.1 2,-0.2 -0.929 44.5-111.1-134.1 155.3 41.6 4.4 6.9 50 51 A P - 0 0 0 0, 0.0 -16,-0.3 0, 0.0 206,-0.1 -0.596 38.8-112.2 -82.6 144.7 41.6 3.8 10.7 51 52 A F >> - 0 0 1 204,-0.4 4,-0.7 -2,-0.2 3,-0.6 -0.485 23.4-124.0 -71.0 149.9 43.1 0.6 11.9 52 53 A D G >4 S+ 0 0 33 -22,-2.4 3,-0.7 1,-0.2 -1,-0.1 0.896 106.8 58.3 -62.3 -39.6 40.5 -1.7 13.5 53 54 A H G 34 S+ 0 0 106 -23,-0.4 -1,-0.2 1,-0.2 -22,-0.1 0.723 118.7 27.4 -66.0 -22.8 42.3 -1.9 16.8 54 55 A S G <4 S+ 0 0 9 -3,-0.6 16,-2.9 201,-0.1 -1,-0.2 0.265 88.9 125.2-123.1 11.4 42.3 1.8 17.5 55 56 A R B << -A 69 0A 27 -3,-0.7 2,-0.5 -4,-0.7 14,-0.3 -0.385 64.8-114.9 -72.5 150.4 39.2 3.0 15.6 56 57 A I - 0 0 8 12,-2.0 2,-0.5 10,-0.3 10,-0.5 -0.751 29.7-147.1 -84.8 127.3 36.5 4.9 17.5 57 58 A K - 0 0 113 -2,-0.5 2,-0.2 8,-0.1 8,-0.2 -0.853 8.7-132.7 -99.9 130.0 33.3 2.9 17.6 58 59 A L - 0 0 4 6,-2.3 2,-1.7 -2,-0.5 39,-0.1 -0.550 24.3-117.4 -76.4 145.5 30.0 4.7 17.5 59 60 A H S S+ 0 0 126 -2,-0.2 2,-0.3 37,-0.1 -1,-0.1 -0.476 77.7 103.8 -86.8 68.4 27.6 3.5 20.1 60 61 A Q - 0 0 53 -2,-1.7 -2,-0.1 1,-0.1 0, 0.0 -0.974 64.7-142.1-150.4 133.5 24.9 2.2 17.8 61 62 A E S S+ 0 0 205 -2,-0.3 3,-0.2 1,-0.1 -1,-0.1 0.761 94.7 66.9 -65.3 -28.3 23.9 -1.3 16.7 62 63 A D S S- 0 0 127 1,-0.3 2,-0.4 2,-0.0 -1,-0.1 0.989 125.9 -23.4 -56.3 -75.9 23.1 -0.2 13.2 63 64 A N - 0 0 13 2,-0.0 -1,-0.3 1,-0.0 -2,-0.1 -0.965 55.0-170.9-142.7 120.0 26.6 0.7 11.9 64 65 A D + 0 0 46 -2,-0.4 -6,-2.3 -3,-0.2 2,-0.4 0.179 47.0 122.0 -98.6 18.4 29.3 1.7 14.4 65 66 A Y + 0 0 0 -8,-0.2 2,-0.3 -32,-0.1 -8,-0.1 -0.671 22.7 152.7 -93.6 135.2 31.8 2.9 11.9 66 67 A I - 0 0 8 -10,-0.5 2,-2.0 -2,-0.4 -10,-0.3 -0.968 51.4-110.8-149.0 141.6 33.4 6.4 11.5 67 68 A N S S+ 0 0 0 -25,-0.5 17,-1.6 -2,-0.3 2,-0.3 -0.545 76.7 113.0 -79.4 81.1 36.8 7.1 10.0 68 69 A A E - B 0 83A 0 -2,-2.0 -12,-2.0 -12,-0.2 2,-0.3 -0.989 47.2-155.4-150.6 145.4 38.5 8.1 13.3 69 70 A S E -AB 55 82A 0 13,-2.1 13,-1.4 -2,-0.3 2,-0.8 -0.893 17.7-129.0-122.9 153.3 41.4 6.7 15.4 70 71 A L E - B 0 81A 35 -16,-2.9 2,-1.1 -2,-0.3 11,-0.2 -0.882 18.0-161.2-105.4 106.5 42.2 7.0 19.0 71 72 A I E - B 0 80A 0 9,-2.1 9,-1.7 -2,-0.8 2,-0.8 -0.774 12.1-173.1 -88.2 100.3 45.9 7.9 19.4 72 73 A K E - B 0 79A 122 -2,-1.1 2,-1.3 7,-0.2 7,-0.2 -0.842 10.1-161.8-101.9 104.4 