==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=5-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 08-MAY-07 2V06 . COMPND 2 MOLECULE: SER-THR PHOSPHATASE MSPP; . SOURCE 2 ORGANISM_SCIENTIFIC: MYCOBACTERIUM SMEGMATIS; . AUTHOR A.WEHENKEL,M.BELLINZONI,F.SCHAEFFER,A.VILLARINO,P.M.ALZARI . 234 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10517.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 158 67.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 56 23.9 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.9 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 . 14 6.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 22 9.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 58 24.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 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 1 0 0 1 1 0 0 0 0 0 1 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 PARALLEL BRIDGES PER LADDER . 2 1 0 4 2 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 ANTIPARALLEL BRIDGES PER LADDER . 0 1 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 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 0 A G 0 0 130 0, 0.0 2,-0.2 0, 0.0 233,-0.0 0.000 360.0 360.0 360.0 173.7 40.2 27.1 5.5 2 1 A M - 0 0 130 1,-0.1 4,-0.1 2,-0.0 2,-0.1 -0.557 360.0-120.7 -90.9 148.7 42.5 25.4 7.9 3 2 A A - 0 0 53 -2,-0.2 231,-0.3 2,-0.2 -1,-0.1 -0.294 32.8-111.8 -67.0 160.3 45.0 26.6 10.5 4 3 A S S S+ 0 0 21 1,-0.2 230,-2.4 229,-0.1 2,-0.5 0.894 108.0 46.3 -73.6 -30.1 48.6 25.5 10.1 5 4 A V E +A 233 0A 28 228,-0.3 228,-0.2 1,-0.2 -1,-0.2 -0.956 60.3 176.0-109.6 127.9 48.3 23.4 13.2 6 5 A L E - 0 0 87 226,-3.1 2,-0.3 -2,-0.5 227,-0.2 0.871 66.8 -27.1 -87.4 -50.9 45.3 21.2 13.6 7 6 A S E -A 232 0A 49 225,-1.1 225,-2.9 2,-0.0 -1,-0.4 -0.980 55.7-164.1-163.5 159.0 46.1 19.4 16.8 8 7 A A E -A 231 0A 27 -2,-0.3 2,-0.3 223,-0.2 223,-0.2 -0.977 1.3-168.1-147.7 159.2 49.1 18.3 18.9 9 8 A A E -A 230 0A 5 221,-2.4 221,-2.5 -2,-0.3 2,-0.3 -0.985 4.2-162.1-146.9 156.8 49.9 16.0 21.7 10 9 A T E +A 229 0A 53 -2,-0.3 2,-0.3 219,-0.2 219,-0.2 -0.968 7.5 178.2-137.0 153.4 52.8 15.4 24.0 11 10 A A E -A 228 0A 20 217,-2.3 217,-2.6 -2,-0.3 2,-0.4 -0.979 4.5-172.0-150.1 148.3 54.0 12.7 26.3 12 11 A T E -A 227 0A 62 -2,-0.3 2,-0.4 215,-0.2 215,-0.2 -0.995 5.2-175.6-137.5 143.9 57.1 12.2 28.5 13 12 A D E -A 226 0A 57 213,-2.3 213,-2.2 -2,-0.4 10,-0.1 -0.992 24.9-151.9-146.0 133.1 58.2 9.1 30.3 14 13 A Q - 0 0 79 -2,-0.4 4,-0.5 211,-0.2 3,-0.3 0.865 41.9-147.1 -68.5 -33.7 61.0 8.5 32.7 15 14 A G - 0 0 13 1,-0.2 207,-0.1 2,-0.1 210,-0.1 -0.046 29.1 -76.9 78.3 169.8 61.2 4.8 31.7 16 15 A P S S+ 0 0 96 0, 0.0 -1,-0.2 0, 0.0 207,-0.1 0.466 119.9 46.2 -81.5 0.4 62.2 2.0 34.0 17 16 A V S S+ 0 0 92 205,-0.9 206,-0.1 -3,-0.3 -2,-0.1 0.809 88.4 79.2-112.6 -51.7 66.0 2.5 34.1 18 17 A R - 0 0 94 204,-0.5 206,-0.1 -4,-0.5 3,-0.0 -0.336 65.3-143.8 -67.3 142.9 66.8 6.2 34.6 19 18 A E S S+ 0 0 181 1,-0.1 2,-0.3 -2,-0.0 -1,-0.1 0.650 84.4 27.9 -80.0 -16.1 66.6 7.6 38.1 20 19 A N S S- 0 0 88 -6,-0.1 2,-0.8 23,-0.0 205,-0.1 -0.961 74.1-126.5-137.8 155.9 65.3 10.9 36.9 21 20 A N + 0 0 43 -2,-0.3 -7,-0.1 1,-0.1 -6,-0.1 -0.905 33.0 170.6-101.0 104.3 63.3 12.2 34.0 22 21 A Q + 0 0 27 -2,-0.8 15,-2.4 15,-0.2 24,-0.2 0.314 46.1 98.4 -98.4 5.8 65.6 14.9 32.7 23 22 A D E -E 36 0B 11 13,-0.2 2,-0.3 23,-0.1 13,-0.2 -0.570 50.4-176.8 -83.0 158.1 63.6 15.5 29.5 24 23 A A E -E 35 0B 19 11,-2.2 11,-2.6 -2,-0.2 2,-0.3 -0.984 5.1-163.3-147.3 157.9 61.0 18.3 29.2 25 24 A C E -E 34 0B 39 -2,-0.3 2,-0.3 9,-0.2 9,-0.2 -0.950 3.5-155.6-142.4 165.2 58.5 19.3 26.5 26 25 A L E +E 33 0B 26 7,-2.3 7,-2.3 -2,-0.3 2,-0.4 -0.997 13.5 177.2-142.8 136.3 56.5 22.3 25.5 27 26 A A E +E 32 0B 56 -2,-0.3 2,-0.3 5,-0.2 5,-0.2 -0.955 23.8 153.8-138.1 108.7 53.3 22.8 23.6 28 27 A D E > -E 31 0B 66 3,-3.0 3,-2.4 -2,-0.4 2,-0.2 -0.823 65.8 -59.2-145.0 95.5 52.4 26.6 23.6 29 28 A G T 3 S- 0 0 62 -2,-0.3 -1,-0.1 1,-0.3 68,-0.0 -0.477 121.5 -16.0 61.4-128.7 50.3 28.0 20.8 30 29 A I T 3 S+ 0 0 54 -2,-0.2 67,-2.6 -3,-0.1 2,-0.5 0.350 120.6 96.7 -87.3 6.1 52.3 27.5 17.6 31 30 A L E < +EF 28 96B 0 -3,-2.4 -3,-3.0 65,-0.2 2,-0.3 -0.852 46.8 171.5-102.3 130.6 55.5 26.8 19.6 32 31 A Y E +EF 27 95B 19 63,-2.6 63,-3.1 -2,-0.5 2,-0.3 -0.977 6.8 166.1-135.5 139.8 56.5 23.2 20.3 33 32 A A E -EF 26 94B 0 -7,-2.3 -7,-2.3 -2,-0.3 2,-0.4 -0.998 25.9-155.8-157.0 155.2 59.7 21.9 21.8 34 33 A V E -EF 25 93B 0 59,-2.1 59,-2.5 -2,-0.3 2,-0.4 -0.986 12.0-170.9-127.4 138.2 61.7 19.1 23.4 35 34 A A E -E 24 0B 0 -11,-2.6 -11,-2.2 -2,-0.4 2,-0.7 -0.992 6.9-160.7-130.5 121.7 64.7 19.5 25.7 36 35 A D E -E 23 0B 16 -2,-0.4 55,-2.1 -13,-0.2 -13,-0.2 -0.900 17.0-155.9-104.7 104.7 66.8 16.5 26.8 37 36 A G E -I 90 0C 3 -15,-2.4 2,-0.3 -2,-0.7 53,-0.3 -0.409 9.7-169.3 -78.3 155.7 68.8 17.5 29.9 38 37 A F E +I 89 0C 62 51,-2.6 51,-1.8 4,-0.2 3,-0.3 -0.974 39.6 33.0-138.4 158.4 72.0 15.8 31.0 39 38 A G S > S- 0 0 31 -2,-0.3 3,-2.0 49,-0.2 4,-0.3 -0.268 102.9 -46.1 92.8-178.9 74.1 15.9 34.1 40 39 A A T 3 S+ 0 0 69 1,-0.3 -1,-0.2 47,-0.3 3,-0.1 0.728 144.0 31.6 -59.9 -29.0 73.5 16.2 37.8 41 40 A R T 3> S+ 0 0 103 -3,-0.3 4,-2.2 1,-0.1 -1,-0.3 -0.131 79.4 127.5-116.8 30.2 71.2 19.1 37.1 42 41 A G H <> S+ 0 0 0 -3,-2.0 4,-2.4 1,-0.2 5,-0.3 0.859 73.1 54.4 -60.7 -33.8 69.9 18.0 33.8 43 42 A H H > S+ 0 0 58 -4,-0.3 4,-2.5 1,-0.2 5,-0.3 0.930 108.4 49.4 -60.6 -45.1 66.3 18.4 34.9 44 43 A H H > S+ 0 0 71 1,-0.2 4,-2.3 2,-0.2 5,-0.3 0.901 110.9 51.2 -61.1 -41.3 67.0 22.0 35.9 45 44 A A H X S+ 0 0 0 -4,-2.2 4,-2.5 2,-0.2 -2,-0.2 0.955 113.1 41.7 -65.5 -49.1 68.6 22.6 32.6 46 45 A S H X S+ 0 0 2 -4,-2.4 4,-2.2 43,-0.3 5,-0.2 0.924 117.4 46.9 -67.9 -42.8 65.8 21.3 30.4 47 46 A A H X S+ 0 0 54 -4,-2.5 4,-2.3 -5,-0.3 5,-0.2 0.933 114.8 46.1 -66.2 -43.9 63.0 22.9 