==== 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 23-NOV-99 1DG9 . COMPND 2 MOLECULE: TYROSINE PHOSPHATASE; . SOURCE 2 ORGANISM_SCIENTIFIC: BOS TAURUS; . AUTHOR M.ZHANG,M.ZHOU,R.L.VAN ETTEN,C.V.STAUFFACHER . 157 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8317.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 112 71.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 20 12.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 0 0.0 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 . 7 4.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 21 13.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 52 33.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 1.3 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 1 0 1 0 0 0 1 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 0 0 2 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 0 PARALLEL BRIDGES PER LADDER . 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 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 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 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 A 0 0 154 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 87.3 24.3 8.9 43.0 2 2 A E + 0 0 171 36,-0.0 2,-0.2 2,-0.0 36,-0.0 -0.992 360.0 119.3-146.1 149.3 25.9 12.0 44.6 3 3 A Q - 0 0 98 -2,-0.3 2,-0.3 0, 0.0 0, 0.0 -0.712 54.0 -56.6-164.5-148.3 27.3 15.5 44.0 4 4 A V - 0 0 91 -2,-0.2 2,-0.6 34,-0.1 -2,-0.0 -0.819 46.0-107.3-115.7 160.3 26.8 19.2 44.8 5 5 A T - 0 0 95 -2,-0.3 2,-0.3 34,-0.1 34,-0.2 -0.769 36.5-176.8 -96.3 118.7 23.8 21.6 44.4 6 6 A K E -a 39 0A 45 32,-3.0 34,-2.3 -2,-0.6 2,-0.4 -0.796 5.9-157.7-109.6 155.9 24.1 24.2 41.6 7 7 A S E -a 40 0A 12 -2,-0.3 80,-1.4 32,-0.2 79,-0.6 -0.988 10.3-175.2-141.2 147.6 21.7 27.0 40.7 8 8 A V E -ab 41 87A 0 32,-2.3 34,-1.9 -2,-0.4 2,-0.5 -0.999 8.9-160.0-142.6 138.6 20.9 29.2 37.8 9 9 A L E -ab 42 88A 0 78,-2.7 80,-2.5 -2,-0.4 2,-0.5 -0.978 12.4-150.8-117.0 121.4 18.5 32.0 37.3 10 10 A F E -ab 43 89A 0 32,-2.6 34,-2.2 -2,-0.5 2,-0.4 -0.823 20.1-163.9 -90.4 133.6 17.4 32.9 33.8 