==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=4-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 09-JAN-02 1IT6 . COMPND 2 MOLECULE: SERINE/THREONINE PROTEIN PHOSPHATASE 1 GAMMA . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR A.KITA,S.MATSUNAGA,A.TAKAI,H.KATAIWA,T.WAKIMOTO,N.FUSETANI, . 586 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 25687.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 398 67.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 52 8.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 52 8.9 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 . 28 4.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 65 11.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 165 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 2 2 0 2 2 1 1 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 0 104 0, 0.0 2,-1.5 0, 0.0 3,-0.2 0.000 360.0 360.0 360.0 105.7 29.4 26.7 0.5 2 8 A N >> + 0 0 97 1,-0.2 4,-1.8 2,-0.1 3,-0.6 -0.618 360.0 176.8 -89.5 81.5 32.7 25.8 -1.2 3 9 A I H 3> S+ 0 0 18 -2,-1.5 4,-2.8 1,-0.2 5,-0.2 0.839 75.3 54.7 -51.5 -43.5 33.8 22.9 1.1 4 10 A D H 3> S+ 0 0 70 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.863 107.6 50.0 -63.9 -34.5 36.9 22.0 -0.9 5 11 A S H <> S+ 0 0 40 -3,-0.6 4,-2.2 2,-0.2 -1,-0.2 0.895 111.8 49.3 -70.2 -38.9 38.2 25.6 -0.6 6 12 A I H X S+ 0 0 0 -4,-1.8 4,-2.5 2,-0.2 -2,-0.2 0.958 112.5 45.9 -64.8 -49.8 37.6 25.5 3.1 7 13 A I H X S+ 0 0 14 -4,-2.8 4,-2.3 1,-0.2 -2,-0.2 0.918 113.1 50.2 -61.0 -44.4 39.4 22.2 3.7 8 14 A Q H X S+ 0 0 136 -4,-2.2 4,-1.2 -5,-0.2 -1,-0.2 0.909 110.9 48.9 -62.4 -40.8 42.3 23.2 1.5 9 15 A R H X S+ 0 0 80 -4,-2.2 4,-0.5 1,-0.2 3,-0.4 0.924 112.0 49.0 -65.3 -40.8 42.7 26.5 3.4 10 16 A L H >< S+ 0 0 0 -4,-2.5 3,-0.5 1,-0.2 -2,-0.2 0.856 113.2 47.0 -66.7 -34.4 42.5 24.7 6.8 11 17 A L H >< S+ 0 0 16 -4,-2.3 3,-2.1 1,-0.2 -1,-0.2 0.661 90.0 82.5 -83.5 -13.6 45.1 22.1 5.7 12 18 A E H 3< S+ 0 0 148 -4,-1.2 -1,-0.2 -3,-0.4 -2,-0.2 0.823 78.9 69.0 -60.0 -31.4 47.5 24.7 4.3 13 19 A V T X< S+ 0 0 9 -3,-0.5 3,-1.2 -4,-0.5 -1,-0.3 0.479 75.4 121.1 -66.0 -4.0 48.9 25.3 7.8 14 20 A R T < S+ 0 0 113 -3,-2.1 3,-0.1 1,-0.3 50,-0.0 -0.239 72.7 22.2 -58.1 154.9 50.4 21.8 7.6 15 21 A G T 3 S+ 0 0 90 1,-0.2 -1,-0.3 0, 0.0 2,-0.2 0.735 106.3 112.9 58.5 22.3 54.1 21.6 8.1 16 22 A S S < S- 0 0 29 -3,-1.2 -1,-0.2 4,-0.1 -3,-0.0 -0.590 77.9 -79.6-116.2 179.5 54.0 25.0 9.8 17 23 A K > - 0 0 141 -2,-0.2 3,-1.7 -3,-0.1 -1,-0.0 -0.693 54.3-102.4 -86.0 127.0 54.6 26.2 13.4 18 