46.6 7.0 23.0 73 74 A M E >> - B 0 78A 9 5,-1.8 4,-2.4 -2,-0.8 5,-1.0 -0.687 7.1-173.7 -88.0 91.5 50.1 8.1 24.0 74 75 A E T 45S+ 0 0 174 -2,-1.3 -1,-0.2 1,-0.2 5,-0.0 0.896 80.0 43.5 -49.6 -55.0 50.8 6.0 27.1 75 76 A E T 45S+ 0 0 95 1,-0.2 -1,-0.2 2,-0.1 -2,-0.1 0.914 120.3 40.6 -62.6 -45.4 54.0 7.6 28.2 76 77 A A T 45S- 0 0 5 2,-0.1 -1,-0.2 1,-0.0 -2,-0.2 0.748 100.9-138.7 -75.0 -23.8 52.9 11.2 27.6 77 78 A Q T <5 + 0 0 157 -4,-2.4 2,-0.3 1,-0.2 -3,-0.2 0.874 61.3 114.3 65.9 42.0 49.4 10.4 29.1 78 79 A R E < -B 73 0A 49 -5,-1.0 -5,-1.8 2,-0.0 2,-0.3 -0.998 46.0-159.4-140.5 138.0 47.4 12.4 26.6 79 80 A S E -B 72 0A 36 -2,-0.3 131,-0.8 -7,-0.2 2,-0.3 -0.864 6.1-172.7-115.5 152.5 44.9 11.1 24.0 80 81 A Y E -Bc 71 210A 0 -9,-1.7 -9,-2.1 -2,-0.3 2,-0.6 -0.965 22.1-136.4-131.3 157.8 43.5 12.5 20.7 81 82 A I E -Bc 70 211A 0 129,-3.0 131,-2.8 -2,-0.3 2,-0.6 -0.927 22.6-166.7-107.3 104.9 40.9 11.5 18.3 82 83 A L E +Bc 69 212A 0 -13,-1.4 -13,-2.1 -2,-0.6 2,-0.3 -0.820 19.7 163.2 -91.1 117.9 42.2 12.1 14.7 83 84 A T E -B 68 0A 3 129,-2.0 131,-0.4 -2,-0.6 -15,-0.2 -0.870 37.6-102.6-133.5 162.7 39.5 12.0 12.2 84 85 A Q - 0 0 6 -17,-1.6 132,-0.2 -2,-0.3 131,-0.2 -0.322 55.4 -80.2 -76.8 165.6 38.8 13.0 8.5 85 86 A G - 0 0 0 130,-2.6 -1,-0.1 34,-0.3 -41,-0.1 -0.549 63.3-100.2 -67.2 128.8 36.8 16.0 7.6 86 87 A P - 0 0 3 0, 0.0 35,-2.6 0, 0.0 5,-0.1 -0.190 34.5-134.9 -53.7 138.4 33.1 14.9 8.0 87 88 A L >> - 0 0 21 33,-0.2 3,-1.7 -45,-0.1 4,-0.6 -0.431 32.3 -95.7 -88.7 166.2 31.3 14.0 4.8 88 89 A P T 34 S+ 0 0 115 0, 0.0 3,-0.3 0, 0.0 -1,-0.1 0.828 128.1 41.0 -52.6 -31.2 27.7 15.2 4.0 89 90 A N T 34 S+ 0 0 68 -48,-0.2 4,-0.2 1,-0.2 3,-0.1 0.459 112.4 54.6 -96.8 -1.6 26.4 11.9 5.4 90 91 A T T <> S+ 0 0 6 -3,-1.7 4,-2.6 2,-0.1 -1,-0.2 0.294 71.4 96.4-117.0 12.4 28.7 11.6 8.4 91 92 A C H X S+ 0 0 13 -4,-0.6 4,-2.3 -3,-0.3 5,-0.2 0.897 88.0 52.1 -66.2 -38.5 28.2 14.9 10.3 92 93 A G H > S+ 0 0 3 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.943 111.3 47.2 -59.9 -46.1 25.7 13.2 12.6 93 94 A H H > S+ 0 0 11 -4,-0.2 4,-2.7 1,-0.2 -2,-0.2 0.913 108.3 56.7 -59.9 -45.0 28.3 10.5 13.2 94 95 A F H X S+ 0 0 1 -4,-2.6 4,-2.0 1,-0.2 -1,-0.2 0.915 111.5 40.6 -54.1 -49.8 31.0 13.1 13.9 95 96 A W H X S+ 0 0 0 -4,-2.3 4,-2.2 2,-0.2 -1,-0.2 0.772 