==== 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 26-JUN-06 2IW4 . COMPND 2 MOLECULE: MANGANESE-DEPENDENT INORGANIC PYROPHOSPHATASE; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS SUBTILIS; . AUTHOR I.P.FABRICHNIY,L.LEHTIO,E.OKSANEN,A.GOLDMAN . 615 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 25331.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 447 72.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 66 10.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 48 7.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.3 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 . 4 0.7 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 . 48 7.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 57 9.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 200 32.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 20 3.3 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 4 2 0 2 2 2 0 1 3 0 4 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 2 2 4 2 0 0 2 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 0 1 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 ANTIPARALLEL BRIDGES PER LADDER . 2 0 0 0 2 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 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 2 A E 0 0 206 0, 0.0 31,-0.4 0, 0.0 2,-0.1 0.000 360.0 360.0 360.0 -75.3 -22.7 -84.0 39.1 2 3 A K - 0 0 73 64,-0.1 67,-0.6 29,-0.1 66,-0.6 -0.374 360.0-178.1 -63.9 136.4 -23.6 -80.2 38.6 3 4 A I E -ab 33 69A 21 29,-2.2 31,-1.3 64,-0.1 2,-0.4 -0.953 18.2-138.2-130.0 156.3 -26.7 -79.0 40.3 4 5 A L E -ab 34 70A 0 65,-1.1 67,-2.1 -2,-0.3 2,-0.4 -0.916 11.7-157.9-112.6 144.1 -28.4 -75.6 40.3 5 6 A I E +ab 35 71A 0 29,-2.2 31,-2.8 -2,-0.4 2,-0.3 -0.987 25.7 148.9-124.3 124.6 -29.8 -74.0 43.4 6 7 A F E - b 0 72A 0 65,-2.0 67,-2.1 -2,-0.4 31,-0.1 -0.989 31.3-138.9-153.6 160.4 -32.5 -71.3 43.2 7 8 A G - 0 0 2 29,-0.4 67,-0.2 -2,-0.3 68,-0.1 -0.141 49.9 -44.8-102.3-157.0 -35.5 -69.7 44.9 8 9 A H - 0 0 1 65,-0.2 30,-0.5 66,-0.2 -1,-0.3 -0.150 61.0 -88.0 -74.1 163.9 -38.8 -68.4 43.6 9 10 A Q S S+ 0 0 76 71,-2.6 -1,-0.1 1,-0.2 30,-0.1 -0.283 115.7 34.7 -54.8 153.9 -39.7 -66.3 40.6 10 11 A N S S- 0 0 50 28,-0.2 -1,-0.2 1,-0.1 -2,-0.1 0.987 103.1-136.5 52.0 61.3 -39.6 -62.5 41.4 11 12 A P - 0 0 1 0, 0.0 31,-0.4 0, 0.0 2,-0.2 -0.174 22.3-163.1 -56.7 135.3 -36.7 -63.2 43.7 12 13 A D > - 0 0 17 -3,-0.1 4,-2.3 29,-0.1 5,-0.2 -0.512 41.5 -89.2-102.0-175.9 -36.4 -61.6 47.2 13 14 A T H > S+ 0 0 0 1,-0.2 4,-3.1 2,-0.2 5,-0.4 0.906 128.0 49.4 -62.8 -40.4 -33.3 -61.2 49.4 14 15 A D H > S+ 0 0 0 130,-0.3 4,-2.7 1,-0.2 5,-0.4 0.950 111.5 49.8 -62.9 -46.7 -34.0 -64.6 51.1 15 16 A T H > S+ 0 0 2 1,-0.2 4,-0.9 2,-0.2 -8,-0.2 0.873 118.7 38.0 -59.4 -38.9 -34.4 -66.3 47.7 16 17 A I H X S+ 0 0 0 -4,-2.3 4,-1.9 2,-0.2 -2,-0.2 0.939 121.7 41.6 -78.2 -47.4 -31.1 -64.8 46.3 17 18 A C H X S+ 0 0 1 -4,-3.1 4,-3.0 -5,-0.2 -3,-0.2 0.852 113.0 51.7 -77.0 -33.8 -29.0 -65.0 49.4 18 19 A S H X S+ 0 0 0 -4,-2.7 4,-2.8 -5,-0.4 5,-0.2 0.858 108.9 51.2 -69.9 -36.3 -30.1 -68.5 50.6 19 20 A A H X S+ 0 0 0 -4,-0.9 4,-2.1 -5,-0.4 -2,-0.2 0.917 113.4 46.3 -59.8 -46.4 -29.3 -69.9 47.1 20 21 A I H X S+ 0 0 13 -4,-1.9 4,-1.7 2,-0.2 -2,-0.2 0.957 115.1 46.4 -60.5 -51.4 -25.9 -68.3 47.4 21 22 A A H X S+ 0 0 0 -4,-3.0 4,-2.3 2,-0.2 -2,-0.2 0.909 113.2 47.1 -58.4 -48.5 -25.3 -69.5 51.0 22 23 A Y H X S+ 0 0 9 -4,-2.8 4,-2.8 1,-0.2 5,-0.2 0.878 110.1 53.1 -69.5 -34.5 -26.5 -73.1 50.3 23 24 A A H X S+ 0 0 1 -4,-2.1 4,-2.5 -5,-0.2 10,-0.3 0.872 109.0 50.9 -62.0 -35.0 -24.4 -73.4 47.2 24 25 A D H X S+ 0 0 25 -4,-1.7 4,-2.5 2,-0.2 -2,-0.2 0.945 110.7 48.0 -70.1 -43.4 -21.4 -72.3 49.3 25 26 A L H X S+ 0 0 1 -4,-2.3 4,-1.8 1,-0.2 -2,-0.2 0.928 113.4 47.4 -62.4 -49.1 -22.2 -75.0 51.9 26 27 A K H <>S+ 0 0 21 -4,-2.8 5,-2.8 1,-0.2 -1,-0.2 0.919 114.0 47.2 -53.0 -48.1 -22.6 -77.7 49.3 27 28 A N H ><5S+ 0 0 67 -4,-2.5 3,-1.5 3,-0.2 -2,-0.2 0.873 109.7 52.5 -67.6 -35.4 -19.4 -76.7 47.6 28 29 A K H 3<5S+ 0 0 90 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.820 106.0 55.3 -69.1 -30.0 -17.4 -76.5 50.9 29 30 A L T 3<5S- 0 0 70 -4,-1.8 -1,-0.3 -5,-0.2 -2,-0.2 0.370 130.6-100.1 -78.3 4.2 -18.6 -80.0 51.5 30 31 A G T < 5S+ 0 0 62 -3,-1.5 -3,-0.2 1,-0.2 -2,-0.1 0.602 82.3 123.6 88.3 15.4 -17.1 -81.0 48.2 31 32 A F < - 0 0 124 -5,-2.8 2,-0.3 -6,-0.2 -1,-0.2 -0.132 63.8-110.4 -92.7-163.0 -20.2 -81.0 45.9 32 33 A N + 0 0 62 -31,-0.4 -29,-2.2 -2,-0.0 2,-0.3 -0.648 50.3 148.5-136.3 81.6 -20.9 -79.0 42.7 33 34 A A E -a 3 0A 6 -10,-0.3 -29,-0.2 -2,-0.3 -31,-0.1 -0.809 25.3-167.8-116.5 146.9 -23.6 -76.3 43.1 34 35 A E E -a 4 0A 44 -31,-1.3 -29,-2.2 -2,-0.3 2,-0.3 -0.996 