11 11 A V E +ab 44 90A 0 78,-2.7 80,-1.3 -2,-0.5 2,-0.2 -0.945 20.2 154.6-129.8 135.7 16.5 36.6 33.3 12 12 A C E -a 45 0A 3 32,-1.7 34,-2.1 -2,-0.4 35,-0.2 -0.762 53.9 -92.3-134.4-173.3 14.7 38.8 30.8 13 13 A L S S+ 0 0 79 -2,-0.2 34,-2.4 32,-0.2 33,-0.2 0.977 118.1 10.6 -69.7 -50.8 12.9 42.0 30.8 14 14 A G S S- 0 0 11 31,-0.2 31,-0.2 32,-0.1 -1,-0.1 0.574 84.5-134.5-104.1 -14.1 9.4 40.8 31.5 15 15 A N S S+ 0 0 1 29,-0.3 30,-0.1 59,-0.1 60,-0.1 0.885 84.0 96.7 58.6 33.1 9.9 37.1 32.4 16 16 A I S S+ 0 0 20 39,-0.1 40,-2.4 58,-0.1 43,-0.2 0.555 90.9 14.8-121.4 -28.0 7.0 36.3 30.0 17 17 A C S > S+ 0 0 7 38,-0.2 4,-0.5 42,-0.1 112,-0.0 0.781 127.4 24.5-113.3 -59.8 8.6 35.4 26.7 18 18 A R H > S+ 0 0 5 2,-0.2 4,-2.8 1,-0.1 3,-0.5 0.937 116.7 46.4 -77.2 -57.3 12.4 34.6 26.8 19 19 A S H > S+ 0 0 0 1,-0.3 4,-2.9 2,-0.2 5,-0.2 0.835 109.0 54.1 -65.8 -32.4 13.4 33.4 30.3 20 20 A P H > S+ 0 0 0 0, 0.0 4,-1.8 0, 0.0 -1,-0.3 0.819 110.8 49.7 -69.6 -30.9 10.5 31.0 30.8 21 21 A I H X S+ 0 0 0 -4,-0.5 4,-2.4 -3,-0.5 5,-0.3 0.969 114.0 43.9 -70.0 -49.7 11.6 29.4 27.5 22 22 A A H X S+ 0 0 0 -4,-2.8 4,-2.4 1,-0.2 -3,-0.2 0.898 114.3 50.2 -59.5 -47.1 15.2 29.2 28.6 23 23 A E H X S+ 0 0 8 -4,-2.9 4,-2.3 -5,-0.2 -1,-0.2 0.920 112.4 46.5 -54.2 -47.4 14.2 28.0 32.1 24 24 A A H X S+ 0 0 5 -4,-1.8 4,-1.7 2,-0.2 -2,-0.2 0.881 112.2 50.2 -68.8 -37.4 11.9 25.2 30.7 25 25 A V H X S+ 0 0 5 -4,-2.4 4,-2.1 1,-0.2 -1,-0.2 0.931 111.0 50.5 -62.9 -44.0 14.5 24.1 28.2 26 26 A F H X S+ 0 0 0 -4,-2.4 4,-2.2 -5,-0.3 5,-0.2 0.899 107.6 51.3 -64.7 -42.1 17.1 23.9 30.9 27 27 A R H X S+ 0 0 107 -4,-2.3 4,-2.2 1,-0.2 -1,-0.2 0.859 109.4 52.2 -62.6 -37.8 14.8 21.8 33.2 28 28 A K H X S+ 0 0 86 -4,-1.7 4,-3.1 2,-0.2 -2,-0.2 0.912 109.5 49.5 -64.4 -37.3 14.3 19.4 30.4 29 29 A L H X S+ 0 0 18 -4,-2.1 4,-1.4 1,-0.2 -2,-0.2 0.920 113.0 44.5 -66.3 -48.3 18.0 19.0 29.8 30 30 A V H <>S+ 0 0 1 -4,-2.2 5,-2.5 2,-0.2 6,-0.7 0.866 114.6 49.4 -65.4 -36.0 18.8 18.4 33.3 31 31 A T H ><5S+ 0 0 73 -4,-2.2 3,-2.1 -5,-0.2 -2,-0.2 0.941 109.0 52.2 -68.9 -44.8 15.9 16.0 33.7 32 32 A D H 3<5S+ 0 0 95 -4,-3.1 -1,-0.2 1,-0.3 -2,-0.2 0.774 110.4 50.2 -60.6 -24.8 17.0 14.2 30.6 33 33 A Q T 3<5S- 0 0 55 -4,-1.4 -1,-0.3 -5,-0.2 -2,-0.2 0.196 110.5-122.0 -96.9 10.0 20.4 13.9 32.1 34 34 A N T < 5S+ 0 0 145 -3,-2.1 -3,-0.2 1,-0.1 -2,-0.1 0.744 84.7 107.9 59.1 29.1 19.2 12.5 35.4 35 35 A I > < + 0 0 14 -5,-2.5 3,-2.5 -6,-0.1 -4,-0.2 0.219 31.5 113.4-121.2 17.0 20.8 15.4 37.3 36 36 A S G > + 0 0 45 -6,-0.7 3,-2.1 1,-0.3 -5,-0.1 0.834 69.1 67.8 -54.1 -37.2 17.7 17.4 38.3 37 37 A D G 3 S+ 0 0 153 1,-0.3 -1,-0.3 -7,-0.1 -2,-0.1 0.662 99.9 51.0 -60.2 -15.9 18.3 16.6 41.9 38 38 A N G < S+ 0 0 24 -3,-2.5 -32,-3.0 -8,-0.1 2,-0.4 0.237 101.1 74.8-105.7 10.2 21.5 18.7 41.8 39 39 A W E < -a 6 0A 22 -3,-2.1 2,-0.5 -34,-0.2 -32,-0.2 -0.983 52.2-163.4-132.1 142.9 20.0 21.8 40.3 40 40 A V E -a 7 0A 78 -34,-2.3 -32,-2.3 -2,-0.4 2,-0.4 -0.966 25.4-177.8-113.0 124.3 17.9 24.7 41.4 41 41 A I E +a 8 0A 14 -2,-0.5 2,-0.3 -34,-0.2 -32,-0.2 -0.986 10.0 152.5-129.3 140.5 16.5 26.6 38.4 42 42 A D E -a 9 0A 40 -34,-1.9 -32,-2.6 -2,-0.4 2,-0.3 -0.947 26.8-139.9-153.4 174.1 14.3 29.7 38.1 43 43 A S E +a 10 0A 0 -2,-0.3 2,-0.3 -34,-0.2 -32,-0.2 -0.972 23.0 170.5-139.2 150.3 13.5 32.6 35.9 44 44 A G E -a 11 0A 0 -34,-2.2 -32,-1.7 -2,-0.3 2,-0.3 -0.958 24.1-115.6-155.3 168.2 12.8 36.3 36.7 45 45 A A E -ac 12 76A 2 30,-2.5 32,-3.0 -2,-0.3 -32,-0.2 -0.820 9.7-144.6-114.1 150.2 12.3 39.7 35.3 46 46 A V S S+ 0 0 18 -34,-2.1 -33,-0.2 -2,-0.3 2,-0.2 0.946 92.4 60.3 -71.1 -40.0 14.2 43.0 35.5 47 47 A S - 0 0 38 -34,-2.4 3,-0.3 -35,-0.2 -2,-0.1 -0.459 68.1-151.2 -90.6 149.5 10.8 44.7 35.4 48 48 A D S > S+ 0 0 105 1,-0.2 3,-1.3 -2,-0.2 -1,-0.1 0.452 74.1 98.7 -96.7 -0.1 7.8 44.4 37.8 49 49 A W T 3 S+ 0 0 204 1,-0.3 -1,-0.2 0, 0.0 -35,-0.1 0.687 88.8 33.7 -61.0 -31.5 5.2 45.2 35.1 50 50 A N T > S+ 0 0 28 -3,-0.3 3,-2.2 -36,-0.1 -1,-0.3 0.199 79.8 148.8-111.2 12.8 4.2 41.6 34.5 51 51 A V T < + 0 0 79 -3,-1.3 24,-0.2 1,-0.3 3,-0.1 -0.167 69.4 17.6 -56.1 142.2 4.6 40.0 37.8 52 52 A G T 3 S+ 0 0 33 22,-2.9 -1,-0.3 1,-0.3 2,-0.2 0.269 96.6 127.0 83.0 -12.2 2.2 37.1 38.5 53 53 A R < - 0 0 158 -3,-2.2 