==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=13-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 04-AUG-04 1U7O . COMPND 2 MOLECULE: MAGNESIUM-DEPENDENT PHOSPHATASE-1; . SOURCE 2 ORGANISM_SCIENTIFIC: MUS MUSCULUS; . AUTHOR E.PEISACH,J.D.SELENGUT,D.DUNAWAY-MARIANO,K.N.ALLEN . 162 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8032.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 111 68.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 23 14.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 7 4.3 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 . 2 1.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.6 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 . 10 6.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 16 9.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 46 28.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 1.9 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 0 2 0 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 0 1 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 PARALLEL BRIDGES PER LADDER . 0 1 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 1 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 0 237 0, 0.0 3,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-100.6 56.4 5.2 48.4 2 2 A T - 0 0 78 1,-0.1 156,-0.1 0, 0.0 157,-0.1 0.028 360.0 -69.4 -49.2 152.0 57.9 8.6 49.1 3 3 A R - 0 0 119 155,-0.1 -1,-0.1 1,-0.1 158,-0.1 -0.078 49.0-136.2 -46.7 133.0 56.4 11.0 51.7 4 4 A L - 0 0 69 -3,-0.1 -1,-0.1 1,-0.1 2,-0.1 -0.644 21.5-109.2 -93.0 148.5 53.0 12.5 50.9 5 5 A P - 0 0 6 0, 0.0 113,-0.2 0, 0.0 3,-0.1 -0.410 16.2-135.5 -73.2 156.1 52.2 16.1 51.6 6 6 A K S S+ 0 0 109 111,-2.3 2,-0.3 1,-0.3 112,-0.2 0.530 91.3 24.6 -88.6 -5.4 49.8 16.8 54.4 7 7 A L E -a 118 0A 0 110,-0.9 112,-2.0 56,-0.1 2,-0.6 -0.901 63.7-159.9-160.0 126.3 47.9 19.3 52.3 8 8 A A E -ab 119 65A 0 56,-2.9 58,-2.5 -2,-0.3 2,-0.4 -0.948 17.7-164.9-109.5 121.1 47.5 19.7 48.5 9 9 A V E -ab 120 66A 0 110,-3.1 112,-2.4 -2,-0.6 2,-0.4 -0.900 5.3-172.1-111.9 135.7 46.4 23.1 47.4 10 10 A F E -ab 121 67A 0 56,-2.3 58,-2.1 -2,-0.4 112,-0.2 -0.951 