==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=2-OCT-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE/HYDROLASE INHIBITOR 25-APR-11 3RO1 . COMPND 2 MOLECULE: PROTEIN TYROSINE PHOSPHATASE; . SOURCE 2 ORGANISM_SCIENTIFIC: SULFOLOBUS SOLFATARICUS; . AUTHOR Y.-C.LO,A.H.-J.WANG . 159 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 7832.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 118 74.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 15 9.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 5 3.1 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.6 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 . 4 2.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 15 9.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 72 45.3 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 0 0 0 0 2 0 2 1 1 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 3 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 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 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 M 0 0 81 0, 0.0 2,-0.3 0, 0.0 11,-0.2 0.000 360.0 360.0 360.0 159.5 -12.7 17.0 5.2 2 2 A Y E -A 11 0A 28 9,-2.5 9,-2.4 128,-0.0 2,-0.4 -0.960 360.0-129.8-135.2 148.8 -16.3 18.2 6.1 3 3 A W E -A 10 0A 20 -2,-0.3 7,-0.3 7,-0.3 3,-0.2 -0.821 14.5-176.2 -98.4 140.3 -19.7 17.9 4.6 4 4 A V E S+ 0 0 13 5,-3.1 2,-0.4 1,-0.5 6,-0.2 0.725 94.4 18.1 -96.5 -36.5 -21.9 21.0 4.2 5 5 A R E >> S-A 9 0A 54 4,-2.1 3,-2.4 0, 0.0 4,-2.1 -0.971 112.9 -95.9-132.9 117.0 -24.7 18.8 2.9 6 6 A R T 34 S- 0 0 183 -2,-0.4 4,-0.1 1,-0.3 85,-0.1 -0.028 94.9 -21.1 -47.1 111.3 -24.1 15.2 3.8 7 7 A K T 34 S+ 0 0 76 1,-0.1 84,-3.4 2,-0.1 -1,-0.3 0.462 127.2 78.8 66.6 3.4 -22.5 13.3 1.0 8 8 A T T <4 S- 0 0 29 -3,-2.4 84,-2.0 1,-0.3 2,-0.4 0.797 106.5 -0.9-102.0 -44.3 -23.6 15.9 -1.6 9 9 A I E < S+Ab 5 92A 1 -4,-2.1 -5,-3.1 82,-0.2 -4,-2.1 -0.966 70.3 148.5-150.0 131.6 -21.1 18.6 -1.1 10 10 A G E -Ab 3 93A 0 82,-2.2 84,-2.1 -2,-0.4 2,-0.3 -0.876 27.1-127.7-144.2-176.3 -18.2 19.2 1.3 11 11 A G E +Ab 2 94A 0 -9,-2.4 -9,-2.5 -2,-0.3 2,-0.3 -0.853 22.3 160.6-135.2 171.8 -14.8 20.8 1.6 12 12 A S E - b 0 95A 13 