21,-3.0 20,-0.1 -1,-0.3 -0.481 60.3-119.4 -79.4 153.6 1.4 36.6 34.8 54 54 A S - 0 0 88 19,-0.2 19,-0.2 -2,-0.2 -1,-0.1 -0.370 46.6 -80.9 -76.9 165.2 1.6 33.4 32.9 55 55 A P - 0 0 13 0, 0.0 -38,-0.2 0, 0.0 -1,-0.2 -0.193 59.8 -79.9 -68.1 153.3 4.0 33.2 30.0 56 56 A D >> - 0 0 19 -40,-2.4 4,-2.3 1,-0.2 3,-1.0 -0.290 39.8-124.2 -49.2 141.8 2.9 34.5 26.7 57 57 A P H 3> S+ 0 0 99 0, 0.0 4,-2.7 0, 0.0 5,-0.2 0.763 111.3 58.6 -63.6 -25.7 0.7 32.0 25.0 58 58 A R H 3> S+ 0 0 58 2,-0.2 4,-1.4 1,-0.2 5,-0.1 0.793 106.2 46.8 -74.1 -30.0 3.1 31.9 22.0 59 59 A A H <> S+ 0 0 0 -3,-1.0 4,-2.6 -43,-0.2 5,-0.2 0.901 112.5 51.9 -72.4 -42.1 5.9 30.9 24.2 60 60 A V H X S+ 0 0 29 -4,-2.3 4,-2.3 2,-0.2 -2,-0.2 0.945 111.7 44.7 -57.1 -48.6 3.6 28.2 25.8 61 61 A S H X S+ 0 0 41 -4,-2.7 4,-2.0 1,-0.2 -1,-0.2 0.895 110.8 55.0 -73.0 -23.6 2.6 26.8 22.4 62 62 A C H X S+ 0 0 6 -4,-1.4 4,-0.9 1,-0.2 -1,-0.2 0.964 109.4 45.5 -70.1 -46.7 6.2 26.9 21.2 63 63 A L H ><>S+ 0 0 2 -4,-2.6 5,-3.0 1,-0.2 3,-1.0 0.916 110.1 56.1 -60.1 -39.9 7.4 24.8 24.1 64 64 A R H ><5S+ 0 0 153 -4,-2.3 3,-2.5 1,-0.3 -1,-0.2 0.917 99.1 60.2 -59.7 -39.7 4.5 22.5 23.6 65 65 A N H 3<5S+ 0 0 133 -4,-2.0 -1,-0.3 1,-0.3 -2,-0.2 0.817 108.2 45.1 -55.2 -31.5 5.6 21.9 20.1 66 66 A H T <<5S- 0 0 64 -3,-1.0 -1,-0.3 -4,-0.9 -2,-0.2 0.090 123.9-104.1 -98.9 11.4 8.9 20.6 21.5 67 67 A G T < 5S+ 0 0 55 -3,-2.5 2,-0.3 1,-0.2 -3,-0.2 0.683 80.4 127.8 77.0 17.1 7.1 18.5 24.1 68 68 A I < - 0 0 12 -5,-3.0 2,-0.3 -6,-0.2 -1,-0.2 -0.827 38.2-163.5-113.5 147.4 7.9 20.8 27.0 69 69 A N - 0 0 121 -2,-0.3 2,-0.3 -45,-0.1 -8,-0.0 -0.833 2.2-165.7-121.3 161.1 5.6 22.4 29.6 70 70 A T - 0 0 43 -2,-0.3 -49,-0.0 2,-0.1 -6,-0.0 -0.999 20.2-176.8-143.9 150.5 5.8 25.2 32.1 71 71 A A + 0 0 101 -2,-0.3 -1,-0.0 2,-0.0 -2,-0.0 0.035 41.5 145.6-125.6 19.4 3.9 26.4 35.1 72 72 A H - 0 0 25 -52,-0.1 2,-0.4 1,-0.0 -2,-0.1 -0.315 34.7-158.8 -65.7 148.8 5.9 29.5 35.7 73 73 A K - 0 0 134 -19,-0.2 -19,-0.2 -53,-0.0 -20,-0.1 -0.993 35.3-101.9-121.3 128.9 4.4 32.8 37.0 74 74 A A + 0 0 6 -21,-3.0 -22,-2.9 -2,-0.4 2,-0.3 -0.099 46.6 175.1 -51.5 138.9 