==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=3-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 12-MAR-07 2P4D . COMPND 2 MOLECULE: DUAL SPECIFICITY PROTEIN PHOSPHATASE; . SOURCE 2 ORGANISM_SCIENTIFIC: VARIOLA VIRUS; . AUTHOR J.PHAN,J.E.TROPEA,D.S.WAUGH . 163 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9053.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 104 63.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 15 9.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 3 1.8 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 . 1 0.6 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 . 11 6.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 10 6.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 57 35.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 1.2 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 1 0 0 1 0 1 0 1 1 0 1 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 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 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 5 A S > 0 0 140 0, 0.0 4,-1.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -16.8 66.7 -14.9 37.7 2 6 A L H > + 0 0 81 2,-0.2 4,-2.6 3,-0.1 5,-0.2 0.802 360.0 51.6 -86.0 -36.9 68.3 -13.2 34.7 3 7 A Y H > S+ 0 0 157 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.897 111.1 48.5 -59.9 -42.8 66.7 -15.8 32.4 4 8 A K H > S+ 0 0 143 2,-0.2 4,-2.3 1,-0.2 5,-0.3 0.927 111.1 50.4 -63.4 -45.6 63.4 -15.0 34.1 5 9 A Y H X S+ 0 0 60 -4,-1.1 4,-2.4 1,-0.2 -2,-0.2 0.940 113.7 43.9 -55.1 -49.7 63.9 -11.3 33.6 6 10 A L H X S+ 0 0 5 -4,-2.6 4,-1.7 1,-0.2 -2,-0.2 0.899 112.6 51.8 -69.3 -41.8 64.7 -11.6 29.9 7 11 A L H X S+ 0 0 115 -4,-2.5 4,-0.6 2,-0.2 -1,-0.2 0.890 112.5 44.4 -65.7 -38.1 61.9 -14.0 29.2 8 12 A L H ><>S+ 0 0 85 -4,-2.3 5,-1.9 1,-0.2 3,-1.0 0.942 114.5 49.8 -69.8 -42.8 59.2 -11.8 30.8 9 13 A R H 3<5S+ 0 0 50 -4,-2.4 3,-0.5 -5,-0.3 -2,-0.2 0.822 112.4 49.2 -58.5 -32.2 60.7 -8.7 29.1 10 14 A S H 3<5S+ 0 0 50 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.488 108.3 51.6 -92.0 -7.6 60.6 -10.5 25.7 11 15 A T T <<5S- 0 0 110 -3,-1.0 -1,-0.2 -4,-0.6 -2,-0.2 0.126 135.4 -56.8-124.9 