24 A P T 3 S+ 0 0 99 0, 0.0 3,-0.1 0, 0.0 -1,-0.1 -0.139 104.8 46.5 -47.2 133.9 51.8 25.6 15.8 19 25 A G T 3 S+ 0 0 44 1,-0.4 2,-0.1 -3,-0.0 -2,-0.0 0.001 71.2 131.1 119.5 -29.5 49.8 28.7 16.5 20 26 A K < - 0 0 118 -3,-1.7 -1,-0.4 -7,-0.1 2,-0.1 -0.413 49.9-142.9 -59.8 123.4 49.3 29.9 12.9 21 27 A N - 0 0 86 -2,-0.1 2,-0.5 -3,-0.1 -1,-0.1 -0.390 10.2-144.3 -86.8 167.2 45.6 30.6 12.5 22 28 A V - 0 0 15 -2,-0.1 2,-0.9 2,-0.0 -12,-0.1 -0.992 15.3-155.1-130.1 115.4 43.3 30.1 9.6 23 29 A Q - 0 0 116 -2,-0.5 2,-0.1 -14,-0.1 3,-0.1 -0.811 13.9-173.7-103.4 96.1 40.8 32.9 9.3 24 30 A L - 0 0 6 -2,-0.9 2,-0.1 1,-0.1 -2,-0.0 -0.446 36.6 -92.9 -78.1 158.7 37.8 31.6 7.5 25 31 A Q >> - 0 0 124 -2,-0.1 4,-1.8 1,-0.1 3,-0.6 -0.472 32.9-120.4 -73.0 147.3 35.0 34.1 6.6 26 32 A E H 3> S+ 0 0 75 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.890 112.3 53.8 -55.4 -43.6 32.2 34.3 9.2 27 33 A N H 3> S+ 0 0 101 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.831 105.7 55.4 -62.4 -31.7 29.5 33.2 6.7 28 34 A E H <> S+ 0 0 23 -3,-0.6 4,-2.3 2,-0.2 -1,-0.2 0.962 109.4 44.6 -66.6 -48.6 31.6 30.1 5.9 29 35 A I H X S+ 0 0 2 -4,-1.8 4,-2.1 2,-0.2 -2,-0.2 0.927 112.9 50.9 -60.8 -45.8 31.8 29.0 9.5 30 36 A R H X S+ 0 0 67 -4,-2.5 4,-2.2 1,-0.2 -1,-0.2 0.933 109.8 53.4 -57.2 -41.8 28.1 29.7 10.0 31 37 A G H X S+ 0 0 18 -4,-2.4 4,-2.8 1,-0.2 5,-0.3 0.897 104.7 52.1 -60.2 -45.7 27.5 27.6 6.9 32 38 A L H X S+ 0 0 0 -4,-2.3 4,-2.4 1,-0.2 5,-0.3 0.907 110.4 50.2 -58.7 -41.3 29.5 24.6 8.2 33 39 A C H X S+ 0 0 2 -4,-2.1 4,-1.8 1,-0.2 -2,-0.2 0.911 114.1 42.3 -64.7 -45.2 27.4 24.7 11.4 34 40 A L H X S+ 0 0 95 -4,-2.2 4,-1.6 2,-0.2 -2,-0.2 0.895 117.2 46.4 -70.8 -38.7 24.0 24.8 9.6 35 41 A K H X S+ 0 0 87 -4,-2.8 4,-1.6 -5,-0.2 -2,-0.2 0.919 114.4 46.1 -69.7 -44.7 25.0 22.2 6.9 36 42 A S H X S+ 0 0 0 -4,-2.4 4,-2.9 -5,-0.3 5,-0.2 0.908 108.5 57.1 -65.6 -39.6 26.5 19.7 9.4 37 43 A R H X S+ 0 0 67 -4,-1.8 4,-2.3 -5,-0.3 -1,-0.2 0.920 103.7 53.8 -56.8 -44.2 23.5 20.1 11.7 38 44 A E H X S+ 0 0 129 -4,-1.6 4,-0.9 1,-0.2 -1,-0.2 0.919 111.5 45.3 -56.3 -44.3 21.2 19.1 8.9 39 45 A I H >X S+ 0 0 21 -4,-1.6 4,-1.0 2,-0.2 3,-0.8 0.918 108.1 55.9 -68.3 -42.2 23.3 15.9 8.4 40 46 A F H >< S+ 0 0 3 -4,-2.9 3,-0.9 1,-0.3 -1,-0.2 0.921 107.5 50.3 -56.4 -44.7 23.5 15.1 12.1 41 47 A L H 3< S+ 0 0 71 -4,-2.3 -1,-0.3 1,-0.2 -2,-0.2 0.719 106.1 55.2 -67.3 -22.7 19.7 15.1 12.3 42 48 A S H << S+ 0 0 93 -4,-0.9 -1,-0.2 -3,-0.8 -2,-0.2 0.633 102.3 66.1 -85.8 -14.3 19.3 12.8 9.3 43 49 A Q S << S- 0 0 24 -4,-1.0 4,-0.1 -3,-0.9 0, 0.0 -0.791 99.1 -86.8-106.1 152.6 21.5 10.1 10.9 44 50 A P - 0 0 72 0, 0.0 3,-0.2 0, 0.0 -1,-0.1 -0.007 21.8-130.9 -53.2 156.4 20.6 8.1 14.1 45 51 A I S S+ 0 0 10 1,-0.3 110,-1.8 136,-0.2 111,-1.5 0.704 108.0 47.9 -81.3 -20.5 21.4 9.3 17.5 46 52 A L E S-a 156 0A 4 109,-0.2 -1,-0.3 108,-0.2 111,-0.3 -0.928 94.5-145.1-120.9 97.1 22.9 5.9 18.2 47 53 A L E -a 157 0A 6 109,-2.4 111,-2.0 -2,-0.6 2,-0.6 -0.339 9.2-153.5 -67.5 144.9 25.2 5.1 15.2 48 54 A E E +a 158 0A 139 109,-0.2 2,-0.2 -2,-0.1 111,-0.2 -0.944 28.9 175.8-119.8 101.5 25.6 1.7 13.8 49 55 A L E -a 159 0A 17 109,-2.1 111,-2.9 -2,-0.6 2,-0.4 -0.666 22.6-140.0-108.3 167.6 29.0 1.6 12.1 50 56 A E - 0 0 154 109,-0.2 231,-0.1 -2,-0.2 109,-0.0 -0.943 33.1 -88.0-127.1 144.0 31.2 -1.0 10.4 51 57 A A S S+ 0 0 17 -2,-0.4 229,-0.1 230,-0.2 2,-0.1 -0.455 85.5 77.4 -80.6 162.9 34.9 -1.6 10.6 52 58 A P S S+ 0 0 63 0, 0.0 2,-0.3 0, 0.0 28,-0.3 0.444 72.8 129.6 -76.4 147.4 37.5 -0.8 9.4 53 59 A L E -F 279 0B 8 226,-1.8 226,-2.3 -2,-0.1 2,-0.4 -0.986 52.2-125.5-160.6 156.8 37.7 2.6 11.2 54 60 A K E -Fg 278 81B 47 26,-2.6 28,-1.9 -2,-0.3 2,-0.4 -0.885 24.5-155.2-106.4 137.2 40.0 4.7 13.3 55 61 A I E -Fg 277 82B 0 222,-2.7 222,-2.3 -2,-0.4 2,-0.4 -0.969 9.3-167.3-117.8 132.5 38.7 6.0 16.6 56 62 A C E -Fg 276 83B 0 26,-2.3 28,-2.8 -2,-0.4 29,-0.2 -0.944 5.5-152.3-123.6 144.1 40.0 9.1 18.3 57 63 A G - 0 0 0 218,-0.7 204,-0.3 -2,-0.4 28,-0.2 0.040 56.1 -15.8 -90.5-154.4 39.6 10.5 21.8 58 64 A D B +j 261 0C 1 202,-0.8 204,-0.7 26,-0.1 -1,-0.2 -0.103 47.6 174.1 -53.0 136.8 39.7 14.1 23.1 59 65 A I > - 0 0 2 27,-2.5 3,-1.6 26,-0.4 28,-0.2 0.722 11.4-170.5-110.9 -42.5 41.2 16.8 20.9 60 66 A H T 3 - 0 0 1 26,-2.5 31,-0.5 1,-0.3 28,-0.3 0.858 69.3 -55.5 47.3 56.1 40.5 20.0 22.9 61 67 A G T 3 S+ 0 0 1 26,-2.6 2,-1.8 33,-0.2 32,-1.7 0.579 92.7 137.8 60.9 12.5 41.5 22.6 20.3 62 68 A Q X> + 0 0 28 -3,-1.6 4,-1.6 1,-0.2 3,-1.6 -0.477 25.3 172.2 -88.5 68.6 45.0 21.2 19.8 63 69 A Y H 3> + 0 0 0 -2,-1.8 4,-2.0 1,-0.3 -1,-0.2 0.802 69.3 55.1 -45.6 -46.7 44.7 21.7 16.0 64 70 A Y H 3> S+ 0 0 24 1,-0.2 4,-1.3 2,-0.2 -1,-0.3 0.799 108.5 49.6 -66.0 -22.6 48.3 20.9 15.1 65 71 A D H <> S+ 0 0 27 -3,-1.6 4,-2.1 2,-0.2 -1,-0.2 0.863 106.1 55.7 -81.9 -32.9 47.9 17.6 16.9 66 72 A L H X S+ 0 0 1 -4,-1.6 4,-2.2 1,-0.2 -2,-0.2 0.903 106.8 51.6 -63.1 -40.0 44.7 16.8 15.0 67 73 A L H X S+ 0 0 9 -4,-2.0 4,-1.8 1,-0.2 -1,-0.2 0.912 108.0 51.5 -63.0 -40.4 46.7 17.3 11.8 68 74 A R H X S+ 0 0 49 -4,-1.3 4,-2.2 2,-0.2 -1,-0.2 0.868 106.9 54.2 -64.1 -36.6 49.3 