==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=1-MAR-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ISOMERASE 04-FEB-07 2JFQ . COMPND 2 MOLECULE: GLUTAMATE RACEMASE; . SOURCE 2 ORGANISM_SCIENTIFIC: STAPHYLOCOCCUS AUREUS; . AUTHOR T.LUNDQVIST . 532 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 21773.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 385 72.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 84 15.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 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 . 35 6.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 53 10.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 189 35.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 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 0 0 3 3 0 2 2 4 2 0 2 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 2 0 8 4 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 PARALLEL BRIDGES PER LADDER . 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 ANTIPARALLEL BRIDGES PER LADDER . 0 0 2 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 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 90 0, 0.0 65,-0.1 0, 0.0 2,-0.0 0.000 360.0 360.0 360.0 153.4 29.5 7.0 43.8 2 2 A N + 0 0 101 224,-0.1 223,-0.1 26,-0.1 224,-0.0 -0.121 360.0 118.1 -92.5 37.7 27.8 10.2 42.5 3 3 A K S S- 0 0 70 1,-0.1 26,-0.4 -2,-0.0 62,-0.2 -0.709 71.3 -99.8 -98.0 153.4 25.9 8.2 39.9 4 4 A P - 0 0 17 0, 0.0 62,-2.3 0, 0.0 63,-0.6 -0.265 26.4-119.1 -73.0 162.8 22.1 8.2 40.0 5 5 A I E -ab 30 67A 0 24,-3.4 26,-2.5 60,-0.2 2,-0.4 -0.891 29.1-135.6 -99.4 126.9 19.9 5.5 41.4 6 6 A G E -ab 31 68A 0 61,-2.9 63,-3.1 -2,-0.5 2,-0.4 -0.687 21.1-172.9 -87.6 138.0 17.7 4.0 38.8 7 7 A V E -ab 32 69A 0 24,-2.8 26,-2.8 -2,-0.4 2,-0.3 -0.982 1.2-172.8-133.9 121.0 14.0 3.4 39.8 8 8 A I E +ab 33 70A 1 61,-2.3 63,-2.0 -2,-0.4 64,-0.8 -0.858 10.1 162.1-115.1 149.9 11.6 1.6 37.5 9 9 A D E -a 34 0A 2 24,-2.0 26,-2.4 -2,-0.3 27,-0.1 -0.964 51.1-106.1-156.1 165.2 7.9 1.1 37.9 10 10 A S S S- 0 0 0 -2,-0.3 28,-0.4 24,-0.2 29,-0.3 0.726 92.4 -53.2 -69.4 -22.0 4.8 0.1 35.9 11 11 A G S S- 0 0 0 23,-0.1 25,-0.2 22,-0.1 -2,-0.1 -0.445 100.0 -18.8-171.9-112.6 3.7 3.8 36.0 12 12 A V S > S+ 0 0 2 -2,-0.1 3,-2.1 1,-0.1 4,-0.2 0.700 108.9 79.8 -97.5 -24.9 3.1 6.5 38.6 13 13 A G T > S+ 0 0 0 1,-0.3 3,-2.3 2,-0.2 4,-0.3 0.838 80.0 67.8 -52.3 -40.4 2.8 4.4 41.7 14 14 A G T >> S+ 0 0 0 1,-0.3 4,-2.2 2,-0.2 3,-1.5 0.666 78.2 84.1 -57.0 -15.2 6.5 3.9 42.1 15 15 A L H <> S+ 0 0 0 -3,-2.1 4,-2.4 1,-0.3 -1,-0.3 0.745 79.8 63.8 -61.7 -20.9 6.7 7.6 42.9 16 16 A T H <> S+ 0 0 15 -3,-2.3 4,-0.9 2,-0.2 -1,-0.3 0.803 106.7 44.0 -71.1 -27.2 5.8 6.7 46.5 17 17 A V H <> S+ 0 0 1 -3,-1.5 4,-1.9 -4,-0.3 3,-0.3 0.915 112.3 50.5 -79.7 -46.9 9.1 4.8 46.6 18 18 A A H X S+ 0 0 0 -4,-2.2 4,-2.2 1,-0.2 -2,-0.2 0.893 108.2 54.9 -56.3 -41.8 11.0 7.6 44.9 19 19 A K H X S+ 0 0 104 -4,-2.4 4,-1.5 1,-0.2 -1,-0.2 0.857 107.9 48.0 -61.5 -37.5 9.6 10.1 47.4 20 20 A E H X S+ 0 0 20 -4,-0.9 4,-2.6 -3,-0.3 5,-0.3 0.833 109.4 52.9 -74.9 -31.1 10.8 8.0 50.3 21 21 A I H X S+ 0 0 0 -4,-1.9 4,-2.6 2,-0.2 7,-0.2 0.897 109.2 49.6 -69.5 -39.3 14.3 7.7 48.8 22 22 A M H < S+ 0 0 32 -4,-2.2 -2,-0.2 2,-0.2 -1,-0.2 0.867 114.5 45.4 -66.4 -36.9 14.5 11.5 48.4 23 23 A R H < S+ 0 0 62 -4,-1.5 -2,-0.2 -5,-0.2 -1,-0.2 0.921 122.7 33.6 -73.0 -45.3 13.4 12.0 52.0 24 24 A Q H < S+ 0 0 1 -4,-2.6 -2,-0.2 1,-0.2 -3,-0.2 0.746 130.7 34.1 -83.6 -24.2 15.7 9.4 53.6 25 25 A L >< + 0 0 2 -4,-2.6 3,-1.7 -5,-0.3 -1,-0.2 -0.532 67.1 166.8-131.0 66.1 18.6 9.8 51.1 26 26 A P T 3 S+ 0 0 22 0, 0.0 