==== 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 14-SEP-07 2RAG . COMPND 2 MOLECULE: DIPEPTIDASE; . SOURCE 2 ORGANISM_SCIENTIFIC: CAULOBACTER CRESCENTUS; . AUTHOR A.A.FEDOROV,E.V.FEDOROV,R.TORO,J.M.SAUDER,S.K.BURLEY,S.C.ALM . 1476 8 4 0 4 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 55974.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1013 68.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 166 11.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 24 1.6 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 . 8 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 4 0.3 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 . 70 4.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 146 9.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 531 36.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 40 2.7 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 8 0 1 7 8 12 4 0 0 4 0 4 4 4 0 0 0 0 0 0 4 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 9 7 17 3 0 0 4 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 . 12 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 . 3 0 4 0 4 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 37 A S > 0 0 88 0, 0.0 4,-2.5 0, 0.0 3,-0.3 0.000 360.0 360.0 360.0 116.9 16.7 -15.8 58.7 2 38 A K H > + 0 0 183 1,-0.2 4,-1.7 2,-0.2 5,-0.1 0.790 360.0 57.4 -60.9 -27.1 20.1 -17.3 58.2 3 39 A A H > S+ 0 0 71 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.906 107.9 46.1 -69.1 -41.7 18.5 -20.1 56.2 4 40 A D H > S+ 0 0 55 -3,-0.3 4,-3.0 1,-0.2 5,-0.2 0.933 111.3 51.6 -65.2 -46.1 17.0 -17.5 53.8 5 41 A K H X S+ 0 0 95 -4,-2.5 4,-2.9 1,-0.2 -1,-0.2 0.851 106.4 55.6 -59.4 -36.2 20.3 -15.7 53.5 6 42 A A H < S+ 0 0 65 -4,-1.7 4,-0.5 2,-0.2 -1,-0.2 0.936 113.0 40.1 -62.8 -48.1 22.1 -18.9 52.7 7 43 A L H >< S+ 0 0 41 -4,-1.7 3,-2.0 1,-0.2 4,-0.3 0.979 117.5 48.7 -63.0 -55.8 19.7 -19.6 49.8 8 44 A H H >< S+ 0 0 2 -4,-3.0 3,-2.0 1,-0.3 -2,-0.2 0.870 102.8 62.8 -50.5 -44.5 19.6 -16.0 48.7 9 45 A D T 3< S+ 0 0 120 -4,-2.9 -1,-0.3 1,-0.3 -2,-0.2 0.678 90.5 69.2 -58.9 -18.5 23.4 -15.8 48.8 10 46 A K T < S+ 0 0 112 -3,-2.0 2,-0.3 -4,-0.5 -1,-0.3 0.674 91.1 74.1 -76.0 -16.6 23.7 -18.4 46.1 11 47 A F S < S- 0 0 9 -3,-2.0 2,-0.7 -4,-0.3 44,-0.1 -0.723 82.0-122.4-104.0 149.4 22.3 -16.1 43.4 12 48 A L - 0 0 27 -2,-0.3 2,-0.3 42,-0.1 342,-0.2 -0.787 42.3-161.1 -84.7 115.2 23.8 -13.1 41.6 13 49 A T + 0 0 0 -2,-0.7 43,-0.7 40,-0.2 42,-0.4 -0.790 20.7 163.3-109.3 146.8 21.5 -10.3 42.4 14 50 A L E -a 56 0A 1 338,-1.7 2,-0.4 -2,-0.3 298,-0.4 -0.987 23.5-147.2-155.0 147.8 20.8 -6.9 40.9 15 51 A D E -a 57 0A 0 41,-1.1 43,-2.4 -2,-0.3 3,-0.4 -0.964 12.8-145.7-117.2 135.6 18.1 -4.2 41.0 16 52 A T E S+ 0 0 0 296,-2.3 297,-0.2 -2,-0.4 41,-0.1 0.324 86.5 42.2 -86.3 8.7 17.5 -2.2 37.9 17 53 A H E + 0 0 1 295,-0.2 2,-0.9 43,-0.1 298,-0.2 -0.287 58.2 164.6-154.6 66.0 16.6 1.1 39.5 18 54 A L E -a 59 0A 0 40,-2.5 42,-2.7 -3,-0.4 299,-0.1 -0.745 12.3-174.1 -86.3 106.4 18.7 2.2 42.5 19 55 A D > + 0 0 12 297,-2.1 3,-2.3 -2,-0.9 4,-0.2 0.364 51.1 116.2 -80.5 5.8 18.0 5.9 43.0 20 56 A T T >> + 0 0 0 1,-0.3 3,-3.1 296,-0.2 4,-0.6 0.744 53.3 77.7 -46.4 -34.2 20.7 6.0 45.6 21 57 A P H >> S+ 0 0 0 0, 0.0 3,-0.8 0, 0.0 4,-0.6 0.749 78.1 74.8 -53.2 -21.3 22.9 8.5 43.6 22 58 A A H <4 S+ 0 0 36 -3,-2.3 3,-0.2 1,-0.2 -2,-0.2 0.738 97.2 48.1 -62.6 -20.6 20.5 11.2 44.8 23 59 A H H X4 S+ 0 0 18 -3,-3.1 3,-1.9 -4,-0.2 -1,-0.2 0.619 87.9 85.6 -92.7 -18.0 22.2 10.9 48.2 24 60 A F H << S+ 0 0 29 -3,-0.8 -2,-0.1 -4,-0.6 -1,-0.1 0.821 88.9 50.0 -55.2 -35.7 25.8 11.0 46.9 25 61 A G T 3< S+ 0 0 28 -4,-0.6 -1,-0.3 -3,-0.2 -2,-0.1 0.448 82.5 116.4 -84.6 -0.2 25.9 14.8 46.9 26 62 A R S X S- 0 0 21 -3,-1.9 3,-2.1 1,-0.1 237,-0.2 -0.532 83.2 -93.7 -71.4 131.0 24.6 15.1 50.5 27 63 A P T 3 S- 0 0 77 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.187 103.6 -8.4 -47.6 118.4 27.3 16.6 52.8 28 64 A G T 3 S+ 0 0 78 1,-0.2 2,-0.1 -4,-0.1 -2,-0.1 0.348 92.2 147.4 75.1 -7.8 29.3 13.9 54.5 29 65 A W < - 0 0 28 -3,-2.1 2,-0.4 -6,-0.2 -1,-0.2 -0.412 25.0-173.0 -64.0 133.8 27.1 11.1 53.2 30 66 A D > - 0 0 65 -2,-0.1 3,-1.6 -3,-0.1 -6,-0.0 -0.983 27.6-150.1-135.4 123.2 29.2 8.0 52.5 31 67 A I T 3 S+ 0 0 5 -2,-0.4 15,-3.0 1,-0.3 4,-0.1 0.687 98.1 66.5 -62.9 -17.9 27.9 4.8 50.9 32 68 A A T 3 S+ 0 0 38 13,-0.2 -1,-0.3 14,-0.2 2,-0.1 0.764 88.8 83.9 -74.8 -24.6 30.4 2.8 53.0 33 69 A