17.9-141.8-124.3 143.4 45.0 24.1 44.0 11 11 A D - 0 0 10 110,-1.8 58,-0.2 -2,-0.4 5,-0.1 -0.415 19.7-140.3 -85.4 177.4 44.2 27.4 42.4 12 12 A L S >>>S+ 0 0 0 3,-0.2 4,-2.5 -2,-0.1 3,-2.0 0.835 73.1 75.9-105.5 -61.8 41.1 27.3 40.3 13 13 A D B 345S-e 17 0B 11 1,-0.3 110,-0.4 2,-0.2 7,-0.2 -0.283 118.8 -4.8 -57.6 131.6 41.6 29.3 37.1 14 14 A Y T 345S+ 0 0 60 3,-2.3 130,-0.6 5,-0.9 -1,-0.3 0.747 130.8 69.8 53.1 29.1 43.8 27.6 34.6 15 15 A T T <45S+ 0 0 0 -3,-2.0 130,-2.6 2,-0.5 -2,-0.2 0.476 116.5 10.5-133.3 -59.1 44.3 24.8 37.1 16 16 A L T <5S+ 0 0 0 -4,-2.5 32,-2.0 1,-0.3 35,-0.2 0.723 140.1 26.3 -96.0 -26.9 41.0 23.0 37.4 17 17 A W B >> - 0 0 102 -2,-0.3 4,-2.1 -7,-0.2 3,-1.9 -0.928 29.4-149.8-102.5 118.6 39.3 32.8 34.3 21 21 A V T 345S+ 0 0 1 -2,-0.6 4,-0.2 1,-0.3 -1,-0.1 0.724 98.2 52.9 -63.0 -19.4 36.0 32.5 36.0 22 22 A D T 345S+ 0 0 75 2,-0.1 -1,-0.3 4,-0.1 52,-0.0 0.458 123.6 24.5 -93.6 0.4 35.8 36.3 36.3 23 23 A T T <45S+ 0 0 88 -3,-1.9 -2,-0.2 50,-0.1 -1,-0.0 0.718 118.2 42.8-126.7 -54.4 36.5 36.9 32.6 24 24 A H T <5S+ 0 0 77 -4,-2.1 2,-0.3 2,-0.0 -3,-0.2 0.634 109.0 46.2 -78.0 -18.0 35.6 34.1 30.1 25 25 A V < - 0 0 9 -5,-0.6 -6,-0.0 -4,-0.2 0, 0.0 -0.834 67.7-133.2-127.8 165.6 32.2 33.1 31.5 26 26 A D - 0 0 75 -2,-0.3 14,-2.4 2,-0.1 15,-0.4 -0.841 41.7-119.3-122.0 95.2 29.0 34.6 32.7 27 27 A P S S+ 0 0 37 0, 0.0 2,-0.1 0, 0.0 12,-0.1 -0.179 77.7 72.9 -63.6 164.4 27.6 33.2 36.0 28 28 A P - 0 0 77 0, 0.0 12,-0.7 0, 0.0 2,-0.2 0.558 67.4-162.1 -78.2 167.8 25.3 31.9 37.3 29 29 A F E -F 39 0C 7 10,-0.2 2,-0.3 -2,-0.1 10,-0.2 -0.611 9.0-173.6-108.6 170.6 25.8 28.4 35.9 30 30 A H E -F 38 0C 93 8,-2.0 8,-3.0 -2,-0.2 2,-0.4 -0.977 29.8-102.3-158.0 161.3 23.5 25.4 35.7 31 31 A K E -F 37 0C 148 -2,-0.3 2,-0.3 6,-0.2 6,-0.2 -0.781 34.7-149.9 -92.3 131.8 23.6 21.7 34.7 32 32 A S > - 0 0 38 4,-3.1 3,-1.8 -2,-0.4 4,-0.3 -0.703 23.4-117.7-100.6 153.4 22.1 20.9 31.3 33 33 A S T 3 S+ 0 0 132 1,-0.3 -1,-0.1 -2,-0.3 -2,-0.0 0.733 109.5 71.1 -60.8 -22.6 20.4 17.6 30.4 34 34 A D T 3 S- 0 0 89 1,-0.1 -1,-0.3 2,-0.1 3,-0.1 0.390 122.1-101.3 -77.3 7.1 23.1 17.0 27.8 35 35 A G S < S+ 0 0 73 -3,-1.8 2,-0.2 1,-0.3 -2,-0.2 