21.1 57.0 -11.8 25.9 12 16 A G T 5S+ 0 0 68 -3,-0.5 -3,-0.2 -4,-0.3 -2,-0.1 0.405 100.5 110.2 133.9 4.0 55.1 -8.6 26.7 13 17 A D < + 0 0 84 -5,-1.9 2,-0.4 -6,-0.1 -4,-0.1 -0.098 42.0 133.0 -96.4 29.0 56.4 -7.1 29.9 14 18 A X - 0 0 83 -5,-0.1 3,-0.1 -6,-0.1 2,-0.1 -0.688 52.6-125.4 -80.3 135.8 58.1 -3.9 28.4 15 19 A R - 0 0 166 -2,-0.4 2,-0.1 1,-0.1 3,-0.1 -0.304 34.3 -87.2 -70.9 157.4 57.4 -0.5 30.0 16 20 A R - 0 0 185 1,-0.1 -1,-0.1 -2,-0.1 2,-0.1 -0.445 58.1 -99.6 -61.0 138.9 56.1 2.5 28.2 17 21 A A - 0 0 44 -2,-0.1 2,-0.3 -3,-0.1 130,-0.2 -0.357 41.4-172.4 -68.3 142.9 59.1 4.5 26.7 18 22 A K - 0 0 110 128,-1.6 -3,-0.0 -3,-0.1 -1,-0.0 -0.963 33.0 -97.5-132.9 148.6 60.4 7.6 28.6 19 23 A S - 0 0 107 -2,-0.3 90,-0.1 127,-0.1 91,-0.0 -0.466 44.5-113.6 -65.5 133.0 63.0 10.1 27.4 20 24 A P - 0 0 7 0, 0.0 126,-0.1 0, 0.0 125,-0.1 -0.241 33.2-174.2 -60.1 157.1 66.5 9.3 28.8 21 25 A T + 0 0 105 1,-0.4 13,-0.3 124,-0.2 16,-0.2 0.566 53.6 31.9-119.9 -88.3 67.9 11.9 31.3 22 26 A I S S- 0 0 132 1,-0.1 -1,-0.4 11,-0.1 15,-0.0 -0.256 89.9 -90.4 -75.4 158.3 71.5 11.5 32.6 23 27 A X - 0 0 39 -3,-0.1 2,-0.5 10,-0.1 10,-0.2 -0.315 37.9-139.5 -55.3 151.2 74.4 10.1 30.7 24 28 A T E -A 32 0A 16 8,-2.7 8,-2.5 -2,-0.0 2,-0.5 -0.971 3.7-141.3-120.9 122.5 75.0 6.3 31.0 25 29 A R E +A 31 0A 142 -2,-0.5 6,-0.3 6,-0.2 3,-0.1 -0.641 23.9 174.2 -76.1 124.1 78.5 4.9 31.3 26 30 A V + 0 0 31 4,-2.8 2,-0.2 -2,-0.5 5,-0.2 0.780 62.5 4.4-103.4 -32.6 78.6 1.7 29.3 27 31 A T S S- 0 0 32 3,-1.7 -1,-0.1 0, 0.0 94,-0.0 -0.760 96.8 -74.8-132.2-174.6 82.3 0.7 29.4 28 32 A N S S+ 0 0 88 -2,-0.2 68,-0.0 1,-0.2 -3,-0.0 0.912 129.2 7.8 -49.6 -44.9 85.4 2.0 31.2 29 33 A N S S+ 0 0 9 63,-0.1 73,-2.7 71,-0.1 2,-0.5 0.477 110.0 89.6-116.9 -5.6 85.7 4.9 28.7 30 34 A V E - b 0 102A 0 71,-0.2 -4,-2.8 73,-0.1 -3,-1.7 -0.858 48.5-178.4-110.1 131.3 82.5 4.9 26.6 31 35 A Y E -Ab 25 103A 28 71,-2.4 73,-2.8 -2,-0.5 2,-0.4 -0.876 16.4-144.4-126.9 149.2 79.3 6.8 27.6 32 36 A L E +Ab 24 104A 0 -8,-2.5 -8,-2.7 -2,-0.3 2,-0.3 -0.958 35.3 141.6-115.2 133.1 75.9 7.2 25.9 33 37 A G E - b 0 105A 0 71,-2.3 73,-1.0 -2,-0.4 2,-0.1 -0.906 40.2-106.1-156.4-171.8 73.9 10.4 26.1 34 38 A N > - 0 0 