32.5 48 47 A T H X S+ 0 0 33 -4,-2.3 4,-2.5 -5,-0.3 5,-0.3 0.923 109.9 54.9 -66.1 -40.9 64.7 26.3 32.7 49 48 A A H X S+ 0 0 0 -4,-2.5 4,-2.6 -5,-0.3 -1,-0.2 0.927 112.4 42.4 -57.4 -47.2 65.4 26.2 29.0 50 49 A L H X S+ 0 0 9 -4,-2.2 4,-2.6 2,-0.2 5,-0.2 0.887 112.2 52.9 -71.6 -34.4 61.8 25.7 28.1 51 50 A K H X S+ 0 0 167 -4,-2.3 4,-2.0 -5,-0.2 -1,-0.2 0.927 114.9 42.4 -60.3 -46.2 60.4 28.2 30.6 52 51 A T H X S+ 0 0 23 -4,-2.5 4,-2.8 -5,-0.2 5,-0.2 0.920 113.2 52.0 -68.4 -43.0 62.7 30.8 29.2 53 52 A L H X S+ 0 0 0 -4,-2.6 4,-2.6 -5,-0.3 5,-0.3 0.940 110.5 48.8 -57.9 -48.0 62.1 29.9 25.6 54 53 A S H X S+ 0 0 27 -4,-2.6 4,-2.3 1,-0.2 5,-0.2 0.940 113.1 46.3 -58.5 -46.4 58.3 30.1 26.2 55 54 A A H X S+ 0 0 65 -4,-2.0 4,-1.5 -5,-0.2 -1,-0.2 0.935 114.2 48.1 -63.3 -44.2 58.5 33.5 27.8 56 55 A G H X S+ 0 0 4 -4,-2.8 4,-1.0 1,-0.2 -2,-0.2 0.916 111.5 48.6 -67.6 -38.1 60.8 34.9 25.2 57 56 A F H >< S+ 0 0 12 -4,-2.6 3,-0.7 -5,-0.2 -1,-0.2 0.917 107.8 55.2 -67.2 -40.6 58.8 33.7 22.3 58 57 A A H 3< S+ 0 0 72 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.844 108.2 49.9 -59.5 -36.0 55.6 35.1 23.8 59 58 A A H 3< S+ 0 0 87 -4,-1.5 -1,-0.3 1,-0.2 -2,-0.2 0.746 131.6 14.8 -75.4 -20.2 57.3 38.5 24.0 60 59 A A S << S- 0 0 40 -4,-1.0 2,-2.3 -3,-0.7 -1,-0.2 -0.539 70.9-175.1-153.0 74.3 58.4 38.3 20.4 61 60 A P + 0 0 66 0, 0.0 2,-0.3 0, 0.0 -4,-0.1 -0.412 52.3 91.4 -84.7 70.5 56.6 35.6 18.4 62 61 A D S > S- 0 0 71 -2,-2.3 4,-2.4 1,-0.1 5,-0.2 -0.883 93.2 -86.1-143.7 178.8 58.5 35.9 15.1 63 62 A R H > S+ 0 0 117 -2,-0.3 4,-2.1 1,-0.2 5,-0.2 0.946 127.0 44.4 -60.4 -50.5 61.6 34.2 13.6 64 63 A D H > S+ 0 0 100 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.893 112.3 53.9 -63.0 -34.4 64.1 36.6 15.2 65 64 A G H > S+ 0 0 5 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.856 106.2 51.5 -65.8 -38.8 62.3 36.4 18.5 66 65 A L H X S+ 0 0 0 -4,-2.4 4,-1.9 2,-0.2 -1,-0.2 0.933 111.3 47.6 -65.2 -42.1 62.5 32.7 18.5 67 66 A L H X S+ 0 0 30 -4,-2.1 4,-2.2 1,-0.2 -2,-0.2 0.908 112.8 48.4 -64.4 -39.8 66.2 32.8 17.9 68 67 A E H X S+ 0 0 97 -4,-2.6 4,-2.2 1,-0.2 -1,-0.2 0.813 108.7 54.9 -73.2 -23.7 66.7 35.4 20.6 69 68 A A H X S+ 0 0 0 -4,-1.9 4,-2.3 2,-0.2 -1,-0.2 0.884 107.5 49.4 -70.8 -37.1 64.5 33.3 23.0 70 69 A V H X S+ 0 0 0 -4,-1.9 4,-2.5 2,-0.2 -2,-0.2 0.920 111.4 48.9 -66.8 -41.7 66.9 30.3 22.3 71 70 A Q H X S+ 0 0 57 -4,-2.2 4,-2.4 1,-0.2 -2,-0.2 0.937 111.9 49.6 -61.0 -45.9 69.9 32.6 23.1 72 71 A Q H X S+ 0 0 91 -4,-2.2 4,-2.8 2,-0.2 5,-0.2 0.904 109.4 51.5 -57.3 -45.8 68.1 33.8 26.3 73 72 A A H X S+ 0 0 0 -4,-2.3 4,-2.5 2,-0.2 5,-0.3 0.939 109.5 50.7 -60.6 -44.5 67.5 30.2 27.3 74 73 A N H X S+ 0 0 0 -4,-2.5 4,-2.4 1,-0.2 -2,-0.2 0.939 113.1 44.7 -58.0 -48.7 71.2 29.4 26.8 75 74 A L H X S+ 0 0 84 -4,-2.4 4,-2.7 1,-0.2 5,-0.2 0.898 112.0 51.6 -67.5 -38.8 72.3 32.3 28.9 76 75 A R H X S+ 0 0 104 -4,-2.8 4,-2.1 2,-0.2 -1,-0.2 0.923 113.0 