==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE/HYDROLASE INHIBITOR 17-DEC-95 1FJM . COMPND 2 MOLECULE: PROTEIN SERINE/THREONINE PHOSPHATASE-1 (ALPHA ISO . SOURCE 2 ORGANISM_SCIENTIFIC: ORYCTOLAGUS CUNICULUS; . AUTHOR J.GOLDBERG,A.C.NAIRN,J.KURIYAN . 595 11 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 23685.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 401 67.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 52 8.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 52 8.7 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 4 0.7 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 . 39 6.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 48 8.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 168 28.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 0.7 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 2 3 2 0 2 6 0 0 2 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 2 8 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 0 2 6 0 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 ANTIPARALLEL BRIDGES PER LADDER . 0 2 0 2 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 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 7 A L 0 0 112 0, 0.0 2,-1.9 0, 0.0 3,-0.2 0.000 360.0 360.0 360.0 113.4 105.8 0.6 46.5 2 8 A N > + 0 0 103 1,-0.2 4,-2.1 2,-0.1 3,-0.3 -0.540 360.0 168.2 -84.3 78.4 102.7 -1.4 47.5 3 9 A L H > S+ 0 0 20 -2,-1.9 4,-2.9 1,-0.2 -1,-0.2 0.885 72.0 52.2 -55.5 -49.1 101.0 -1.3 44.1 4 10 A D H > S+ 0 0 94 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.836 109.2 50.1 -61.8 -34.0 98.3 -3.8 45.0 5 11 A S H > S+ 0 0 45 -3,-0.3 4,-2.3 2,-0.2 -1,-0.2 0.933 111.4 49.0 -69.1 -46.3 97.3 -1.9 48.1 6 12 A I H X S+ 0 0 0 -4,-2.1 4,-2.5 1,-0.2 -2,-0.2 0.957 113.2 47.1 -57.0 -50.5 97.1 1.3 46.1 7 13 A I H X S+ 0 0 18 -4,-2.9 4,-2.8 1,-0.2 5,-0.3 0.898 109.9 52.7 -61.2 -42.0 95.0 -0.4 43.4 8 14 A G H X S+ 0 0 40 -4,-2.3 4,-1.9 1,-0.2 -1,-0.2 0.922 111.4 46.1 -60.7 -44.2 92.7 -2.0 46.0 9 15 A R H X S+ 0 0 61 -4,-2.3 4,-0.7 2,-0.2 -2,-0.2 0.905 112.5 50.4 -65.3 -39.9 92.0 1.4 47.6 10 16 A L H >< S+ 0 0 1 -4,-2.5 3,-0.6 1,-0.2 -2,-0.2 0.937 117.2 39.9 -63.8 -44.2 91.4 3.1 44.3 11 17 A L H >< S+ 0 0 40 -4,-2.8 3,-2.5 1,-0.2 -1,-0.2 0.749 95.9 84.9 -76.7 -22.9 89.0 0.4 43.2 12 18 A E H 3< S+ 0 0 136 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.800 83.7 57.4 -48.6 -37.8 87.5 0.2 46.7 13 19 A V T XX S+ 0 0 4 -4,-0.7 3,-2.1 -3,-0.6 4,-0.7 0.471 72.8 132.8 -77.4 -1.7 85.1 3.1 46.0 14 20 A Q T <4 S- 0 0 75 -3,-2.5 -3,-0.0 1,-0.3 50,-0.0 -0.333 85.8 -1.6 -55.3 114.0 83.5 1.3 43.0 15 21 A G T 34 S+ 0 0 76 -2,-0.2 -1,-0.3 49,-0.1 -2,-0.1 0.253 101.4 112.4 88.7 -12.2 79.8 1.7 43.5 16 22 A S T <4 S- 0 0 63 -3,-2.1 -2,-0.1 1,-0.2 -3,-0.1 0.945 94.6 -55.2 -56.8 -53.9 80.1 3.5 46.8 17 23 A R >< - 0 0 58 -4,-0.7 3,-2.1 3,-0.1 -1,-0.2 -0.610 58.4 -93.1 169.5 127.4 78.7 6.8 45.4 18 24 A P T 3 S+ 0 0 93 0, 0.0 -4,-0.0 0, 0.0 45,-0.0 -0.296 112.3 