110.0 59.0 -74.2 -24.8 29.0 14.8 16.6 96 97 A E H X S+ 0 0 12 -4,-1.8 4,-3.4 -5,-0.2 5,-0.3 0.944 108.5 46.5 -65.9 -45.3 27.8 11.4 18.0 97 98 A M H X S+ 0 0 0 -4,-2.7 4,-3.0 2,-0.2 6,-0.3 0.927 109.8 52.8 -61.0 -46.2 31.5 10.6 18.5 98 99 A V H <>S+ 0 0 0 -4,-2.0 5,-2.1 1,-0.2 4,-0.3 0.920 116.2 41.2 -55.0 -44.3 32.2 13.9 20.1 99 100 A W H ><5S+ 0 0 20 -4,-2.2 3,-0.8 3,-0.2 -2,-0.2 0.923 116.5 45.7 -70.8 -48.3 29.4 13.3 22.5 100 101 A E H 3<5S+ 0 0 33 -4,-3.4 -2,-0.2 1,-0.2 -3,-0.2 0.891 115.5 47.1 -65.8 -37.9 30.0 9.7 23.2 101 102 A Q T 3<5S- 0 0 50 -4,-3.0 -1,-0.2 -5,-0.3 -2,-0.2 0.488 108.7-127.2 -81.7 -2.8 33.8 10.2 23.7 102 103 A K T < 5 + 0 0 129 -3,-0.8 106,-2.6 -4,-0.3 -3,-0.2 0.799 41.7 178.4 62.9 32.6 33.1 13.2 25.9 103 104 A S < - 0 0 3 -5,-2.1 -1,-0.2 -6,-0.3 107,-0.1 -0.382 21.5-171.8 -69.4 143.2 35.3 15.5 23.9 104 105 A R + 0 0 49 104,-0.5 67,-2.3 98,-0.4 2,-0.3 0.698 67.8 41.2-105.2 -30.4 35.5 19.1 25.0 105 106 A G E -d 171 0A 0 97,-0.4 106,-2.4 65,-0.2 2,-0.4 -0.913 56.7-163.2-126.3 151.7 37.5 20.6 22.1 106 107 A V E -de 172 211A 0 65,-2.5 67,-3.0 -2,-0.3 2,-0.5 -0.996 11.0-158.8-130.7 124.0 37.5 20.2 18.3 107 108 A V E -de 173 212A 0 104,-3.3 106,-2.5 -2,-0.4 2,-0.6 -0.914 4.4-168.9-109.3 125.1 40.5 21.4 16.3 108 109 A M E +de 174 213A 0 65,-3.6 67,-2.0 -2,-0.5 106,-0.2 -0.942 10.2 176.6-117.6 115.0 40.1 22.1 12.6 109 110 A L + 0 0 0 104,-2.1 2,-0.3 -2,-0.6 105,-0.2 0.206 62.3 57.0-104.7 13.4 43.3 22.6 10.6 110 111 A N S S- 0 0 1 103,-0.4 2,-0.3 104,-0.2 67,-0.1 -0.832 75.7-117.6-135.6 173.8 41.8 23.0 7.2 111 112 A R - 0 0 120 -2,-0.3 8,-0.3 67,-0.1 3,-0.1 -0.822 31.8-113.4-111.6 153.1 39.3 25.2 5.3 112 113 A V S S+ 0 0 35 -2,-0.3 7,-2.2 1,-0.2 8,-0.9 0.906 107.4 36.4 -52.8 -44.0 36.1 23.8 3.8 113 114 A M E +I 118 0B 97 5,-0.2 2,-0.4 6,-0.2 5,-0.2 -0.952 68.9 167.0-117.6 125.2 37.4 24.6 0.3 114 115 A E E > S-I 117 0B 1 3,-2.1 3,-2.8 -2,-0.5 -4,-0.0 -0.999 71.4 -10.6-134.5 134.4 41.1 24.3 -0.6 115 116 A K T 3 S- 0 0 159 -2,-0.4 -1,-0.1 1,-0.3 3,-0.1 0.843 129.5 -54.0 46.0 41.3 42.5 24.4 -4.1 116 117 A G T 3 S+ 0 0 65 1,-0.2 2,-0.3 -3,-0.0 -1,-0.3 0.406 114.7 112.0 80.1 -3.1 39.0 24.2 -5.6 117 118 A S E < S-I 114 0B 69 -3,-2.8 -3,-2.1 2,-0.0 2,-1.2 -0.787 71.8-122.9-108.1 147.6 38.0 21.0 -3.7 118 119 A L E +I 113 0B 121 -2,-0.3 -5,-0.2 -5,-0.2 -6,-0.1 -0.727 33.6 176.3 -86.8 94.5 35.4 20.6 -0.9 119 120 A K + 0 0 20 -7,-2.2 2,-0.3 -2,-1.2 -34,-0.3 0.563 63.1 12.4 -82.0 -8.8 37.7 19.1 1.8 120 121 A C S S- 0 0 3 -8,-0.9 -1,-0.2 -3,-0.1 -33,-0.2 -0.959 75.7-111.1-168.4 141.6 35.0 19.0 4.5 121 122 A A - 0 0 17 -35,-2.6 2,-1.7 -2,-0.3 3,-0.1 -0.315 43.3-102.5 -72.9 162.9 31.3 19.4 4.9 122 123 A Q + 0 0 61 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4,-1.9 2,-0.2 -1,-0.2 0.874 111.7 54.0 -67.4 -37.4 57.3 9.3 19.2 249 250 A L H X S+ 0 0 0 -4,-2.8 4,-1.7 -5,-0.2 -2,-0.2 0.935 108.5 49.3 -58.0 -48.9 56.1 9.9 15.6 250 251 A L H < S+ 0 0 36 -4,-2.9 4,-0.4 1,-0.2 -223,-0.3 0.899 108.6 54.1 -54.1 -43.1 56.5 6.2 15.0 251 252 A E H >< S+ 0 0 65 -4,-2.0 3,-0.9 1,-0.2 4,-0.3 0.863 106.4 51.5 -62.9 -37.1 54.5 5.5 18.2 252 253 A M H >X S+ 0 0 0 -4,-1.9 3,-1.5 1,-0.2 4,-0.8 0.847 101.6 62.0 -66.5 -35.0 51.7 7.7 17.0 253 254 A R T 3< S+ 0 0 8 -4,-1.7 -1,-0.2 1,-0.3 -2,-0.2 0.563 87.2 71.7 -71.2 -8.1 51.6 5.8 13.7 254 255 A K T <4 S+ 0 0 82 -3,-0.9 -1,-0.3 -4,-0.4 -2,-0.2 0.774 105.3 40.7 -74.5 -24.6 50.7 2.6 15.6 255 256 A F T <4 S+ 0 0 36 -3,-1.5 -204,-0.4 -4,-0.3 2,-0.3 0.619 131.7 9.0 -98.0 -17.7 47.2 4.2 16.2 256 257 A R S >< S- 0 0 0 -4,-0.8 3,-0.6 -206,-0.1 -1,-0.3 -0.894 78.1-116.9-164.8 135.1 46.7 5.7 12.8 257 258 A M T 3 S+ 0 0 49 -208,-0.6 -3,-0.1 -2,-0.3 -229,-0.1 -0.251 84.9 16.9 -69.2 153.9 48.5 5.5 9.4 258 259 A G T 3 + 0 0 14 1,-0.2 2,-0.5 -5,-0.1 -1,-0.2 0.595 67.7 177.3 76.0 14.8 50.3 8.2 7.5 259 260 A L < + 0 0 0 -3,-0.6 -40,-0.2 -10,-0.1 -1,-0.2 -0.398 66.9 22.8 -59.3 110.2 50.6 10.8 10.3 260 261 A I S S- 0 0 0 -42,-2.8 -41,-0.2 -2,-0.5 -40,-0.1 0.634 72.0-154.0 90.7 111.2 52.5 13.6 8.7 261 262 A Q + 0 0 55 -79,-0.1 2,-0.3 -42,-0.0 -42,-0.1 0.804 65.0 36.2 -92.2 -33.2 52.3 13.8 4.9 262 263 A T S > S- 0 0 32 -80,-0.1 4,-1.5 -43,-0.1 5,-0.1 -0.805 72.1-119.6-128.3 159.4 55.5 15.5 3.8 263 264 A A H > S+ 0 0 22 -2,-0.3 4,-2.2 1,-0.2 5,-0.1 0.867 116.0 52.7 -64.5 -36.7 59.2 15.8 4.7 264 265 A D H > S+ 0 0 82 2,-0.2 4,-2.8 1,-0.2 -1,-0.2 0.848 102.8 56.2 -70.4 -33.0 58.8 19.5 5.3 265 266 A Q H > S+ 0 0 1 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.912 110.5 46.8 -63.0 -38.7 55.9 19.0 7.7 266 267 A L H X S+ 0 0 