D S < S- 0 0 83 -3,-1.6 2,-0.5 13,-0.1 13,-0.2 -0.370 84.4-116.3 -78.0 157.9 28.6 3.8 56.2 34 70 A H - 0 0 89 13,-0.1 2,-0.3 12,-0.1 -2,-0.1 -0.808 37.7-173.1 -94.5 132.1 25.6 1.9 57.6 35 71 A H - 0 0 24 -2,-0.5 2,-0.5 -4,-0.1 3,-0.1 -0.828 22.0-131.5-124.4 164.4 22.4 4.0 57.7 36 72 A E >>> - 0 0 94 -2,-0.3 4,-3.7 1,-0.1 3,-1.4 -0.974 12.7-142.2-117.0 124.6 18.9 3.6 59.0 37 73 A V H 3>5S+ 0 0 38 -2,-0.5 4,-1.4 1,-0.3 -1,-0.1 0.857 104.2 57.7 -52.3 -35.7 16.0 4.4 56.7 38 74 A E H 345S+ 0 0 111 1,-0.2 -1,-0.3 2,-0.2 240,-0.2 0.788 120.5 25.3 -65.9 -30.1 14.2 5.8 59.7 39 75 A H H <45S+ 0 0 97 -3,-1.4 -2,-0.2 3,-0.1 235,-0.2 0.746 135.8 27.9-105.7 -31.4 17.0 8.3 60.5 40 76 A D H <5S- 0 0 26 -4,-3.7 -3,-0.2 2,-0.2 -2,-0.2 0.568 87.6-134.0-108.7 -13.9 18.7 8.8 57.1 41 77 A F << + 0 0 78 -4,-1.4 2,-0.2 -5,-0.7 -4,-0.2 0.365 66.9 125.9 73.8 -6.4 15.8 8.2 54.7 42 78 A S - 0 0 0 -6,-0.3 -1,-0.3 1,-0.1 -2,-0.2 -0.551 42.3-174.1 -85.4 150.1 18.3 6.1 52.7 43 79 A Q + 0 0 13 -2,-0.2 285,-1.5 1,-0.2 2,-0.4 0.344 66.5 58.7-121.6 1.0 17.5 2.5 51.8 44 80 A V + 0 0 0 283,-0.1 2,-0.3 284,-0.1 -1,-0.2 -0.996 50.8 128.8-141.5 134.5 20.8 1.5 50.2 45 81 A D > - 0 0 0 -2,-0.4 4,-2.0 1,-0.1 5,-0.2 -0.941 63.6 -90.7-166.0 167.9 24.5 1.4 51.3 46 82 A L H > S+ 0 0 21 -15,-3.0 4,-2.2 -2,-0.3 5,-0.2 0.936 121.1 50.0 -56.1 -52.2 27.4 -1.1 51.3 47 83 A P H > S+ 0 0 39 0, 0.0 4,-2.5 0, 0.0 -1,-0.2 0.930 115.4 43.8 -54.3 -45.8 26.7 -2.6 54.7 48 84 A R H > S+ 0 0 1 2,-0.2 4,-2.7 1,-0.2 -2,-0.2 0.781 108.1 58.3 -71.4 -25.8 23.0 -3.2 53.9 49 85 A M H <>S+ 0 0 0 -4,-2.0 5,-2.8 2,-0.2 4,-0.4 0.883 111.3 43.8 -68.1 -36.7 23.9 -4.5 50.4 50 86 A N H ><5S+ 0 0 97 -4,-2.2 3,-0.6 3,-0.2 -2,-0.2 0.929 115.5 46.9 -71.2 -45.3 26.0 -7.1 52.2 51 87 A Q H 3<5S+ 0 0 90 -4,-2.5 -2,-0.2 1,-0.2 -3,-0.2 0.868 118.5 41.7 -64.5 -38.1 23.3 -7.8 54.7 52 88 A G T 3<5S- 0 0 0 -4,-2.7 -1,-0.2 -5,-0.2 -2,-0.2 0.468 109.9-122.3 -89.3 -2.1 20.6 -8.0 52.1 53 89 A G T < 5 + 0 0 12 -3,-0.6 2,-0.7 -4,-0.4 -3,-0.2 0.873 52.9 159.3 64.7 37.0 22.8 -9.9 49.7 54 90 A L < - 0 0 0 -5,-2.8 -1,-0.2 -6,-0.2 -40,-0.1 -0.847 21.3-172.1 -95.2 116.7 22.5 -7.4 46.8 55 91 A D - 0 0 37 -2,-0.7 62,-1.7 -42,-0.4 2,-0.3 0.727 56.6 -52.5 -82.6 -22.4 25.4 -7.9 44.5 56 92 A G E -ab 14 117A 0 -43,-0.7 -41,-1.1 60,-0.2 2,-0.3 -0.979 52.8-176.0 173.9-166.7 24.9 -4.8 42.3 57 93 A G E -ab 15 118A 0 60,-1.5 62,-2.6 -2,-0.3 2,-0.7 -0.980 42.7 -60.8 169.2-176.6 22.4 -2.8 40.2 58 94 A F E - b 0 119A 2 -43,-2.4 -40,-2.5 -2,-0.3 2,-0.6 -0.865 44.4-146.9 -97.8 114.8 21.8 0.1 37.9 59 95 A F E -ab 18 120A 2 60,-2.8 62,-2.0 -2,-0.7 2,-0.2 -0.756 24.7-126.9 -86.0 119.0 22.6 3.4 39.7 60 96 A V E - b 0 121A 2 -42,-2.7 2,-0.8 -2,-0.6 62,-0.2 -0.435 18.6-159.2 -78.2 136.7 20.2 6.0 38.4 61 97 A V E + b 0 122A 3 60,-2.0 62,-2.7 -2,-0.2 2,-0.4 -0.939 36.1 177.5-106.8 102.1 20.9 9.4 37.0 62 98 A Y E + b 0 123A 73 -2,-0.8 2,-0.3 60,-0.2 62,-0.2 -0.890 19.3 175.7-117.8 145.2 17.5 11.0 37.5 63 99 A I - 0 0 8 60,-1.3 63,-0.2 -2,-0.4 3,-0.1 -0.986 29.8-120.5-146.7 133.8 16.1 14.5 36.9 64 100 A G - 0 0 28 -2,-0.3 2,-0.3 1,-0.1 59,-0.0 -0.362 46.4 -88.9 -68.1 152.9 12.5 15.8 37.4 65 101 A Q + 0 0 12 1,-0.1 -1,-0.1 -2,-0.0 2,-0.1 -0.478 56.2 166.7 -70.9 124.9 10.8 17.2 34.3 66 102 A G - 0 0 29 -2,-0.3 2,-0.1 1,-0.2 -1,-0.1 -0.250 41.2 -32.2-114.9-154.5 11.4 20.9 33.7 67 103 A E - 0 0 138 -2,-0.1 2,-1.4 1,-0.1 -1,-0.2 -0.318 42.6-134.0 -70.8 143.8 10.9 23.4 30.8 68 104 A L S S+ 0 0 74 4,-0.1 2,-0.3 -3,-0.1 -1,-0.1 -0.566 72.1 105.9 -94.3 69.1 11.2 22.5 27.2 69 105 A T S > S- 0 0 58 -2,-1.4 4,-3.1 1,-0.1 5,-0.2 -0.900 88.3 -99.9-140.2 166.7 13.3 25.5 26.4 70 106 A E H > S+ 0 0 156 -2,-0.3 4,-2.5 1,-0.2 5,-0.2 0.911 125.9 49.4 -56.9 -42.6 17.0 26.2 25.6 71 107 A K H > S+ 0 0 174 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.884 111.8 48.8 -64.4 -38.6 17.5 27.3 29.2 72 108 A G H > S+ 0 0 8 2,-0.2 4,-2.8 1,-0.2 -2,-0.2 0.942 112.3 48.3 -66.1 -45.3 15.7 24.1 30.4 73 109 A Y H X S+ 0 0 28 -4,-3.1 4,-2.6 2,-0.2 -2,-0.2 0.884 111.7 47.3 -63.4 -42.7 17.8 21.9 28.2 74 110 A T H X S+ 0 0 33 -4,-2.5 4,-2.3 -5,-0.2 5,-0.2 0.914 114.4 48.6 -66.6 -40.3 21.2 23.4 29.2 75 111 A Y H X S+ 0 0 113 -4,-1.9 4,-2.6 -5,-0.2 -2,-0.2 0.939 113.1 47.2 -61.2 -47.8 20.2 23.2 32.8 76 112 A A H X S+ 0 0 0 -4,-2.8 4,-2.5 2,-0.2 5,-0.2 0.900 110.7 51.8 -62.3 -43.0 19.1 19.6 32.4 77 113 A R H X S+ 0 0 11 -4,-2.6 4,-2.4 1,-0.2 -2,-0.2 