29.3 -53.7 125.5 79.8 9.0 42.5 19 25 A G T 3 S+ 0 0 41 1,-0.3 2,-0.2 466,-0.0 44,-0.0 0.228 77.2 140.3 108.7 -14.4 82.2 11.6 43.9 20 26 A K < - 0 0 109 -3,-2.1 -1,-0.3 -7,-0.2 -3,-0.1 -0.465 47.3-129.6 -68.1 129.1 83.8 9.7 46.9 21 27 A N - 0 0 72 -2,-0.2 2,-0.5 2,-0.0 -1,-0.1 -0.348 11.6-153.7 -77.3 158.2 87.5 10.5 47.1 22 28 A V - 0 0 15 -2,-0.1 2,-0.8 -10,-0.0 -12,-0.1 -0.979 15.7-161.0-130.6 107.9 90.4 8.0 47.5 23 29 A Q - 0 0 101 -2,-0.5 2,-0.1 -14,-0.0 3,-0.1 -0.844 8.2-172.0-100.2 98.7 93.3 9.8 49.2 24 30 A L - 0 0 4 -2,-0.8 2,-0.2 1,-0.1 -2,-0.0 -0.338 34.4 -95.6 -78.2 166.2 96.6 8.0 48.6 25 31 A T > - 0 0 70 1,-0.1 4,-2.5 -2,-0.1 5,-0.2 -0.533 28.6-118.6 -81.4 156.5 99.6 9.1 50.6 26 32 A E H > S+ 0 0 95 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.846 116.9 55.2 -63.9 -32.5 102.0 11.6 48.8 27 33 A N H > S+ 0 0 117 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.901 107.8 49.0 -66.6 -37.8 104.8 9.0 49.0 28 34 A E H > S+ 0 0 37 2,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.941 114.1 45.3 -65.4 -44.6 102.5 6.5 47.2 29 35 A I H X S+ 0 0 1 -4,-2.5 4,-2.3 2,-0.2 -2,-0.2 0.893 111.5 52.2 -66.4 -38.0 101.7 9.0 44.6 30 36 A R H X S+ 0 0 101 -4,-2.7 4,-2.8 1,-0.2 -1,-0.2 0.926 109.7 50.9 -62.9 -41.7 105.3 10.0 44.3 31 37 A G H X S+ 0 0 17 -4,-2.4 4,-2.5 1,-0.2 5,-0.3 0.890 107.7 51.3 -62.8 -42.7 106.1 6.3 43.8 32 38 A L H X S+ 0 0 0 -4,-2.2 4,-2.0 2,-0.2 5,-0.3 0.923 113.1 47.3 -60.3 -43.1 103.5 5.9 41.1 33 39 A C H X S+ 0 0 1 -4,-2.3 4,-2.3 2,-0.2 -2,-0.2 0.946 114.6 43.7 -65.3 -47.7 105.1 8.9 39.3 34 40 A L H X S+ 0 0 80 -4,-2.8 4,-1.6 2,-0.2 -2,-0.2 0.898 116.9 44.6 -67.8 -41.9 108.7 7.8 39.6 35 41 A K H X S+ 0 0 26 -4,-2.5 4,-1.8 -5,-0.2 -1,-0.2 0.903 117.0 44.4 -70.6 -40.9 108.1 4.1 38.6 36 42 A S H X S+ 0 0 0 -4,-2.0 4,-3.0 -5,-0.3 -2,-0.2 0.897 110.2 55.7 -70.1 -38.5 105.8 4.9 35.7 37 43 A R H X S+ 0 0 78 -4,-2.3 4,-2.4 -5,-0.3 5,-0.2 0.903 107.0 51.4 -57.9 -42.5 108.1 7.7 34.5 38 44 A E H X S+ 0 0 142 -4,-1.6 4,-1.7 2,-0.2 -1,-0.2 0.923 111.3 46.7 -60.1 -47.3 110.9 5.0 34.4 39 45 A I H X S+ 0 0 31 -4,-1.8 4,-1.8 2,-0.2 -2,-0.2 0.917 110.0 53.5 -63.4 -43.6 108.7 2.7 32.3 40 46 A F H < S+ 0 0 1 -4,-3.0 3,-0.3 1,-0.2 -2,-0.2 0.928 111.4 44.8 -57.6 -49.1 107.7 5.5 29.9 41 47 A L H < S+ 0 0 63 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.808 111.9 54.9 -64.8 -31.5 111.4 6.4 29.3 42 48 A S H < S+ 0 0 105 -4,-1.7 -1,-0.2 -5,-0.2 -2,-0.2 0.779 104.2 61.4 -72.7 -31.0 112.1 2.7 28.9 43 49 A Q S < S- 0 0 19 -4,-1.8 4,-0.1 -3,-0.3 0, 0.0 -0.541 101.6 -81.4 -94.9 163.4 109.5 2.1 26.2 44 50 A P - 0 0 79 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.264 23.1-135.5 -63.0 151.8 109.4 3.8 22.8 45 51 A I S S+ 0 0 9 1,-0.2 111,-1.9 136,-0.2 110,-1.9 0.732 107.5 50.1 -75.7 -23.8 107.9 7.3 22.4 46 52 A L E S-a 156 0A 7 109,-0.2 111,-0.3 108,-0.2 -1,-0.2 -0.950 96.0-145.1-115.4 99.5 106.1 5.8 19.3 47 53 A L E -a 157 0A 6 109,-3.0 111,-3.0 -2,-0.6 2,-0.7 -0.478 7.6-150.7 -72.3 138.9 104.5 2.7 20.7 48 54 A E E +a 158 0A 89 109,-0.2 2,-0.2 -2,-0.2 111,-0.2 -0.943 30.9 179.4-109.9 108.1 104.2 -0.4 18.5 49 55 A L E -a 159 0A 13 109,-2.5 111,-3.2 -2,-0.7 2,-0.3 -0.729 22.5-136.9-115.0 164.0 101.1 -2.3 19.7 50 56 A E - 0 0 149 -2,-0.2 231,-0.1 109,-0.2 109,-0.0 -0.886 31.5 -94.6-119.1 147.6 99.0 -5.4 18.9 51 57 A A S S+ 0 0 13 -2,-0.3 229,-0.1 230,-0.2 2,-0.1 -0.647 85.0 66.7 -99.0 161.6 95.3 -5.9 18.7 52 58 A P S S+ 0 0 75 0, 0.0 2,-0.3 0, 0.0 228,-0.2 0.466 76.0 127.4 -73.6 156.1 92.9 -6.8 20.1 53 59 A L E -F 279 0B 6 226,-1.7 226,-2.7 -2,-0.1 2,-0.4 -0.964 54.4-113.5-164.2 165.9 92.8 -3.9 22.6 54 60 A K E -Fg 278 81B 30 26,-2.2 28,-2.2 -2,-0.3 2,-0.4 -0.921 25.0-156.0-111.4 139.3 90.5 -1.1 23.8 55 61 A I E -Fg 277 82B 0 222,-2.6 222,-2.3 -2,-0.4 2,-0.4 -0.961 7.8-166.4-118.6 132.3 91.2 2.5 23.1 56 62 A C E -Fg 276 83B 0 26,-2.4 28,-2.3 -2,-0.4 29,-0.2 -0.928 4.4-155.4-119.5 146.4 89.9 5.4 25.2 57 63 A G - 0 0 0 218,-0.7 204,-0.3 -2,-0.4 28,-0.2 -0.024 57.7 -14.2 -94.5-154.7 89.7 9.1 24.6 58 64 A D B +j 261 0C 0 202,-0.7 204,-0.6 1,-0.1 205,-0.3 -0.088 48.4 172.0 -51.1 135.3 89.6 12.0 27.0 59 65 A I > - 0 0 3 27,-2.0 3,-1.5 26,-0.4 28,-0.2 0.708 13.7-170.2-110.6 -43.8 88.8 11.2 30.7 60 66 A H T 3 S- 0 0 0 26,-2.8 31,-0.6 1,-0.3 28,-0.3 0.888 70.3 -52.2 48.5 56.5 89.4 14.6 32.3 61 67 A G T 3 S+ 0 0 1 26,-3.0 2,-2.0 33,-0.2 32,-2.0 0.535 93.7 138.0 64.8 7.6 89.2 13.6 36.0 62 68 A Q X> + 0 0 33 -3,-1.5 4,-1.8 1,-0.2 3,-0.9 -0.516 24.2 169.9 -85.1 71.1 85.8 11.8 35.6 63 69 A Y H 3> + 0 0 0 -2,-2.0 4,-2.2 1,-0.3 -1,-0.2 0.842 69.4 53.7 -51.0 -46.6 87.0 9.0 37.8 64 70 A Y H 3> S+ 0 0 32 1,-0.2 4,-1.2 -3,-0.2 -1,-0.3 0.819 109.7 49.4 -65.8 -24.7 83.7 7.3 38.3 65 71 A D H <> S+ 0 0 29 -3,-0.9 4,-2.0 2,-0.2 -1,-0.2 0.851 106.2 55.5 -80.2 -33.1 83.2 7.2 34.5 66 72 A L H X S+ 0 0 0 -4,-1.8 4,-2.2 1,-0.2 -2,-0.2 0.910 107.6 50.8 -62.3 -41.4 86.7 5.7 34.1 67 73 A L H X S+ 0 0 6 -4,-2.2 4,-2.0 1,-0.2 -1,-0.2 0.857 107.8 51.8 -64.4 -36.7 85.5 3.0 36.5 68 74 A R H X S+ 0 0 106 -4,-1.2 4,-1.9 2,-0.2 -1,-0.2 0.857 108.8 52.3 -67.1 -35.8 82.4 2.5 34.4 69 75 A L H X S+ 0 0 2 -4,-2.0 4,-3.1 2,-0.2 5,-0.3 0.916 111.1 45.2 -65.1 -45.7 84.7 2.1 31.3 70 76 A F H X S+ 0 0 0 -4,-2.2 4,-2.2 2,-0.2 -2,-0.2 0.852 111.3 53.6 -66.7 -36.4 86.8 -0.6 33.0 71 77 A E H < S+ 0 0 118 -4,-2.0 -2,-0.2 3,-0.2 -1,-0.2 0.901 114.9 41.9 -64.5 -36.7 83.7 -2.3 34.2 72 78 A Y H < S+ 0 0 119 -4,-1.9 -2,-0.2 1,-0.2 -1,-0.2 0.924 125.0 32.8 -77.2 -46.4 82.4 -2.4 30.6 73 79 A G H < S- 0 0 11 -4,-3.1 -3,-0.2 -5,-0.1 -2,-0.2 0.629 122.7 -94.3 -87.1 -13.7 85.7 -3.3 28.9 74 80 A G < - 0 0 9 -4,-2.2 5,-0.2 -5,-0.3 -3,-0.2 0.399 38.9 -94.0 102.3 120.0 87.1 -5.5 31.7 75 81 A F S > S- 0 0 23 -4,-0.1 3,-2.5 3,-0.1 4,-0.1 -0.342 71.9 -51.7 -63.2 140.5 89.4 -4.3 34.4 76 82 A P T 3 S+ 0 0 13 0, 0.0 -1,-0.1 0, 0.0 4,-0.1 -0.248 125.9 24.3 -51.3 144.0 93.1 -4.8 33.7 77 83 A P T 3 S+ 0 0 73 0, 0.0 -2,-0.1 0, 0.0 3,-0.0 -0.886 105.3 80.0 -95.0 26.0 94.5 -7.3 32.8 78 84 A E S < S+ 0 0 154 -3,-2.5 2,-0.3 1,-0.1 -3,-0.1 0.677 110.8 13.1 -60.9 -19.5 91.2 -8.7 31.4 79 85 A S S S- 0 0 23 -5,-0.2 2,-0.3 -4,-0.1 -1,-0.1 -0.983 81.7-110.6-154.4 153.2 91.8 -6.5 28.3 80 86 A N - 0 0 42 -2,-0.3 -26,-2.2 -28,-0.2 2,-0.3 -0.642 38.2-160.4 -83.4 148.0 94.6 -4.5 26.8 81 87 A Y E -gh 54 112B 1 30,-1.5 32,-2.2 -2,-0.3 2,-0.4 -0.974 21.5-172.3-135.6 148.5 94.2 -0.7 26.9 82 88 A L E -gh 55 113B 0 -28,-2.2 -26,-2.4 -2,-0.3 2,-0.4 -0.988 12.9-164.0-136.2 117.6 95.5 2.4 25.1 83 89 A F E -gh 56 114B 0 30,-2.3 32,-2.1 -2,-0.4 -26,-0.2 -0.889 11.9-148.6-103.0 139.4 94.4 5.7 26.5 84 90 A L - 0 0 0 -28,-2.3 157,-0.2 -2,-0.4 2,-0.2 0.293 48.3 -97.2 -92.3 8.0 95.0 8.7 24.2 85 91 A G S S+ 0 0 0 -28,-0.2 -26,-0.4 -29,-0.2 -1,-0.3 -0.553 81.8 105.3 112.1-174.5 95.6 11.4 26.8 86 92 A D + 0 0 2 -2,-0.2 -26,-2.8 -28,-0.2 -27,-2.0 0.961 35.8 151.9 55.6 59.9 93.8 14.1 28.7 87 93 A Y + 0 0 0 -28,-0.2 -26,-3.0 -27,-0.2 2,-0.2 0.802 57.8 48.3 -84.8 -31.3 93.5 12.3 32.1 88 94 A V S S+ 0 0 0 -28,-0.3 -28,-0.2 -27,-0.1 -29,-0.1 -0.476 77.5 51.4-110.1 175.4 93.5 15.5 34.2 89 95 A D S S+ 0 0 0 -2,-0.2 2,-2.4 2,-0.1 40,-0.2 0.292 90.7 36.6 78.4 154.5 91.8 18.9 34.3 90 96 A R S S+ 0 0 75 38,-2.8 -29,-0.1 1,-0.1 -1,-0.1 -0.267 95.4 88.9 73.0 -57.1 88.0 19.8 34.3 91 97 A G S S- 0 0 17 -2,-2.4 3,-0.4 -31,-0.6 -29,-0.2 -0.122 81.6-119.0 -70.0 172.2 86.8 16.8 36.3 92 98 A K S S+ 0 0 110 1,-0.2 3,-0.2 -31,-0.2 -30,-0.1 0.706 104.7 39.6 -84.8 -20.6 86.4 16.5 40.0 93 99 A Q > + 0 0 8 -32,-2.0 4,-2.0 -33,-0.2 -1,-0.2 -0.345 57.6 141.5-131.8 58.4 88.8 13.7 40.5 94 100 A S H > S+ 0 0 0 -3,-0.4 4,-3.1 1,-0.2 5,-0.3 0.887 76.4 58.5 -61.8 -38.4 91.9 14.0 38.3 95 101 A L H > S+ 0 0 2 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.945 108.6 41.4 -59.3 -50.5 94.1 12.7 41.1 96 102 A E H > S+ 0 0 1 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.914 116.3 53.4 -63.9 -39.7 92.3 9.3 41.4 97 103 A T H X S+ 0 0 0 -4,-2.0 4,-1.9 2,-0.2 -2,-0.2 0.962 113.6 38.2 -59.2 -57.9 92.0 9.1 37.6 98 104 A I H X S+ 0 0 1 -4,-3.1 4,-2.4 1,-0.2 -1,-0.2 0.852 115.0 56.1 -66.1 -32.1 95.7 9.6 36.9 99 105 A C H X S+ 0 0 2 -4,-2.2 4,-2.2 -5,-0.3 -1,-0.2 0.905 107.8 46.3 -68.0 -41.8 96.8 7.5 39.9 100 106 A L H X S+ 0 0 0 -4,-2.4 4,-2.4 2,-0.2 -1,-0.2 0.924 113.9 49.3 -66.6 -41.3 94.8 4.4 38.8 101 107 A L H X S+ 0 0 0 -4,-1.9 4,-1.5 -5,-0.2 -2,-0.2 0.903 112.8 46.3 -64.7 -42.1 96.1 4.7 35.2 102 108 A L H X S+ 0 0 1 -4,-2.4 4,-2.2 2,-0.2 -1,-0.2 0.895 111.0 54.0 -66.9 -38.3 99.7 5.1 36.4 103 109 A A H X S+ 0 0 0 -4,-2.2 4,-2.4 1,-0.2 -2,-0.2 0.912 109.8 46.2 -61.8 -44.7 99.2 2.1 38.8 104 110 A Y H X S+ 0 0 7 -4,-2.4 4,-2.9 2,-0.2 -1,-0.2 0.790 109.2 55.5 -69.4 -28.8 97.9 -0.1 35.9 105 111 A K H < S+ 0 0 2 -4,-1.5 -2,-0.2 2,-0.2 -1,-0.2 0.924 112.5 42.2 -67.0 -44.2 100.8 1.0 33.7 106 112 A I H < S+ 0 0 30 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.892 117.9 47.5 -67.8 -39.8 103.3 -0.1 36.4 107 113 