21.5-133.9-129.8 130.1 -24.1 -73.0 41.4 35 36 A P E +a 5 0A 29 0, 0.0 23,-0.7 0, 0.0 2,-0.3 -0.660 32.3 175.6 -80.6 138.0 -26.7 -70.5 42.8 36 37 A V E -j 58 0B 1 -31,-2.8 -29,-0.4 -2,-0.3 2,-0.3 -0.824 19.3-137.1-130.7 173.9 -28.9 -69.0 40.1 37 38 A R E -j 59 0B 46 21,-2.2 23,-2.5 -2,-0.3 -28,-0.1 -0.964 8.6-147.8-134.2 158.7 -31.9 -66.6 40.0 38 39 A L S S+ 0 0 28 -30,-0.5 2,-0.3 -2,-0.3 -28,-0.2 0.362 76.6 1.3-105.3 1.5 -35.2 -66.6 38.0 39 40 A G S S- 0 0 14 -31,-0.1 21,-0.0 -30,-0.1 22,-0.0 -0.962 94.3 -36.9-167.7-174.6 -35.6 -62.8 37.7 40 41 A Q - 0 0 123 -2,-0.3 2,-0.4 1,-0.1 -2,-0.1 -0.198 54.8-118.1 -57.9 141.2 -34.4 -59.3 38.4 41 42 A V - 0 0 20 -31,-0.1 -1,-0.1 -4,-0.1 -29,-0.1 -0.709 31.9-131.6 -79.3 128.7 -32.6 -58.4 41.6 42 43 A N > - 0 0 28 -31,-0.4 4,-2.9 -2,-0.4 5,-0.2 -0.355 23.5-102.5 -77.3 167.0 -34.6 -55.8 43.6 43 44 A G H > S+ 0 0 38 1,-0.2 4,-1.7 2,-0.2 144,-0.2 0.798 121.3 52.5 -58.1 -32.6 -33.1 -52.6 45.2 44 45 A E H > S+ 0 0 9 2,-0.2 4,-1.8 142,-0.2 -1,-0.2 0.942 112.6 42.8 -70.7 -46.9 -33.1 -54.2 48.7 45 46 A T H > S+ 0 0 0 1,-0.2 4,-2.7 2,-0.2 -2,-0.2 0.928 112.1 55.3 -62.0 -44.4 -31.3 -57.3 47.5 46 47 A Q H X S+ 0 0 65 -4,-2.9 4,-2.5 1,-0.2 -1,-0.2 0.837 104.3 54.1 -58.3 -38.2 -28.9 -55.1 45.5 47 48 A Y H X S+ 0 0 67 -4,-1.7 4,-2.6 2,-0.2 -1,-0.2 0.935 111.2 46.3 -55.8 -49.6 -28.1 -53.1 48.7 48 49 A A H X S+ 0 0 0 -4,-1.8 4,-2.1 2,-0.2 -2,-0.2 0.924 113.3 47.1 -62.5 -49.4 -27.2 -56.4 50.4 49 50 A L H <>S+ 0 0 0 -4,-2.7 5,-2.6 1,-0.2 -1,-0.2 0.888 114.8 47.3 -57.9 -46.1 -25.1 -57.7 47.5 50 51 A D H ><5S+ 0 0 105 -4,-2.5 3,-1.1 -5,-0.2 -2,-0.2 0.894 110.5 52.6 -63.8 -42.6 -23.3 -54.3 47.2 51 52 A Y H 3<5S+ 0 0 114 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.891 115.6 38.5 -63.4 -39.3 -22.6 -54.1 50.9 52 53 A F T 3<5S- 0 0 12 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.153 110.7-118.2-102.4 21.0 -21.0 -57.5 51.2 53 54 A K T < 5 + 0 0 194 -3,-1.1 2,-0.4 1,-0.2 -3,-0.2 0.844 65.0 140.6 50.9 48.6 -19.2 -57.2 47.8 54 55 A Q < - 0 0 64 -5,-2.6 -1,-0.2 -6,-0.1 -2,-0.1 -0.917 47.8-123.6-121.5 141.5 -20.9 -60.2 46.2 55 56 A E - 0 0 175 -2,-0.4 3,-0.1 1,-0.1 -5,-0.0 -0.441 32.3 -98.6 -81.6 163.0 -22.2 -60.6 42.6 56 57 A S - 0 0 41 -2,-0.1 3,-0.1 1,-0.1 -1,-0.1 -0.609 46.9-104.1 -71.4 139.1 -25.7 -61.4 41.6 57 58 A P - 0 0 9 0, 0.0 -21,-0.2 0, 0.0 -1,-0.1 -0.200 49.2 -83.8 -56.2 150.5 -26.3 -65.1 40.7 58 59 A R E -j 36 0B 94 -23,-0.7 -21,-2.2 1,-0.1 2,-0.3 -0.368 45.4-121.3 -60.5 136.7 -26.5 -65.9 37.0 59 60 A L E -j 37 0B 87 -23,-0.2 2,-0.3 -3,-0.1 -21,-0.2 -0.672 35.3-178.2 -81.0 131.8 -30.0 -65.4 35.6 60 61 A V - 0 0 9 -23,-2.5 3,-0.1 -2,-0.3 -24,-0.0 -0.957 28.3-170.4-127.1 153.1 -31.6 -68.5 34.1 61 62 A E S S+ 0 0 136 -2,-0.3 22,-0.7 1,-0.3 23,-0.4 0.669 80.4 21.2-103.5 -30.0 -34.9 -69.3 32.3 62 63 A T - 0 0 42 21,-0.1 -1,-0.3 20,-0.1 23,-0.0 -0.890 49.3-169.3-135.4 162.7 -34.5 -73.1 32.2 63 64 A A S >> S+ 0 0 0 -2,-0.3 4,-2.5 -3,-0.1 3,-2.1 0.660 74.9 74.8-119.9 -31.9 -32.6 -75.8 34.1 64 65 A A T 34 S+ 0 0 36 1,-0.3 21,-0.0 2,-0.2 5,-0.0 0.769 93.3 57.6 -63.0 -30.1 -33.0 -79.0 32.1 65 66 A N T 34 S+ 0 0 114 1,-0.1 -1,-0.3 3,-0.0 3,-0.1 0.612 118.3 32.8 -67.2 -18.5 -30.6 -77.9 29.4 66 67 A E T <4 S+ 0 0 76 -3,-2.1 2,-0.2 1,-0.3 -2,-0.2 0.827 124.8 5.3-106.1 -46.4 -27.9 -77.5 32.0 67 68 A V < - 0 0 8 -4,-2.5 -1,-0.3 1,-0.1 -64,-0.1 -0.819 48.5-136.7-137.4 170.1 -28.4 -80.1 34.8 68 69 A N S S+ 0 0 143 -66,-0.6 21,-3.2 -2,-0.2 2,-0.3 0.694 88.6 41.2 -98.9 -28.4 -30.4 -83.1 35.8 69 70 A G E -bc 3 89A 7 -67,-0.6 -65,-1.1 19,-0.2 2,-0.3 -0.918 62.3-175.8-127.5 143.7 -31.0 -82.2 39.5 70 71 A V E -bc 4 90A 0 19,-2.6 21,-2.9 -2,-0.3 22,-0.9 -0.894 17.8-139.7-129.2 166.9 -31.9 -79.0 41.3 71 72 A I E -bc 5 92A 1 -67,-2.1 -65,-2.0 -2,-0.3 2,-0.5 -1.000 17.3-149.3-125.7 128.4 -32.3 -77.7 44.9 72 73 A L E -bc 6 93A 1 20,-2.2 22,-2.8 -2,-0.4 2,-0.4 -0.821 11.9-170.8 -95.7 133.1 -35.1 -75.3 45.7 73 74 A V E + c 0 94A 0 -67,-2.1 22,-0.2 -2,-0.5 -65,-0.2 -0.950 68.1 5.0-115.6 143.8 -34.7 -72.8 48.5 74 75 A D S S+ 0 0 1 20,-2.3 2,-0.3 -2,-0.4 21,-0.2 0.572 121.8 46.7 70.0 11.8 -37.5 -70.6 49.9 75 76 A H + 0 0 0 19,-0.3 19,-0.2 -68,-0.1 24,-0.1 -0.970 40.8 177.4-166.1 166.3 -40.3 -72.1 47.8 76 77 A N + 0 0 2 -2,-0.3 5,-0.1 22,-0.2 23,-0.1 0.448 47.0 111.2-139.9 -27.6 -41.8 -75.3 46.7 77 78 A E > - 0 0 2 21,-0.2 3,-1.4 1,-0.1 4,-0.3 -0.300 65.0-131.3 -66.6 138.3 -44.9 -74.6 44.6 78 79 A R G > S+ 0 0 96 23,-1.9 3,-1.8 1,-0.3 7,-0.2 0.875 104.1 51.9 -47.2 -52.1 -44.6 -75.5 40.9 79 80 A Q G 3 S+ 0 0 50 1,-0.3 -1,-0.3 22,-0.1 126,-0.2 0.524 107.7 53.9 -74.1 -6.7 -46.0 -72.2 39.5 80 81 A Q G < S+ 0 0 8 -3,-1.4 -71,-2.6 124,-0.1 -1,-0.3 0.437 