0.960 113.7 43.4 -57.3 -54.2 22.3 18.6 30.5 78 114 A D H X S+ 0 0 4 -4,-2.3 4,-2.3 1,-0.2 -2,-0.2 0.886 113.4 52.2 -60.5 -41.4 24.6 20.1 33.2 79 115 A Y H X S+ 0 0 78 -4,-2.6 4,-2.1 -5,-0.2 -1,-0.2 0.936 112.5 43.8 -62.2 -48.4 22.5 18.6 36.0 80 116 A A H X S+ 0 0 1 -4,-2.5 4,-2.4 2,-0.2 -1,-0.2 0.869 111.6 54.1 -65.7 -38.9 22.6 15.1 34.6 81 117 A L H X S+ 0 0 6 -4,-2.4 4,-2.3 -5,-0.2 -1,-0.2 0.922 110.5 47.4 -61.1 -42.3 26.3 15.4 33.8 82 118 A H H X S+ 0 0 55 -4,-2.3 4,-2.2 2,-0.2 -2,-0.2 0.887 111.0 49.8 -67.2 -39.5 27.0 16.4 37.4 83 119 A R H X S+ 0 0 14 -4,-2.1 4,-1.7 2,-0.2 -1,-0.2 0.891 110.9 50.6 -66.1 -37.5 24.8 13.5 38.8 84 120 A T H X S+ 0 0 6 -4,-2.4 4,-2.1 1,-0.2 -2,-0.2 0.925 110.0 50.7 -63.9 -43.0 26.7 11.1 36.5 85 121 A I H X S+ 0 0 4 -4,-2.3 4,-2.2 1,-0.2 -2,-0.2 0.882 104.7 56.8 -62.7 -38.0 30.0 12.6 37.9 86 122 A E H X S+ 0 0 16 -4,-2.2 4,-2.1 1,-0.2 -1,-0.2 0.901 107.3 49.3 -61.3 -39.2 28.8 12.0 41.5 87 123 A I H X S+ 0 0 3 -4,-1.7 4,-2.2 1,-0.2 -1,-0.2 0.933 110.9 48.9 -64.8 -45.1 28.3 8.4 40.7 88 124 A R H X S+ 0 0 40 -4,-2.1 4,-1.7 1,-0.2 -1,-0.2 0.815 109.6 53.4 -64.5 -29.5 31.8 8.2 39.2 89 125 A E H X S+ 0 0 40 -4,-2.2 4,-2.0 2,-0.2 -1,-0.2 0.891 106.0 52.2 -72.0 -39.6 33.2 9.9 42.3 90 126 A M H X S+ 0 0 18 -4,-2.1 4,-0.9 1,-0.2 -2,-0.2 0.952 111.7 47.3 -59.5 -47.1 31.6 7.3 44.6 91 127 A L H < S+ 0 0 20 -4,-2.2 3,-0.4 1,-0.2 -1,-0.2 0.856 111.2 50.6 -62.4 -36.6 33.2 4.6 42.5 92 128 A A H < S+ 0 0 20 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.806 110.7 50.2 -72.0 -28.3 36.6 6.4 42.6 93 129 A A H < S+ 0 0 49 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.598 116.6 40.6 -84.2 -12.5 36.3 6.7 46.4 94 130 A N >X + 0 0 22 -4,-0.9 4,-2.2 -3,-0.4 3,-0.9 -0.364 64.4 147.9-133.9 56.5 35.5 3.0 46.9 95 131 A P T 34 S+ 0 0 67 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.726 72.8 53.9 -63.0 -25.5 37.8 1.1 44.5 96 132 A D T 34 S+ 0 0 136 1,-0.1 3,-0.1 -3,-0.1 -2,-0.1 0.670 120.9 27.9 -86.2 -16.0 38.1 -1.9 46.9 97 133 A T T <4 S+ 0 0 44 -3,-0.9 19,-3.1 1,-0.2 2,-0.3 0.591 121.6 39.5-118.3 -17.0 34.3 -2.5 47.3 98 134 A F E < +c 116 0A 3 -4,-2.2 2,-0.3 17,-0.2 19,-0.2 -0.918 51.4 175.6-134.3 159.1 32.8 -1.2 44.1 99 