0.593 86.0 111.5 86.7 12.4 25.5 16.3 30.6 36 36 A T - 0 0 31 -4,-0.3 -4,-3.1 10,-0.0 2,-0.4 -0.647 65.5-121.1-114.8 170.6 27.3 19.7 30.6 37 37 A V E -FG 31 45C 7 8,-0.8 8,-2.7 -6,-0.2 2,-0.3 -0.935 33.2-166.4-109.3 135.1 27.6 22.7 32.8 38 38 A R E -FG 30 44C 60 -8,-3.0 -8,-2.0 -2,-0.4 6,-0.2 -0.910 13.4-133.3-125.0 150.7 26.5 26.0 31.2 39 39 A D E > -F 29 0C 0 4,-1.2 3,-1.7 -2,-0.3 -10,-0.2 -0.484 46.6 -83.1 -94.3 171.9 26.8 29.6 32.1 40 40 A R T 3 S+ 0 0 147 -14,-2.4 -11,-0.1 -12,-0.7 -1,-0.1 0.738 131.1 45.2 -42.8 -34.6 24.1 32.3 32.0 41 41 A R T 3 S- 0 0 167 -15,-0.4 -1,-0.3 2,-0.0 -12,-0.1 0.696 124.1 -97.9 -87.7 -20.8 24.5 32.8 28.3 42 42 A G < + 0 0 37 -3,-1.7 2,-0.2 1,-0.2 -2,-0.1 0.571 65.6 155.2 114.8 14.9 24.7 29.1 27.3 43 43 A Q - 0 0 98 -17,-0.1 -4,-1.2 1,-0.1 2,-1.0 -0.519 48.3-115.8 -77.4 140.5 28.5 28.5 27.1 44 44 A N E -G 38 0C 57 -2,-0.2 2,-0.5 -6,-0.2 -6,-0.2 -0.642 31.3-157.2 -80.4 100.3 29.7 24.9 27.6 45 45 A I E +G 37 0C 5 -8,-2.7 -8,-0.8 -2,-1.0 2,-0.3 -0.660 17.0 176.8 -83.3 122.2 31.9 25.0 30.8 46 46 A Q - 0 0 119 -2,-0.5 2,-0.2 -10,-0.1 -10,-0.0 -0.914 23.8-136.3-128.6 153.7 34.4 22.2 31.1 47 47 A L - 0 0 24 -2,-0.3 -30,-0.3 -30,-0.2 -31,-0.1 -0.522 49.7 -81.1 -94.5 166.4 37.2 21.1 33.4 48 48 A Y > - 0 0 30 -32,-2.0 3,-2.1 -2,-0.2 -1,-0.1 -0.581 57.0-110.5 -65.4 135.5 40.6 19.9 32.3 49 49 A P T 3 S+ 0 0 113 0, 0.0 4,-0.3 0, 0.0 -1,-0.1 0.725 110.7 43.6 -39.1 -42.0 39.7 16.3 31.4 50 50 A E T 3> S+ 0 0 73 95,-0.4 4,-2.2 1,-0.2 5,-0.1 0.406 81.6 101.4 -94.4 6.7 41.7 14.6 34.2 51 51 A V H <> S+ 0 0 0 -3,-2.1 4,-2.4 1,-0.2 5,-0.3 0.905 79.4 53.1 -56.2 -46.1 40.7 16.9 37.1 52 52 A P H > S+ 0 0 56 0, 0.0 4,-2.2 0, 0.0 -1,-0.2 0.939 113.6 43.4 -57.6 -43.3 38.1 14.5 38.6 53 53 A E H > S+ 0 0 116 -4,-0.3 4,-2.1 2,-0.2 -2,-0.2 0.807 108.9 59.0 -70.5 -30.9 40.6 11.7 38.7 54 54 A V H X S+ 0 0 0 -4,-2.2 4,-1.8 2,-0.2 -1,-0.2 0.964 112.1 38.8 -61.8 -51.0 43.3 14.0 40.1 55 55 A L H X S+ 0 0 0 -4,-2.4 4,-2.5 1,-0.2 -2,-0.2 0.879 114.1 55.8 -67.4 -36.7 41.1 14.9 43.1 56 56 A G H X S+ 0 0 15 -4,-2.2 4,-2.3 -5,-0.3 -1,-0.2 0.858 106.4 51.0 -64.0 -34.2 40.0 11.3 43.4 57 57 A R H X S+ 0 0 114 -4,-2.1 4,-1.8 2,-0.2 -1,-0.2 0.915 110.0 48.2 -69.9 -41.4 43.6 10.1 43.6 58 58 A L H <>S+ 0 0 0 -4,-1.8 5,-2.3 2,-0.2 4,-0.4 0.901 111.2 52.0 -65.1 -37.7 44.4 12.6 46.3 59 59 A Q H ><5S+ 0 0 111 -4,-2.5 3,-1.7 1,-0.2 -2,-0.2 0.945 108.6 50.3 -62.0 -46.9 41.2 11.4 48.1 60 60 A S H 3<5S+ 0 0 104 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.833 110.1 50.8 -59.3 -34.3 42.3 7.8 47.8 61 61 A L T 3<5S- 0 0 77 -4,-1.8 -1,-0.3 -5,-0.1 -2,-0.2 0.462 113.0-120.7 -84.0 -1.2 45.7 8.7 49.2 62 62 A G T < 5 + 0 0 60 -3,-1.7 -3,-0.2 -4,-0.4 -2,-0.1 0.664 59.4 153.2 71.5 15.7 44.1 10.5 52.2 63 63 A V < - 0 0 7 -5,-2.3 -1,-0.2 -6,-0.2 -57,-0.1 -0.686 47.4-122.6 -82.9 119.1 45.7 13.8 51.2 64 64 A P - 0 0 49 0, 0.0 -56,-2.9 0, 0.0 2,-0.4 -0.365 28.7-150.2 -60.0 136.3 43.6 16.8 52.4 65 65 A V E +bc 8 90A 3 24,-0.6 26,-3.0 -58,-0.2 27,-0.8 -0.922 19.5 171.4-116.1 136.1 42.7 19.0 49.5 66 66 A A E -bc 9 92A 0 -58,-2.5 -56,-2.3 -2,-0.4 2,-0.4 -0.911 24.2-130.5-137.0 163.8 42.1 22.8 49.6 67 67 A A E -bc 10 93A 0 25,-1.9 27,-2.5 -2,-0.3 2,-0.3 -0.892 14.9-177.1-115.4 145.5 41.6 25.7 47.1 68 68 A A E + c 0 94A 0 -58,-2.1 2,-0.3 -2,-0.4 27,-0.2 -0.825 21.0 162.0-143.9 97.4 43.5 29.0 47.1 69 69 A S E - c 0 95A 0 25,-2.9 27,-2.4 -2,-0.3 -58,-0.0 -0.936 35.1-153.9-123.7 144.3 42.1 31.3 44.4 70 70 A R + 0 0 99 -2,-0.3 28,-0.3 25,-0.2 25,-0.1 0.167 50.9 130.6-101.9 20.1 42.4 35.1 43.9 71 71 A T - 0 0 3 1,-0.1 3,-0.1 26,-0.1 -2,-0.1 -0.314 52.7-151.1 -77.0 154.8 39.2 35.6 41.9 72 72 A S S S+ 0 0 75 1,-0.2 2,-1.9 24,-0.2 3,-0.3 0.632 88.7 80.4 -93.0 -18.7 36.5 38.2 42.5 73 73 A E > + 0 0 48 1,-0.2 4,-2.2 2,-0.1 -1,-0.2 -0.427 55.9 149.7 -87.1 63.3 33.9 35.9 41.0 74 74 A I H > + 0 0 45 -2,-1.9 4,-2.4 2,-0.2 5,-0.2 0.903 66.0 51.9 -62.1 -48.4 33.6 34.0 44.3 75 75 A Q H > S+ 0 0 128 -3,-0.3 4,-2.2 1,-0.2 -1,-0.2 0.917 112.8 46.1 -57.0 -46.7 30.0 32.9 43.9 76 76 A G H > S+ 0 0 0 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.899 109.9 53.1 -65.1 -42.1 30.7 31.6 40.4 77 77 A A H X S+ 0 0 0 -4,-2.2 4,-1.7 1,-0.2 -2,-0.2 0.924 112.9 44.4 -60.3 -44.9 33.8 29.7 41.5 78 78 A N H X S+ 0 0 49 -4,-2.4 4,-2.0 1,-0.2 -1,-0.2 