23 -13,-0.3 4,-1.8 -2,-0.3 74,-0.2 -0.376 52.3 -80.4-112.7-168.7 71.6 13.0 24.5 35 39 A Y H > S+ 0 0 79 72,-2.5 4,-2.4 1,-0.2 5,-0.2 0.919 128.0 52.1 -68.6 -40.3 72.2 16.6 23.2 36 40 A K H > S+ 0 0 137 71,-0.4 4,-1.8 1,-0.2 -1,-0.2 0.914 107.8 52.9 -61.6 -40.8 72.1 18.2 26.6 37 41 A N H > S+ 0 0 18 1,-0.2 4,-0.5 2,-0.2 -1,-0.2 0.891 109.2 50.0 -59.4 -40.7 74.8 15.7 27.9 38 42 A A H >< S+ 0 0 0 -4,-1.8 3,-1.1 1,-0.2 -2,-0.2 0.920 108.0 51.9 -64.8 -44.2 77.0 16.7 24.9 39 43 A X H 3< S+ 0 0 76 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.825 114.2 45.6 -59.7 -32.5 76.5 20.4 25.7 40 44 A N H >< S+ 0 0 71 -4,-1.8 3,-0.9 -5,-0.2 4,-0.4 0.510 85.7 94.7 -87.9 -4.2 77.6 19.6 29.2 41 45 A A G X< S+ 0 0 3 -3,-1.1 3,-1.6 -4,-0.5 7,-0.5 0.870 77.9 57.7 -58.3 -42.1 80.6 17.4 28.2 42 46 A P G 3 S+ 0 0 57 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.834 111.6 44.0 -59.2 -28.8 83.2 20.3 28.5 43 47 A S G < S+ 0 0 95 -3,-0.9 2,-0.3 -4,-0.2 -2,-0.2 0.353 88.9 114.9 -97.4 7.7 82.2 20.8 32.1 44 48 A S X - 0 0 42 -3,-1.6 3,-1.5 -4,-0.4 4,-0.3 -0.577 66.0-139.0 -83.1 139.7 82.1 17.1 33.1 45 49 A E T 3 S+ 0 0 170 -2,-0.3 -1,-0.1 1,-0.3 -4,-0.0 0.542 93.9 84.2 -72.6 -6.3 84.5 15.7 35.6 46 50 A V T 3 S- 0 0 35 -5,-0.1 -1,-0.3 1,-0.0 -5,-0.0 0.787 94.5-135.2 -59.5 -28.8 84.8 12.6 33.4 47 51 A K < - 0 0 138 -3,-1.5 -2,-0.1 -6,-0.3 -6,-0.0 0.977 21.7-152.0 67.6 60.3 87.4 14.5 31.3 48 52 A F - 0 0 11 -7,-0.5 54,-0.2 -4,-0.3 -1,-0.1 -0.369 22.4-176.4 -61.7 138.0 86.1 13.6 27.8 49 53 A K S S+ 0 0 114 52,-2.7 18,-2.7 1,-0.3 2,-0.3 0.663 72.3 24.7 -99.1 -32.9 88.7 13.6 25.0 50 54 A Y E -cd 67 102A 41 51,-1.9 53,-1.7 16,-0.2 2,-0.4 -0.961 55.7-162.6-132.8 151.4 86.2 12.9 22.2 51 55 A V E -cd 68 103A 0 16,-2.0 18,-3.0 -2,-0.3 2,-0.8 -0.997 13.8-150.4-128.9 130.2 82.5 13.3 21.5 52 56 A L E -cd 69 104A 1 51,-3.0 53,-2.4 -2,-0.4 2,-0.7 -0.885 14.8-160.6 -99.6 103.1 80.9 11.3 18.7 53 57 A N E +cd 70 105A 0 16,-2.9 18,-2.5 -2,-0.8 53,-0.2 -0.797 17.3 174.4 -89.9 108.5 78.1 13.5 17.4 54 58 A L + 0 0 0 51,-2.7 19,-1.7 -2,-0.7 52,-0.2 0.275 44.1 109.6 -99.0 8.0 75.5 11.4 15.5 55 59 A T S S- 0 0 6 50,-0.2 16,-0.1 2,-0.2 19,-0.1 -0.269 84.0-105.2 -76.3 