82,-1.3 84,-1.3 -2,-0.3 87,-0.4 -0.972 33.2-105.3-172.9 174.3 -11.3 20.1 2.6 13 13 A G - 0 0 17 85,-0.3 85,-0.3 -2,-0.3 84,-0.2 -0.308 61.4 -58.9-100.4-170.3 -7.7 21.3 2.2 14 14 A L - 0 0 13 83,-2.2 -1,-0.1 -2,-0.1 2,-0.1 -0.542 54.9-124.4 -73.6 122.6 -4.9 19.9 0.0 15 15 A P - 0 0 2 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.459 12.6-156.4 -70.9 147.6 -4.1 16.2 0.8 16 16 A Y S S+ 0 0 176 -2,-0.1 2,-0.3 1,-0.1 -2,-0.0 0.742 72.2 17.5 -88.2 -29.7 -0.5 15.5 1.6 17 17 A T S > S- 0 0 59 1,-0.1 4,-0.8 28,-0.0 3,-0.5 -0.828 79.4-105.0-138.3 175.6 -0.5 11.8 0.7 18 18 A E H > S+ 0 0 61 -2,-0.3 4,-1.9 1,-0.2 3,-0.2 0.808 114.7 65.7 -76.0 -26.2 -2.4 9.3 -1.3 19 19 A N H > S+ 0 0 113 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.823 98.6 53.6 -62.5 -31.6 -3.8 7.8 1.9 20 20 A E H > S+ 0 0 52 -3,-0.5 4,-1.4 2,-0.2 -1,-0.2 0.840 106.4 52.3 -74.4 -28.1 -5.6 11.0 2.6 21 21 A I H X S+ 0 0 0 -4,-0.8 4,-2.0 -3,-0.2 -2,-0.2 0.849 107.7 50.6 -73.0 -35.5 -7.2 10.8 -0.9 22 22 A L H X S+ 0 0 73 -4,-1.9 4,-2.6 2,-0.2 -1,-0.2 0.869 104.3 59.1 -69.6 -32.8 -8.4 7.2 -0.1 23 23 A E H X S+ 0 0 121 -4,-1.6 4,-1.7 1,-0.2 -2,-0.2 0.906 104.4 51.8 -59.1 -39.6 -9.9 8.7 3.2 24 24 A W H X>S+ 0 0 11 -4,-1.4 5,-2.3 2,-0.2 4,-0.7 0.945 108.6 49.5 -62.6 -44.5 -11.9 10.9 0.9 25 25 A R H ><5S+ 0 0 127 -4,-2.0 3,-1.4 1,-0.2 -2,-0.2 0.944 109.6 51.2 -61.1 -42.9 -13.2 7.9 -1.1 26 26 A K H 3<5S+ 0 0 191 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.823 106.3 55.3 -61.1 -33.3 -14.1 6.1 2.0 27 27 A E H 3<5S- 0 0 64 -4,-1.7 -1,-0.3 -3,-0.2 -2,-0.2 0.581 128.5 -95.4 -75.8 -12.2 -16.1 9.1 3.2 28 28 A G T <<5 + 0 0 20 -3,-1.4 2,-0.3 -4,-0.7 -3,-0.2 0.535 69.7 153.1 109.8 7.7 -18.1 9.1 -0.0 29 29 A V < + 0 0 6 -5,-2.3 -1,-0.3 -6,-0.2 63,-0.2 -0.555 6.9 162.1 -71.2 135.2 -16.3 11.6 -2.3 30 30 A K + 0 0 105 61,-2.9 31,-1.3 1,-0.4 2,-0.3 0.586 62.4 30.2-123.3 -25.7 -16.7 10.9 -6.0 31 31 A R E -cd 61 92A 11 60,-2.1 62,-2.7 29,-0.2 2,-0.4 -0.991 66.6-151.9-141.0 143.9 -15.8 14.1 -7.8 32 32 A V E -cd 62 93A 0 29,-2.6 31,-2.0 -2,-0.3 2,-0.7 -0.973 7.7-156.7-128.4 129.6 -13.2 16.8 -6.8 33 33 A L E -cd 63 94A 0 60,-2.9 62,-2.5 -2,-0.4 2,-0.8 -0.860 21.2-153.4-100.7 112.3 -13.2 20.5 -7.7 34 34 A V E +cd 64 95A 0 29,-3.5 31,-2.6 -2,-0.7 62,-0.2 -0.819 20.3 172.4 -97.1 115.3 -9.5 21.6 -7.3 35 35 A L + 0 0 0 60,-2.8 32,-2.8 -2,-0.8 61,-0.2 0.636 38.8 98.9 -98.8 -19.3 -9.1 25.2 -6.5 36 36 A P S S- 0 0 0 0, 0.0 2,-0.1 0, 0.0 29,-0.1 -0.289 74.9-106.5 -71.4 163.2 -5.5 26.0 -5.7 37 37 A E >> - 0 0 61 30,-0.3 4,-2.0 29,-0.1 3,-0.7 -0.394 39.6 -98.9 -75.4 162.8 -3.1 27.5 -8.2 38 38 A D H 3> S+ 0 0 69 1,-0.2 4,-3.1 2,-0.2 5,-0.2 0.895 122.6 52.7 -47.4 -51.1 -0.4 25.2 -9.8 39 39 A W H 3> S+ 0 0 137 1,-0.2 4,-1.1 2,-0.2 -1,-0.2 0.814 108.4 50.7 -59.9 -33.5 2.4 26.3 -7.4 40 40 A E H <> S+ 0 0 10 -3,-0.7 4,-0.6 2,-0.2 3,-0.4 0.928 112.7 46.0 -67.1 -46.2 0.2 25.6 -4.3 41 41 A I H >X S+ 0 0 0 -4,-2.0 4,-2.2 1,-0.2 3,-1.5 0.930 110.3 56.1 -62.2 -43.8 -0.5 22.1 -5.6 42 42 A E H 3X S+ 0 0 66 -4,-3.1 4,-2.1 1,-0.3 -1,-0.2 0.768 89.2 71.7 -65.5 -22.2 3.1 21.7 -6.4 43 43 A E H 3< S+ 0 0 155 -4,-1.1 -1,-0.3 -3,-0.4 -2,-0.2 0.829 117.5 22.9 -60.3 -30.0 4.3 22.4 -2.9 44 44 A S H << S+ 0 0 44 -3,-1.5 -2,-0.2 -4,-0.6 -1,-0.2 0.701 137.4 29.1-107.0 -22.3 2.8 19.0 -2.0 45 45 A W H < S- 0 0 32 -4,-2.2 2,-2.3 -5,-0.1 -3,-0.2 0.332 84.9-136.7-123.6 2.4 2.7 17.1 -5.3 46 46 A G S < S+ 0 0 59 -4,-2.1 2,-0.4 -5,-0.3 -4,-0.2 -0.112 86.3 41.2 71.5 -43.3 5.6 18.5 -7.3 47 47 A D > - 0 0 71 -2,-2.3 4,-2.1 -6,-0.2 5,-0.2 -0.988 70.0-144.5-138.0 131.9 3.6 18.6 -10.5 48 48 A K H > S+ 0 0 41 -2,-0.4 4,-2.5 1,-0.2 5,-0.2 0.924 102.6 49.6 -64.7 -41.7 -0.0 19.7 -10.9 49 49 A D H > S+ 0 0 91 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.876 108.4 53.6 -66.5 -31.1 -0.8 17.2 -13.7 50 50 A Y H > S+ 0 0 130 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.925 107.5 50.9 -66.5 -42.0 0.6 14.4 -11.6 51 51 A Y H X S+ 0 0 0 -4,-2.1 4,-2.1 1,-0.2 -2,-0.2 0.974 112.4 46.9 -59.6 -47.6 -1.6 15.4 -8.7 52 52 A L H X S+ 0 0 22 -4,-2.5 4,-2.5 1,-0.2 -1,-0.2 0.851 109.9 52.5 -63.4 -34.1 -4.6 15.3 -11.0 53 53 A S H X S+ 0 0 55 -4,-2.2 4,-2.9 1,-0.2 -1,-0.2 0.876 107.4 53.6 -70.2 -34.7 -3.6 12.0 -12.5 54 54 A I H X S+ 0 0 3 -4,-2.5 4,-1.0 2,-0.2 -2,-0.2 0.937 109.3 47.3 -63.4 -41.8 -3.4 10.6 -8.9 55 55 A