0.881 110.3 54.5 -67.8 -38.7 32.0 28.0 44.3 79 79 A Q H X S+ 0 0 67 -4,-2.2 4,-3.1 -5,-0.2 5,-0.2 0.902 107.7 50.7 -62.3 -39.1 29.0 27.2 42.1 80 80 A L H X S+ 0 0 0 -4,-2.2 4,-2.3 1,-0.2 6,-0.2 0.907 107.5 52.9 -64.4 -41.4 31.3 25.5 39.6 81 81 A L H <>S+ 0 0 0 -4,-1.7 5,-3.1 1,-0.2 6,-1.9 0.892 114.8 43.1 -61.1 -37.9 32.9 23.4 42.3 82 82 A E H ><5S+ 0 0 100 -4,-2.0 3,-1.5 3,-0.2 -2,-0.2 0.943 113.2 48.7 -74.2 -48.2 29.4 22.3 43.4 83 83 A L H 3<5S+ 0 0 40 -4,-3.1 -2,-0.2 1,-0.3 -3,-0.2 0.843 112.4 48.6 -61.7 -35.7 27.9 21.6 39.9 84 84 A F T 3<5S- 0 0 44 -4,-2.3 -1,-0.3 -5,-0.2 -2,-0.2 0.414 113.7-122.2 -83.2 2.8 30.9 19.6 38.8 85 85 A D T < 5S+ 0 0 89 -3,-1.5 -3,-0.2 -5,-0.1 -2,-0.1 0.900 79.5 120.6 56.7 44.9 30.6 17.7 42.1 86 86 A L > < + 0 0 3 -5,-3.1 3,-2.2 -6,-0.2 4,-0.4 0.605 46.9 84.4-107.4 -20.4 34.2 18.6 43.1 87 87 A G G > S+ 0 0 5 -6,-1.9 3,-1.5 1,-0.3 -5,-0.1 0.810 77.9 68.4 -52.7 -35.3 33.2 20.4 46.3 88 88 A K G 3 S+ 0 0 124 1,-0.3 -1,-0.3 -7,-0.2 -2,-0.1 0.675 94.8 57.7 -60.0 -19.2 33.1 17.1 48.3 89 89 A Y G < S+ 0 0 45 -3,-2.2 -24,-0.6 -25,-0.0 2,-0.5 0.643 89.6 88.0 -87.4 -14.8 36.9 16.8 47.9 90 90 A F E < -c 65 0A 20 -3,-1.5 -24,-0.2 -4,-0.4 3,-0.1 -0.747 45.8-177.1 -94.6 127.6 37.8 20.1 49.5 91 91 A I E S+ 0 0 100 -26,-3.0 2,-0.3 -2,-0.5 -25,-0.2 0.701 80.6 11.9 -87.8 -21.8 38.4 20.5 53.3 92 92 A Q E -c 66 0A 27 -27,-0.8 -25,-1.9 2,-0.0 2,-0.4 -0.990 61.1-160.7-155.8 146.1 38.9 24.2 52.9 93 93 A R E -c 67 0A 76 -2,-0.3 2,-0.7 -27,-0.2 -25,-0.2 -0.965 3.7-174.2-134.9 118.3 38.4 26.9 50.2 94 94 A E E +c 68 0A 8 -27,-2.5 -25,-2.9 -2,-0.4 2,-0.5 -0.920 21.6 162.0-110.8 102.0 40.1 30.3 50.3 95 95 A I E +c 69 0A 10 -2,-0.7 -25,-0.2 -27,-0.2 -17,-0.1 -0.915 24.7 92.6-129.9 105.3 38.6 32.2 47.3 96 96 A Y S S- 0 0 65 -27,-2.4 -24,-0.2 -2,-0.5 -25,-0.1 -0.924 71.7 -77.9 179.5 158.0 39.0 36.0 47.2 97 97 A P S S+ 0 0 75 0, 0.0 2,-0.2 0, 0.0 -26,-0.1 -0.218 77.8 71.4 -65.7 158.8 41.2 38.8 45.8 98 98 A G S S- 0 0 40 -28,-0.3 2,-0.2 4,-0.0 -2,-0.1 -0.625 91.5 -30.9 124.9 175.5 44.5 39.7 47.5 99 99 A S >> - 0 0 52 -2,-0.2 3,-2.0 1,-0.2 4,-0.7 -0.485 52.8-133.7 -65.8 131.8 48.0 38.3 48.0 100 100 A K