6.4 35.9 36.3 75 75 A R - 0 0 61 -24,-0.2 -30,-2.5 -23,-0.1 2,-0.3 -0.987 28.0-111.6-142.9 156.6 8.4 37.3 39.2 76 76 A Q B -c 45 0A 82 -2,-0.3 -30,-0.2 -32,-0.2 2,-0.1 -0.673 31.6-110.0 -88.9 151.5 10.9 40.1 39.6 77 77 A V - 0 0 2 -32,-3.0 2,-0.3 -2,-0.3 -1,-0.1 -0.409 42.9-166.5 -72.7 145.4 14.6 39.6 40.3 78 78 A T >> - 0 0 48 -2,-0.1 3,-0.7 1,-0.0 4,-0.6 -0.792 35.7 -95.9-129.4 174.7 15.4 40.7 43.9 79 79 A K T >4 S+ 0 0 111 -2,-0.3 3,-0.8 1,-0.3 4,-0.4 0.799 119.8 57.9 -61.0 -36.1 18.5 41.4 45.9 80 80 A E T >> S+ 0 0 116 1,-0.2 4,-1.9 2,-0.2 3,-1.8 0.821 90.4 72.4 -67.0 -30.6 18.6 37.9 47.4 81 81 A D H <> S+ 0 0 9 -3,-0.7 4,-1.9 1,-0.3 -1,-0.2 0.855 93.9 56.6 -49.5 -36.3 18.9 36.5 43.8 82 82 A F H << S+ 0 0 2 -3,-0.8 28,-2.6 -4,-0.6 29,-1.7 0.647 113.2 37.6 -74.7 -19.1 22.4 37.8 43.7 83 83 A V H <4 S+ 0 0 46 -3,-1.8 -1,-0.2 -4,-0.4 -2,-0.2 0.613 119.2 46.1-108.4 -10.1 23.5 36.0 46.8 84 84 A T H < S+ 0 0 73 -4,-1.9 2,-0.3 27,-0.0 -2,-0.2 0.744 98.1 68.6-104.5 -23.2 21.6 32.8 46.3 85 85 A F < - 0 0 12 -4,-1.9 -77,-0.1 -5,-0.3 3,-0.1 -0.791 60.8-150.6 -98.2 146.2 22.2 31.8 42.7 86 86 A D S S+ 0 0 45 -79,-0.6 26,-2.3 -2,-0.3 2,-0.4 0.830 85.3 25.4 -74.1 -38.6 25.5 30.6 41.2 87 87 A Y E -bd 8 112A 49 -80,-1.4 -78,-2.7 24,-0.2 2,-0.5 -0.995 57.1-166.0-135.1 136.8 24.7 31.9 37.8 88 88 A I E -bd 9 113A 0 24,-3.4 26,-2.9 -2,-0.4 2,-0.6 -0.971 16.7-170.0-118.5 112.3 22.5 34.6 36.4 89 89 A L E -bd 10 114A 0 -80,-2.5 -78,-2.7 -2,-0.5 26,-0.2 -0.926 6.4-173.1-110.4 121.7 22.0 34.3 32.7 90 90 A C E -bd 11 115A 0 24,-2.3 26,-2.8 -2,-0.6 27,-0.5 -0.609 26.2-131.3-115.0 169.4 20.3 37.1 30.7 91 91 A M S S+ 0 0 0 -80,-1.3 36,-2.2 -2,-0.2 2,-0.3 0.876 76.7 8.3 -88.1 -40.6 19.1 37.6 27.3 92 92 A D S > S- 0 0 28 34,-0.2 4,-2.1 1,-0.1 5,-0.1 -0.829 75.4 -97.0-140.0 175.5 20.4 41.0 26.1 93 93 A E H > S+ 0 0 110 -2,-0.3 4,-3.5 1,-0.3 5,-0.3 0.870 118.0 57.6 -68.8 -31.9 22.8 43.8 27.0 94 94 A S H > S+ 0 0 54 1,-0.2 4,-2.6 2,-0.2 -1,-0.3 0.925 108.3 47.0 -59.7 -45.5 20.1 45.9 28.5 95 95 A N H > S+ 0 0 2 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.915 112.6 