44.4 -63.2 -45.4 69.8 31.7 31.7 77 76 A V H X S+ 0 0 1 -4,-2.5 4,-2.6 -5,-0.2 5,-0.4 0.942 114.5 49.3 -66.5 -42.9 70.8 28.0 32.0 78 77 A F H X S+ 0 0 68 -4,-2.4 4,-2.2 -5,-0.3 -2,-0.2 0.905 110.3 51.6 -60.8 -41.4 74.5 28.9 31.9 79 78 A E H < S+ 0 0 102 -4,-2.7 4,-0.3 -5,-0.2 -1,-0.2 0.898 116.6 40.2 -63.2 -38.7 74.0 31.6 34.5 80 79 A L H < S+ 0 0 65 -4,-2.1 -2,-0.2 -5,-0.2 -1,-0.2 0.894 132.0 19.9 -82.1 -31.6 72.3 29.1 36.8 81 80 A L H >< S+ 0 0 16 -4,-2.6 3,-1.8 80,-0.2 -3,-0.2 0.515 94.9 90.9-114.5 -11.6 74.4 26.0 36.3 82 81 A G T 3< S+ 0 0 39 -4,-2.2 -3,-0.1 -5,-0.4 -1,-0.1 0.763 86.0 56.7 -63.8 -23.2 77.7 27.1 34.9 83 82 A D T 3 S+ 0 0 115 -4,-0.3 -1,-0.3 -5,-0.2 -2,-0.1 0.336 83.1 114.4 -80.7 -10.8 79.2 27.5 38.4 84 83 A E S < S- 0 0 87 -3,-1.8 4,-0.1 2,-0.1 -3,-0.1 -0.333 77.9-116.5 -74.2 155.0 78.5 23.8 39.4 85 84 A P S S+ 0 0 124 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.729 100.1 35.3 -62.1 -22.6 81.2 21.3 40.1 86 85 A T S S- 0 0 80 -5,-0.1 2,-0.5 0, 0.0 -2,-0.1 -0.855 94.5 -98.4-129.2 160.8 80.1 19.1 37.1 87 86 A V + 0 0 103 -2,-0.3 2,-0.3 -4,-0.1 -47,-0.3 -0.701 41.1 170.6 -88.7 128.1 78.7 20.0 33.7 88 87 A S + 0 0 5 -2,-0.5 2,-0.3 -7,-0.2 -49,-0.2 -0.959 12.9 133.1-127.2 153.8 75.0 19.9 33.1 89 88 A G E -I 38 0C 0 -51,-1.8 -51,-2.6 -2,-0.3 2,-0.3 -0.916 34.4-119.9-172.7-165.0 73.0 21.2 30.1 90 89 A T E -IJ 37 160C 0 70,-2.1 70,-3.0 -2,-0.3 -53,-0.3 -0.999 12.0-122.1-154.7 154.8 70.3 20.3 27.7 91 90 A T - 0 0 1 -55,-2.1 2,-0.3 -2,-0.3 20,-0.2 -0.484 28.8-160.8 -78.8 171.0 69.5 19.8 24.1 92 91 A L E + G 0 110B 2 18,-2.6 18,-2.7 -57,-0.2 2,-0.4 -0.897 17.1 176.1-156.1 122.9 66.7 21.9 22.6 93 92 A T E +FG 34 109B 1 -59,-2.5 -59,-2.1 -2,-0.3 2,-0.4 -0.991 16.7 178.9-124.5 120.4 64.6 21.3 19.4 94 93 A A E -FG 33 108B 0 14,-3.0 14,-2.6 -2,-0.4 2,-0.4 -0.967 12.6-166.9-124.5 139.9 61.9 23.9 18.9 95 94 A V E -FG 32 107B 0 -63,-3.1 -63,-2.6 -2,-0.4 2,-0.5 -0.995 3.5-166.9-124.1 131.8 59.4 24.3 16.1 96 95 A A E -FG 31 106B 0 10,-2.3 10,-2.2 -2,-0.4 2,-1.9 -0.979 14.2-150.2-116.8 115.8 57.3 27.4 15.5 97 96 A V - 0 0 2 -67,-2.6 -93,-0.1 -2,-0.5 -92,-0.1 -0.483 28.1-178.5 -89.3 67.3 54.5 26.6 13.1 98 97 A F - 0 0 2 -2,-1.9 -36,-0.0 6,-0.4 -2,-0.0 -0.300 29.9-110.8 -63.6 148.2 54.3 30.1 11.6 99 98 A E > > - 0 0 95 5,-0.2 5,-2.0 1,-0.1 3,-1.6 -0.299 41.3 -97.4 -68.3 162.9 51.8 31.0 9.0 100 99 A P G > 5S+ 0 0 103 0, 0.0 3,-2.3 0, 0.0 -1,-0.1 0.886 122.3 63.4 -54.5 -36.8 53.3 31.7 5.5 101 100 A G G 3 5S+ 0 0 83 1,-0.3 -3,-0.0 2,-0.1 -2,-0.0 0.785 103.6 48.4 -65.9 -20.7 53.3 35.5 6.1 102 101 A Q G < 5S- 0 0 94 -3,-1.6 -1,-0.3 -40,-0.0 -39,-0.2 0.117 135.5 -87.3 -98.7 18.3 55.8 35.0 8.9 103 102 A G T < 5 - 0 0 69 -3,-2.3 -2,-0.1 -41,-0.1 -4,-0.1 0.386 66.0 -96.1 98.8 -5.7 58.0 32.8 6.8 104 103 A G S - C 0 122A 71 3,-2.2 3,-2.3 -2,-0.6 60,-0.1 -0.994 65.1 -8.5-142.3 127.0 54.3 12.1 5.1 120 119 A D T 3 S- 0 0 148 -2,-0.4 3,-0.1 1,-0.3 -1,-0.1 0.823 130.0 -52.3 53.1 38.9 52.6 9.4 3.0 121 120 A G T 3 S+ 0 0 54 1,-0.3 2,-0.4 77,-0.0 -1,-0.3 0.423 115.3 112.4 83.8 -1.2 53.4 6.8 5.6 122 121 A H E < -C 119 0A 137 -3,-2.3 -3,-2.2 2,-0.0 2,-0.5 -0.854 51.6-156.0-105.7 145.7 57.1 7.6 5.7 123 122 A M E +C 118 0A 21 -2,-0.4 2,-0.4 -5,-0.2 -5,-0.2 -0.975 19.2 176.2-119.1 115.6 59.0 9.1 8.7 124 123 A E E -C 117 0A 93 -7,-2.5 -7,-2.5 -2,-0.5 2,-0.4 -0.948 30.8-117.9-126.7 145.1 62.2 11.0 7.9 125 124 A Q E -C 116 0A 29 -2,-0.4 -9,-0.3 -9,-0.2 19,-0.0 -0.677 23.8-176.4 -84.8 127.4 64.6 12.9 10.1 126 125 A L + 0 0 57 -11,-3.0 2,-0.3 -2,-0.4 -10,-0.2 0.644 58.3 67.4 -95.4 -23.3 64.8 16.6 9.2 127 126 A T S S- 0 0 4 -12,-0.9 2,-0.4 -15,-0.0 -2,-0.0 -0.689 77.5-116.8-104.1 155.8 67.5 17.8 11.6 128 127 A D - 0 0 55 -2,-0.3 2,-0.6 -19,-0.1 41,-0.1 -0.733 27.5-128.5 -84.0 137.0 71.2 17.1 12.1 129 128 A D - 0 0 42 -2,-0.4 2,-1.7 5,-0.1 -17,-0.2 -0.803 11.5-141.8 -87.2 126.0 72.2 15.5 15.3 130 129 A H + 0 0 6 -19,-2.8 27,-2.2 -2,-0.6 28,-0.9 -0.619 64.5 103.1 -89.5 77.1 75.0 17.4 17.0 131 130 A S B > S-K 156 0D 3 -2,-1.7 4,-2.1 25,-0.3 25,-0.2 -0.956 87.8 -99.8-146.3 168.4 76.9 14.3 18.2 132 131 A V H > S+ 0 0 43 23,-1.9 4,-1.5 20,-0.6 21,-0.2 0.944 126.5 45.9 -58.4 -47.6 80.0 12.4 17.2 133 132 A A H > S+ 0 0 2 19,-0.8 4,-1.8 1,-0.2 -1,-0.2 0.896 107.1 58.5 -63.8 -39.1 77.8 9.9 15.5 134 133 A G H > S+ 0 0 10 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.864 102.9 53.4 -60.4 -35.6 75.7 12.6 13.8 135 134 A E H X S+ 0 0 101 -4,-2.1 4,-1.3 1,-0.2 -1,-0.2 0.918 105.7 53.0 -66.1 -40.5 78.8 14.0 12.2 136 135 A L H <>S+ 0 0 38 -4,-1.5 5,-2.0 1,-0.2 6,-1.2 0.839 108.9 50.3 -60.9 -35.2 79.6 10.6 10.7 137 136 A V H ><5S+ 0 0 30 -4,-1.8 3,-1.5 1,-0.2 -1,-0.2 0.926 106.3 55.4 -67.8 -42.7 76.2 10.5 9.3 138 137 A R H 3<5S+ 0 0 177 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.795 107.9 48.7 -55.1 -34.7 76.6 13.9 7.7 139 138 A M T 3<5S- 0 0 130 -4,-1.3 -1,-0.3 -5,-0.1 -2,-0.2 0.523 114.9-114.7 -88.7 -7.4 79.7 12.9 5.9 140 139 A G T < 5S+ 0 0 65 -3,-1.5 -3,-0.2 -4,-0.4 -2,-0.1 0.568 83.5 119.7 84.7 14.9 78.1 9.7 4.5 141 140 A E S - 0 0 75 -2,-0.3 4,-2.4 1,-0.1 5,-0.1 -0.359 29.7-112.8 -76.5 162.1 73.8 5.5 7.8 144 143 A R H > S+ 0 0 118 2,-0.2 4,-1.3 1,-0.2 -1,-0.1 0.888 120.9 57.7 -57.9 -34.4 71.3 7.0 10.1 145 144 A H H >4 S+ 0 0 95 1,-0.2 3,-1.1 2,-0.2 4,-0.4 0.972 108.0 44.2 -61.6 -52.3 70.3 3.5 10.8 146 145 A E H >4 S+ 0 0 102 1,-0.3 3,-1.7 2,-0.2 4,-0.5 0.891 107.7 61.1 -48.4 -53.1 73.9 2.6 11.9 147 146 A A H >< S+ 0 0 12 -4,-2.4 3,-1.2 1,-0.3 -1,-0.3 0.769 85.0 75.4 -59.7 -26.2 74.2 5.8 13.9 148 147 A R T << S+ 0 0 25 -4,-1.3 -1,-0.3 -3,-1.1 -2,-0.2 0.753 110.2 28.8 -63.4 -26.2 71.2 5.0 16.3 149 148 A W T < S+ 0 0 129 -3,-1.7 -1,-0.3 -4,-0.4 -2,-0.2 0.340 86.0 137.3-117.1 20.1 73.4 2.5 18.1 150 149 A H X - 0 0 44 -3,-1.2 3,-1.9 -4,-0.5 4,-0.2 -0.434 