H 3> S+ 0 0 0 1,-0.3 4,-2.1 -2,-0.2 5,-0.2 0.613 99.9 80.1 -65.0 -7.9 47.8 34.5 48.0 101 101 A V H 3> S+ 0 0 35 1,-0.2 4,-2.0 2,-0.2 -1,-0.3 0.883 90.5 52.3 -63.9 -35.7 50.0 34.7 51.0 102 102 A T H <> S+ 0 0 62 -3,-2.0 4,-1.6 2,-0.2 -1,-0.2 0.874 105.7 53.3 -68.6 -36.4 46.9 35.5 53.0 103 103 A H H X S+ 0 0 0 -4,-0.7 4,-1.8 1,-0.2 -2,-0.2 0.936 112.1 45.7 -62.0 -46.0 45.1 32.5 51.7 104 104 A F H X S+ 0 0 0 -4,-2.1 4,-3.0 2,-0.2 -2,-0.2 0.827 106.0 57.5 -68.7 -33.3 47.9 30.2 52.7 105 105 A E H X S+ 0 0 109 -4,-2.0 4,-2.4 1,-0.2 -1,-0.2 0.901 110.8 45.2 -64.6 -36.2 48.3 31.7 56.2 106 106 A R H X S+ 0 0 118 -4,-1.6 4,-2.6 2,-0.2 5,-0.3 0.850 112.4 50.4 -74.2 -33.8 44.6 30.8 56.8 107 107 A L H X S+ 0 0 0 -4,-1.8 4,-2.1 2,-0.2 6,-0.4 0.927 113.0 47.3 -66.5 -44.2 45.1 27.3 55.3 108 108 A H H X S+ 0 0 65 -4,-3.0 4,-2.3 1,-0.2 -2,-0.2 0.943 114.3 47.6 -59.6 -49.3 48.1 26.9 57.6 109 109 A H H < S+ 0 0 131 -4,-2.4 -2,-0.2 -5,-0.2 -1,-0.2 0.909 116.6 39.2 -61.1 -48.5 46.2 28.2 60.6 110 110 A K H < S+ 0 0 117 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.815 124.3 37.1 -76.1 -31.4 43.0 26.1 60.2 111 111 A T H < S- 0 0 43 -4,-2.1 -2,-0.2 -5,-0.3 -3,-0.2 0.768 93.7-137.8 -90.0 -28.8 44.6 22.9 59.1 112 112 A G < + 0 0 54 -4,-2.3 -4,-0.1 -5,-0.4 -3,-0.1 0.501 53.8 144.1 83.0 3.7 47.6 23.1 61.4 113 113 A V - 0 0 17 -6,-0.4 -1,-0.3 -5,-0.2 -2,-0.1 -0.630 52.5-122.4 -79.3 122.8 49.8 21.9 58.5 114 114 A P > - 0 0 53 0, 0.0 3,-1.8 0, 0.0 -108,-0.2 -0.322 21.1-116.6 -63.7 150.4 53.2 23.5 58.3 115 115 A F G > S+ 0 0 40 1,-0.3 3,-1.6 2,-0.2 22,-0.4 0.842 114.4 60.1 -54.4 -38.5 54.0 25.3 55.1 116 116 A S G 3 S+ 0 0 57 1,-0.3 -1,-0.3 20,-0.2 19,-0.1 0.664 100.4 57.6 -65.7 -16.0 56.9 22.9 54.3 117 117 A Q G < S+ 0 0 11 -3,-1.8 -111,-2.3 -112,-0.1 -110,-0.9 0.173 93.2 89.9-100.2 16.2 54.3 20.1 54.3 118 118 A M E < -a 7 0A 0 -3,-1.6 19,-2.4 -113,-0.2 2,-0.4 -0.862 56.3-159.1-114.8 149.6 52.2 21.6 51.6 119 119 A V E -ad 8 137A 0 -112,-2.0 -110,-3.1 -2,-0.3 2,-0.4 -0.974 14.1-164.1-124.4 138.9 52.3 21.3 47.8 120 120 A F E -ad 9 138A 0 17,-2.9 19,-4.0 -2,-0.4 2,-0.5 -0.989 7.8-159.8-131.2 133.5 50.6 24.0 45.7 121 121 A F