51.8 -61.1 -38.5 19.3 43.2 30.9 96 96 A L H X S+ 0 0 42 -4,-2.1 4,-2.1 2,-0.2 5,-0.2 0.953 108.9 46.6 -65.2 -44.6 22.9 42.8 31.6 97 97 A R H X S+ 0 0 151 -4,-3.5 4,-2.0 1,-0.2 -1,-0.2 0.938 113.4 53.0 -60.7 -42.2 23.5 46.5 32.3 98 98 A D H X S+ 0 0 34 -4,-2.6 4,-2.1 -5,-0.3 -2,-0.2 0.927 109.3 45.4 -59.6 -45.8 20.5 46.4 34.6 99 99 A L H X S+ 0 0 0 -4,-2.8 4,-2.5 1,-0.2 -1,-0.2 0.851 110.5 53.1 -67.5 -38.4 21.5 43.5 36.6 100 100 A N H X S+ 0 0 69 -4,-2.1 4,-1.0 -5,-0.2 -1,-0.2 0.894 108.2 52.6 -64.2 -35.0 25.1 44.7 37.1 101 101 A R H >< S+ 0 0 137 -4,-2.0 3,-0.7 -5,-0.2 4,-0.5 0.948 112.9 43.0 -62.3 -48.6 23.7 47.9 38.4 102 102 A K H >< S+ 0 0 43 -4,-2.1 3,-1.5 1,-0.2 -1,-0.2 0.857 105.3 61.9 -67.2 -35.9 21.5 46.2 40.9 103 103 A S H >< S+ 0 0 12 -4,-2.5 3,-1.5 1,-0.3 -1,-0.2 0.750 92.7 67.3 -65.3 -23.7 24.1 43.8 42.0 104 104 A N T << S+ 0 0 126 -4,-1.0 -1,-0.3 -3,-0.7 -2,-0.2 0.773 90.8 60.6 -62.3 -31.8 26.2 46.7 43.1 105 105 A Q T < S+ 0 0 131 -3,-1.5 2,-0.5 -4,-0.5 -1,-0.3 0.369 94.1 87.6 -74.4 1.2 23.6 47.4 45.8 106 106 A V X - 0 0 18 -3,-1.5 3,-0.5 1,-0.2 -26,-0.0 -0.932 60.8-168.4-109.7 121.9 24.6 43.9 46.9 107 107 A K T 3 S+ 0 0 192 -2,-0.5 2,-0.4 1,-0.2 -1,-0.2 0.941 87.9 32.5 -72.1 -55.4 27.6 43.6 49.2 108 108 A N T 3 S+ 0 0 103 2,-0.0 2,-0.3 0, 0.0 -1,-0.2 -0.461 79.1 171.1-105.5 54.1 28.2 39.9 49.0 109 109 A C < + 0 0 49 -3,-0.5 -26,-0.2 -2,-0.4 -27,-0.1 -0.469 5.1 167.4 -66.4 122.9 27.2 39.4 45.5 110 110 A R + 0 0 122 -28,-2.6 2,-0.2 -2,-0.3 -27,-0.2 0.534 38.0 104.4-118.3 -7.6 28.2 35.9 44.7 111 111 A A - 0 0 12 -29,-1.7 2,-0.5 -24,-0.1 -24,-0.2 -0.482 65.4-134.4 -75.8 145.8 26.3 35.3 41.4 112 112 A K E -d 87 0A 103 -26,-2.3 -24,-3.4 -2,-0.2 2,-0.6 -0.822 24.0-155.2 -93.2 128.8 28.2 35.3 38.1 113 113 A I E +d 88 0A 27 -2,-0.5 2,-0.3 -26,-0.2 -24,-0.2 -0.927 26.9 145.9-110.2 124.8 26.1 37.4 35.7 114 114 A E E -d 89 0A 28 -26,-2.9 -24,-2.3 -2,-0.6 2,-0.3 -0.956 51.1 -90.0-153.5 163.2 26.4 36.8 32.0 115 115 A L E > -d 90 0A 19 -2,-0.3 3,-1.0 -26,-0.2 -24,-0.2 -0.622 27.4-142.1 -72.7 137.4 24.7 36.7 28.7 116 116 A L G > S+ 0 0 0 -26,-2.8 3,-2.0 -2,-0.3 -1,-0.2 0.914 101.0 64.0 -64.0 -40.7 23.2 33.4 28.0 117 117 A G G > S+ 0 0 2 8,-0.6 3,-2.1 -27,-0.5 -1,-0.2 0.695 81.9 79.2 -58.1 -16.8 24.3 33.9 24.3 118 118 A S G < S+ 0 0 62 -3,-1.0 -1,-0.3 1,-0.3 -2,-0.2 0.638 91.3 53.0 -69.4 -7.6 27.9 33.9 25.4 119 119 A Y G < S+ 0 0 25 -3,-2.0 -1,-0.3 -4,-0.1 -2,-0.2 0.424 80.1 122.6-101.9 -2.8 27.6 30.2 25.5 120 120 A D X - 0 0 4 -3,-2.1 3,-2.4 1,-0.2 28,-0.1 -0.506 53.0-156.0 -67.6 117.6 26.3 29.9 21.9 121 121 A P T 3 S+ 0 0 83 0, 0.0 -1,-0.2 0, 0.0 27,-0.0 0.829 101.3 53.2 -60.7 -24.6 28.5 27.7 19.8 122 122 A Q T 3 S- 0 0 118 2,-0.1 3,-0.1 22,-0.1 -2,-0.1 0.439 109.7-130.2 -88.8 -2.1 27.0 29.8 16.9 123 123 A K < + 0 0 165 -3,-2.4 2,-1.5 1,-0.2 3,-0.1 0.634 52.5 150.5 70.0 14.2 28.0 33.0 18.6 124 124 A Q - 0 0 82 1,-0.2 -1,-0.2 20,-0.1 -5,-0.1 -0.669 24.7-172.8 -80.3 93.8 24.6 34.8 18.4 125 125 A L + 0 0 87 -2,-1.5 -8,-0.6 -3,-0.1 2,-0.5 0.784 56.7 62.0 -56.1 -41.9 25.2 36.8 21.4 126 126 A I - 0 0 40 -9,-0.1 2,-0.8 -3,-0.1 -34,-0.2 -0.855 62.1-154.3 -98.7 136.6 21.8 38.4 21.8 127 127 A I - 0 0 0 -36,-2.2 2,-0.1 -2,-0.5 -109,-0.1 -0.899 33.1-137.7-103.6 103.9 18.5 36.6 22.3 128 128 A E - 0 0 130 -2,-0.8 13,-0.0 1,-0.1 -36,-0.0 -0.384 16.2-103.6 -71.5 144.7 16.1 39.1 20.8 129 129 A D - 0 0 78 1,-0.2 3,-0.3 -2,-0.1 -1,-0.1 -0.413 31.8-170.4 -64.7 119.0 12.8 40.1 22.4 130 130 A P > + 0 0 4 0, 0.0 3,-2.2 0, 0.0 -1,-0.2 0.352 51.6 111.9 -96.9 5.3 10.1 38.3 20.4 131 131 A Y T 3 S+ 0 0 99 1,-0.3 7,-0.0 6,-0.1 -2,-0.0 0.894 85.6 36.8 -46.0 -49.1 7.1 40.0 21.9 132 132 A Y T 3 S+ 0 0 216 -3,-0.3 -1,-0.3 2,-0.0 -3,-0.0 0.353 110.1 84.5 -88.3 7.0 6.2 41.9 18.7 133 133 A G S < S- 0 0 27 -3,-2.2 2,-0.2 1,-0.1 -4,-0.0 -0.075 75.3-108.9 -94.0-165.0 7.2 39.1 16.5 134 134 A N >> - 0 0 96 -2,-0.0 4,-1.5 -76,-0.0 3,-0.9 -0.552 46.1 -73.8-116.1-171.7 5.4 35.9 15.4 135 135 A D H 3> S+ 0 0 104 1,-0.3 4,-2.1 2,-0.2 5,-0.2 0.846 125.7 57.4 -56.8 -33.6 5.6 32.3 16.0 136 136 A A H 3> S+ 0 0 60 1,-0.2 4,-2.2 2,-0.2 -1,-0.3 0.884 102.1 56.4 -69.9 -28.1 8.8 31.8 14.0 137 137 A D H <> S+ 0 0 64 -3,-0.9 4,-2.1 