60.2-127.0 -60.1 137.2 76.9 4.0 17.6 151 150 A P T 3 S+ 0 0 117 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 0.522 108.9 45.9 -64.0 -11.6 79.0 3.9 20.8 152 151 A Q T > S+ 0 0 88 1,-0.1 3,-1.3 2,-0.1 -19,-0.8 0.193 78.4 101.9-112.6 6.1 79.7 7.7 20.4 153 152 A R T < S+ 0 0 29 -3,-1.9 -1,-0.1 1,-0.2 -19,-0.1 0.789 77.2 60.3 -68.8 -17.2 76.2 8.8 19.7 154 153 A H T 3 S+ 0 0 104 -4,-0.2 2,-1.0 -3,-0.1 -1,-0.2 0.558 80.5 95.0 -89.0 -3.7 75.9 10.0 23.3 155 154 A L S < S- 0 0 93 -3,-1.3 -23,-1.9 2,-0.0 -22,-0.2 -0.779 70.4-149.9 -87.1 100.2 78.8 12.5 23.0 156 155 A L B -K 131 0D 55 -2,-1.0 -25,-0.3 -25,-0.2 3,-0.1 -0.419 18.9-167.4 -75.6 141.0 77.1 15.8 22.2 157 156 A T S S+ 0 0 58 -27,-2.2 2,-0.3 1,-0.3 -26,-0.2 0.548 79.2 29.2-102.9 -5.8 78.9 18.4 20.1 158 157 A R + 0 0 87 -28,-0.9 2,-0.3 8,-0.0 -1,-0.3 -0.981 68.0 160.7-148.3 140.2 76.5 21.2 20.9 159 158 A A > - 0 0 6 -2,-0.3 3,-0.5 -3,-0.1 2,-0.3 -0.981 35.0-112.2-155.4 155.3 74.3 21.8 23.9 160 159 A L B 3 S+J 90 0C 0 -70,-3.0 -70,-2.1 -2,-0.3 -111,-0.1 -0.692 92.9 22.6 -88.7 140.7 72.5 24.6 25.6 161 160 A G T 3 S+ 0 0 1 2,-0.4 -1,-0.2 -2,-0.3 -73,-0.2 0.459 89.5 99.7 91.7 2.2 73.6 26.0 29.0 162 161 A I S < S- 0 0 87 -3,-0.5 -2,-0.1 1,-0.2 -73,-0.1 0.518 92.4 -2.5-100.3 -9.2 77.2 25.0 28.9 163 162 A G S S- 0 0 16 -4,-0.2 -2,-0.4 -89,-0.1 -1,-0.2 -0.971 77.9 -93.8-167.3 175.5 78.7 28.3 27.9 164 163 A P S S+ 0 0 87 0, 0.0 2,-0.5 0, 0.0 -89,-0.1 0.663 100.7 61.0 -76.6 -15.0 77.8 31.8 26.9 165 164 A H + 0 0 156 -91,-0.1 2,-0.4 -90,-0.0 -3,-0.1 -0.940 56.3 170.4-117.9 133.1 77.8 31.2 23.1 166 165 A I - 0 0 14 -2,-0.5 -6,-0.1 -8,-0.1 -92,-0.0 -0.996 19.3-163.1-137.1 148.1 75.6 28.9 21.1 167 166 A G - 0 0 40 -2,-0.4 3,-0.0 -96,-0.0 -2,-0.0 -0.812 20.3-171.5-123.8 83.5 75.0 28.5 17.4 168 167 A P - 0 0 24 0, 0.0 2,-0.3 0, 0.0 -58,-0.2 -0.361 30.6-105.7 -70.9 159.0 71.8 26.4 16.8 169 168 A D E -H 109 0B 40 -60,-2.7 -60,-2.2 -41,-0.1 2,-0.4 -0.650 38.5-169.7 -76.2 146.7 70.8 25.2 13.5 170 169 A V E +H 108 0B 35 -2,-0.3 2,-0.3 -62,-0.2 -62,-0.2 -0.992 18.0 144.7-141.3 120.1 67.9 27.2 12.1 171 170 A F E -H 107 0B 159 -64,-2.3 -64,-2.8 -2,-0.4 2,-0.1 -0.991 47.4-100.6-154.8 156.2 65.9 26.2 9.0 172 171 A G E -H 106 0B 40 -2,-0.3 2,-0.5 -66,-0.2 -66,-0.3 -0.437 37.0-124.2 -72.5 153.6 62.5 26.2 7.5 173 172 A I - 0 0 14 -68,-2.1 2,-1.1 -2,-0.1 -1,-0.1 -0.892 12.4-139.8-101.6 124.6 60.4 23.0 7.6 174 173 A D + 0 0 115 -2,-0.5 2,-0.3 -70,-0.1 -70,-0.0 -0.757 56.0 123.6 -87.7 102.6 59.2 21.7 4.3 175 174 A C + 0 0 26 -2,-1.1 -56,-0.0 -70,-0.1 -2,-0.0 -0.930 29.3 167.7-157.0 169.4 55.8 20.6 5.3 176 175 A G > - 0 0 20 -2,-0.3 3,-2.2 57,-0.1 57,-0.2 -0.927 47.5 -21.5-171.0-175.9 52.1 21.1 4.4 177 176 A P T 3 S+ 0 0 99 0, 0.0 57,-0.2 0, 0.0 3,-0.1 -0.100 123.2 20.5 -52.4 136.5 48.5 19.9 4.9 178 177 A G T 3 S+ 0 0 71 55,-1.6 -58,-0.1 1,-0.3 56,-0.1 0.195 96.5 121.3 90.9 -20.4 48.3 16.2 5.9 179 