L H ><>S+ 0 0 0 -4,-2.1 5,-2.2 1,-0.2 3,-0.8 0.958 114.4 48.4 -59.7 -47.2 -7.0 11.8 -8.3 56 56 A K H ><5S+ 0 0 134 -4,-2.5 3,-1.9 1,-0.3 -2,-0.2 0.926 107.1 53.5 -60.6 -44.1 -8.0 10.2 -11.5 57 57 A K H 3<5S+ 0 0 148 -4,-2.9 -1,-0.3 1,-0.3 -2,-0.2 0.723 106.0 58.6 -65.5 -17.0 -6.2 6.9 -10.8 58 58 A N T <<5S- 0 0 8 -4,-1.0 -1,-0.3 -3,-0.8 -2,-0.2 0.214 122.8-100.1-100.0 15.4 -8.2 6.9 -7.5 59 59 A G T < 5S+ 0 0 43 -3,-1.9 2,-0.5 1,-0.3 -3,-0.2 0.576 85.2 123.5 81.6 9.7 -11.7 6.9 -9.0 60 60 A L < - 0 0 3 -5,-2.2 -1,-0.3 -6,-0.2 -29,-0.2 -0.875 55.7-143.3-104.8 134.3 -12.2 10.6 -8.5 61 61 A Q E -c 31 0A 98 -31,-1.3 -29,-2.6 -2,-0.5 2,-0.3 -0.883 26.3-157.8 -95.1 119.3 -13.0 12.8 -11.5 62 62 A P E -c 32 0A 24 0, 0.0 2,-0.4 0, 0.0 -29,-0.2 -0.711 18.2-167.7-101.0 153.5 -11.2 16.1 -11.0 63 63 A L E -c 33 0A 46 -31,-2.0 -29,-3.5 -2,-0.3 2,-0.6 -0.987 15.0-150.6-134.1 121.5 -11.8 19.6 -12.4 64 64 A H E +c 34 0A 41 -2,-0.4 -29,-0.2 -31,-0.2 -31,-0.1 -0.867 25.3 163.0-100.0 116.5 -9.1 22.2 -11.9 65 65 A I - 0 0 11 -31,-2.6 2,-0.2 -2,-0.6 -28,-0.1 -0.824 30.0-147.3-132.5 89.2 -10.3 25.8 -11.7 66 66 A P - 0 0 48 0, 0.0 -29,-0.1 0, 0.0 -31,-0.1 -0.396 18.2-177.8 -64.3 126.6 -7.4 27.8 -10.0 67 67 A I - 0 0 1 -32,-2.8 -30,-0.3 -2,-0.2 3,-0.1 -0.988 30.0-113.4-123.9 132.2 -8.4 30.7 -7.9 68 68 A P > - 0 0 64 0, 0.0 3,-2.9 0, 0.0 -33,-0.0 -0.345 44.4 -88.5 -66.9 149.6 -5.8 32.9 -6.2 69 69 A D T 3 S+ 0 0 114 1,-0.3 3,-0.1 32,-0.0 27,-0.0 -0.238 116.6 14.2 -54.4 130.6 -5.5 32.7 -2.5 70 70 A G T 3 S+ 0 0 19 1,-0.3 69,-0.3 -3,-0.1 -1,-0.3 0.234 114.2 101.8 86.6 -13.8 -7.9 35.3 -0.9 71 71 A G < - 0 0 6 -3,-2.9 -1,-0.3 67,-0.1 65,-0.1 -0.024 62.6-128.6 -94.3-167.0 -9.7 35.7 -4.3 72 72 A V - 0 0 27 -3,-0.1 30,-0.1 33,-0.0 -1,-0.1 -0.921 35.5 -85.1-138.6 162.2 -12.8 34.6 -6.0 73 73 A P - 0 0 4 0, 0.0 2,-0.1 0, 0.0 -6,-0.1 -0.356 43.6-113.3 -69.0 151.6 -13.6 32.9 -9.3 74 74 A S > - 0 0 57 1,-0.1 4,-2.4 4,-0.0 5,-0.3 -0.405 38.6-101.6 -69.7 166.1 -14.0 35.1 -12.4 75 75 A D H > S+ 0 0 68 1,-0.2 4,-2.0 2,-0.2 5,-0.2 0.914 126.0 53.2 -58.7 -38.1 -17.6 35.0 -13.7 76 76 A S H > S+ 0 0 86 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.947 