14.9 13.1 69 75 A L H X S+ 0 0 1 -4,-2.1 4,-3.0 1,-0.2 5,-0.3 0.945 109.9 45.5 -61.5 -50.0 46.6 12.3 13.8 70 76 A F H X S+ 0 0 0 -4,-2.2 4,-2.0 1,-0.2 -1,-0.2 0.819 110.1 57.5 -62.3 -32.2 45.3 12.5 10.2 71 77 A E H < S+ 0 0 117 -4,-1.8 -1,-0.2 -5,-0.2 -2,-0.2 0.926 114.3 35.5 -64.9 -45.9 48.9 12.4 9.0 72 78 A Y H < S+ 0 0 121 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.860 126.9 38.6 -77.3 -35.2 49.5 9.0 10.8 73 79 A G H < S- 0 0 8 -4,-3.0 -2,-0.2 -5,-0.2 -3,-0.2 0.655 118.4-104.0 -90.5 -14.1 46.1 7.6 10.2 74 80 A G < - 0 0 15 -4,-2.0 5,-0.2 -5,-0.3 -3,-0.2 0.297 33.7 -89.5 97.3 131.9 45.6 8.9 6.7 75 81 A F > - 0 0 38 -4,-0.1 3,-2.2 1,-0.1 4,-0.2 -0.391 68.3 -57.8 -72.6 147.1 43.4 11.9 5.6 76 82 A P T 3 S+ 0 0 12 0, 0.0 -1,-0.1 0, 0.0 4,-0.1 -0.403 120.8 27.9 -60.7 149.3 39.8 11.2 4.7 77 83 A P T 3 S+ 0 0 70 0, 0.0 -2,-0.1 0, 0.0 3,-0.0 -0.918 108.8 72.3 -93.1 21.5 38.6 9.4 2.7 78 84 A E S < S+ 0 0 156 -3,-2.2 2,-0.3 1,-0.1 -3,-0.1 0.764 113.4 21.3 -62.9 -24.8 41.6 7.1 2.9 79 85 A S S S- 0 0 23 -4,-0.2 2,-0.3 -5,-0.2 -1,-0.1 -0.987 82.2-120.5-142.9 146.8 40.4 6.0 6.4 80 86 A N - 0 0 48 -2,-0.3 -26,-2.6 -28,-0.3 2,-0.3 -0.707 34.7-153.9 -86.2 142.6 37.0 6.1 8.1 81 87 A Y E -gh 54 112B 0 30,-1.7 32,-2.1 -2,-0.3 2,-0.4 -0.915 21.5-175.1-125.4 148.9 37.0 8.1 11.3 82 88 A L E -gh 55 113B 0 -28,-1.9 -26,-2.3 -2,-0.3 2,-0.4 -0.959 13.2-162.0-138.6 113.4 35.0 8.1 14.5 83 89 A F E -gh 56 114B 0 30,-2.3 32,-1.9 -2,-0.4 -26,-0.2 -0.839 11.8-148.3 -99.3 137.5 35.7 10.9 17.1 84 90 A L - 0 0 0 -28,-2.8 157,-0.2 -2,-0.4 2,-0.2 0.297 50.1 -96.4 -88.3 8.3 34.5 10.4 20.7 85 91 A G S S+ 0 0 0 -28,-0.2 -26,-0.4 -29,-0.2 -1,-0.3 -0.485 81.6 99.8 111.9 179.5 33.9 14.1 21.5 86 92 A D + 0 0 2 -28,-0.2 -27,-2.5 -2,-0.2 -26,-2.5 0.987 33.6 153.5 55.8 71.9 35.5 17.1 23.2 87 93 A Y + 0 0 0 -28,-0.2 -26,-2.6 -29,-0.2 2,-0.2 0.699 57.9 53.3 -96.8 -25.5 36.8 19.1 20.2 88 94 A V S S+ 0 0 0 -28,-0.3 -28,-0.2 -27,-0.1 -29,-0.1 -0.615 78.6 44.4-112.2 170.3 36.7 22.4 21.9 89 95 A D S S+ 0 0 0 2,-0.2 2,-2.4 -2,-0.2 40,-0.2 0.245 90.7 40.9 79.1 157.2 38.0 24.1 25.1 90 96 A R S S+ 0 0 114 38,-2.6 -29,-0.1 -29,-0.1 -1,-0.1 -0.269 97.5 83.1 70.7 -55.5 41.4 24.0 26.8 91 97 A G S S- 0 0 15 -2,-2.4 3,-0.4 -31,-0.5 -2,-0.2 -0.365 83.1-124.2 -75.0 165.2 43.4 24.2 23.6 92 98 A K S S+ 0 0 183 1,-0.2 3,-0.2 -31,-0.1 -30,-0.1 0.583 100.1 49.6 -87.7 -9.6 44.1 27.5 21.8 93 99 A Q > + 0 0 16 -32,-1.7 4,-1.8 -33,-0.2 -1,-0.2 -0.345 54.9 141.7-130.1 60.0 42.6 26.6 18.5 94 100 A S H > S+ 0 0 0 -3,-0.4 4,-2.8 