178 A D < - 0 0 9 -3,-2.2 54,-2.6 -60,-0.1 2,-0.4 -0.366 48.0-153.9 -74.7 156.5 51.8 16.1 7.2 180 179 A R E -BD 118 232A 16 -62,-2.1 -62,-3.1 52,-0.2 2,-0.4 -0.988 3.8-151.9-124.4 142.0 52.6 15.3 10.8 181 180 A L E -BD 117 231A 0 50,-2.8 50,-2.5 -2,-0.4 2,-0.4 -0.879 6.0-164.4-110.4 145.5 55.7 16.4 12.7 182 181 A L E -BD 116 230A 0 -66,-2.4 -66,-3.1 -2,-0.4 2,-0.5 -0.991 3.9-171.0-127.9 124.7 57.3 14.5 15.5 183 182 A I E +BD 115 229A 0 46,-2.7 46,-2.4 -2,-0.4 2,-0.4 -0.948 22.8 167.9-106.0 131.1 59.8 16.0 17.9 184 183 A S E - D 0 228A 0 -70,-2.5 44,-0.2 -2,-0.5 2,-0.1 -0.988 36.9-118.9-141.4 154.7 61.4 13.5 20.2 185 184 A S > - 0 0 0 42,-2.3 3,-1.5 -2,-0.4 4,-0.3 -0.477 46.5-100.4 -72.6 164.7 64.2 13.0 22.6 186 185 A D G > S+ 0 0 15 1,-0.3 3,-0.9 2,-0.2 4,-0.3 0.664 110.9 83.0 -59.2 -19.7 66.8 10.3 21.6 187 186 A G G > S+ 0 0 4 38,-0.5 3,-1.2 1,-0.2 4,-0.3 0.821 79.1 66.2 -61.0 -26.7 65.2 7.9 24.0 188 187 A L G < S+ 0 0 1 -3,-1.5 4,-0.5 1,-0.3 3,-0.4 0.880 109.2 35.0 -62.3 -41.5 62.5 6.9 21.4 189 188 A F G < S+ 0 0 27 -3,-0.9 -1,-0.3 -4,-0.3 -2,-0.2 0.220 83.3 109.4-100.0 16.4 65.1 5.3 19.1 190 189 A A S < S- 0 0 20 -3,-1.2 -1,-0.2 -4,-0.3 -2,-0.1 0.864 105.4 -25.5 -58.1 -35.4 67.4 3.9 21.7 191 190 A A S S+ 0 0 52 -3,-0.4 -2,-0.1 -4,-0.3 -1,-0.1 0.518 97.9 113.5-154.9 -27.9 66.3 0.3 20.9 192 191 A A S S- 0 0 6 -4,-0.5 2,-0.1 1,-0.1 25,-0.1 -0.206 74.0 -89.6 -68.6 157.4 62.9 -0.3 19.4 193 192 A D > - 0 0 102 1,-0.1 4,-2.2 23,-0.1 5,-0.2 -0.384 30.9-135.3 -60.8 131.0 62.2 -1.6 16.0 194 193 A E H > S+ 0 0 84 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.874 104.0 53.9 -59.9 -40.7 61.9 1.3 13.5 195 194 A A H > S+ 0 0 69 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.910 108.9 49.9 -61.1 -38.8 58.8 -0.2 11.8 196 195 A L H > S+ 0 0 78 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.938 108.4 51.9 -67.2 -39.2 57.1 -0.3 15.2 197 196 A I H X S+ 0 0 0 -4,-2.2 4,-2.8 2,-0.2 -2,-0.2 0.941 111.1 48.2 -58.7 -44.9 58.1 3.3 15.9 198 197 A V H X S+ 0 0 25 -4,-2.5 4,-1.4 1,-0.2 -2,-0.2 0.907 109.0 53.4 -65.5 -41.6 56.6 4.4 12.6 199 198 A D H >< S+ 0 0 88 -4,-2.7 3,-0.5 -5,-0.2 -1,-0.2 0.948 113.4 43.1 -56.2 -46.9 53.4 2.4 13.3 200 199 A A H >< S+ 0 0 0 -4,-2.5 3,-1.6 1,-0.2 13,-0.2 0.934 112.9 52.7 -63.6 -44.5 53.0 4.1 16.7 201 200 A A H 3< S+ 0 0 0 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.708 106.9 52.9 -66.6 -19.5 53.9 7.5 15.2 202 201 A T T << S+ 0 0 53 -4,-1.4 -1,-0.3 -3,-0.5 -2,-0.2 0.274 72.8 135.1-100.2 6.3 51.3 7.2 12.5 203 202 A S < - 0 0 14 -3,-1.6 6,-0.3 -4,-0.2 7,-0.1 -0.332 62.3-126.9 -56.4 126.4 48.4 6.4 14.8 204 203 A P S S+ 0 0 120 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 0.889 95.7 61.4 -50.5 -42.8 45.5 8.6 13.5 205 204 A D S >> S- 0 0 81 1,-0.2 4,-2.6 2,-0.0 3,-0.8 -0.712 77.9-147.7 -85.7 120.2 44.8 10.2 16.9 206 205 A P H 3> S+ 0 0 12 0, 0.0 4,-2.4 0, 0.0 5,-0.2 0.841 98.5 