1,-0.2 -1,-0.2 0.905 106.3 49.4 -65.9 -38.2 10.5 34.3 16.2 138 138 A F H X S+ 0 0 1 -4,-1.5 4,-2.7 1,-0.2 -1,-0.2 0.933 107.9 55.2 -65.4 -39.1 9.6 32.3 19.2 139 139 A E H X S+ 0 0 54 -4,-2.1 4,-2.9 1,-0.2 -1,-0.2 0.888 106.0 50.7 -62.3 -37.7 10.9 29.2 17.6 140 140 A T H X S+ 0 0 70 -4,-2.2 4,-2.9 1,-0.2 -1,-0.2 0.943 108.6 51.9 -70.0 -34.9 14.3 30.9 17.0 141 141 A V H X S+ 0 0 3 -4,-2.1 4,-2.8 2,-0.2 5,-0.2 0.957 109.8 50.1 -61.8 -43.1 14.5 31.9 20.6 142 142 A Y H X S+ 0 0 30 -4,-2.7 4,-2.9 1,-0.2 -2,-0.2 0.967 110.3 50.7 -59.3 -46.4 13.8 28.3 21.5 143 143 A Q H X S+ 0 0 73 -4,-2.9 4,-2.2 1,-0.2 5,-0.2 0.944 111.5 46.8 -58.1 -45.6 16.5 27.2 19.1 144 144 A Q H X S+ 0 0 10 -4,-2.9 4,-2.9 1,-0.2 5,-0.3 0.933 110.6 52.2 -63.7 -42.2 19.0 29.6 20.6 145 145 A C H X S+ 0 0 0 -4,-2.8 4,-3.5 -5,-0.2 5,-0.3 0.915 106.6 53.9 -62.0 -41.4 18.2 28.6 24.1 146 146 A V H X S+ 0 0 17 -4,-2.9 4,-2.7 -5,-0.2 5,-0.3 0.979 112.2 44.1 -56.2 -49.2 18.7 25.0 23.4 147 147 A R H X S+ 0 0 50 -4,-2.2 4,-2.0 1,-0.2 -1,-0.2 0.936 117.7 43.5 -57.9 -52.7 22.1 25.6 22.0 148 148 A C H X S+ 0 0 0 -4,-2.9 4,-2.3 -5,-0.2 -1,-0.2 0.871 113.7 50.1 -62.8 -42.8 23.2 27.9 24.8 149 149 A C H X S+ 0 0 0 -4,-3.5 4,-2.1 -5,-0.3 -2,-0.2 0.898 109.6 49.5 -68.7 -35.6 21.8 25.9 27.5 150 150 A R H X S+ 0 0 133 -4,-2.7 4,-2.2 -5,-0.3 -2,-0.2 0.931 113.6 48.0 -65.1 -39.1 23.4 22.6 26.4 151 151 A A H X S+ 0 0 33 -4,-2.0 4,-1.8 -5,-0.3 -2,-0.2 0.907 111.0 49.1 -67.3 -42.2 26.7 24.4 26.1 152 152 A F H X S+ 0 0 0 -4,-2.3 4,-1.6 1,-0.2 5,-0.3 0.920 111.6 50.3 -58.6 -47.0 26.5 26.1 29.5 153 153 A L H X S+ 0 0 0 -4,-2.1 4,-2.8 1,-0.2 3,-0.2 0.921 104.9 56.5 -61.3 -40.6 25.6 22.8 31.1 154 154 A E H < S+ 0 0 98 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.908 111.6 43.8 -62.9 -36.8 28.4 20.9 29.6 155 155 A K H < S+ 0 0 139 -4,-1.8 -1,-0.2 -5,-0.2 -2,-0.2 0.773 123.9 31.2 -82.7 -18.5 30.9 23.4 31.1 156 156 A V H < 0 0 13 -4,-1.6 -2,-0.2 -3,-0.2 -1,-0.2 0.604 360.0 360.0-110.1 -14.1 29.4 23.6 34.6 157 157 A R < 0 0 132 -4,-2.8 -4,-0.0 -5,-0.3 -3,-0.0 -0.271 360.0 360.0 -43.6 360.0 28.0 20.1 34.9