104.1 71.8 -97.4 -3.3 -43.6 -70.2 41.7 81 82 A S S < S- 0 0 1 -3,-1.8 -73,-0.1 -4,-0.3 -3,-0.1 -0.158 97.2 -45.2-106.8-164.1 -40.5 -72.1 40.4 82 83 A I > - 0 0 4 1,-0.1 3,-1.9 2,-0.1 -1,-0.2 -0.323 56.4-113.2 -69.3 145.3 -38.4 -72.4 37.2 83 84 A K T 3 S+ 0 0 150 -22,-0.7 3,-0.3 1,-0.3 -21,-0.1 0.807 114.9 38.0 -43.7 -43.1 -40.3 -72.7 33.9 84 85 A D T > S+ 0 0 17 -23,-0.4 3,-2.2 1,-0.2 4,-0.3 -0.049 71.3 132.9-110.4 34.6 -39.1 -76.2 33.3 85 86 A I G X + 0 0 19 -3,-1.9 3,-1.2 1,-0.3 -1,-0.2 0.788 68.0 64.1 -54.4 -29.0 -39.2 -77.6 36.9 86 87 A E G 3 S+ 0 0 157 -3,-0.3 -1,-0.3 1,-0.3 -2,-0.1 0.647 97.0 57.7 -71.9 -15.1 -41.1 -80.7 35.6 87 88 A E G < S+ 0 0 135 -3,-2.2 2,-0.3 2,-0.1 -1,-0.3 0.456 101.9 58.2 -95.5 -8.5 -38.1 -81.7 33.5 88 89 A V S < S- 0 0 16 -3,-1.2 2,-0.5 -4,-0.3 -19,-0.2 -0.827 85.7-107.4-119.6 162.3 -35.5 -81.9 36.3 89 90 A Q E -c 69 0A 79 -21,-3.2 -19,-2.6 -2,-0.3 2,-0.9 -0.756 24.2-136.9 -86.5 131.1 -35.3 -83.9 39.5 90 91 A V E +c 70 0A 16 -2,-0.5 -19,-0.2 -21,-0.2 3,-0.1 -0.798 25.9 178.6 -83.3 109.0 -35.9 -81.9 42.7 91 92 A L E - 0 0 59 -21,-2.9 18,-1.7 -2,-0.9 2,-0.3 0.836 61.7 -2.5 -80.3 -36.6 -33.1 -83.3 44.9 92 93 A E E -cd 71 109A 26 -22,-0.9 -20,-2.2 16,-0.2 2,-0.4 -0.985 53.6-156.0-152.3 154.9 -33.8 -81.1 48.0 93 94 A V E -cd 72 110A 0 16,-2.1 18,-2.9 -2,-0.3 2,-0.5 -0.993 5.8-174.8-133.2 127.8 -36.0 -78.3 49.2 94 95 A I E +cd 73 111A 0 -22,-2.8 -20,-2.3 -2,-0.4 -19,-0.3 -0.980 35.8 134.4-119.3 120.3 -35.1 -76.0 52.1 95 96 A D E - d 0 112A 0 16,-2.2 18,-1.6 -2,-0.5 22,-0.1 -0.889 52.8-153.2-157.8 173.6 -38.0 -73.8 52.8 96 97 A H + 0 0 1 -2,-0.3 2,-0.2 16,-0.2 16,-0.1 0.143 65.2 99.7-149.7 23.5 -40.5 -72.1 55.2 97 98 A Q S S- 0 0 17 1,-0.2 320,-0.4 319,-0.1 318,-0.1 -0.578 83.3 -84.5 -96.8 170.6 -43.7 -71.6 53.1 98 99 A R - 0 0 6 -2,-0.2 2,-0.5 318,-0.2 -21,-0.2 -0.311 50.8-111.3 -63.5 158.8 -46.8 -73.7 53.2 99 100 A I + 0 0 0 316,-0.4 314,-2.5 -23,-0.1 2,-0.3 -0.849 53.6 135.2 -99.0 130.5 -46.6 -76.8 50.9 100 101 A A + 0 0 0 -2,-0.5 -22,-0.2 312,-0.2 312,-0.1 -0.955 57.4 20.2-162.9 156.3 -48.7 -77.0 47.7 101 102 A N S S+ 0 0 39 -2,-0.3 -23,-1.9 -24,-0.2 2,-0.4 0.864 86.8 128.0 54.2 42.1 -48.4 -78.0 44.1 102 103 A F + 0 0 15 309,-0.3 2,-0.4 -25,-0.2 309,-0.3 -0.952 25.9 160.5-137.5 117.3 -45.3 -80.0 44.8 103 104 A E - 0 0 87 -2,-0.4 2,-0.3 306,-0.1 