373,-0.1 0, 0.0 -1,-0.1 0.651 73.6 58.8 -54.7 -21.9 18.6 13.6 50.2 27 27 A N T 3 S+ 0 0 9 371,-0.6 2,-0.1 199,-0.1 200,-0.1 0.690 87.6 96.0 -83.7 -17.5 22.1 13.4 48.5 28 28 A E < - 0 0 3 -3,-1.7 2,-0.5 -7,-0.2 206,-0.1 -0.420 67.7-136.8 -78.9 148.1 21.1 10.8 46.0 29 29 A T - 0 0 25 -26,-0.4 -24,-3.4 -2,-0.1 2,-0.4 -0.882 19.1-149.5-103.3 130.3 20.0 11.5 42.4 30 30 A I E -a 5 0A 0 -2,-0.5 205,-2.4 -26,-0.2 2,-0.6 -0.870 14.1-169.4-107.8 133.3 17.0 9.6 41.1 31 31 A Y E -ac 6 235A 37 -26,-2.5 -24,-2.8 -2,-0.4 2,-0.4 -0.975 21.0-169.3-117.6 108.6 16.4 8.5 37.5 32 32 A Y E -ac 7 236A 0 203,-2.6 205,-2.9 -2,-0.6 2,-0.5 -0.865 12.5-172.7-106.7 132.4 12.8 7.2 37.4 33 33 A L E -ac 8 237A 1 -26,-2.8 -24,-2.0 -2,-0.4 2,-0.5 -0.973 2.9-170.2-127.2 118.6 11.2 5.4 34.5 34 34 A G E -ac 9 238A 0 203,-2.3 2,-1.9 -2,-0.5 205,-1.6 -0.933 19.8-144.5-110.0 124.2 7.4 4.6 34.6 35 35 A D >> + 0 0 1 -26,-2.4 3,-2.5 -2,-0.5 4,-0.9 -0.293 42.0 151.8 -81.2 54.0 6.0 2.3 31.9 36 36 A I T 34 + 0 0 35 -2,-1.9 3,-0.4 1,-0.3 -1,-0.2 0.807 62.1 71.5 -55.4 -30.5 2.8 4.2 31.7 37 37 A G T 34 S+ 0 0 46 -3,-0.3 -1,-0.3 1,-0.2 -2,-0.1 0.633 114.8 22.2 -62.6 -11.3 2.4 3.1 28.1 38 38 A R T <4 S+ 0 0 42 -3,-2.5 -1,-0.2 -28,-0.4 -2,-0.2 0.381 96.2 154.4-137.1 4.1 1.7 -0.4 29.4 39 39 A C < + 0 0 40 -4,-0.9 2,-0.1 -3,-0.4 -28,-0.0 -0.389 35.6 69.3 -74.1 160.6 0.4 -0.2 33.0 40 40 A P + 0 0 62 0, 0.0 4,-0.1 0, 0.0 -29,-0.0 0.501 47.3 173.4 -80.8 154.9 -1.3 -1.7 34.9 41 41 A Y > + 0 0 0 2,-0.1 3,-1.5 1,-0.1 8,-0.1 0.755 62.1 84.5 -92.9 -31.6 0.9 -4.7 35.5 42 42 A G T 3 S+ 0 0 3 1,-0.3 76,-1.3 75,-0.1 -1,-0.1 0.798 96.2 36.1 -39.9 -51.5 -1.2 -6.2 38.3 43 43 A P T 3 S+ 0 0 83 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.556 99.3 101.2 -85.1 -7.3 -3.8 -8.1 36.0 44 44 A R S < S- 0 0 69 -3,-1.5 2,-0.2 1,-0.1 -3,-0.1 -0.325 86.6 -89.1 -76.4 159.4 -1.2 -9.1 33.4 45 45 A P >> - 0 0 80 0, 0.0 4,-2.1 0, 0.0 3,-1.2 -0.474 34.4-125.7 -67.9 133.8 0.5 -12.6 33.1 46 46 A G H 3> S+ 0 0 33 1,-0.3 4,-2.5 2,-0.2 5,-0.2 0.848 109.9 55.8 -48.6 -41.5 3.6 -12.8 35.2 47 47 A E H 3> S+ 0 0 146 1,-0.2 4,-1.6 2,-0.2 -1,-0.3 0.843 109.2 47.5 -62.9 -33.0 5.7 -13.9 32.3 48 48 A Q H <> S+ 0 0 63 -3,-1.2 4,-2.5 2,-0.2 -1,-0.2 0.879 110.0 51.4 -75.3 -39.2 4.6 -10.8 30.4 49 49 A V H X S+ 0 0 1 -4,-2.1 4,-2.9 2,-0.2 5,-0.2 0.901 107.9 53.8 -63.8 -40.0 5.4 -8.5 33.3 50 50 A K H X S+ 0 0 60 -4,-2.5 4,-2.5 -5,-0.2 5,-0.2 0.948 109.5 47.3 -59.6 -49.8 8.8 -10.0 33.6 51 51 A Q H X S+ 0 0 110 -4,-1.6 4,-2.2 1,-0.2 -2,-0.2 0.937 114.5 46.7 -56.7 -50.5 9.5 -9.3 29.9 52 52 A Y H X S+ 0 0 31 -4,-2.5 4,-2.3 1,-0.2 -1,-0.2 0.892 112.1 50.4 -59.4 -44.1 8.3 -5.7 30.2 53 53 A T H X S+ 0 0 0 -4,-2.9 4,-2.1 2,-0.2 -1,-0.2 0.899 110.1 49.0 -63.7 -42.3 10.2 -5.1 33.4 54 54 A V H X S+ 0 0 12 -4,-2.5 4,-2.5 -5,-0.2 -1,-0.2 0.906 110.3 54.2 -63.1 -40.5 13.5 -6.4 31.9 55 55 A E H X S+ 0 0 48 -4,-2.2 4,-1.6 -5,-0.2 -2,-0.2 0.922 110.8 42.5 -59.8 -48.8 12.8 -4.1 28.9 56 56 A I H X S+ 0 0 1 -4,-2.3 4,-2.2 1,-0.2 -1,-0.2 0.861 112.0 56.0 -70.7 -30.5 12.4 -0.9 30.9 57 57 A A H X S+ 0 0 0 -4,-2.1 4,-2.0 -5,-0.2 -2,-0.2 0.937 107.3 47.9 -64.6 -45.7 15.4 -1.9 33.0 58 58 A R H < S+ 0 0 155 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.863 111.0 53.1 -62.6 -34.8 17.7 -2.2 30.0 59 59 A K H >< S+ 0 0 66 -4,-1.6 3,-1.3 1,-0.2 -1,-0.2 0.914 109.5 46.3 -66.1 -45.0 16.4 1.2 28.7 60 60 A L H >< S+ 0 0 1 -4,-2.2 3,-2.1 1,-0.3 5,-0.2 0.833 102.4 66.2 -68.4 -31.7 17.2 3.0 32.0 61 61 A M T 3< S+ 0 0 52 -4,-2.0 -1,-0.3 1,-0.3 -2,-0.2 0.428 76.1 83.2 -72.1 3.2 20.6 1.4 32.1 62 62 A E T < S+ 0 0 133 -3,-1.3 -1,-0.3 2,-0.1 