174.8 73.0 14.3 14.9 56 60 A X S S+ 0 0 121 16,-0.2 2,-0.4 2,-0.0 -1,-0.1 0.639 96.8 63.2 -78.8 -12.6 72.4 15.8 11.5 57 61 A D S S- 0 0 120 0, 0.0 -2,-0.2 0, 0.0 2,-0.2 -0.904 76.1-126.4-122.2 143.7 74.3 19.0 12.2 58 62 A K + 0 0 137 -2,-0.4 2,-0.3 12,-0.1 -2,-0.0 -0.505 33.6 175.6 -71.5 144.3 77.9 19.9 13.0 59 63 A Y - 0 0 25 -2,-0.2 2,-0.3 -6,-0.0 -6,-0.1 -0.947 17.6-139.7-137.4 169.2 78.3 21.9 16.2 60 64 A T - 0 0 99 -2,-0.3 0, 0.0 0, 0.0 0, 0.0 -0.826 8.9-137.3-121.8 163.5 81.4 23.2 18.1 61 65 A L > - 0 0 18 -2,-0.3 3,-1.1 3,-0.2 5,-0.1 -0.895 18.7-155.1-124.5 101.4 82.3 23.5 21.8 62 66 A P T 3 S+ 0 0 131 0, 0.0 -1,-0.2 0, 0.0 0, 0.0 0.824 84.8 31.3 -45.1 -66.4 84.0 26.9 22.5 63 67 A N T 3 S+ 0 0 162 2,-0.0 2,-0.3 0, 0.0 -2,-0.0 0.602 104.5 100.7 -71.1 -7.8 86.1 26.5 25.7 64 68 A S < - 0 0 24 -3,-1.1 -3,-0.2 1,-0.1 -21,-0.0 -0.575 56.1-162.9-103.1 141.5 86.8 22.9 25.0 65 69 A N + 0 0 170 -2,-0.3 -1,-0.1 -23,-0.1 -2,-0.0 0.313 54.0 132.6 -89.9 6.0 89.7 21.0 23.6 66 70 A I - 0 0 25 -5,-0.1 2,-0.7 1,-0.1 -16,-0.2 -0.305 60.1-128.3 -54.1 138.5 87.4 18.0 23.0 67 71 A N E -c 50 0A 83 -18,-2.7 -16,-2.0 2,-0.0 2,-0.6 -0.843 23.8-156.3 -92.6 112.3 87.7 16.5 19.5 68 72 A I E -c 51 0A 43 -2,-0.7 2,-0.5 -18,-0.2 -16,-0.2 -0.839 4.1-161.2 -97.0 119.8 84.1 16.3 18.1 69 73 A I E -c 52 0A 47 -18,-3.0 -16,-2.9 -2,-0.6 2,-0.6 -0.880 7.7-150.5-103.2 123.0 83.6 13.7 15.4 70 74 A H E +c 53 0A 60 -2,-0.5 -16,-0.2 -18,-0.2 -12,-0.1 -0.875 26.3 161.8-102.8 115.9 80.6 14.2 13.3 71 75 A I - 0 0 38 -18,-2.5 2,-0.3 -2,-0.6 -2,-0.0 -0.828 28.3-150.1-128.0 88.9 78.8 11.1 11.7 72 76 A P - 0 0 58 0, 0.0 2,-0.3 0, 0.0 -17,-0.2 -0.508 17.6-173.8 -65.9 120.3 75.3 12.2 10.7 73 77 A L - 0 0 3 -19,-1.7 2,-0.6 -2,-0.3 39,-0.1 -0.870 21.3-128.2-110.4 148.4 73.0 9.2 10.9 74 78 A V - 0 0 47 -2,-0.3 2,-1.9 6,-0.2 5,-0.2 -0.879 10.0-149.3-102.3 119.8 69.3 9.3 9.7 75 79 A D + 0 0 69 -2,-0.6 2,-0.2 2,-0.1 -1,-0.0 -0.522 59.6 102.3 -87.2 74.0 66.7 8.1 12.3 76 80 A D S S- 0 0 60 -2,-1.9 78,-0.1 3,-0.1 77,-0.1 -0.778 80.3-102.4-139.4-172.0 64.2 6.7 9.9 77 81 A T S S+ 0 0 88 -2,-0.2 -2,-0.1 1,-0.1 3,-0.0 0.414 107.4 45.7-103.1 9.6 63.2 3.2 8.8 78 82 A T S S+ 0 0 