306,-0.2 -0.986 14.5-168.3-135.5 142.9 -44.8 -83.6 43.8 104 105 A T - 0 0 13 304,-2.6 4,-0.1 -2,-0.4 -15,-0.1 -0.953 23.1-141.7-125.0 153.4 -41.7 -85.8 43.3 105 106 A A S S+ 0 0 30 -2,-0.3 302,-0.2 302,-0.1 507,-0.1 0.737 87.9 27.7 -77.9 -26.1 -41.4 -89.2 41.7 106 107 A E S S- 0 0 78 1,-0.1 302,-0.4 300,-0.1 499,-0.1 -0.844 98.1 -75.4-131.6 165.0 -38.9 -90.3 44.4 107 108 A P + 0 0 26 0, 0.0 2,-0.3 0, 0.0 300,-0.2 -0.186 54.3 176.9 -51.7 152.6 -37.9 -89.7 48.0 108 109 A L - 0 0 4 298,-0.5 2,-1.1 314,-0.1 -16,-0.2 -0.957 41.1 -91.8-149.9 172.1 -36.0 -86.4 48.6 109 110 A Y E +d 92 0A 41 -18,-1.7 -16,-2.1 -2,-0.3 2,-0.5 -0.824 47.8 177.1 -89.3 102.8 -34.5 -84.3 51.3 110 111 A Y E +dE 93 421A 1 311,-1.8 311,-2.6 -2,-1.1 2,-0.4 -0.954 2.6 175.6-110.7 121.1 -37.4 -82.0 52.2 111 112 A R E +dE 94 420A 12 -18,-2.9 -16,-2.2 -2,-0.5 2,-0.4 -0.827 8.2 157.4-133.3 95.2 -36.6 -79.6 55.0 112 113 A A E -dE 95 419A 1 307,-2.8 307,-1.6 -2,-0.4 -16,-0.2 -0.951 11.8-179.6-117.0 138.6 -39.2 -77.0 56.0 113 114 A E - 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0 0 43 -2,-0.2 4,-1.9 1,-0.0 3,-0.4 -0.691 42.3 -98.3-115.4 172.7 -28.2 -96.2 53.8 468 160 B D H > S+ 0 0 148 1,-0.2 4,-2.3 -2,-0.2 5,-0.2 0.786 124.3 58.4 -56.2 -32.6 -25.1 -95.9 56.1 469 161 B Q H > S+ 0 0 86 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.872 104.8 48.5 -67.1 -38.5 -27.2 -93.7 58.3 470 162 B D H > S+ 0 0 0 -3,-0.4 4,-2.7 2,-0.2 -2,-0.2 0.913 111.7 49.7 -69.1 -39.0 -29.8 -96.5 58.8 471 163 B V H X S+ 0 0 67 -4,-1.9 4,-2.1 2,-0.2 -2,-0.2 0.914 112.4 47.1 -64.7 -44.1 -27.1 -99.0 59.6 472 164 B A H X S+ 0 0 45 -4,-2.3 4,-2.1 2,-0.2 -2,-0.2 0.903 112.4 49.6 -64.7 -42.6 -25.5 -96.7 62.2 473 165 B A H X S+ 0 0 3 -4,-2.3 4,-3.0 2,-0.2 5,-0.2 0.944 110.6 49.7 -61.5 -47.4 -28.9 -95.9 63.8 474 166 B A H X S+ 0 0 1 -4,-2.7 4,-2.8 1,-0.2 5,-0.2 0.908 109.2 53.2 -59.1 -41.5 -29.7 -99.6 64.0 475 167 B K H X S+ 0 0 157 -4,-2.1 4,-1.6 1,-0.2 -1,-0.2 0.923 113.3 42.6 -59.0 -44.4 -26.2 -100.3 65.6 476 168 B E H X S+ 0 0 72 -4,-2.1 4,-2.1 2,-0.2 -2,-0.2 0.920 115.5 49.3 -66.2 -44.7 -26.9 -97.6 68.3 477 169 B L H X S+ 0 0 0 -4,-3.0 4,-2.7 1,-0.2 -2,-0.2 0.863 108.8 52.2 -70.1 -34.6 -30.5 -98.7 68.8 478 170 B A H X>S+ 0 0 9 -4,-2.8 5,-1.7 2,-0.2 4,-1.4 0.863 108.7 49.9 -64.9 -43.4 -29.6 -102.4 69.2 479 171 B E H <5S+ 0 0 160 -4,-1.6 