2,-0.3 0.681 88.8 69.0 -74.5 -16.9 21.5 3.4 29.0 63 63 A F S < S- 0 0 65 -3,-2.1 2,-2.2 -4,-0.1 -57,-0.1 -0.706 107.2-103.0 -97.0 153.4 22.1 5.9 31.7 64 64 A D + 0 0 105 -2,-0.3 2,-0.2 2,-0.0 -3,-0.1 -0.349 56.2 165.9 -79.1 64.5 25.0 5.5 34.1 65 65 A I - 0 0 8 -2,-2.2 -60,-0.2 -5,-0.2 3,-0.1 -0.485 31.8-155.6 -79.8 147.6 23.1 4.3 37.2 66 66 A K S S+ 0 0 4 -62,-2.3 24,-0.7 1,-0.2 2,-0.3 0.548 77.8 16.3 -97.6 -10.5 24.9 2.6 40.1 67 67 A M E -bd 5 90A 1 -63,-0.6 -61,-2.9 22,-0.2 2,-0.5 -0.987 65.4-137.6-160.3 150.8 21.9 0.7 41.4 68 68 A L E -bd 6 91A 0 22,-2.9 24,-2.4 -2,-0.3 2,-0.5 -0.969 14.3-168.4-119.6 122.5 18.5 -0.4 40.2 69 69 A V E -bd 7 92A 0 -63,-3.1 -61,-2.3 -2,-0.5 2,-1.1 -0.947 12.2-151.8-109.9 123.6 15.4 -0.2 42.4 70 70 A I E -bd 8 93A 0 22,-2.9 24,-1.0 -2,-0.5 -61,-0.2 -0.816 16.1-179.7 -94.8 97.4 12.2 -2.1 41.2 71 71 A A + 0 0 0 -63,-2.0 2,-0.4 -2,-1.1 -62,-0.2 0.763 55.2 90.0 -69.0 -26.8 9.6 0.1 42.9 72 72 A C > - 0 0 0 -64,-0.8 4,-2.5 1,-0.2 22,-0.3 -0.598 61.3-159.5 -78.0 123.3 6.7 -2.1 41.5 73 73 A N H > S+ 0 0 0 460,-1.8 4,-1.9 -2,-0.4 -1,-0.2 0.862 94.7 52.3 -69.1 -35.1 5.7 -4.9 43.7 74 74 A T H > S+ 0 0 4 2,-0.2 4,-0.7 1,-0.2 -1,-0.2 0.917 114.1 41.6 -66.0 -45.9 4.1 -6.7 40.8 75 75 A A H >> S+ 0 0 2 1,-0.2 4,-2.4 2,-0.2 3,-0.7 0.887 111.3 56.1 -68.6 -40.4 7.2 -6.5 38.7 76 76 A T H 3X S+ 0 0 8 -4,-2.5 4,-1.6 1,-0.2 5,-0.4 0.908 99.2 63.4 -57.7 -42.7 9.5 -7.3 41.7 77 77 A A H 3< S+ 0 0 25 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.801 119.2 20.4 -53.4 -36.1 7.6 -10.6 42.1 78 78 A V H << S+ 0 0 47 -3,-0.7 4,-0.2 -4,-0.7 -1,-0.2 0.615 130.8 36.2-113.2 -14.0 8.6 -12.0 38.8 79 79 A A H X S+ 0 0 0 -4,-2.4 4,-2.3 -5,-0.1 5,-0.2 0.620 87.5 83.1-117.8 -12.7 11.7 -10.1 37.7 80 80 A L H X S+ 0 0 7 -4,-1.6 4,-3.2 -5,-0.4 5,-0.3 0.935 93.8 50.6 -58.0 -48.8 13.9 -9.3 40.6 81 81 A E H > S+ 0 0 119 -5,-0.4 4,-1.9 1,-0.2 -1,-0.2 0.923 112.1 46.7 -55.6 -49.1 15.6 -12.7 40.7 82 82 A Y H > S+ 0 0 76 -4,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.927 114.8 46.1 -60.3 -47.5 16.4 -12.6 37.0 83 83 A L H X S+ 0 0 3 -4,-2.3 4,-2.6 1,-0.2 -2,-0.2 0.864 110.0 53.9 -67.3 -39.8 17.8 -9.1 37.1 84 84 A Q H < S+ 0 0 78 -4,-3.2 -1,-0.2 -5,-0.2 -2,-0.2 0.895 114.1 42.2 -60.5 -39.1 19.9 -9.8 40.2 85 85 A K H < S+ 0 0 156 -4,-1.9 -2,-0.2 -5,-0.3 -1,-0.2 0.914 120.4 41.9 -73.4 -38.8 21.4 -12.7 38.5 86 86 A T H < S+ 0 0 76 -4,-2.4 -2,-0.2 -5,-0.2 -3,-0.2 0.895 103.0 65.5 -78.4 -46.0 21.9 -10.9 35.1 87 87 A L < - 0 0 38 -4,-2.6 4,-0.1 -5,-0.2 0, 0.0 -0.376 64.5-146.3 -80.8 159.6 23.1 -7.4 36.0 88 88 A S S S+ 0 0 129 -2,-0.1 2,-0.2 2,-0.1 -1,-0.1 0.625 79.5 78.7 -97.3 -17.8 26.4 -6.5 37.7 89 89 A I S S- 0 0 44 1,-0.1 -22,-0.2 -24,-0.0 2,-0.1 -0.516 98.6 -86.1 -87.3 160.3 25.0 -3.6 39.6 90 90 A S E -d 67 0A 32 -24,-0.7 -22,-2.9 -2,-0.2 2,-0.4 -0.431 42.5-165.4 -67.7 136.5 22.9 -4.0 42.7 91 91 A V E +d 68 0A 11 -24,-0.2 2,-0.4 -2,-0.1 -22,-0.2 -0.994 8.3 179.0-126.9 127.4 19.2 -4.6 42.2 92 92 A I E -d 69 0A 12 -24,-2.4 -22,-2.9 -2,-0.4 2,-0.2 -0.972 9.0-157.8-130.3 143.7 16.7 -4.3 45.0 93 93 A G E -d 70 0A 1 -2,-0.4 -22,-0.2 -24,-0.2 -20,-0.1 -0.642 27.1-116.3-113.4 174.3 12.9 -4.8 45.0 94 94 A V S > S+ 0 0 0 -24,-1.0 4,-0.6 -22,-0.3 -21,-0.1 0.465 99.6 68.3 -91.3 -1.8 10.1 -3.6 47.2 95 95 A I H > S+ 0 0 1 -23,-0.1 4,-2.5 2,-0.1 3,-0.5 0.954 95.3 48.1 -82.4 -53.4 8.9 -7.0 48.5 96 96 A E H > S+ 0 0 31 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.861 107.1 55.9 -58.3 -39.0 11.8 -8.2 50.7 97 97 A P H > S+ 0 0 0 0, 0.0 4,-1.5 0, 0.0 -1,-0.2 0.883 113.1 43.4 -62.3 -34.8 12.2 -4.9 52.6 98 98 A G H X S+ 0 0 0 -4,-0.6 4,-2.0 -3,-0.5 -2,-0.2 0.892 112.2 51.7 -75.1 -40.4 8.5 -5.2 53.6 99 99 A A H X S+ 0 0 2 -4,-2.5 4,-1.8 1,-0.2 -1,-0.2 0.914 111.1 49.2 -60.8 -42.5 8.7 -8.9 54.4 100 100 A R H X S+ 0 0 2 -4,-2.7 4,-1.5 1,-0.2 -1,-0.2 0.858 110.4 49.6 -65.5 -39.6 11.7 -8.2 56.6 101 101 A T H X S+ 0 0 4 -4,-1.5 4,-2.4 -5,-0.2 -1,-0.2 0.844 107.5 55.0 -69.7 -33.1 9.9 -5.4 58.4 102 102 A A H X S+ 0 0 0 -4,-2.0 4,-2.7 2,-0.2 -2,-0.2 0.900 106.3 51.3 -65.3 -40.3 6.9 -7.6 59.0 103 103 A I H < S+ 0 0 3 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.876 112.4 47.8 -63.7 -35.8 9.1 -10.2 60.6 104 104 A M H < S+ 0 0 6 -4,-1.5 -2,-0.2 1,-0.1 -1,-0.2 0.868 118.5 37.9 -73.2 -38.8 10.4 -7.5 62.9 105 105 A T H < S+ 0 0 35 -4,-2.4 -2,-0.2 -5,-0.1 -3,-0.2 0.809 90.7 97.4 -87.1 -30.3 7.0 -6.0 63.8 106 106 A T < + 0 0 1 -4,-2.7 5,-0.1 -5,-0.2 71,-0.0 -0.318 38.3 175.7 -64.4 139.6 4.8 -9.1 64.2 107 107 A R S S+ 0 0 166 3,-0.2 -1,-0.1 -2,-0.0 -4,-0.0 0.618 82.5 43.1-113.1 -26.2 4.3 -10.5 67.7 108 108 A N S S- 0 0 71 2,-0.2 3,-0.1 68,-0.1 -2,-0.1 0.317 105.8-119.7-103.1 7.6 1.8 -13.2 67.0 109 109 A Q S S+ 0 0 55 1,-0.2 28,-3.4 27,-0.1 2,-0.4 0.852 74.9 123.4 59.7 36.1 3.6 -14.5 63.8 110 110 A N E -f 137 0B 16 26,-0.2 68,-1.3 66,-0.1 69,-1.0 -0.952 37.3-178.1-132.8 112.8 0.5 -13.8 61.7 111 111 A V E -fg 138 179B 0 26,-3.0 28,-2.3 -2,-0.4 2,-0.5 -0.923 15.4-154.2-119.1 137.3 0.9 -11.5 58.7 112 112 A L E -fg 139 180B 0 67,-3.0 69,-3.1 -2,-0.4 2,-0.5 -0.902 11.7-159.4-107.1 130.4 -1.6 -10.2 56.1 113 113 A V E -fg 140 181B 4 26,-3.4 28,-3.1 -2,-0.5 2,-0.4 -0.945 4.9-168.8-115.6 123.4 -0.4 -9.2 52.7 114 114 A L E +fg 141 182B 0 67,-2.4 69,-1.8 -2,-0.5 2,-0.3 -0.904 30.4 115.0-109.1 136.7 -2.4 -6.8 50.4 115 115 A G E -fg 142 183B 0 26,-1.6 28,-2.5 -2,-0.4 69,-0.2 -0.954 59.9 -51.1-173.7-170.7 -1.5 -6.4 46.7 116 116 A T > - 0 0 7 67,-0.5 4,-2.8 -2,-0.3 5,-0.3 -0.309 57.3-101.9 -77.7 167.7 -2.4 -6.8 43.1 117 117 A E H > S+ 0 0 86 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.895 124.0 51.1 -56.2 -42.1 -3.5 -10.1 41.6 118 118 A G H > S+ 0 0 15 -76,-1.3 4,-1.6 2,-0.2 -1,-0.2 0.923 111.6 45.8 -63.5 -44.5 -0.1 -10.7 40.2 119 119 A T H >>S+ 0 0 1 2,-0.2 4,-0.8 1,-0.2 5,-0.8 0.958 116.9 43.5 -62.9 -51.5 1.7 -10.0 43.5 120 120 A I H ><5S+ 0 0 36 -4,-2.8 3,-0.9 1,-0.2 -2,-0.2 0.910 111.7 55.2 -59.9 -44.3 -0.7 -12.2 45.5 121 121 A K H 3<5S+ 0 0 139 -4,-2.7 -1,-0.2 -5,-0.3 -2,-0.2 0.815 103.1 55.2 -60.8 -33.4 -0.6 -14.9 42.9 122 122 A S H 3<5S- 0 0 41 -4,-1.6 -1,-0.2 -3,-0.3 -2,-0.2 0.734 92.2-146.2 -73.3 -22.8 3.2 -15.1 42.9 123 123 A E T < + 0 0 9 -5,-0.8 4,-2.6 1,-0.2 5,-0.2 0.882 66.4 50.4 -60.6 -40.3 6.5 -13.8 46.7 125 125 A Y H > S+ 0 0 6 -6,-0.3 4,-2.2 2,-0.2 5,-0.3 0.953 110.8 46.1 -65.2 -50.7 5.8 -12.5 50.2 126 126 A R H > S+ 0 0 113 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.930 114.5 51.1 -57.7 -43.8 5.0 -15.8 51.8 127 127 A T H X S+ 0 0 50 -4,-2.5 4,-1.5 1,-0.2 -2,-0.2 0.951 112.4 42.8 -59.1 -52.9 8.1 -17.3 50.1 128 128 A H H X S+ 0 0 41 -4,-2.6 4,-0.8 1,-0.2 -1,-0.2 0.801 116.5 48.7 -66.0 -29.3 10.5 -14.6 51.3 129 129 A I H >X S+ 0 0 0 -4,-2.2 4,-3.2 -5,-0.2 3,-0.5 0.917 110.6 49.2 -75.6 -44.7 9.1 -14.5 54.8 130 130 A K H 3< S+ 0 0 55 -4,-2.6 -2,-0.2 -5,-0.3 -1,-0.2 0.774 104.3 61.6 -64.2 -28.9 9.1 -18.3 55.2 131 131 A R H 3< S+ 0 0 145 -4,-1.5 -1,-0.2 -5,-0.2 -2,-0.2 0.862 118.5 26.4 -65.9 -36.1 12.7 -18.4 54.0 132 132 A I H << S+ 0 0 16 -4,-0.8 161,-0.6 -3,-0.5 -2,-0.2 0.881 140.9 14.5 -93.7 -49.0 13.8 -16.2 57.0 133 133 A N >< - 0 0 2 -4,-3.2 3,-1.3 -5,-0.1 -1,-0.2 -0.813 61.1-179.0-133.6 91.8 11.2 -17.0 59.7 134 134 A