121 2,-0.1 2,-0.2 -4,-0.1 -1,-0.1 0.689 84.9 96.9-114.9 -22.9 64.7 3.0 5.3 79 83 A T S S- 0 0 50 -5,-0.2 2,-0.2 1,-0.1 -3,-0.1 -0.428 70.3-120.0 -85.4 137.7 68.3 4.3 5.7 80 84 A D + 0 0 57 -2,-0.2 -6,-0.2 1,-0.1 -1,-0.1 -0.530 34.0 165.7 -72.7 136.9 71.3 2.1 6.1 81 85 A I > + 0 0 1 -2,-0.2 3,-1.7 -8,-0.1 4,-0.4 0.391 60.5 88.8-118.4 -8.2 73.5 2.5 9.3 82 86 A S G > S+ 0 0 52 1,-0.3 3,-1.2 2,-0.2 4,-0.5 0.785 73.1 69.7 -64.4 -26.9 75.4 -0.8 8.9 83 87 A K G 3 S+ 0 0 140 1,-0.3 4,-0.3 2,-0.1 -1,-0.3 0.640 101.9 49.2 -64.1 -15.9 78.1 0.8 6.7 84 88 A Y G <> S+ 0 0 74 -3,-1.7 4,-2.6 2,-0.1 5,-0.3 0.588 85.3 90.2 -95.2 -15.9 79.3 2.6 9.9 85 89 A F H <> S+ 0 0 0 -3,-1.2 4,-3.0 -4,-0.4 5,-0.3 0.931 89.4 40.8 -51.9 -58.0 79.4 -0.3 12.3 86 90 A D H > S+ 0 0 92 -4,-0.5 4,-2.0 1,-0.2 -1,-0.2 0.906 117.3 46.8 -62.1 -41.5 83.0 -1.5 11.9 87 91 A D H > S+ 0 0 128 -4,-0.3 4,-1.7 2,-0.2 -1,-0.2 0.911 116.4 46.2 -67.5 -39.1 84.6 2.0 11.7 88 92 A V H X S+ 0 0 4 -4,-2.6 4,-2.6 2,-0.2 5,-0.2 0.952 113.4 46.1 -70.3 -47.4 82.6 3.1 14.8 89 93 A T H X S+ 0 0 14 -4,-3.0 4,-2.7 -5,-0.3 -1,-0.2 0.871 111.7 53.1 -64.4 -35.1 83.3 0.1 16.9 90 94 A A H X S+ 0 0 62 -4,-2.0 4,-1.9 -5,-0.3 -1,-0.2 0.902 110.5 47.1 -65.5 -38.9 87.0 0.2 16.0 91 95 A F H X S+ 0 0 35 -4,-1.7 4,-2.3 2,-0.2 -2,-0.2 0.913 113.9 47.0 -66.2 -44.6 87.2 3.8 17.1 92 96 A L H X S+ 0 0 0 -4,-2.6 4,-2.2 1,-0.2 -2,-0.2 0.920 110.6 52.8 -65.6 -40.0 85.3 3.1 20.4 93 97 A S H X S+ 0 0 36 -4,-2.7 4,-2.3 -5,-0.2 -1,-0.2 0.908 108.2 51.3 -58.8 -42.8 87.5 0.1 21.0 94 98 A K H X S+ 0 0 82 -4,-1.9 4,-2.8 1,-0.2 -2,-0.2 0.910 107.1 52.8 -62.0 -43.1 90.6 2.4 20.5 95 99 A C H X>S+ 0 0 0 -4,-2.3 5,-2.6 1,-0.2 4,-0.7 0.908 111.0 46.7 -57.8 -43.4 89.2 4.9 23.0 96 100 A D H ><5S+ 0 0 29 -4,-2.2 3,-0.5 3,-0.2 -2,-0.2 0.898 113.1 49.5 -65.9 -39.3 88.8 2.1 25.6 97 101 A Q H 3<5S+ 0 0 154 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.896 118.1 39.5 -64.8 -40.6 92.4 0.8 24.8 98 102 A R H 3<5S- 0 0 139 -4,-2.8 -1,-0.2 -5,-0.1 -2,-0.2 0.459 107.8-123.7 -86.7 -2.8 93.9 4.3 25.2 99 103 A N T <<5 + 0 0 100 -4,-0.7 -3,-0.2 -3,-0.5 -4,-0.1 0.939 60.1 147.7 49.6 53.1 91.7 5.3 28.2 100 104 A E < - 0 0 36 -5,-2.6 -1,-0.2 -6,-0.1 -2,-0.1 -0.934 47.5-129.8-115.2 100.4 90.4 8.4 26.3 101 105 A P - 0 0 20 0, 0.0 -52,-2.7 0, 0.0 -51,-1.9 -0.229 28.1-172.0 -58.6 141.9 86.8 9.0 27.5 102 106 A V E -bd 30 50A 0 -73,-2.7 -71,-2.4 -54,-0.2 2,-0.5 -0.998 16.4-150.4-138.7 135.9 84.3 9.4 24.7 103 107 A L E -bd 31 51A 0 -53,-1.7 -51,-3.0 -2,-0.4 2,-0.5 -0.931 9.7-160.5-107.1 124.3 80.6 10.4 24.7 104 108 A V E +bd 32 52A 0 -73,-2.8 -71,-2.3 -2,-0.5 2,-0.3 -0.919 28.4 157.2-103.0 124.7 78.4 9.0 21.9 105 109 A H E -bd 33 53A 0 -53,-2.4 -51,-2.7 -2,-0.5 -50,-0.2 -0.961 29.1-179.6-146.6 156.9 75.2 11.0 21.5 106 110 A C - 0 0 3 -73,-1.0 -68,-0.2 -2,-0.3 -51,-0.2 -0.352 58.8 -74.1-126.1-142.7 72.3 12.0 19.2 107 111 A V S S+ 0 0 79 -73,-0.2 -72,-2.5 -2,-0.2 -71,-0.4 0.942 128.3 15.9 -86.7 -55.2 69.5 14.4 20.0 108 112 A A S S- 0 0 53 -74,-0.2 -74,-0.2 -73,-0.1 -1,-0.1 0.587 98.0-126.1 -89.9 -15.1 67.3 12.3 22.4 109 113 A G S S+ 0 0 0 -76,-0.1 38,-0.1 -90,-0.1 -75,-0.1 0.817 83.3 96.6 72.7 33.6 70.1 9.6 23.1 110 114 A V S S+ 0 0 14 38,-0.1 39,-2.6 -90,-0.1 35,-0.0 0.799 83.4 14.0-114.1 -60.9 67.7 6.8 22.0 111 115 A N S > S+ 0 0 25 3,-0.2 4,-2.3 37,-0.2 5,-0.2 0.959 125.1 32.7 -93.5 -63.4 68.1 5.5 18.4 112 116 A R H > S+ 0 0 27 2,-0.2 4,-1.7 1,-0.2 5,-0.1 0.970 130.4 35.1 -65.0 -52.2 71.2 6.7 16.5 113 117 A S H > S+ 0 0 0 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.908 116.4 55.0 -66.3 -41.1 73.5 6.7 19.6 114 118 A G H > S+ 0 0 0 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.895 108.2 50.8 -57.0 -40.2 71.8 3.7 21.2 115 119 A A H X S+ 0 0 0 -4,-2.3 4,-2.8 2,-0.2 -1,-0.2 0.906 109.4 48.1 -69.0 -40.1 72.4 1.7 18.0 116 120 A X H X S+ 0 0 1 -4,-1.7 4,-2.4 2,-0.2 -1,-0.2 0.900 114.1 47.6 -66.4 -39.2 76.1 2.6 17.8 117 121 A I H X S+ 0 0 0 -4,-2.4 4,-2.7 2,-0.2 -2,-0.2 0.896 111.3 50.7 -67.0 -40.1 76.5 1.7 21.5 118 122 A L H X S+ 0 0 0 -4,-2.6 4,-2.6 -5,-0.2 -2,-0.2 0.950 110.5 50.0 -62.2 -45.0 74.6 -1.6 21.0 119 123 A A H X S+ 0 0 0 -4,-2.8 4,-2.7 1,-0.2 -2,-0.2 0.917 110.8 49.8 -56.9 -49.2 76.9 -2.4 18.0 120 124 A Y H X S+ 0 0 0 -4,-2.4 4,-1.5 2,-0.2 -2,-0.2 0.945 111.3 47.3 -56.2 -48.2 80.0 -1.7 20.2 121 125 A L H X S+ 0 0 20 -4,-2.7 4,-0.7 1,-0.2 