1,-0.2 5,-0.3 0.825 73.0 58.5 -65.8 -33.7 39.1 25.2 18.9 95 101 A L H > S+ 0 0 2 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.960 107.5 42.3 -62.9 -54.7 37.8 27.0 15.8 96 102 A E H > S+ 0 0 3 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.931 116.4 52.9 -58.7 -41.4 40.2 25.4 13.3 97 103 A T H X S+ 0 0 0 -4,-1.8 4,-2.0 1,-0.2 -2,-0.2 0.966 114.4 37.3 -58.6 -58.6 39.7 22.1 15.0 98 104 A I H X S+ 0 0 2 -4,-2.8 4,-2.7 1,-0.2 5,-0.2 0.864 115.2 55.3 -66.0 -35.8 35.9 22.0 14.9 99 105 A C H X S+ 0 0 2 -4,-2.7 4,-2.6 -5,-0.3 -1,-0.2 0.950 108.3 47.4 -63.1 -47.2 35.7 23.6 11.5 100 106 A L H X S+ 0 0 0 -4,-2.6 4,-2.2 -5,-0.2 -2,-0.2 0.926 114.0 48.0 -59.8 -44.2 38.0 21.0 9.9 101 107 A L H X S+ 0 0 0 -4,-2.0 4,-1.8 -5,-0.2 -1,-0.2 0.895 113.1 47.4 -64.4 -39.4 36.0 18.2 11.6 102 108 A L H X S+ 0 0 2 -4,-2.7 4,-2.0 2,-0.2 -1,-0.2 0.876 109.9 53.1 -70.0 -36.0 32.7 19.7 10.5 103 109 A A H X S+ 0 0 0 -4,-2.6 4,-2.5 1,-0.2 -2,-0.2 0.915 109.6 48.4 -64.9 -41.7 33.9 20.2 6.9 104 110 A Y H X S+ 0 0 8 -4,-2.2 4,-2.6 1,-0.2 -1,-0.2 0.877 109.2 52.9 -66.6 -36.1 35.0 16.5 6.7 105 111 A K H < S+ 0 0 2 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.885 111.8 46.6 -65.2 -38.5 31.6 15.4 8.1 106 112 A I H < S+ 0 0 16 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.902 116.8 42.6 -71.0 -41.2 29.9 17.4 5.4 107 113 A K H < S+ 0 0 74 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.850 130.2 24.6 -75.2 -33.9 32.1 16.1 2.6 108 114 A Y >X + 0 0 53 -4,-2.6 3,-1.8 -5,-0.2 4,-1.0 -0.478 69.4 163.6-130.3 66.7 32.1 12.5 3.7 109 115 A P T 34 S+ 0 0 40 0, 0.0 -1,-0.1 0, 0.0 -3,-0.1 0.716 78.5 44.7 -57.5 -25.8 28.9 12.0 5.7 110 116 A E T 34 S+ 0 0 138 1,-0.1 3,-0.1 -3,-0.1 -5,-0.1 0.472 119.2 39.1 -99.8 -2.4 29.0 8.2 5.5 111 117 A N T <4 S+ 0 0 65 -3,-1.8 -30,-1.7 1,-0.2 2,-0.4 0.296 108.3 60.9-127.5 6.2 32.7 7.8 6.3 112 118 A F E < -h 81 0B 0 -4,-1.0 2,-0.4 -32,-0.2 -30,-0.2 -0.997 61.9-176.0-138.6 129.2 33.3 10.4 9.0 113 119 A F E -h 82 0B 21 -32,-2.1 -30,-2.3 -2,-0.4 2,-0.4 -0.978 11.2-168.7-134.1 145.3 31.6 10.5 12.3 114 120 A L E -h 83 0B 2 -2,-0.4 2,-0.2 -32,-0.2 -30,-0.2 -0.997 7.8-162.6-131.8 128.3 31.6 12.8 15.4 115 121 A L - 0 0 0 -32,-1.9 2,-0.4 -2,-0.4 40,-0.2 -0.620 30.9 -97.7-103.0 167.4 30.0 12.0 18.8 116 122 A R - 0 0 0 38,-1.8 51,-0.4 -2,-0.2 2,-0.2 -0.693 34.7-165.3 -88.6 136.3 29.1 14.5 21.5 117 123 A G > - 0 0 0 -2,-0.4 3,-1.9 50,-0.1 -32,-0.1 -0.714 39.4-101.0-110.6 169.5 31.5 15.1 24.3 118 124 A N T 3 S+ 0 0 3 81,-0.5 6,-0.2 1,-0.3 3,-0.1 0.680 121.5 