P T 3 S+ 0 0 38 0, 0.0 -4,-0.1 0, 0.0 -1,-0.1 0.531 76.5 74.0 -67.1 -7.9 9.2 -20.1 58.8 135 135 A H T 3 S+ 0 0 113 2,-0.1 2,-0.3 -5,-0.0 -5,-0.1 0.810 75.9 96.7 -75.6 -29.6 7.2 -19.6 62.0 136 136 A V < - 0 0 0 -3,-1.3 2,-0.3 -7,-0.2 -26,-0.2 -0.446 69.1-142.1 -69.9 124.3 5.3 -16.7 60.5 137 137 A E E -f 110 0B 88 -28,-3.4 -26,-3.0 -2,-0.3 2,-0.4 -0.666 20.5-161.4 -83.5 136.4 1.9 -17.5 59.0 138 138 A V E +f 111 0B 19 -2,-0.3 2,-0.4 -28,-0.2 -26,-0.2 -0.980 14.7 179.2-131.1 129.7 1.2 -15.5 55.8 139 139 A H E -f 112 0B 59 -28,-2.3 -26,-3.4 -2,-0.4 2,-0.4 -0.987 11.7-157.2-125.7 133.6 -2.1 -14.7 54.0 140 140 A G E -f 113 0B 38 -2,-0.4 2,-0.4 -28,-0.2 -26,-0.2 -0.900 7.2-173.2-114.8 140.7 -2.4 -12.7 50.8 141 141 A V E -f 114 0B 18 -28,-3.1 -26,-1.6 -2,-0.4 2,-0.3 -0.992 20.3-135.2-132.3 124.3 -5.5 -10.8 49.6 142 142 A A E -f 115 0B 37 -2,-0.4 -26,-0.2 -28,-0.2 -25,-0.1 -0.585 14.6-168.2 -77.7 138.5 -5.7 -9.1 46.1 143 143 A C > + 0 0 0 -28,-2.5 3,-2.4 -2,-0.3 4,-0.5 -0.443 13.9 168.8-126.8 61.0 -7.2 -5.6 46.2 144 144 A P T > S+ 0 0 98 0, 0.0 3,-0.5 0, 0.0 -1,-0.1 0.755 72.6 59.2 -42.9 -39.0 -7.9 -4.7 42.5 145 145 A G T 3> S+ 0 0 29 1,-0.2 4,-1.5 2,-0.1 20,-0.1 0.651 89.1 74.2 -71.5 -13.2 -10.0 -1.7 43.3 146 146 A F H <> S+ 0 0 0 -3,-2.4 4,-1.9 2,-0.2 -1,-0.2 0.888 90.6 53.7 -67.6 -41.7 -7.2 0.1 45.3 147 147 A V H <> S+ 0 0 17 -3,-0.5 4,-3.1 -4,-0.5 5,-0.3 0.956 109.3 46.0 -59.7 -54.1 -5.1 1.1 42.3 148 148 A P H > S+ 0 0 53 0, 0.0 4,-2.8 0, 0.0 -1,-0.2 0.918 110.6 55.8 -55.7 -42.9 -7.8 2.9 40.3 149 149 A L H <>S+ 0 0 15 -4,-1.5 5,-2.3 1,-0.2 6,-0.3 0.903 114.6 38.0 -55.7 -45.2 -8.9 4.7 43.5 150 150 A V H ><5S+ 0 0 0 -4,-1.9 3,-1.5 3,-0.2 5,-0.2 0.913 116.5 50.2 -74.4 -45.1 -5.4 6.1 44.0 151 151 A E H 3<5S+ 0 0 34 -4,-3.1 -2,-0.2 1,-0.3 -1,-0.2 0.872 109.4 51.4 -61.6 -39.6 -4.6 6.8 40.4 152 152 A Q T 3<5S- 0 0 131 -4,-2.8 -1,-0.3 -5,-0.3 -2,-0.2 0.243 116.3-116.2 -84.4 15.2 -7.9 8.7 39.8 153 153 A M T < 5S+ 0 0 62 -3,-1.5 -3,-0.2 1,-0.1 -2,-0.1 0.938 77.9 123.8 50.9 60.6 -7.1 10.8 42.9 154 154 A R > < + 0 0 140 -5,-2.3 3,-0.7 -6,-0.1 -4,-0.2 0.199 36.6 98.9-130.4 12.8 -10.1 9.7 45.0 155 155 A Y T 3 + 0 0 39 -6,-0.3 -5,-0.1 -5,-0.2 -1,-0.1 0.400 67.3 81.3 -81.3 3.5 -8.2 8.5 48.1 156 156 A S T 3 S+ 0 0 101 1,-0.1 -1,-0.2 -3,-0.0 -2,-0.1 0.740 74.2 71.3 -83.6 -27.0 -9.0 11.8 49.8 157 157 A D <> - 0 0 50 -3,-0.7 4,-1.8 1,-0.1 5,-0.3 -0.840 66.5-149.3-100.9 121.0 -12.5 11.3 51.1 158 158 A P H > S+ 0 0 102 0, 0.0 4,-1.5 0, 0.0 5,-0.2 0.748 92.4 67.7 -51.7 -27.2 -13.0 8.9 54.0 159 159 A T H > S+ 0 0 95 1,-0.2 4,-1.6 2,-0.2 3,-0.1 0.996 107.3 30.3 -62.2 -57.4 -16.5 8.1 52.6 160 160 A I H > S+ 0 0 62 -3,-0.3 4,-2.3 1,-0.2 5,-0.3 0.793 114.2 57.4 -79.5 -46.9 -15.5 6.4 49.6 161 161 A T H X S+ 0 0 3 -4,-1.8 4,-2.8 2,-0.2 5,-0.3 0.918 106.2 52.4 -58.6 -39.3 -12.3 4.8 50.6 162 162 A S H X S+ 0 0 60 -4,-1.5 4,-3.0 -5,-0.3 -2,-0.2 0.920 109.5 50.8 -63.6 -38.9 -14.1 3.1 53.4 163 163 A I H X S+ 0 0 100 -4,-1.6 4,-2.2 2,-0.2 -2,-0.2 0.959 114.4 41.3 -62.2 -53.1 -16.6 1.7 50.9 164 164 A V H X S+ 0 0 38 -4,-2.3 4,-1.0 1,-0.2 -2,-0.2 0.901 117.5 48.8 -62.9 -41.5 -14.0 0.4 48.5 165 165 A I H >X S+ 0 0 0 -4,-2.8 4,-3.6 -5,-0.3 3,-0.6 0.944 110.8 49.4 -64.5 -48.3 -11.9 -1.0 51.4 166 166 A H H 3X S+ 0 0 71 -4,-3.0 4,-2.1 -5,-0.3 -2,-0.2 0.923 107.6 53.2 -58.8 -46.8 -14.7 -2.7 53.2 167 167 A Q H 3< S+ 0 0 114 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.780 118.8 37.9 -60.9 -24.1 -16.0 -4.4 50.0 168 168 A T H << S+ 0 0 35 -4,-1.0 3,-0.2 -3,-0.6 -2,-0.2 0.869 128.6 28.4 -92.6 -43.8 -12.5 -5.8 49.5 169 169 A L H >X S+ 0 0 0 -4,-3.6 3,-2.1 