3,-0.3 -5,-0.2 -2,-0.2 0.942 114.4 45.5 -61.4 -44.0 -27.0 -101.7 71.8 480 172 B I H <5S+ 0 0 70 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.925 114.9 47.2 -65.3 -41.3 -29.6 -99.5 73.7 481 173 B A H <5S- 0 0 2 -4,-2.7 -1,-0.2 -5,-0.1 -2,-0.2 0.690 107.8-127.2 -75.2 -19.1 -32.3 -102.2 73.3 482 174 B G T <5 + 0 0 64 -4,-1.4 2,-0.3 1,-0.3 -3,-0.2 0.758 66.0 117.9 79.9 25.1 -29.9 -105.0 74.4 483 175 B V S - 0 0 95 -2,-0.3 4,-2.8 1,-0.1 5,-0.4 -0.857 27.9-149.2 -86.2 115.6 -28.5 -108.7 68.6 485 177 B A H > S+ 0 0 19 -2,-0.7 4,-1.9 1,-0.2 5,-0.2 0.818 92.3 49.9 -61.7 -31.5 -30.0 -107.0 65.6 486 178 B E H > S+ 0 0 84 2,-0.2 4,-2.0 3,-0.2 -1,-0.2 0.944 116.3 39.8 -69.0 -49.5 -29.3 -110.0 63.3 487 179 B E H > S+ 0 0 134 2,-0.2 4,-1.7 1,-0.2 -2,-0.2 0.951 121.0 42.5 -67.3 -53.2 -30.9 -112.6 65.5 488 180 B Y H X S+ 0 0 6 -4,-2.8 4,-2.4 1,-0.2 -2,-0.2 0.936 115.4 50.1 -58.2 -50.3 -33.8 -110.5 66.7 489 181 B G H X S+ 0 0 0 -4,-1.9 4,-2.9 -5,-0.4 -1,-0.2 0.816 106.0 53.9 -66.2 -35.6 -34.5 -109.2 63.2 490 182 B L H X S+ 0 0 76 -4,-2.0 4,-2.0 2,-0.2 -1,-0.2 0.937 112.5 45.2 -58.3 -49.7 -34.5 -112.5 61.5 491 183 B N H X S+ 0 0 62 -4,-1.7 4,-1.7 2,-0.2 -2,-0.2 0.891 114.1 49.6 -61.2 -39.9 -37.1 -113.7 63.9 492 184 B M H X S+ 0 0 0 -4,-2.4 4,-1.3 2,-0.2 -2,-0.2 0.930 111.2 47.6 -67.2 -46.9 -39.1 -110.5 63.6 493 185 B L H X S+ 0 0 9 -4,-2.9 4,-0.5 1,-0.2 -1,-0.2 0.871 110.1 53.0 -62.4 -38.1 -39.1 -110.6 59.8 494 186 B K H >< S+ 0 0 114 -4,-2.0 3,-0.9 1,-0.2 4,-0.4 0.861 101.1 59.7 -67.3 -35.2 -40.2 -114.3 59.7 495 187 B A H >< S+ 0 0 32 -4,-1.7 3,-0.8 1,-0.2 -1,-0.2 0.903 107.9 47.2 -57.8 -38.2 -43.1 -113.5 62.0 496 188 B G H 3< S+ 0 0 25 -4,-1.3 32,-0.3 1,-0.2 -1,-0.2 0.594 106.7 57.4 -77.1 -11.6 -44.3 -111.1 59.2 497 189 B A T << S+ 0 0 7 -3,-0.9 2,-1.0 -4,-0.5 33,-0.5 0.368 73.9 113.6-103.2 1.6 -43.8 -113.7 56.5 498 190 B D < + 0 0 99 -3,-0.8 -146,-0.1 -4,-0.4 3,-0.1 -0.647 35.0 168.5 -75.6 99.3 -46.1 -116.3 58.1 499 191 B L > + 0 0 27 -2,-1.0 3,-1.2 1,-0.1 -1,-0.2 0.303 40.7 106.2 -98.2 10.4 -48.9 -116.4 55.5 500 192 B S T 3 S+ 0 0 85 1,-0.3 2,-1.6 0, 0.0 -1,-0.1 0.975 86.0 32.7 -58.6 -70.9 -50.7 -119.5 56.9 501 193 B K T 3 S+ 0 0 183 -3,-0.1 2,-0.5 2,-0.0 -1,-0.3 -0.198 96.1 120.2 -80.4 48.5 -53.8 -118.0 58.5 502 194 B K < - 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