E +ad 10 139A 0 -112,-2.4 -110,-1.8 -2,-0.4 2,-0.3 -0.959 27.8 142.4-115.8 125.9 49.6 24.0 42.0 122 122 A D E - d 0 140A 0 17,-1.8 19,-2.2 -2,-0.5 -108,-0.1 -0.983 42.6-148.8-156.2 153.6 49.0 27.2 40.1 123 123 A D S S+ 0 0 36 -110,-0.4 2,-0.7 -2,-0.3 -109,-0.1 0.652 75.3 94.9 -97.7 -20.5 49.7 28.5 36.5 124 124 A E >> - 0 0 77 1,-0.2 4,-1.8 2,-0.0 3,-0.7 -0.637 62.4-156.3 -79.6 112.9 50.2 32.2 37.7 125 125 A N H 3> S+ 0 0 87 -2,-0.7 4,-2.4 1,-0.2 5,-0.2 0.879 91.6 63.5 -53.4 -43.1 53.9 32.9 38.2 126 126 A R H 3> S+ 0 0 106 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.890 107.7 42.0 -48.7 -45.8 53.0 35.8 40.6 127 127 A N H <> S+ 0 0 4 -3,-0.7 4,-2.6 2,-0.2 5,-0.4 0.859 109.2 56.5 -73.4 -37.8 51.4 33.3 43.0 128 128 A I H X S+ 0 0 24 -4,-1.8 4,-1.4 1,-0.2 -2,-0.2 0.897 113.0 43.4 -61.5 -38.5 54.2 30.6 42.7 129 129 A I H X S+ 0 0 60 -4,-2.4 4,-1.3 2,-0.2 -2,-0.2 0.955 114.9 47.0 -71.5 -51.7 56.7 33.3 43.7 130 130 A D H < S+ 0 0 20 -4,-2.3 3,-0.4 -5,-0.2 -2,-0.2 0.928 118.6 39.9 -57.3 -49.7 54.6 34.8 46.6 131 131 A V H ><>S+ 0 0 0 -4,-2.6 3,-2.0 1,-0.2 5,-0.9 0.828 106.1 65.7 -71.0 -32.3 53.6 31.4 48.1 132 132 A G H ><5S+ 0 0 31 -4,-1.4 3,-2.1 -5,-0.4 -1,-0.2 0.833 88.9 66.6 -59.4 -33.2 57.1 29.9 47.6 133 133 A R T 3<5S+ 0 0 182 -4,-1.3 -1,-0.3 -3,-0.4 -2,-0.2 0.591 92.6 64.3 -64.8 -8.5 58.6 32.3 50.0 134 134 A L T < 5S- 0 0 43 -3,-2.0 -1,-0.3 2,-0.1 -2,-0.2 0.558 121.0-105.1 -90.8 -10.0 56.6 30.5 52.7 135 135 A G T < 5S+ 0 0 44 -3,-2.1 2,-0.2 1,-0.3 -17,-0.2 0.472 74.0 143.0 98.1 3.4 58.4 27.2 52.2 136 136 A V < - 0 0 9 -5,-0.9 2,-0.9 -19,-0.1 -1,-0.3 -0.525 60.0-115.0 -75.9 142.3 55.5 25.6 50.3 137 137 A T E -d 119 0A 17 -19,-2.4 -17,-2.9 -22,-0.4 2,-0.5 -0.712 39.1-161.0 -80.5 108.7 56.4 23.3 47.5 138 138 A C E -d 120 0A 30 -2,-0.9 2,-0.7 -19,-0.2 -17,-0.2 -0.818 9.9-159.1 -99.7 129.0 55.0 25.2 44.5 139 139 A I E -d 121 0A 21 -19,-4.0 -17,-1.8 -2,-0.5 2,-0.6 -0.904 9.0-149.1-109.3 109.1 54.3 23.5 41.2 140 140 A H E -d 122 0A 65 -2,-0.7 2,-0.3 -19,-0.2 -17,-0.2 -0.657 25.1-163.9 -77.0 120.8 54.1 25.8 38.2 141 141 A I - 0 0 5 -19,-2.2 2,-0.3 -2,-0.6 4,-0.1 -0.730 16.9-163.5-111.3 159.7 51.7 