1,-0.2 4,-0.9 0.303 81.5 110.8-104.7 9.8 -11.4 -6.5 53.1 170 170 A K G >< S+ 0 0 58 -4,-2.1 3,-0.9 1,-0.3 4,-0.3 0.884 78.5 55.0 -50.6 -45.6 -14.7 -7.3 54.9 171 171 A R G 34 S+ 0 0 193 1,-0.2 -1,-0.3 -3,-0.2 -2,-0.1 0.644 117.7 36.8 -64.2 -13.9 -13.8 -11.0 55.3 172 172 A W G X4 S+ 0 0 67 -3,-2.1 3,-2.2 1,-0.1 -1,-0.2 0.388 78.1 109.9-119.1 1.5 -10.5 -9.9 57.0 173 173 A R T << S+ 0 0 104 -3,-0.9 -2,-0.1 -4,-0.9 -3,-0.1 0.775 96.3 27.7 -49.8 -28.5 -11.6 -6.9 59.0 174 174 A N T 3 S+ 0 0 120 -4,-0.3 -1,-0.3 -3,-0.1 -2,-0.1 -0.014 88.8 143.4-125.8 32.6 -11.2 -8.9 62.2 175 175 A S < - 0 0 29 -3,-2.2 -3,-0.1 1,-0.1 -63,-0.1 -0.178 61.9-110.8 -68.3 164.7 -8.5 -11.5 61.2 176 176 A E S S+ 0 0 148 -65,-0.1 -66,-0.1 2,-0.0 -1,-0.1 0.707 80.6 115.5 -69.1 -23.2 -5.8 -12.7 63.7 177 177 A S - 0 0 3 1,-0.2 -66,-0.2 -66,-0.1 3,-0.1 -0.241 44.8-170.8 -53.4 127.8 -3.0 -11.0 61.8 178 178 A D S S+ 0 0 28 -68,-1.3 25,-2.9 24,-0.1 2,-0.4 0.436 72.2 53.1 -99.5 -0.3 -1.4 -8.2 63.8 179 179 A T E -gh 111 203B 0 -69,-1.0 -67,-3.0 23,-0.3 2,-0.4 -0.998 62.6-168.0-137.7 137.8 0.6 -6.9 60.9 180 180 A V E -gh 112 204B 0 23,-3.2 25,-3.0 -2,-0.4 2,-0.5 -0.991 10.7-149.3-129.0 129.7 -0.5 -5.9 57.4 181 181 A I E -gh 113 205B 0 -69,-3.1 -67,-2.4 -2,-0.4 2,-1.8 -0.859 10.0-144.6-101.1 125.6 1.9 -5.3 54.4 182 182 A L E -gh 114 206B 0 23,-3.1 2,-1.5 -2,-0.5 25,-0.9 -0.639 24.9-177.9 -84.9 81.5 0.9 -2.7 51.8 183 183 A G E +g 115 0B 0 -69,-1.8 -67,-0.5 -2,-1.8 2,-0.3 -0.232 50.8 74.3 -80.6 49.8 2.4 -4.7 49.0 184 184 A C S S- 0 0 0 -2,-1.5 3,-0.5 -69,-0.2 23,-0.3 -0.966 80.1-123.7-158.9 141.9 1.6 -2.3 46.2 185 185 A T S S+ 0 0 1 348,-2.7 4,-0.2 -2,-0.3 -169,-0.2 0.780 109.6 48.9 -57.4 -32.3 3.1 1.1 45.1 186 186 A H S > S+ 0 0 0 1,-0.2 3,-1.7 2,-0.1 4,-0.3 0.771 88.6 80.9 -82.1 -27.5 -0.3 2.9 45.4 187 187 A Y G > S+ 0 0 0 -3,-0.5 3,-2.0 1,-0.3 4,-0.2 0.700 73.9 74.4 -56.8 -24.3 -1.4 1.7 48.8 188 188 A P G > S+ 0 0 33 0, 0.0 3,-1.9 0, 0.0 4,-0.3 0.884 89.4 61.3 -58.9 -31.3 0.6 4.2 50.8 189 189 A L G < S+ 0 0 40 -3,-1.7 -2,-0.2 1,-0.3 3,-0.1 0.687 107.3 46.4 -65.0 -16.0 -2.0 6.8 49.7 190 190 A L G <> S+ 0 0 0 -3,-2.0 4,-2.5 -4,-0.3 5,-0.3 0.266 77.9 117.0-107.1 8.7 -4.5 4.7 51.6 191 191 A Y H <> S+ 0 0 97 -3,-1.9 4,-2.6 -4,-0.2 5,-0.2 0.899 78.3 41.3 -40.6 -63.9 -2.4 4.2 54.7 192 192 A K H > S+ 0 0 135 -4,-0.3 4,-3.0 1,-0.2 5,-0.3 0.911 114.3 50.5 -55.8 -50.8 -4.7 6.0 57.1 193 193 A P H > S+ 0 0 30 0, 0.0 4,-1.8 0, 0.0 -1,-0.2 0.890 115.0 44.3 -57.3 -40.6 -8.0 4.5 55.7 194 194 A I H X S+ 0 0 0 -4,-2.5 4,-1.4 2,-0.2 -2,-0.2 0.891 112.9 51.4 -71.6 -38.9 -6.6 1.0 55.9 195 195 A Y H <>S+ 0 0 87 -4,-2.6 5,-2.0 -5,-0.3 3,-0.4 0.950 114.3 42.7 -61.8 -50.6 -5.2 1.5 59.4 196 196 A D H ><5S+ 0 0 73 -4,-3.0 3,-2.2 1,-0.2 -1,-0.2 0.840 104.8 65.7 -65.6 -33.8 -8.5 2.8 60.7 197 197 A Y H 3<5S+ 0 0 13 -4,-1.8 -1,-0.2 -5,-0.3 -2,-0.2 0.899 102.4 47.4 -56.3 -41.5 -10.4 0.1 58.9 198 198 A F T ><5S- 0 0 3 -4,-1.4 3,-1.4 -3,-0.4 -1,-0.3 0.268 120.7-109.5 -84.5 13.9 -8.7 -2.5 61.1 199 199 A G T < 5 - 0 0 58 -3,-2.2 -3,-0.2 1,-0.3 -2,-0.1 0.667 59.4 -76.2 68.9 16.4 -9.5 -0.5 64.2 200 200 A G T 3 -h 182 0B 16 -2,-0.5 4,-1.8 -25,-0.2 5,-0.2 -0.779 8.0-147.5 -94.7 135.2 4.4 0.7 53.7 207 207 A S H > S+ 0 0 1 -25,-0.9 4,-2.6 -2,-0.4 5,-0.2 0.913 97.1 51.8 -65.8 -44.7 6.7 -0.7 50.9 208 208 A G H > S+ 0 0 3 1,-0.2 4,-1.9 -24,-0.2 5,-0.2 0.922 109.8 48.4 -59.0 -47.2 8.1 2.7 49.9 209 209 A L H > S+ 0 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54.3 -65.5 -39.2 27.2 0.8 71.2 340 74 B T H 4 S+ 0 0 4 1,-0.2 4,-0.4 2,-0.2 -1,-0.2 0.933 113.8 40.5 -61.0 -46.7 30.2 2.0 73.2 341 75 