A K H < S+ 0 0 68 -4,-2.4 -2,-0.2 1,-0.2 -3,-0.2 0.912 129.5 19.7 -67.6 -47.8 101.3 -3.3 37.1 108 114 A Y S >X S+ 0 0 64 -4,-2.9 3,-1.8 -5,-0.1 4,-1.4 -0.527 71.7 165.3-126.6 68.4 100.9 -4.4 33.4 109 115 A P T 34 S+ 0 0 38 0, 0.0 -1,-0.1 0, 0.0 -3,-0.1 0.617 78.8 43.9 -59.2 -20.3 103.6 -2.5 31.5 110 116 A E T 34 S+ 0 0 130 1,-0.1 3,-0.1 3,-0.0 -5,-0.1 0.421 121.9 37.2-106.1 1.4 103.3 -4.6 28.4 111 117 A N T <4 S+ 0 0 69 -3,-1.8 -30,-1.5 1,-0.2 2,-0.4 0.391 108.1 61.8-129.9 -3.6 99.5 -4.7 28.3 112 118 A F E < -h 81 0B 1 -4,-1.4 2,-0.4 -32,-0.2 -1,-0.2 -0.997 62.5-174.7-130.6 129.4 98.4 -1.2 29.4 113 119 A F E -h 82 0B 16 -32,-2.2 -30,-2.3 -2,-0.4 2,-0.4 -0.983 11.9-170.4-135.5 141.5 99.4 2.0 27.6 114 120 A L E -h 83 0B 1 -2,-0.4 2,-0.2 -32,-0.2 -30,-0.2 -0.990 8.0-162.0-128.9 127.3 99.0 5.8 28.1 115 121 A L - 0 0 0 -32,-2.1 2,-0.3 -2,-0.4 40,-0.2 -0.682 31.4 -98.2-101.8 163.3 99.8 8.5 25.5 116 122 A R - 0 0 0 38,-2.3 51,-0.4 -2,-0.2 2,-0.2 -0.597 35.7-165.0 -83.4 135.3 100.3 12.1 26.3 117 123 A G > - 0 0 0 -2,-0.3 3,-1.7 50,-0.1 -32,-0.1 -0.704 38.5-101.0-110.0 170.0 97.4 14.5 25.8 118 124 A N T 3 S+ 0 0 2 81,-0.5 6,-0.2 1,-0.3 71,-0.1 0.730 121.1 60.2 -65.5 -18.7 97.6 18.4 25.6 119 125 A H T 3 S+ 0 0 6 1,-0.2 2,-1.7 5,-0.1 -1,-0.3 0.557 80.3 82.5 -85.5 -7.4 96.5 18.5 29.3 120 126 A E S < S+ 0 0 0 -3,-1.7 2,-0.3 30,-0.1 -1,-0.2 -0.516 77.3 100.4 -92.3 63.6 99.5 16.5 30.5 121 127 A C S > S- 0 0 18 -2,-1.7 4,-2.0 1,-0.1 3,-0.2 -0.965 77.1-128.8-152.0 130.9 101.3 19.8 30.4 122 128 A A H > S+ 0 0 18 -2,-0.3 4,-1.5 1,-0.2 9,-0.1 0.885 103.1 49.6 -47.9 -56.3 102.2 22.1 33.3 123 129 A S H > S+ 0 0 86 1,-0.2 4,-0.9 2,-0.2 3,-0.2 0.891 112.6 47.2 -56.2 -42.7 100.9 25.5 31.9 124 130 A I H >> S+ 0 0 18 1,-0.2 4,-2.8 -6,-0.2 3,-0.5 0.882 107.4 58.3 -68.2 -36.2 97.5 24.0 30.9 125 131 A N H 3X S+ 0 0 0 -4,-2.0 6,-1.7 1,-0.2 4,-0.8 0.805 99.1 58.7 -59.2 -38.8 97.2 22.4 34.4 126 132 A R H 3< S+ 0 0 122 -4,-1.5 -1,-0.2 -3,-0.2 -2,-0.2 0.847 115.2 35.6 -61.2 -34.7 97.5 25.7 36.1 127 133 A I H << S+ 0 0 121 -4,-0.9 -2,-0.2 -3,-0.5 -1,-0.2 0.862 118.5 46.7 -88.7 -38.5 94.5 27.0 34.2 128 134 A Y H < S- 0 0 62 -4,-2.8 -38,-2.8 -9,-0.1 -2,-0.2 0.304 114.2 -91.4 -94.9 9.3 92.2 23.9 33.9 129 135 A G S X S+ 0 0 23 -4,-0.8 4,-2.2 -40,-0.2 5,-0.2 -0.073 95.9 97.0 120.9 -41.9 92.2 22.5 37.4 130 136 A F H > S+ 0 0 0 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.865 88.8 52.6 -55.3 -41.0 94.9 19.8 38.1 131 137 A Y H > S+ 0 0 40 -6,-1.7 4,-2.7 1,-0.2 -1,-0.2 0.941 111.8 45.7 -60.6 -47.2 97.2 22.3 39.7 132 138 A D H > S+ 0 0 79 -7,-0.5 4,-2.3 2,-0.2 -1,-0.2 0.848 111.3 52.6 -65.3 -35.3 94.5 23.5 42.1 133 139 A E H X S+ 0 0 10 -4,-2.2 4,-2.8 2,-0.2 5,-0.3 0.932 113.1 44.1 -66.3 -45.6 93.5 19.9 42.9 134 140 A C H X S+ 0 0 0 -4,-2.5 4,-2.3 2,-0.2 -2,-0.2 0.908 113.5 50.3 -64.8 -43.8 97.1 19.0 43.8 135 141 A K H < S+ 0 0 105 -4,-2.7 -2,-0.2 -5,-0.2 -1,-0.2 0.904 116.7 42.3 -62.3 -40.6 97.6 22.2 45.8 136 142 A R H < S+ 0 0 162 -4,-2.3 -2,-0.2 -5,-0.2 -1,-0.2 0.963 124.9 30.8 -71.5 -52.4 94.4 21.6 47.8 137 143 A R H < S- 0 0 21 -4,-2.8 -3,-0.2 -5,-0.2 -2,-0.2 0.662 139.8 -7.8 -84.1 -19.3 94.7 17.8 48.4 138 144 A Y S < S- 0 0 34 -4,-2.3 2,-0.3 -5,-0.3 -3,-0.1 0.060 96.2 -74.1-137.4-109.1 98.5 17.5 48.6 139 145 A N > - 0 0 55 1,-0.1 4,-1.2 -2,-0.1 3,-0.3 -0.960 34.4-101.1-159.4 166.0 101.0 20.2 47.8 140 146 A I H > S+ 0 0 78 -2,-0.3 4,-1.9 1,-0.2 5,-0.2 0.821 115.9 62.9 -63.6 -33.6 102.6 22.0 44.8 141 147 A K H > S+ 0 0 139 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.910 101.7 51.9 -59.3 -38.9 105.7 19.8 44.9 142 148 A L H > S+ 0 0 7 -3,-0.3 4,-2.4 1,-0.2 -1,-0.2 0.882 104.8 55.5 -66.1 -36.8 103.6 16.8 44.1 143 149 A W H X S+ 0 0 10 -4,-1.2 4,-2.1 1,-0.2 -1,-0.2 0.900 107.4 50.0 -60.7 -39.9 102.1 18.6 41.1 144 150 A K H X S+ 0 0 104 -4,-1.9 4,-2.3 2,-0.2 -2,-0.2 0.879 106.9 54.9 -64.8 -39.0 105.7 19.1 39.9 145 151 A T H X S+ 0 0 12 -4,-1.9 4,-1.7 1,-0.2 -2,-0.2 0.931 108.2 49.3 -59.0 -44.7 106.3 15.4 40.4 146 152 A F H X S+ 0 0 0 -4,-2.4 4,-3.0 1,-0.2 -2,-0.2 0.909 109.4 51.1 -61.1 -43.8 103.3 14.7 38.2 147 153 A T H X S+ 0 0 7 -4,-2.1 4,-2.4 2,-0.2 -1,-0.2 0.867 107.0 53.3 -65.4 -34.4 104.5 17.1 35.5 148 154 A D H < S+ 0 0 53 -4,-2.3 -1,-0.2 2,-0.2 -2,-0.2 0.892 112.5 45.6 -65.8 -37.3 108.0 15.4 35.4 149 155 A C H >< S+ 0 0 1 -4,-1.7 3,-1.9 1,-0.2 -2,-0.2 0.936 111.6 51.5 -68.9 -46.1 106.2 12.1 34.9 150 156 A F H >< S+ 0 0 1 -4,-3.0 3,-1.8 1,-0.3 -2,-0.2 0.852 99.6 65.1 -57.9 -38.6 103.9 13.7 32.2 151 157 A N T 3< S+ 0 0 10 -4,-2.4 36,-1.4 1,-0.3 -1,-0.3 0.574 102.4 49.9 -63.2 -9.4 107.0 15.0 30.4 152 158 A C T < S+ 0 0 0 -3,-1.9 -1,-0.3 34,-0.2 -2,-0.2 0.363 79.9 124.3-110.5 2.2 108.0 11.4 29.8 153 159 A L < - 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0 0 0 -28,-2.1 157,-0.2 -2,-0.4 2,-0.1 0.279 47.6-102.4 -98.9 9.2 62.3 26.2 50.8 377 91 B G S S+ 0 0 0 -28,-0.2 -26,-0.4 -29,-0.1 -1,-0.3 -0.463 80.0 107.8 107.6-174.4 64.9 26.5 53.7 378 92 B D + 0 0 2 -28,-0.2 -26,-2.6 -2,-0.1 -27,-2.3 0.980 36.9 151.4 56.7 61.4 66.9 29.0 55.6 379 93 B Y + 0 0 0 -28,-0.2 -26,-2.7 -29,-0.2 2,-0.2 0.777 57.1 49.2 -87.0 -32.3 64.9 28.9 58.8 380 94 B V S S+ 0 0 0 -28,-0.3 -28,-0.2 -27,-0.1 -29,-0.1 -0.513 78.5 49.8-109.1 174.3 67.8 29.8 61.0 381 95 B D S S+ 0 0 0 -2,-0.2 2,-2.8 2,-0.1 40,-0.2 0.222 90.0 37.5 80.1 158.6 70.5 32.5 61.3 382 96 B R S S+ 0 0 74 38,-2.7 -29,-0.1 1,-0.1 -1,-0.1 -0.333 96.4 88.2 69.1 -62.5 70.4 36.3 61.1 383 97 B G S S- 0 0 20 -2,-2.8 3,-0.3 -31,-1.0 -30,-0.2 0.069 80.9-120.6 -63.1 175.0 67.1 36.7 62.9 384 98 B K S S+ 0 0 184 -31,-0.3 3,-0.2 1,-0.2 -30,-0.1 0.657 103.2 41.1 -91.1 -18.7 66.4 37.0 66.6 385 99 B Q > + 0 0 11 -32,-2.1 4,-2.0 -33,-0.2 -1,-0.2 -0.282 57.8 139.4-131.5 56.4 64.2 34.0 67.0 386 100 B S H > S+ 0 0 0 -3,-0.3 4,-2.9 1,-0.2 5,-0.3 0.874 75.8 57.9 -63.3 -36.3 65.5 31.0 65.0 387 101 B L H > S+ 0 0 2 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.947 108.4 42.6 -61.3 -51.0 