0 -4,-1.5 4,-1.8 2,-0.2 -2,-0.2 0.898 110.0 52.3 -67.2 -41.8 58.2 16.8 9.6 267 268 A R H X S+ 0 0 65 -4,-2.2 4,-2.2 1,-0.2 -2,-0.2 0.927 109.4 50.4 -60.3 -42.5 61.0 19.4 9.4 268 269 A F H X S+ 0 0 9 -4,-2.8 4,-3.2 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-4,-0.5 -1,-0.2 0.941 105.7 39.2 -49.3 -50.9 61.8 27.7 25.3 279 280 A F H X<5S+ 0 0 65 -3,-0.6 3,-2.2 -4,-0.5 -2,-0.2 0.948 112.6 55.3 -63.9 -51.7 58.5 28.0 27.1 280 281 A I H 3<5S+ 0 0 9 -4,-1.9 -2,-0.2 1,-0.3 -1,-0.2 0.880 108.1 51.1 -49.8 -41.7 58.6 24.5 28.6 281 282 A M T 3<5S- 0 0 92 -4,-3.1 -1,-0.3 -5,-0.2 -2,-0.2 0.212 133.0 -77.5 -87.5 17.3 62.0 25.2 30.2 282 283 A G T < 5S+ 0 0 58 -3,-2.2 2,-0.7 1,-0.3 -3,-0.2 0.190 80.4 137.5 115.8 -20.9 61.1 28.5 31.9 283 284 A D < - 0 0 61 -5,-2.3 4,-0.3 -6,-0.2 -1,-0.3 -0.497 24.3-179.8 -67.0 110.4 61.0 31.2 29.3 284 285 A S S S+ 0 0 102 -2,-0.7 4,-0.3 1,-0.2 -1,-0.2 0.524 71.7 58.2 -88.7 -7.4 57.9 33.2 30.2 285 286 A S S >> S+ 0 0 57 2,-0.1 4,-1.8 1,-0.1 3,-0.5 0.743 83.7 76.4 -96.0 -23.9 58.2 35.8 27.5 286 287 A V H 3> S+ 0 0 2 1,-0.2 4,-3.1 2,-0.2 5,-0.2 0.862 86.4 64.1 -54.7 -40.0 58.2 33.6 24.3 287 288 A Q H 3> S+ 0 0 54 -4,-0.3 4,-1.8 1,-0.2 -1,-0.2 0.918 107.3 41.3 -48.9 -51.3 54.4 33.1 24.6 288 289 A D H <> S+ 0 0 104 -3,-0.5 4,-2.3 -4,-0.3 -1,-0.2 0.853 111.4 56.9 -69.1 -35.1 53.7 36.8 24.0 289 290 A Q H X S+ 0 0 88 -4,-1.8 4,-3.2 2,-0.2 5,-0.2 0.941 106.4 49.8 -60.2 -46.3 56.4 37.0 21.4 290 291 A W H X S+ 0 0 2 -4,-3.1 4,-2.4 1,-0.2 -1,-0.2 0.904 108.6 53.1 -58.1 -42.9 54.6 34.2 19.5 291 292 A K H X>S+ 0 0 86 -4,-1.8 5,-0.9 -5,-0.2 4,-0.8 0.911 112.8 44.0 -59.2 -43.1 51.4 36.2 19.8 292 293 A E H ><5S+ 0 0 135 -4,-2.3 3,-0.9 1,-0.2 -2,-0.2 0.950 114.9 47.8 -65.9 -51.3 53.1 39.3 18.3 293 294 A L H 3<5S+ 0 0 96 -4,-3.2 -2,-0.2 1,-0.2 -1,-0.2 0.809 106.1 58.6 -60.3 -33.4 54.8 37.3 15.5 294 295 A S H 3<5S- 0 0 5 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.742 93.3-146.0 -71.2 -23.3 51.6 35.5 14.6 295 296 A H T <<5 + 0 0 129 -3,-0.9 -3,-0.1 -4,-0.8 -2,-0.1 0.906 32.0 167.6 58.8 45.2 49.8 38.8 13.9 296 297 A E < 0 0 7 -5,-0.9 -146,-2.5 -146,-0.1 -144,-0.2 0.633 360.0 360.0 -66.2 -12.9 46.5 37.5 15.2 297 298 A D 0 0 154 -148,-0.2 -148,-0.1 -5,-0.1 -1,-0.0 -0.860 360.0 360.0 -99.1 360.0 44.9 41.0 15.2