B A H >> S+ 0 0 2 1,-0.2 4,-2.3 2,-0.2 3,-1.2 0.881 111.8 56.6 -70.6 -37.8 32.5 -0.4 71.4 342 76 B T H 3X S+ 0 0 8 -4,-2.5 4,-1.6 1,-0.2 5,-0.4 0.918 99.1 62.4 -58.5 -42.0 30.9 0.2 68.0 343 77 B A H 3< S+ 0 0 21 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.685 120.0 21.3 -59.0 -20.8 31.6 3.9 68.4 344 78 B V H <4 S+ 0 0 42 -3,-1.2 -1,-0.2 -4,-0.4 -2,-0.2 0.561 130.6 35.4-125.1 -11.8 35.3 3.4 68.4 345 79 B A H X S+ 0 0 0 -4,-2.3 4,-2.6 -5,-0.1 5,-0.2 0.583 87.0 85.5-121.4 -11.6 36.1 0.0 66.8 346 80 B L H X S+ 0 0 7 -4,-1.6 4,-2.8 -5,-0.4 5,-0.3 0.963 92.5 47.5 -57.4 -56.7 33.6 -0.7 64.0 347 81 B E H > S+ 0 0 122 -5,-0.4 4,-1.3 1,-0.2 -1,-0.2 0.910 114.9 47.6 -51.0 -47.1 35.5 1.1 61.2 348 82 B Y H > S+ 0 0 87 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.916 113.0 46.9 -62.4 -46.6 38.8 -0.5 62.2 349 83 B L H X S+ 0 0 0 -4,-2.6 4,-1.7 1,-0.2 -1,-0.2 0.847 106.8 58.2 -68.2 -35.4 37.3 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27.0-116.4-109.1 178.8 27.6 -2.3 64.6 360 94 B V S > S+ 0 0 0 -24,-0.6 4,-0.6 -22,-0.2 -21,-0.1 0.448 100.1 68.9 -96.2 -1.6 24.4 -1.2 66.4 361 95 B I H > S+ 0 0 2 2,-0.1 4,-2.7 -23,-0.1 3,-0.4 0.945 95.5 47.6 -82.1 -52.8 24.8 2.6 65.8 362 96 B E H > S+ 0 0 26 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.875 108.3 54.9 -59.7 -39.4 24.2 2.9 62.0 363 97 B P H > S+ 0 0 0 0, 0.0 4,-1.6 0, 0.0 -1,-0.2 0.888 113.2 43.8 -62.8 -34.1 21.0 0.7 62.1 364 98 B G H X S+ 0 0 0 -4,-0.6 4,-2.3 -3,-0.4 -2,-0.2 0.923 112.9 50.1 -73.4 -45.0 19.6 3.1 64.7 365 99 B A H X S+ 0 0 3 -4,-2.7 4,-1.9 1,-0.2 -1,-0.2 0.902 111.7 50.2 -57.6 -42.4 20.8 6.2 63.0 366 100 B R H X S+ 0 0 2 -4,-2.8 4,-1.6 1,-0.2 -1,-0.2 0.877 110.1 48.5 -65.2 -40.6 19.2 5.0 59.8 367 101 B T H X S+ 0 0 3 -4,-1.6 4,-2.2 -5,-0.2 -1,-0.2 0.860 108.8 54.5 -69.5 -33.4 15.9 4.2 61.4 368 102 B A H X S+ 0 0 0 -4,-2.3 4,-2.8 2,-0.2 -2,-0.2 0.900 106.1 51.9 -65.4 -40.8 15.9 7.6 63.0 369 103 B I H < S+ 0 0 6 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.894 112.1 47.9 -62.2 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3.4-164.8-112.7 126.0 20.5 10.3 71.1 380 114 B L E +no 407 448D 0 67,-2.9 69,-2.3 -2,-0.5 2,-0.3 -0.910 30.4 120.9-109.4 133.3 20.8 8.6 74.6 381 115 B G E -no 408 449D 0 26,-1.6 28,-2.3 -2,-0.4 69,-0.2 -0.962 57.0 -58.8-168.7-175.4 24.0 6.6 75.5 382 116 B T > - 0 0 6 67,-0.5 4,-2.4 -2,-0.3 5,-0.3 -0.238 57.8 -98.9 -73.5 169.6 27.0 6.1 77.7 383 117 B E H > S+ 0 0 79 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.935 124.7 49.8 -53.6 -49.9 29.6 8.7 78.2 384 118 B G H > S+ 0 0 13 -76,-1.8 4,-1.6 1,-0.2 -1,-0.2 0.900 110.6 47.5 -57.6 -47.3 31.8 7.0 75.6 385 119 B T H >>S+ 0 0 1 2,-0.2 4,-0.8 1,-0.2 5,-0.7 0.937 116.0 43.4 -61.5 -49.6 29.2 6.7 72.9 386 120 B I H ><5S+ 0 0 35 -4,-2.4 3,-1.1 1,-0.2 -2,-0.2 0.930 111.7 54.1 -63.1 -45.6 28.0 10.3 73.3 387 121 B K H 3<5S+ 0 0 139 -4,-2.7 -1,-0.2 -5,-0.3 -2,-0.2 0.831 102.8 58.3 -57.7 -35.0 31.6 11.7 73.4 388 122 B S H 3<5S- 0 0 39 -4,-1.6 -1,-0.3 -5,-0.2 -2,-0.2 0.774 90.7-149.7 -67.3 -27.4 32.4 9.9 70.2 389 123 B E T < + 0 0 11 -5,-0.7 4,-2.7 1,-0.2 5,-0.3 0.891 66.1 51.2 -59.0 -43.3 29.4 8.7 66.1 391 125 B Y H > S+ 0 0 7 -6,-0.3 4,-2.9 1,-0.2 5,-0.3 0.946 110.7 48.4 -60.2 -47.9 25.6 9.0 65.8 392 126 B R H > S+ 0 0 121 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.917 112.8 48.8 -58.0 -45.0 25.9 12.6 64.7 393 127 B T H X S+ 0 0 55 -4,-2.5 4,-1.8 1,-0.2 -2,-0.2 0.932 114.9 43.1 -62.2 -48.3 28.7 11.7 62.2 394 128 B H H X S+ 0 0 43 -4,-2.7 4,-0.9 2,-0.2 -2,-0.2 0.897 116.0 47.7 -67.4 -39.5 26.7 8.9 60.6 395 129 B I H >X S+ 0 0 0 -4,-2.9 