57.9 -58.9 -26.5 47.9 12.2 18.0 207 206 A Q H 3> S+ 0 0 81 2,-0.2 4,-1.3 1,-0.2 5,-0.1 0.863 109.2 44.7 -70.8 -34.8 47.0 11.5 21.7 208 207 A V H <> S+ 0 0 51 -3,-0.8 4,-3.0 2,-0.2 5,-0.3 0.909 110.1 57.1 -69.1 -41.7 47.1 7.8 20.9 209 208 A A H X S+ 0 0 0 -4,-2.6 4,-2.5 -6,-0.3 -2,-0.2 0.924 106.3 46.9 -55.6 -48.1 50.3 8.2 18.9 210 209 A V H X S+ 0 0 1 -4,-2.4 4,-2.1 1,-0.2 -1,-0.2 0.905 113.7 47.8 -67.8 -37.9 52.2 9.8 21.8 211 210 A R H X S+ 0 0 133 -4,-1.3 4,-2.3 -5,-0.2 -1,-0.2 0.924 113.1 48.4 -64.6 -40.7 51.1 7.1 24.2 212 211 A R H X S+ 0 0 112 -4,-3.0 4,-2.7 1,-0.2 -2,-0.2 0.873 109.1 53.9 -67.1 -36.7 52.0 4.3 21.8 213 212 A L H X S+ 0 0 0 -4,-2.5 4,-2.3 -5,-0.3 5,-0.2 0.941 109.9 46.2 -62.6 -46.4 55.4 5.9 21.1 214 213 A V H X S+ 0 0 12 -4,-2.1 4,-2.5 1,-0.2 5,-0.2 0.935 113.4 50.8 -60.3 -41.4 56.3 6.0 24.9 215 214 A E H X S+ 0 0 90 -4,-2.3 4,-3.0 1,-0.2 5,-0.2 0.920 108.8 50.7 -63.5 -43.6 55.0 2.4 25.2 216 215 A V H X S+ 0 0 9 -4,-2.7 4,-1.4 2,-0.2 -1,-0.2 0.940 112.2 47.2 -59.6 -48.5 57.1 1.2 22.3 217 216 A A H <>S+ 0 0 7 -4,-2.3 5,-2.1 -5,-0.2 6,-0.3 0.927 115.7 44.8 -62.5 -39.3 60.3 2.8 23.8 218 217 A N H ><5S+ 0 0 37 -4,-2.5 3,-1.6 1,-0.2 -2,-0.2 0.912 109.8 54.1 -73.8 -38.6 59.6 1.3 27.2 219 218 A D H 3<5S+ 0 0 142 -4,-3.0 -1,-0.2 1,-0.3 -2,-0.2 0.795 103.5 58.1 -61.5 -31.1 58.7 -2.1 25.9 220 219 A A T 3<5S- 0 0 44 -4,-1.4 -1,-0.3 -5,-0.2 -2,-0.2 0.476 140.2 -74.5 -82.1 -1.1 62.0 -2.2 24.1 221 220 A G T < 5 - 0 0 43 -3,-1.6 -3,-0.2 -4,-0.2 -2,-0.1 0.051 47.1-127.8 136.3 -24.3 63.9 -1.7 27.4 222 221 A G < + 0 0 5 -5,-2.1 -205,-0.9 -6,-0.2 -204,-0.5 0.880 44.1 164.3 55.0 40.3 63.3 2.0 28.2 223 222 A S + 0 0 58 -6,-0.3 2,-0.3 -36,-0.1 -1,-0.1 0.763 62.9 26.3 -63.6 -25.4 67.0 2.7 28.7 224 223 A D S S- 0 0 6 -37,-0.3 2,-0.2 -7,-0.1 -207,-0.1 -0.831 96.8 -84.7-127.3 166.6 66.5 6.4 28.5 225 224 A N - 0 0 1 -2,-0.3 -38,-0.5 -205,-0.1 2,-0.4 -0.515 45.2-152.1 -59.8 144.1 63.8 9.0 29.2 226 225 A T E +A 13 0A 0 -213,-2.2 -213,-2.3 -39,-0.2 2,-0.4 -0.993 18.1 174.5-128.3 129.6 61.5 9.3 26.1 227 226 A T E -A 12 0A 0 -2,-0.4 -42,-2.3 -215,-0.2 2,-0.4 -0.997 5.0-178.6-136.9 134.3 59.6 12.4 25.3 228 227 A V E -AD 11 184A 0 -217,-2.6 -217,-2.3 -2,-0.4 2,-0.4 -0.992 15.3-167.8-138.2 146.1 57.5 13.0 22.1 229 228 A V E -AD 10 183A 0 -46,-2.4 -46,-2.7 -2,-0.4 2,-0.4 -0.995 11.7-164.6-133.6 121.1 55.5 15.9 20.6 230 229 A V E -AD 9 182A 0 -221,-2.5 -221,-2.4 -2,-0.4 2,-0.4 -0.945 4.7-171.5-112.6 132.8 53.2 15.1 17.7 231 230 A I E -AD 8 181A 0 -50,-2.5 -50,-2.8 -2,-0.4 2,-0.5 -0.989 11.1-153.5-130.5 120.3 51.9 17.9 15.6 232 231 A D E -AD 7 180A 28 -225,-2.9 -226,-3.1 -2,-0.4 -225,-1.1 -0.855 21.5-146.3 -96.5 125.3 49.2 17.5 12.9 233 232 A L E A 5 0A 6 -54,-2.6 -55,-1.6 -2,-0.5 -228,-0.3 -0.604 360.0 360.0 -98.0 149.0 49.4 20.2 10.2 234 233 A G 0 0 32 -230,-2.4 -55,-0.1 -231,-0.3 -228,-0.0 -0.605 360.0 360.0-119.3 360.0 46.8 21.9 8.1