64.7 28.6 67.9 388 102 B E H > S+ 0 0 2 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.916 115.9 53.0 -60.7 -43.0 60.9 29.5 67.9 389 103 B T H X S+ 0 0 0 -4,-2.0 4,-2.0 2,-0.2 -2,-0.2 0.971 113.7 37.8 -56.6 -62.5 60.9 29.4 64.1 390 104 B I H X S+ 0 0 2 -4,-2.9 4,-2.7 1,-0.2 5,-0.2 0.874 114.8 56.0 -63.2 -35.5 62.5 26.0 63.6 391 105 B C H X S+ 0 0 2 -4,-2.5 4,-2.3 -5,-0.3 -1,-0.2 0.915 108.4 46.7 -64.6 -40.4 60.6 24.5 66.6 392 106 B L H X S+ 0 0 0 -4,-2.3 4,-2.3 -5,-0.2 -1,-0.2 0.894 113.7 49.1 -68.2 -39.2 57.2 25.5 65.2 393 107 B L H X S+ 0 0 0 -4,-2.0 4,-2.2 -5,-0.2 -2,-0.2 0.927 112.6 46.3 -66.9 -42.9 58.1 24.2 61.8 394 108 B L H X S+ 0 0 2 -4,-2.7 4,-2.2 2,-0.2 -2,-0.2 0.906 111.6 53.1 -65.8 -39.2 59.4 20.8 63.1 395 109 B A H X S+ 0 0 0 -4,-2.3 4,-2.5 -5,-0.2 -2,-0.2 0.929 111.0 46.0 -60.2 -47.1 56.2 20.6 65.3 396 110 B Y H X S+ 0 0 6 -4,-2.3 4,-2.7 2,-0.2 -1,-0.2 0.863 109.6 54.5 -64.8 -36.8 54.0 21.1 62.3 397 111 B K H < S+ 0 0 2 -4,-2.2 -1,-0.2 2,-0.2 -2,-0.2 0.907 112.0 45.2 -62.5 -40.2 56.0 18.6 60.2 398 112 B I H < S+ 0 0 27 -4,-2.2 -2,-0.2 2,-0.2 -1,-0.2 0.902 116.8 43.4 -71.3 -41.3 55.4 16.0 63.0 399 113 B K H < S+ 0 0 71 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.848 131.4 22.6 -74.5 -33.0 51.7 16.8 63.4 400 114 B Y >X + 0 0 52 -4,-2.7 3,-2.0 -5,-0.2 4,-1.0 -0.417 69.6 161.6-133.3 62.7 51.0 17.0 59.6 401 115 B P T 34 S+ 0 0 39 0, 0.0 -1,-0.1 0, 0.0 -3,-0.1 0.666 79.4 44.9 -56.6 -22.8 53.7 15.0 57.8 402 116 B E T 34 S+ 0 0 139 1,-0.1 3,-0.1 3,-0.0 -5,-0.1 0.470 120.1 38.5-102.3 -2.8 51.7 14.6 54.6 403 117 B N T <4 S+ 0 0 64 -3,-2.0 -30,-1.7 1,-0.2 2,-0.4 0.294 110.5 56.5-128.9 6.3 50.5 18.2 54.4 404 118 B F E < -t 373 0F 1 -4,-1.0 2,-0.4 -32,-0.2 -1,-0.2 -0.984 63.2-177.5-144.9 126.0 53.5 20.2 55.6 405 119 B F E -t 374 0F 13 -32,-2.7 -30,-2.3 -2,-0.4 2,-0.4 -0.975 11.5-166.7-134.8 144.9 57.0 20.1 54.0 406 120 B L E -t 375 0F 1 -2,-0.4 2,-0.3 -32,-0.2 -30,-0.2 -0.992 7.0-160.3-130.3 131.9 60.4 21.6 54.6 407 121 B L - 0 0 0 -32,-1.7 2,-0.3 -2,-0.4 40,-0.2 -0.697 31.1 -99.0-104.9 163.4 63.4 21.6 52.3 408 122 B R - 0 0 0 38,-2.3 51,-0.4 -2,-0.3 2,-0.2 -0.643 35.6-163.5 -85.3 136.1 67.0 22.1 53.3 409 123 B G > - 0 0 0 -2,-0.3 3,-1.7 50,-0.1 -32,-0.1 -0.660 38.4 -99.7-108.7 172.0 68.5 25.6 52.8 410 124 B N T 3 S+ 0 0 3 81,-0.5 6,-0.3 1,-0.3 3,-0.1 0.719 122.1 59.9 -66.2 -17.6 72.2 26.5 52.8 411 125 B H T 3 S+ 0 0 7 1,-0.2 2,-1.2 5,-0.1 -1,-0.3 0.554 82.0 81.2 -86.5 -6.1 71.8 27.7 56.4 412 126 B E S < S+ 0 0 0 -3,-1.7 2,-0.3 30,-0.1 -1,-0.2 -0.404 76.4 96.7 -94.3 58.9 70.7 24.3 57.6 413 127 B C S > S- 0 0 6 -2,-1.2 4,-2.8 -3,-0.1 3,-0.3 -0.970 77.0-133.8-149.3 127.4 74.4 23.3 57.7 414 128 B A H > S+ 0 0 23 -2,-0.3 4,-1.4 1,-0.2 5,-0.2 0.799 105.1 59.2 -53.1 -37.5 76.6 23.4 60.8 415 129 B S H > S+ 0 0 81 2,-0.2 4,-0.7 1,-0.2 -1,-0.2 0.963 115.3 34.3 -56.9 -51.9 79.4 25.1 59.0 416 130 B I H >> S+ 0 0 25 -3,-0.3 4,-2.2 -6,-0.3 3,-0.9 0.937 117.9 49.4 -72.5 -50.6 77.2 28.1 58.1 