61.9 -66.3 -14.5 30.7 16.9 27.6 119 125 A H T 3 S+ 0 0 16 1,-0.2 2,-1.2 5,-0.1 -1,-0.3 0.564 80.3 81.3 -87.0 -7.5 32.4 20.0 26.2 120 126 A E S < S+ 0 0 0 -3,-1.9 2,-0.3 30,-0.1 -1,-0.2 -0.383 76.3 99.5 -91.7 55.8 30.0 20.3 23.3 121 127 A C S >> S- 0 0 4 -2,-1.2 4,-2.9 -3,-0.1 3,-0.9 -0.992 76.3-132.2-143.4 131.0 27.6 22.0 25.7 122 128 A A H 3> S+ 0 0 20 -2,-0.3 4,-1.3 1,-0.2 5,-0.2 0.886 104.9 52.7 -53.5 -45.1 27.1 25.7 26.0 123 129 A S H 34 S+ 0 0 68 1,-0.2 4,-0.5 2,-0.2 -1,-0.2 0.784 116.2 40.9 -67.0 -23.2 27.4 25.9 29.8 124 130 A I H X> S+ 0 0 27 -3,-0.9 4,-2.2 2,-0.2 3,-0.9 0.908 115.8 45.2 -89.4 -48.7 30.7 24.1 29.7 125 131 A N H 3< S+ 0 0 0 -4,-2.9 6,-2.3 1,-0.2 4,-0.4 0.634 102.5 69.5 -73.4 -4.4 32.4 25.7 26.7 126 132 A R T 3< S+ 0 0 119 -4,-1.3 -1,-0.2 -5,-0.3 3,-0.2 0.898 111.8 30.9 -74.0 -35.3 31.2 29.0 28.1 127 133 A I T <4 S+ 0 0 108 -3,-0.9 -2,-0.2 -4,-0.5 -1,-0.1 0.884 114.8 55.4 -88.7 -46.9 33.7 28.5 30.9 128 134 A Y S < S- 0 0 100 -4,-2.2 -38,-2.6 -9,-0.1 -1,-0.2 0.223 117.3 -79.9 -82.4 13.4 36.6 26.5 29.4 129 135 A G S > S+ 0 0 20 -4,-0.4 4,-2.3 -40,-0.2 5,-0.2 -0.135 102.6 92.1 130.0 -48.4 37.7 28.5 26.4 130 136 A F H > S+ 0 0 0 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.877 90.8 51.8 -52.5 -47.1 35.6 28.1 23.3 131 137 A Y H > S+ 0 0 29 -6,-2.3 4,-2.5 1,-0.2 -1,-0.2 0.926 110.8 48.2 -57.7 -46.5 33.3 31.1 24.1 132 138 A D H > S+ 0 0 81 -7,-0.3 4,-2.4 1,-0.2 -1,-0.2 0.881 112.1 49.5 -62.2 -40.5 36.3 33.4 24.7 133 139 A E H X S+ 0 0 3 -4,-2.3 4,-2.4 2,-0.2 5,-0.3 0.944 111.6 48.1 -64.6 -46.2 37.9 32.3 21.4 134 140 A C H X S+ 0 0 0 -4,-2.7 4,-2.5 1,-0.2 5,-0.4 0.921 114.3 46.7 -58.5 -47.3 34.6 32.8 19.5 135 141 A K H < S+ 0 0 122 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.893 114.1 47.3 -62.8 -44.2 34.2 36.3 21.0 136 142 A R H < S+ 0 0 169 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.840 122.8 31.7 -67.5 -40.1 37.8 37.3 20.4 137 143 A R H < S- 0 0 33 -4,-2.4 -2,-0.2 -5,-0.2 -1,-0.2 0.727 140.7 -13.9 -92.8 -27.1 38.0 36.2 16.8 138 144 A Y S < S- 0 0 39 -4,-2.5 2,-0.3 -5,-0.3 -3,-0.2 0.217 94.8 -76.8-136.0 -94.9 34.4 36.7 15.6 139 145 A N > - 0 0 50 -5,-0.4 4,-0.9 1,-0.1 3,-0.4 -0.978 35.6 -91.1-171.0 171.7 31.4 37.3 17.9 140 146 A I H > S+ 0 0 44 -2,-0.3 4,-2.0 1,-0.2 3,-0.3 0.840 114.6 63.3 -64.6 -38.2 28.9 35.8 20.3 141 147 A K H > S+ 0 0 127 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.874 100.8 54.5 -58.3 -33.7 26.2 35.0 17.7 142 148 A L H > S+ 0 0 0 -3,-0.4 4,-1.9 1,-0.2 -1,-0.2 0.886 106.0 51.9 -65.4 -38.3 