3,-0.3 0.923 113.2 49.1 -64.5 -39.1 78.8 -3.9 23.1 122 126 A X H >< S+ 0 0 10 -4,-2.6 3,-0.9 1,-0.2 -1,-0.2 0.911 108.6 54.0 -61.7 -41.8 78.0 -6.7 20.5 123 127 A S H 3< S+ 0 0 48 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.788 109.5 48.4 -64.4 -25.5 81.4 -6.3 19.0 124 128 A K H 3< S+ 0 0 98 -4,-1.5 2,-0.7 -3,-0.3 -1,-0.2 0.523 83.1 109.5 -93.5 -10.3 83.1 -6.8 22.4 125 129 A N << + 0 0 30 -3,-0.9 8,-0.0 -4,-0.7 -3,-0.0 -0.613 29.2 152.1 -73.7 114.2 81.1 -9.9 23.4 126 130 A K + 0 0 184 -2,-0.7 -1,-0.2 3,-0.0 -4,-0.0 0.600 67.9 40.4-113.9 -18.6 83.5 -12.8 23.3 127 131 A E S S+ 0 0 182 2,-0.1 2,-0.3 3,-0.0 -2,-0.1 0.631 98.9 71.1-110.4 -18.5 82.0 -15.3 25.8 128 132 A S S S- 0 0 55 1,-0.1 -3,-0.0 2,-0.0 0, 0.0 -0.731 86.6 -96.0-107.0 149.6 78.2 -15.3 25.3 129 133 A S > - 0 0 65 -2,-0.3 4,-2.6 1,-0.1 5,-0.2 -0.415 36.4-132.1 -46.9 122.9 75.7 -16.5 22.7 130 134 A P H > S+ 0 0 54 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.865 104.0 53.9 -54.7 -37.5 75.1 -13.4 20.5 131 135 A X H > S+ 0 0 128 2,-0.2 4,-1.9 1,-0.2 5,-0.1 0.945 113.6 40.9 -60.6 -50.5 71.2 -14.0 20.6 132 136 A L H > S+ 0 0 63 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.890 115.3 51.4 -62.1 -44.4 71.1 -14.1 24.4 133 137 A Y H X S+ 0 0 54 -4,-2.6 4,-3.0 1,-0.2 5,-0.3 0.897 107.0 53.8 -66.2 -39.8 73.6 -11.2 24.7 134 138 A F H X S+ 0 0 22 -4,-2.5 4,-2.8 -5,-0.2 5,-0.2 0.939 111.2 45.6 -57.3 -49.0 71.5 -9.1 22.4 135 139 A L H X S+ 0 0 48 -4,-1.9 4,-2.4 1,-0.2 5,-0.3 0.911 114.3 48.8 -61.7 -43.0 68.4 -9.6 24.6 136 140 A Y H X S+ 0 0 90 -4,-2.5 4,-2.3 2,-0.2 5,-0.3 0.949 115.4 41.7 -62.2 -52.8 70.3 -9.0 27.7 137 141 A V H X S+ 0 0 4 -4,-3.0 4,-2.7 2,-0.2 5,-0.3 0.950 116.0 51.3 -60.7 -47.0 72.0 -5.7 26.5 138 142 A Y H X S+ 0 0 11 -4,-2.8 4,-2.4 -5,-0.3 5,-0.2 0.963 116.3 37.0 -56.2 -56.7 68.7 -4.5 24.9 139 143 A H H X S+ 0 0 11 -4,-2.4 4,-2.1 -5,-0.2 -1,-0.2 0.894 117.3 50.8 -69.0 -39.1 66.4 -5.0 27.8 140 144 A S H X S+ 0 0 37 -4,-2.3 4,-2.0 -5,-0.3 -1,-0.2 0.930 113.5 44.5 -64.7 -44.5 68.9 -3.9 30.5 141 145 A X H X S+ 0 0 17 -4,-2.7 4,-2.9 -5,-0.3 5,-0.3 0.878 112.2 52.6 -67.8 -36.5 69.8 -0.7 28.7 142 146 A R H X S+ 0 0 19 -4,-2.4 4,-2.5 -5,-0.3 -1,-0.2 0.909 110.9 47.4 -67.3 -34.7 66.2 0.1 27.9 143 147 A D H < S+ 0 0 53 -4,-2.1 -2,-0.2 -5,-0.2 -1,-0.2 0.895 115.1 45.7 -72.6 -35.7 65.3 -0.3 31.6 144 148 A L H < S+ 0 0 117 -4,-2.0 -2,-0.2 -5,-0.2 -1,-0.2 0.924 124.6 31.5 -70.6 -41.4 68.2 1.8 32.7 145 149 A R H < S- 0 0 13 -4,-2.9 -124,-0.2 -5,-0.1 -2,-0.2 0.757 98.4-123.7 -94.3 -25.4 67.6 4.6 30.2 146 150 A G S < S+ 0 0 21 -4,-2.5 -128,-1.6 -5,-0.3 2,-0.3 -0.076 91.3 26.6 105.9 -35.0 63.9 4.6 29.7 147 151 A A + 0 0 5 -6,-0.2 2,-0.3 -130,-0.2 -131,-0.0 -0.936 65.3 175.1-158.1 142.2 64.1 4.1 25.9 148 152 A F - 0 0 0 -2,-0.3 -37,-0.2 -3,-0.0 -38,-0.1 -0.892 67.3 -19.5-160.4 122.5 66.8 2.4 23.7 149 153 A V + 0 0 0 -39,-2.6 -38,-0.2 -2,-0.3 6,-0.1 0.908 66.1 165.4 40.0 58.1 66.9 1.7 20.0 150 154 A E + 0 0 62 4,-0.0 -1,-0.1 5,-0.0 -39,-0.1 0.780 46.6 102.0 -66.3 -25.4 63.1 2.0 19.6 151 155 A N > - 0 0 8 1,-0.2 4,-1.9 2,-0.1 5,-0.2 -0.397 62.1-159.6 -64.0 113.2 63.9 2.2 15.8 152 156 A P H > S+ 0 0 84 0, 0.0 4,-2.3 0, 0.0 -1,-0.2 0.827 88.5 56.9 -74.7 -24.0 63.0 -1.3 14.4 153 157 A S H > S+ 0 0 3 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.894 107.0 50.5 -63.3 -40.5 65.1 -0.9 11.2 154 158 A F H > S+ 0 0 0 2,-0.2 4,-2.1 1,-0.2 5,-0.2 0.935 110.3 48.7 -64.6 -44.0 68.2 -0.2 13.4 155 159 A K H X S+ 0 0 49 -4,-1.9 4,-2.6 1,-0.2 5,-0.2 0.926 109.6 53.2 -62.5 -40.6 67.5 -3.3 15.5 156 160 A R H X S+ 0 0 118 -4,-2.3 4,-2.6 1,-0.2 -1,-0.2 0.927 109.2 48.4 -58.4 -45.0 67.2 -5.4 12.3 157 161 A Q H X S+ 0 0 5 -4,-2.3 4,-2.0 1,-0.2 -1,-0.2 0.878 111.6 48.9 -67.3 -36.7 70.6 -4.1 11.0 158 162 A I H X S+ 0 0 0 -4,-2.1 4,-2.6 2,-0.2 5,-0.4 0.917 111.7 49.7 -66.2 -43.0 72.3 -4.9 14.3 159 163 A I H X S+ 0 0 73 -4,-2.6 4,-2.3 1,-0.2 -2,-0.2 0.940 110.8 50.1 -62.2 -46.3 70.8 -8.4 14.4 160 164 A E H < S+ 0 0 130 -4,-2.6 -1,-0.2 3,-0.2 -2,-0.2 0.882 116.8 41.8 -59.1 -39.1 71.9 -9.0 10.7 161 165 A K H < S+ 0 0 92 -4,-2.0 -2,-0.2 -5,-0.2 -1,-0.2 0.918 130.1 19.5 -73.2 -46.2 75.5 -7.9 11.5 162 166 A Y H < 0 0 38 -4,-2.6 -3,-0.2 -5,-0.1 -2,-0.2 0.560 360.0 360.0-108.4 -17.7 76.1 -9.5 15.0 163 167 A V < 0 0 87 -4,-2.3 -3,-0.2 -5,-0.4 -32,-0.1 0.766 360.0 360.0-113.4 360.0 73.7 -12.3 15.4