417 131 B N H 3< S+ 0 0 0 -4,-2.8 6,-2.5 1,-0.2 4,-0.4 0.679 100.3 66.6 -69.9 -10.1 75.0 28.3 61.2 418 132 B R H 3< S+ 0 0 122 -4,-1.4 -1,-0.2 -5,-0.3 3,-0.2 0.898 114.2 31.2 -70.9 -37.8 78.0 28.2 63.5 419 133 B I H << S+ 0 0 122 -3,-0.9 -2,-0.2 -4,-0.7 -1,-0.1 0.807 115.4 55.3 -90.1 -35.7 78.9 31.6 62.0 420 134 B Y S < S- 0 0 64 -4,-2.2 -38,-2.7 -9,-0.1 -1,-0.2 0.216 118.3 -81.0 -92.3 15.5 75.6 33.3 61.2 421 135 B G S > S+ 0 0 21 -4,-0.4 4,-2.3 -40,-0.2 5,-0.2 -0.143 103.2 91.5 125.8 -44.3 73.8 33.1 64.5 422 136 B F H > S+ 0 0 0 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.883 89.5 52.3 -58.4 -43.9 72.1 29.8 65.3 423 137 B Y H > S+ 0 0 34 -6,-2.5 4,-2.6 1,-0.2 -1,-0.2 0.928 112.1 47.5 -57.6 -44.9 75.1 28.3 67.1 424 138 B D H > S+ 0 0 93 -7,-0.4 4,-2.5 -6,-0.2 -2,-0.2 0.898 111.2 50.3 -63.5 -41.0 75.2 31.4 69.3 425 139 B E H X S+ 0 0 9 -4,-2.3 4,-3.1 2,-0.2 5,-0.3 0.928 113.0 46.6 -63.9 -44.6 71.4 31.3 70.0 426 140 B C H X S+ 0 0 0 -4,-2.8 4,-2.9 2,-0.2 -2,-0.2 0.957 114.0 46.7 -61.5 -52.3 71.6 27.6 70.9 427 141 B K H < S+ 0 0 125 -4,-2.6 -1,-0.2 -5,-0.2 -2,-0.2 0.894 117.9 44.3 -57.4 -41.9 74.6 28.0 73.2 428 142 B R H < S+ 0 0 161 -4,-2.5 -2,-0.2 -5,-0.2 -1,-0.2 0.944 125.0 29.3 -69.7 -51.0 72.9 31.1 74.8 429 143 B R H < S- 0 0 21 -4,-3.1 -2,-0.2 -5,-0.2 -3,-0.2 0.639 140.7 -9.5 -88.2 -17.0 69.4 29.7 75.3 430 144 B Y S < S- 0 0 34 -4,-2.9 2,-0.3 -5,-0.3 -3,-0.1 -0.119 95.9 -72.1-142.2-116.6 70.2 26.0 75.7 431 145 B N > - 0 0 52 -2,-0.1 4,-1.0 -113,-0.0 3,-0.5 -0.953 34.8-103.7-152.2 165.2 73.5 24.2 75.1 432 146 B I H > S+ 0 0 84 -2,-0.3 4,-1.8 1,-0.2 5,-0.1 0.712 114.1 68.0 -66.9 -19.2 75.8 23.2 72.2 433 147 B K H > S+ 0 0 118 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.936 100.3 48.1 -65.4 -43.4 74.6 19.6 72.6 434 148 B L H > S+ 0 0 3 -3,-0.5 4,-2.4 1,-0.2 -1,-0.2 0.829 105.8 59.2 -66.3 -31.3 71.2 20.6 71.4 435 149 B W H X S+ 0 0 26 -4,-1.0 4,-2.0 2,-0.2 -1,-0.2 0.900 106.1 47.5 -63.1 -40.9 72.8 22.5 68.5 436 150 B K H X S+ 0 0 111 -4,-1.8 4,-2.5 2,-0.2 -2,-0.2 0.899 108.7 55.5 -66.6 -37.8 74.4 19.2 67.3 437 151 B T H X S+ 0 0 12 -4,-1.9 4,-1.6 1,-0.2 -2,-0.2 0.922 107.6 48.2 -59.7 -45.1 70.9 17.6 67.7 438 152 B F H X S+ 0 0 0 -4,-2.4 4,-2.8 1,-0.2 -1,-0.2 0.895 109.9 54.0 -60.3 -41.1 69.5 20.2 65.3 439 153 B T H X S+ 0 0 12 -4,-2.0 4,-2.6 1,-0.2 -2,-0.2 0.902 105.1 51.9 -60.6 -45.0 72.4 19.5 63.0 440 154 B D H < S+ 0 0 55 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.857 113.6 46.2 -59.0 -38.1 71.7 15.8 62.9 441 155 B C H >< S+ 0 0 0 -4,-1.6 3,-1.8 -5,-0.2 4,-0.2 0.917 110.4 50.7 -70.8 -45.9 68.1 16.7 62.0 442 156 B F H >< S+ 0 0 2 -4,-2.8 3,-2.0 1,-0.3 -2,-0.2 0.892 100.3 65.5 -60.1 -38.5 69.1 19.3 59.3 443 157 B N T 3< S+ 0 0 25 -4,-2.6 36,-1.6 1,-0.3 -1,-0.3 0.583 102.8 49.6 -61.0 -10.4 71.3 16.6 57.8 444 158 B C T < S+ 0 0 0 -3,-1.8 -1,-0.3 34,-0.2 -2,-0.2 0.374 80.4 122.4-110.6 2.1 68.2 14.7 57.0 445 159 B L < - 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