28.7 32.7 16.0 143 149 A W H X S+ 0 0 31 -4,-0.9 4,-1.8 -3,-0.3 -1,-0.2 0.873 107.8 52.2 -64.0 -39.0 29.1 30.9 19.4 144 150 A K H X S+ 0 0 98 -4,-2.0 4,-1.7 2,-0.2 -1,-0.2 0.867 106.7 52.6 -66.0 -36.5 25.3 30.5 19.6 145 151 A T H X S+ 0 0 13 -4,-1.9 4,-1.9 1,-0.2 -2,-0.2 0.904 106.9 53.2 -65.8 -39.7 25.2 29.0 16.1 146 152 A F H X S+ 0 0 1 -4,-1.9 4,-2.9 1,-0.2 -2,-0.2 0.893 105.6 55.1 -61.9 -37.2 27.9 26.5 17.3 147 153 A T H X S+ 0 0 20 -4,-1.8 4,-2.2 1,-0.2 -1,-0.2 0.903 105.0 51.2 -62.9 -42.0 25.6 25.6 20.2 148 154 A D H < S+ 0 0 77 -4,-1.7 -1,-0.2 2,-0.2 -2,-0.2 0.906 112.6 47.4 -61.1 -42.3 22.7 24.8 17.9 149 155 A C H >< S+ 0 0 1 -4,-1.9 3,-2.1 1,-0.2 -2,-0.2 0.970 110.8 50.8 -62.0 -53.1 25.0 22.5 15.9 150 156 A F H >< S+ 0 0 3 -4,-2.9 3,-1.7 1,-0.3 -2,-0.2 0.819 99.3 65.0 -54.6 -37.5 26.3 20.8 19.0 151 157 A N T 3< S+ 0 0 26 -4,-2.2 36,-1.7 1,-0.3 -1,-0.3 0.512 101.1 52.9 -67.3 -3.7 22.8 20.1 20.4 152 158 A C T < S+ 0 0 0 -3,-2.1 -1,-0.3 34,-0.2 -2,-0.2 0.342 78.7 122.9-113.0 4.9 22.3 17.8 17.4 153 159 A L < - 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0 0 0 -32,-2.0 2,-0.4 -2,-0.4 40,-0.2 -0.588 30.0 -98.7-101.0 168.5 92.1 25.4 12.1 410 122 B R - 0 0 0 38,-1.4 51,-0.4 -2,-0.2 2,-0.2 -0.731 35.2-166.7 -91.4 136.9 89.5 28.0 13.3 411 123 B G > - 0 0 0 -2,-0.4 3,-1.4 50,-0.1 -32,-0.1 -0.660 39.7-100.7-112.4 172.3 89.0 28.7 17.0 412 124 B N T 3 S+ 0 0 2 81,-0.5 6,-0.2 1,-0.3 7,-0.2 0.729 121.8 59.8 -68.0 -16.9 86.2 30.5 18.6 413 125 B H T 3 S+ 0 0 15 1,-0.2 2,-1.5 5,-0.1 -1,-0.3 0.598 82.1 79.9 -85.3 -11.6 88.5 33.5 18.9 414 126 B E S < S+ 0 0 0 -3,-1.4 2,-0.3 30,-0.1 -1,-0.2 -0.427 79.2 98.8 -89.5 57.7 89.0 33.8 15.2 415 127 B C S >> S- 0 0 5 -2,-1.5 4,-2.8 1,-0.1 3,-1.5 -0.959 77.0-131.5-148.7 127.4 85.6 35.5 15.1 416 128 B A H 3> S+ 0 0 21 -2,-0.3 4,-1.3 1,-0.3 5,-0.2 0.841 104.6 52.5 -46.8 -50.1 85.0 39.3 15.0 417 129 B S H 34 S+ 0 0 69 1,-0.2 4,-0.4 2,-0.2 -1,-0.3 0.751 117.0 40.3 -65.0 -21.3 82.4 39.5 17.8 418 130 B I H X> S+ 0 0 26 -3,-1.5 4,-2.4 -6,-0.2 3,-0.9 0.898 115.6 46.0 -91.7 -50.2 84.8 37.7 20.1 419 131 B N H 3< S+ 0 0 0 -4,-2.8 6,-2.6 1,-0.3 4,-0.3 0.614 103.3 67.0 -72.5 -4.5 88.1 39.2 19.2 420 132 B R T 3< S+ 0 0 119 -4,-1.3 -1,-0.3 -5,-0.3 6,-0.2 0.880 112.7 32.7 -75.9 -36.9 86.4 42.6 19.4 421 133 B I T <4 S+ 0 0 107 -3,-0.9 -2,-0.2 -4,-0.4 -3,-0.1 0.909 115.6 52.4 -85.7 -49.2 86.1 42.0 23.1 422 134 B Y S < S- 0 0 98 -4,-2.4 -38,-3.0 1,-0.1 -1,-0.1 0.181 118.0 -76.9 -85.8 17.7 89.1 40.0 24.2 423 135 B G S > S+ 0 0 22 -4,-0.3 4,-2.2 -40,-0.2 5,-0.2 -0.137 103.8 89.6 129.7 -46.6 92.1 41.9 22.9 424 136 B F H > S+ 0 0 0 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.882 91.0 51.4 -57.3 -46.2 92.8 41.6 19.2 425 137 B Y H > S+ 0 0 32 -6,-2.6 4,-2.5 1,-0.2 -1,-0.2 0.959 112.0 47.5 -56.5 -51.1 90.6 44.6 18.2 426 138 B D H > S+ 0 0 87 -7,-0.3 4,-2.2 -6,-0.2 -1,-0.2 0.874 111.6 51.3 -58.6 -40.1 92.3 46.8 20.7 427 139 B E H X S+ 0 0 7 -4,-2.2 4,-2.2 2,-0.2 5,-0.3 0.919 111.5 45.7 -65.0 -45.2 95.8 45.6 19.6 428 140 B C H X S+ 0 0 0 -4,-2.6 4,-2.9 1,-0.2 -2,-0.2 0.919 113.4 50.6 -63.7 -43.5 95.1 46.3 15.9 429 141 B K H < S+ 0 0 123 -4,-2.5 -2,-0.2 -5,-0.2 -1,-0.2 0.901 113.6 44.1 -61.1 -44.2 93.6 49.7 16.7 430 142 B R H < S+ 0 0 168 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.864 124.8 31.6 -71.0 -39.2 96.6 50.8 18.8 431 143 B R H < S- 0 0 30 -4,-2.2 -2,-0.2 -5,-0.2 -3,-0.2 0.772 141.7 -15.1 -91.3 -29.1 99.3 49.6 16.5 432 144 B Y S < S- 0 0 38 -4,-2.9 2,-0.3 -5,-0.3 -3,-0.2 0.227 95.1 -72.6-135.8 -99.4 97.6 50.0 13.1 433 145 B N >> - 0 0 50 -5,-0.1 4,-1.3 1,-0.1 3,-0.7 -0.989 32.3 -97.2-167.9 166.9 93.9 50.6 12.6 434 146 B I H 3> S+ 0 0 49 -2,-0.3 4,-1.9 1,-0.2 5,-0.2 0.835 116.0 64.3 -57.8 -35.9 90.3 49.2 12.5 435 147 B K H 3> S+ 0 0 117 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.872 100.6 49.4 -59.4 -38.3 90.6 48.7 8.8 436 148 B L H <> S+ 0 0 0 -3,-0.7 4,-2.1 1,-0.2 -1,-0.2 0.877 106.6 56.8 -69.5 -35.8 93.4 46.1 9.2 437 149 B W H X S+ 0 0 26 -4,-1.3 4,-2.4 1,-0.2 -1,-0.2 0.898 104.8 51.7 -61.6 -39.7 91.3 44.4 11.8 438 150 B K H X S+ 0 0 135 -4,-1.9 4,-2.0 1,-0.2 -1,-0.2 0.860 106.2 54.6 -66.7 -31.3 88.5 44.0 9.2 439 151 B T H X S+ 0 0 20 -4,-1.4 4,-1.5 2,-0.2 -1,-0.2 0.917 109.0 48.3 -66.3 -42.6 91.0 42.5 6.8 440 152 B F H X S+ 0 0 0 -4,-2.1 4,-3.1 1,-0.2 5,-0.2 0.916 107.3 55.2 -62.6 -45.7 91.9 39.9 9.4 441 153 B T H X S+ 0 0 20 -4,-2.4 4,-2.1 1,-0.2 -1,-0.2 0.922 106.8 50.8 -54.5 -45.8 88.2 39.1 10.1 442 154 B D H < S+ 0 0 55 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.854 112.3 46.9 -61.2 -37.4 87.7 38.4 6.4 443 155 B C H >< S+ 0 0 2 -4,-1.5 3,-2.0 1,-0.2 -2,-0.2 0.938 110.0 52.9 -69.0 -47.8 90.7 36.1 6.4 444 156 B F H >< S+ 0 0 3 -4,-3.1 3,-1.7 1,-0.3 -2,-0.2 0.837 99.1 64.5 -56.6 -36.0 89.5 34.3 9.6 445 157 B N T 3< S+ 0 0 26 -4,-2.1 36,-1.8 1,-0.3 -1,-0.3 0.602 100.9 52.4 -65.8 -11.1 86.1 33.7 8.0 446 158 B C T < S+ 0 0 0 -3,-2.0 -1,-0.3 34,-0.2 -2,-0.2 0.311 80.0 123.8-107.0 4.7 87.8 31.4 5.5 447 159 B L < - 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