109.7 45.6 -60.4 -52.0 -16.4 32.7 -16.4 77 77 A Q H > S+ 0 0 46 1,-0.2 4,-2.8 2,-0.2 -1,-0.2 0.829 110.0 56.8 -58.7 -33.8 -14.9 30.2 -13.9 78 78 A F H X S+ 0 0 0 -4,-2.4 4,-2.8 2,-0.2 5,-0.3 0.905 104.6 50.3 -67.7 -38.9 -18.0 30.5 -11.7 79 79 A L H X S+ 0 0 64 -4,-2.0 4,-2.6 -5,-0.3 -1,-0.2 0.937 112.7 46.7 -63.5 -44.8 -20.2 29.4 -14.4 80 80 A T H X S+ 0 0 66 -4,-1.8 4,-2.7 2,-0.2 -2,-0.2 0.922 112.7 50.4 -62.5 -46.5 -17.9 26.4 -15.1 81 81 A I H X S+ 0 0 0 -4,-2.8 4,-3.2 2,-0.2 5,-0.2 0.945 114.3 43.0 -56.8 -49.3 -17.7 25.5 -11.4 82 82 A M H X S+ 0 0 0 -4,-2.8 4,-2.4 2,-0.2 -2,-0.2 0.893 112.0 52.7 -71.3 -35.5 -21.6 25.6 -10.9 83 83 A K H X S+ 0 0 139 -4,-2.6 4,-0.9 -5,-0.3 -1,-0.2 0.959 114.3 45.6 -61.6 -42.0 -22.2 23.7 -14.2 84 84 A W H >X S+ 0 0 41 -4,-2.7 3,-0.7 1,-0.2 4,-0.6 0.945 114.9 44.8 -65.1 -49.5 -19.7 21.1 -12.8 85 85 A L H >< S+ 0 0 0 -4,-3.2 3,-0.5 1,-0.2 -1,-0.2 0.851 115.1 47.8 -64.9 -34.6 -21.2 20.9 -9.3 86 86 A L H 3< S+ 0 0 38 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.587 94.6 78.2 -83.8 -8.4 -24.8 20.8 -10.5 87 87 A S H << S+ 0 0 56 -4,-0.9 2,-0.3 -3,-0.7 -1,-0.2 0.800 108.7 17.3 -70.3 -29.8 -24.0 18.1 -13.0 88 88 A E << - 0 0 111 -4,-0.6 -1,-0.2 -3,-0.5 4,-0.1 -0.947 68.4-155.1-144.5 120.8 -24.0 15.3 -10.4 89 89 A K + 0 0 115 -2,-0.3 3,-0.5 -3,-0.2 2,-0.3 0.862 66.5 74.8 -69.7 -34.4 -25.5 15.8 -7.0 90 90 A E S S+ 0 0 132 1,-0.2 -82,-0.3 -61,-0.0 -60,-0.1 -0.557 93.6 4.9 -97.0 146.2 -23.6 13.2 -5.0 91 91 A G S S+ 0 0 1 -84,-3.4 -61,-2.9 -2,-0.3 -60,-2.1 0.744 70.8 165.0 71.4 28.9 -20.1 13.1 -3.6 92 92 A N E -bd 9 31A 0 -84,-2.0 -82,-2.2 -3,-0.5 2,-0.4 -0.662 12.9-174.6 -82.0 125.4 -18.8 16.5 -4.5 93 93 A L E -bd 10 32A 1 -62,-2.7 -60,-2.9 -2,-0.5 2,-0.4 -0.945 4.9-168.2-115.9 133.9 -15.6 17.7 -2.7 94 94 A V E +bd 11 33A 0 -84,-2.1 -82,-1.3 -2,-0.4 2,-0.3 -0.983 17.2 175.1-113.0 135.0 -14.3 21.2 -3.2 95 95 A H E +bd 12 34A 0 -62,-2.5 -60,-2.8 -2,-0.4 -82,-0.2 -0.989 20.9 166.0-143.5 155.5 -10.7 21.9 -1.9 96 96 A C - 0 0 4 -84,-1.3 -27,-0.0 -2,-0.3 -61,-0.0 -0.244 63.6 -66.1-132.7-138.1 -8.1 24.6 -1.8 97 97 A V S S+ 0 0 64 -84,-0.2 -83,-2.2 -2,-0.1 -84,-0.0 0.950 126.5 13.6 -86.7 -53.0 -4.9 24.6 0.5 98 98 A G S S- 0 0 51 -85,-0.3 -85,-0.3 -86,-0.1 -1,-0.1 0.527 98.4-117.0 -97.9 -8.0 -6.4 24.9 4.0 99 99 A G S S+ 0 0 2 -87,-0.4 -86,-0.1 -98,-0.0 -5,-0.1 0.475 88.5 82.9 88.2 3.4 -10.1 24.2 3.4 100 100 A I S > S+ 0 0 43 3,-0.1 34,-1.7 33,-0.1 4,-1.0 0.933 80.6 29.4-110.2 -57.6 -11.3 27.6 4.5 101 101 A G H > S+ 0 0 4 32,-0.2 4,-2.3 33,-0.2 33,-0.2 0.996 125.3 25.1 -74.4 -71.1 -11.4 30.7 2.3 102 102 A R H > S+ 0 0 5 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.919 127.6 49.2 -58.9 -43.7 -11.8 29.9 -1.4 103 103 A T H > S+ 0 0 0 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.919 110.8 48.3 -64.2 -46.5 -13.5 26.6 -0.5 104 104 A G H X S+ 0 0 0 -4,-1.0 4,-2.6 1,-0.2 5,-0.2 0.887 109.7 54.7 -65.1 -32.1 -15.9 28.2 1.9 105 105 A T H X S+ 0 0 1 -4,-2.3 4,-2.3 2,-0.2 -1,-0.2 0.944 110.2 44.5 -62.8 -48.1 -16.7 30.8 -0.7 106 106 A I H X S+ 0 0 0 -4,-2.2 4,-2.1 1,-0.2 -2,-0.2 0.917 113.6 51.1 -66.7 -40.0 -17.6 28.3 -3.3 107 107 A L H X S+ 0 0 1 -4,-2.6 4,-2.0 1,-0.2 -1,-0.2 0.945 111.1 46.4 -62.5 -42.9 -19.6 26.2 -0.9 108 108 A A H X S+ 0 0 0 -4,-2.6 4,-2.1 1,-0.2 -1,-0.2 0.887 110.2 55.2 -66.8 -36.4 -21.6 29.1 0.3 109 109 A S H X S+ 0 0 0 -4,-2.3 4,-2.3 -5,-0.2 -1,-0.2 0.904 105.6 52.8 -58.1 -41.5 -22.2 30.1 -3.3 110 110 A Y H X S+ 0 0 1 -4,-2.1 4,-3.1 1,-0.2 5,-0.3 0.917 109.3 48.3 -60.1 -46.1 -23.6 26.7 -4.0 111 111 A L H X S+ 0 0 0 -4,-2.0 4,-2.5 1,-0.2 6,-1.1 0.875 108.8 53.5 -64.2 -40.4 -26.1 27.0 -1.2 112 112 A I H X S+ 0 0 0 -4,-2.1 4,-1.2 4,-0.2 -1,-0.2 0.939 115.4 40.4 -60.8 -46.1 -27.2 30.4 -2.3 113 113 A L H < S+ 0 0 1 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.956 123.6 36.1 -70.4 -48.5 -27.9 29.1 -5.8 114 114 A T H < S+ 0 0 47 -4,-3.1 -3,-0.2 -5,-0.2 -2,-0.2 0.747 131.2 26.0 -78.0 -26.5 -29.5 25.8 -4.9 115 115 A E H < S- 0 0 87 -4,-2.5 -3,-0.2 -5,-0.3 -1,-0.2 0.476 96.3-123.6-115.8 -3.0 -31.4 26.7 -1.7 116 116 A G < + 0 0 40 -4,-1.2 -4,-0.2 -5,-0.5 -3,-0.1 0.745 49.6 170.5 65.5 26.4 -32.0 30.4 -2.2 117 117 A L - 0 0 32 -6,-1.1 -1,-0.2 -9,-0.1 2,-0.1 -0.356 38.1-112.2 -69.4 147.5 -30.3 31.2 1.1 118 118 A E >> - 0 0 107 1,-0.1 4,-2.3 -2,-0.1 3,-0.7 -0.443 36.3-105.6 -71.6 157.2 -29.6 34.8 1.9 119 119 A V H 3> S+ 0 0 20 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.863 119.0 51.6 -55.2 -37.9 -25.8 35.5 1.9 120 120 A E H 3> S+ 0 0 88 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.860 110.9 48.5 -71.2 -30.4 -25.5 35.7 5.8 121 121 A S H <> S+ 0 0 46 -3,-0.7 4,-2.5 2,-0.2 -1,-0.2 0.882 110.9 50.3 -73.4 -42.2 -27.3 32.4 6.1 122 122 A A H X S+ 0 0 0 -4,-2.3 4,-1.7 2,-0.2 5,-0.2 0.934 112.0 46.6 -59.4 -49.6 -25.1 30.7 3.6 123 123 A I H X S+ 0 0 16 -4,-2.3 4,-2.7 -5,-0.2 -2,-0.2 0.936 112.6 50.8 -59.3 -43.9 -21.9 32.0 5.2 124 124 A D H X S+ 0 0 88 -4,-2.0 4,-1.8 1,-0.2 -2,-0.2 0.910 107.3 53.7 -59.4 -44.5 -23.2 30.9 8.7 125 125 A E H X S+ 0 0 64 -4,-2.5 4,-0.6 1,-0.2 -1,-0.2 0.872 112.3 43.1 -60.0 -40.4 -24.0 27.4 7.4 126 126 A V H >X S+ 0 0 0 -4,-1.7 4,-2.0 1,-0.2 3,-1.2 0.906 111.3 54.6 -73.5 -41.1 -20.6 26.8 6.1 127 127 A R H 3< S+ 0 0 89 -4,-2.7 -2,-0.2 1,-0.3 -1,-0.2 0.790 99.1 63.9 -62.0 -27.9 -18.9 28.4 9.2 128 128 A L H 3< S+ 0 0 150 -4,-1.8 -1,-0.3 1,-0.2 -2,-0.2 0.767 116.6 27.7 -65.8 -30.9 -20.8 25.9 11.4 129 129 A V H << S+ 0 0 61 -3,-1.2 -2,-0.2 -4,-0.6 -1,-0.2 0.566 135.5 31.7-103.0 -15.5 -19.0 23.0 9.8 130 130 A R S >< S- 0 0 77 -4,-2.0 3,-2.2 -5,-0.1 -1,-0.2 -0.705 83.8-141.4-145.1 86.6 -15.8 24.9 8.8 131 131 A P T 3 S+ 0 0 85 0, 0.0 -3,-0.1 0, 0.0 -4,-0.1 -0.146 86.5 20.6 -50.8 141.8 -14.9 27.6 11.2 132 132 A G T 3 S+ 0 0 35 1,-0.2 -5,-0.1 2,-0.1 -28,-0.1 0.410 82.7 164.2 81.6 -5.3 -13.5 30.7 9.5 133 133 A A < + 0 0 0 -3,-2.2 -32,-0.2 -7,-0.1 -1,-0.2 -0.127 58.4 32.1 -46.0 140.6 -15.0 29.8 6.1 134 134 A V S S- 0 0 1 -34,-1.7 -33,-0.2 -33,-0.2 -32,-0.1 0.913 72.8-174.8 67.2 95.2 -15.0 32.8 3.7 135 135 A Q + 0 0 106 5,-0.0 2,-0.2 2,-0.0 -34,-0.1 0.829 46.8 52.4 -92.5 -37.9 -12.0 34.8 4.7 136 136 A T S > S- 0 0 42 -65,-0.1 4,-2.4 -66,-0.1 5,-0.2 -0.665 71.5-121.4-114.0 163.7 -11.8 38.0 2.7 137 137 A Y H > S+ 0 0 185 -2,-0.2 4,-2.7 2,-0.2 5,-0.2 0.865 115.6 56.5 -60.6 -39.7 -13.9 41.1 1.9 138 138 A E H > S+ 0 0 100 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.928 109.5 47.1 -59.7 -41.1 -13.5 40.3 -1.8 139 139 A Q H > S+ 0 0 0 -69,-0.3 