24.2 35.8 142 142 A R S S+ 0 0 168 2,-0.3 7,-0.1 -2,-0.3 -127,-0.0 -0.979 77.0 14.2-135.5 144.3 50.8 24.7 32.1 143 143 A D S S- 0 0 149 -2,-0.3 -1,-0.1 -20,-0.0 -128,-0.1 0.844 117.3 -86.3 58.8 33.8 47.7 23.4 30.4 144 144 A G S S- 0 0 1 -130,-0.6 -2,-0.3 -3,-0.1 -128,-0.2 0.139 70.8 -30.6 64.5-177.5 46.0 22.8 33.7 145 145 A M + 0 0 4 -130,-2.6 -95,-0.4 -4,-0.1 2,-0.3 -0.433 59.4 162.2 -75.5 148.9 46.1 19.8 36.0 146 146 A S > - 0 0 28 -96,-0.1 4,-2.4 -2,-0.1 5,-0.2 -0.917 55.1 -98.1-153.8 167.6 46.5 16.3 34.8 147 147 A L H > S+ 0 0 29 -2,-0.3 4,-2.8 1,-0.2 5,-0.2 0.869 126.1 52.8 -63.5 -32.7 47.5 13.0 36.5 148 148 A Q H > S+ 0 0 125 2,-0.2 4,-2.6 1,-0.2 5,-0.3 0.934 108.4 48.7 -67.0 -44.6 51.0 13.6 35.2 149 149 A T H > S+ 0 0 20 1,-0.2 4,-1.9 2,-0.2 -2,-0.2 0.915 114.7 47.0 -60.8 -42.2 51.1 17.1 36.7 150 150 A L H X S+ 0 0 0 -4,-2.4 4,-2.1 2,-0.2 -2,-0.2 0.957 113.6 45.0 -64.1 -53.1 49.9 15.7 40.0 151 151 A T H X S+ 0 0 46 -4,-2.8 4,-1.7 1,-0.2 -2,-0.2 0.879 114.0 49.4 -62.8 -37.7 52.2 12.8 40.2 152 152 A Q H X S+ 0 0 99 -4,-2.6 4,-2.3 -5,-0.2 -1,-0.2 0.887 109.6 53.2 -68.2 -36.2 55.3 14.8 39.2 153 153 A G H X S+ 0 0 0 -4,-1.9 4,-2.2 -5,-0.3 -2,-0.2 0.885 106.6 51.7 -64.6 -39.0 54.3 17.4 41.8 154 154 A L H X S+ 0 0 22 -4,-2.1 4,-2.2 2,-0.2 -1,-0.2 0.870 109.9 49.6 -65.6 -36.4 54.2 14.7 44.5 155 155 A E H X S+ 0 0 110 -4,-1.7 4,-2.6 2,-0.2 -2,-0.2 0.911 109.4 51.6 -67.4 -41.4 57.6 13.6 43.5 156 156 A T H X S+ 0 0 62 -4,-2.3 4,-2.0 1,-0.2 -2,-0.2 0.898 109.9 49.9 -61.2 -41.5 58.9 17.1 43.6 157 157 A F H X S+ 0 0 0 -4,-2.2 4,-1.6 2,-0.2 -1,-0.2 0.930 110.0 50.4 -62.2 -47.2 57.4 17.5 47.1 158 158 A A H < S+ 0 0 14 -4,-2.2 4,-0.4 1,-0.2 3,-0.3 0.917 109.6 50.9 -57.6 -45.3 59.1 14.2 48.2 159 159 A K H >< S+ 0 0 151 -4,-2.6 3,-1.2 1,-0.2 -1,-0.2 0.877 108.3 52.4 -60.3 -39.4 62.5 15.4 46.9 160 160 A A H 3< S+ 0 0 56 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.805 100.1 61.7 -67.6 -29.8 62.1 18.7 48.8 161 161 A Q T 3< 0 0 52 -4,-1.6 -1,-0.3 -3,-0.3 -2,-0.2 0.603 360.0 360.0 -71.8 -9.1 61.4 16.8 52.0 162 162 A A < 0 0 117 -3,-1.2 -3,-0.0 -4,-0.4 0, 0.0 -0.476 360.0 360.0-110.1 360.0 64.9 15.4 51.5