4,-3.2 -5,-0.3 3,-0.8 0.938 112.4 49.0 -66.7 -45.5 23.4 10.7 60.5 396 130 B K H 3< S+ 0 0 70 -4,-2.6 -1,-0.2 -5,-0.3 -2,-0.2 0.844 104.4 60.2 -62.7 -35.3 25.0 13.8 59.0 397 131 B R H 3< S+ 0 0 151 -4,-1.8 -1,-0.2 -5,-0.2 -2,-0.2 0.774 118.3 29.2 -63.7 -27.8 26.8 11.8 56.4 398 132 B I H << S+ 0 0 18 -4,-0.9 -371,-0.6 -3,-0.8 -2,-0.2 0.841 139.2 15.9 -99.1 -48.4 23.4 10.5 55.0 399 133 B N >< - 0 0 10 -4,-3.2 3,-1.9 -5,-0.2 -1,-0.2 -0.766 61.2-179.3-132.4 88.8 21.0 13.4 55.9 400 134 B P T 3 S+ 0 0 37 0, 0.0 -4,-0.1 0, 0.0 -1,-0.1 0.617 78.5 70.1 -60.3 -14.8 22.9 16.6 56.7 401 135 B H T 3 S+ 0 0 106 -3,-0.1 2,-0.4 2,-0.1 -5,-0.1 0.594 77.4 98.4 -81.5 -12.4 19.6 18.3 57.3 402 136 B V < - 0 0 0 -3,-1.9 2,-0.5 -7,-0.2 -26,-0.2 -0.641 67.9-141.1 -83.8 130.3 18.9 16.4 60.5 403 137 B E E -n 376 0D 87 -28,-3.4 -26,-3.2 -2,-0.4 2,-0.4 -0.764 22.0-165.6 -89.5 128.7 19.7 18.1 63.8 404 138 B V E -n 377 0D 9 -2,-0.5 2,-0.4 -28,-0.2 -26,-0.2 -0.944 13.5-178.0-122.3 139.8 21.2 15.7 66.3 405 139 B H E -n 378 0D 62 -28,-2.2 -26,-3.4 -2,-0.4 2,-0.4 -0.999 10.6-158.0-133.8 129.9 21.7 16.0 70.1 406 140 B G E -n 379 0D 41 -2,-0.4 2,-0.4 -28,-0.2 -26,-0.2 -0.908 5.8-170.4-112.6 138.2 23.4 13.4 72.3 407 141 B V E -n 380 0D 17 -28,-3.2 -26,-1.6 -2,-0.4 2,-0.2 -0.984 18.9-134.5-130.2 123.5 22.9 13.1 76.0 408 142 B A E -n 381 0D 37 -2,-0.4 -26,-0.2 -28,-0.2 3,-0.1 -0.520 15.5-170.9 -74.2 139.5 25.0 10.8 78.3 409 143 B C >> + 0 0 1 -28,-2.3 3,-2.1 -2,-0.2 4,-0.6 -0.548 11.8 170.0-131.0 65.7 22.9 8.8 80.8 410 144 B P T 34 S+ 0 0 89 0, 0.0 3,-0.3 0, 0.0 -1,-0.1 0.773 74.9 56.5 -47.2 -35.2 25.5 7.2 83.1 411 145 B G T 3> S+ 0 0 29 1,-0.2 4,-2.0 2,-0.1 5,-0.1 0.645 88.0 75.3 -78.4 -14.4 22.9 6.0 85.5 412 146 B F H <> S+ 0 0 0 -3,-2.1 4,-2.3 2,-0.2 5,-0.2 0.919 92.5 51.3 -65.8 -43.3 20.8 4.0 83.1 413 147 B V H X S+ 0 0 14 -4,-0.6 4,-2.6 -3,-0.3 -1,-0.2 0.952 113.3 44.4 -59.9 -50.3 23.2 1.0 82.8 414 148 B P H > S+ 0 0 73 0, 0.0 4,-2.2 0, 0.0 -1,-0.2 0.908 110.7 57.1 -60.4 -39.5 23.5 0.6 86.6 415 149 B L H X S+ 0 0 9 -4,-2.0 4,-0.6 1,-0.2 -2,-0.2 0.927 111.4 40.7 -55.8 -48.9 19.7 1.0 86.9 416 150 B V H >< S+ 0 0 8 -4,-2.3 3,-0.8 1,-0.2 -1,-0.2 0.896 112.6 57.4 -67.1 -40.0 19.0 -1.9 84.5 417 151 B E H 3< S+ 0 0 80 -4,-2.6 -2,-0.2 -5,-0.2 -1,-0.2 0.832 112.6 38.0 -59.8 -37.2 21.8 -3.9 86.1 418 152 B Q H 3< S+ 0 0 124 -4,-2.2 2,-0.4 -5,-0.1 -1,-0.2 0.396 91.5 104.4-100.6 4.2 20.3 -3.8 89.6 419 153 B M << - 0 0 35 -3,-0.8 3,-0.1 -4,-0.6 -4,-0.0 -0.703 48.7-164.9 -91.8 137.4 16.6 -4.1 88.9 420 154 B R S S- 0 0 223 -2,-0.4 2,-0.3 1,-0.3 -1,-0.2 0.747 85.5 -16.6 -81.6 -28.8 14.7 -7.3 89.5 421 155 B Y S S- 0 0 158 -3,-0.1 2,-0.7 2,-0.0 -1,-0.3 -0.928 91.6 -72.2-162.0 173.3 12.0 -5.8 87.4 422 156 B S - 0 0 56 -2,-0.3 3,-0.1 -3,-0.1 -6,-0.0 -0.705 44.9-165.1 -84.3 112.1 11.0 -2.4 86.1 423 157 B D > - 0 0 46 -2,-0.7 4,-2.7 1,-0.1 5,-0.3 -0.874 15.4-147.1-100.9 124.4 9.6 -0.2 88.9 424 158 B P H > S+ 0 0 96 0, 0.0 4,-1.8 0, 0.0 5,-0.2 0.858 95.4 50.4 -52.9 -43.9 7.7 2.9 87.8 425 159 B T H > S+ 0 0 84 1,-0.2 4,-1.7 2,-0.2 5,-0.1 0.962 115.8 38.8 -62.6 -52.0 8.8 4.9 90.8 426 160 B I H > S+ 0 0 80 2,-0.2 4,-1.9 1,-0.2 5,-0.3 0.870 113.8 50.6 -75.9 -46.5 12.3 4.2 90.6 427 161 B T H X S+ 0 0 4 -4,-2.7 4,-2.9 1,-0.2 5,-0.2 0.943 110.8 52.5 -59.4 -39.7 12.8 4.4 86.8 428 162 B S H X S+ 0 0 56 -4,-1.8 4,-3.1 -5,-0.3 5,-0.2 0.899 109.3 48.9 -65.8 -38.6 11.0 7.8 86.7 429 163 B I H X S+ 0 0 103 -4,-1.7 4,-2.5 2,-0.2 5,-0.2 0.965 115.8 41.5 -63.9 -54.0 13.3 9.2 89.4 430 164 B V H X S+ 0 0 41 -4,-1.9 4,-1.2 1,-0.2 -2,-0.2 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