4,-2.0 1,-0.2 -2,-0.2 0.927 112.0 48.4 -65.6 -44.6 -15.1 36.9 -1.0 140 140 A E H X S+ 0 0 75 -4,-2.4 4,-1.9 1,-0.2 -2,-0.2 0.894 112.2 49.7 -61.8 -40.4 -17.9 38.3 1.1 141 141 A M H X S+ 0 0 121 -4,-2.7 4,-1.9 1,-0.2 -1,-0.2 0.879 107.6 54.7 -65.4 -41.7 -18.7 40.9 -1.7 142 142 A F H X S+ 0 0 12 -4,-2.1 4,-2.1 -5,-0.2 -1,-0.2 0.902 106.5 50.8 -56.5 -47.0 -18.7 38.1 -4.3 143 143 A L H X S+ 0 0 0 -4,-2.0 4,-2.5 2,-0.2 -2,-0.2 0.881 107.2 52.7 -62.0 -41.9 -21.4 36.1 -2.3 144 144 A L H X S+ 0 0 104 -4,-1.9 4,-2.6 1,-0.2 -1,-0.2 0.922 110.7 49.4 -60.3 -40.7 -23.7 39.1 -1.9 145 145 A R H X S+ 0 0 99 -4,-1.9 4,-2.7 2,-0.2 -2,-0.2 0.892 106.8 54.4 -63.0 -36.5 -23.4 39.4 -5.7 146 146 A V H < S+ 0 0 0 -4,-2.1 4,-0.3 2,-0.2 -2,-0.2 0.960 111.5 45.6 -62.8 -43.2 -24.2 35.7 -6.2 147 147 A E H >< S+ 0 0 58 -4,-2.5 3,-1.3 1,-0.2 4,-0.3 0.947 113.6 49.1 -63.2 -46.6 -27.4 36.3 -4.1 148 148 A G H 3< S+ 0 0 70 -4,-2.6 3,-0.2 1,-0.3 -1,-0.2 0.836 120.3 36.2 -61.3 -33.4 -28.3 39.4 -6.1 149 149 A M T >X S+ 0 0 57 -4,-2.7 4,-2.9 1,-0.2 3,-0.6 0.179 79.8 124.2-106.5 13.7 -27.7 37.7 -9.4 150 150 A R H <> S+ 0 0 65 -3,-1.3 4,-2.3 -4,-0.3 5,-0.2 0.847 75.3 45.1 -43.8 -50.5 -29.1 34.3 -8.4 151 151 A K H 3> S+ 0 0 165 -4,-0.3 4,-2.0 -3,-0.2 -1,-0.2 0.865 112.9 50.8 -68.2 -34.2 -31.7 34.1 -11.2 152 152 A S H <> S+ 0 0 50 -3,-0.6 4,-2.3 2,-0.2 -1,-0.2 0.878 110.6 49.6 -72.1 -36.5 -29.3 35.3 -13.9 153 153 A W H X S+ 0 0 11 -4,-2.9 4,-2.6 -7,-0.2 -2,-0.2 0.946 111.4 48.2 -65.1 -43.3 -26.8 32.7 -12.8 154 154 A L H X S+ 0 0 39 -4,-2.3 4,-1.6 -5,-0.3 -2,-0.2 0.914 111.0 51.4 -64.0 -37.7 -29.3 29.9 -12.9 155 155 A K H < S+ 0 0 153 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.921 113.8 43.4 -65.8 -40.7 -30.5 31.0 -16.3 156 156 A N H >< S+ 0 0 67 -4,-2.3 3,-0.8 1,-0.2 -1,-0.2 0.824 109.6 57.5 -75.3 -28.2 -26.9 31.0 -17.7 157 157 A I H 3< S+ 0 0 16 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.836 112.8 40.0 -67.8 -33.2 -26.1 27.7 -16.0 158 158 A Y T 3< 0 0 155 -4,-1.6 -1,-0.2 -5,-0.2 -2,-0.2 0.109 360.0 360.0-106.6 19.0 -28.9 25.9 -17.8 159 159 A S < 0 0 146 -3,-0.8 -3,-0.0 -4,-0.1 -4,-0.0 -0.584 360.0 360.0 -73.8 360.0 -28.8 27.3 -21.3