135 A E E -c 117 0A 63 17,-1.6 19,-2.3 -2,-0.3 2,-0.2 -0.937 34.0-110.0-161.7 139.1 33.4 -1.1 40.3 100 136 A M E -c 118 0A 33 -2,-0.3 2,-0.4 17,-0.2 19,-0.2 -0.474 29.9-152.9 -71.7 141.3 31.5 0.2 37.3 101 137 A A + 0 0 0 17,-2.4 19,-0.3 -2,-0.2 3,-0.1 -0.938 23.8 169.8-115.4 138.8 30.2 -2.5 35.0 102 138 A L S S+ 0 0 57 -2,-0.4 2,-0.3 1,-0.2 -1,-0.1 0.607 71.4 29.2-115.2 -29.1 29.6 -1.8 31.3 103 139 A T S > S- 0 0 41 1,-0.1 4,-1.9 16,-0.0 -1,-0.2 -0.805 83.6-108.4-128.0 168.2 28.9 -5.4 30.2 104 140 A S H > S+ 0 0 4 -2,-0.3 4,-2.4 1,-0.2 5,-0.2 0.860 121.0 57.1 -65.3 -34.6 27.4 -8.6 31.8 105 141 A D H > S+ 0 0 102 1,-0.2 4,-2.9 2,-0.2 -1,-0.2 0.890 104.1 52.7 -62.6 -38.2 31.0 -10.0 31.8 106 142 A D H > S+ 0 0 28 2,-0.2 4,-3.3 1,-0.2 5,-0.3 0.938 108.2 51.0 -60.6 -47.0 32.1 -7.0 33.9 107 143 A A H X S+ 0 0 0 -4,-1.9 4,-2.6 2,-0.2 -2,-0.2 0.937 113.7 42.8 -56.4 -51.5 29.3 -7.7 36.4 108 144 A R H X S+ 0 0 81 -4,-2.4 4,-2.5 2,-0.2 -1,-0.2 0.917 115.7 49.0 -63.2 -43.4 30.2 -11.4 36.8 109 145 A R H X S+ 0 0 115 -4,-2.9 4,-1.5 1,-0.2 -2,-0.2 0.934 113.1 46.9 -61.6 -46.9 34.0 -10.6 36.9 110 146 A I H <>S+ 0 0 1 -4,-3.3 5,-2.3 -5,-0.2 -1,-0.2 0.908 111.8 51.7 -61.7 -41.9 33.4 -7.9 39.5 111 147 A A H ><5S+ 0 0 33 -4,-2.6 3,-2.0 -5,-0.3 -2,-0.2 0.929 107.3 51.9 -60.9 -46.7 31.1 -10.2 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158.1 53.0 7.3 44.5 405 70 B H - 0 0 91 13,-0.1 2,-0.3 12,-0.1 -1,-0.1 -0.806 37.8-173.0 -94.6 132.3 56.4 8.8 44.1 406 71 B H - 0 0 23 -2,-0.4 2,-0.5 -4,-0.1 3,-0.1 -0.836 21.9-132.0-124.9 163.6 57.7 9.0 40.6 407 72 B E >>> - 0 0 95 -2,-0.3 4,-3.7 1,-0.1 3,-1.4 -0.973 12.8-142.1-116.8 124.3 61.0 9.9 38.8 408 73 B V H 3>5S+ 0 0 38 -2,-0.5 4,-1.4 1,-0.3 -1,-0.1 0.856 104.2 57.5 -51.9 -35.7 60.8 12.2 35.9 409 74 B E H 345S+ 0 0 111 1,-0.2 -1,-0.3 2,-0.2 240,-0.2 0.788 120.5 25.5 -66.0 -30.4 63.5 10.1 34.2 410 75 B H H <45S+ 0 0 98 -3,-1.4 -2,-0.2 3,-0.1 235,-0.2 0.741 135.6 27.9-105.4 -30.8 61.4 6.9 34.4 411 76 B D H <5S- 0 0 26 -4,-3.7 -3,-0.2 2,-0.2 -2,-0.2 0.557 87.4-134.0-109.6 -13.0 57.8 8.2 34.5 412 77 B F << + 0 0 77 -4,-1.4 2,-0.2 -5,-0.7 -4,-0.2 0.370 67.1 125.5 72.6 -6.0 58.1 11.4 32.6 413 78 B S - 0 0 0 -6,-0.3 -1,-0.3 1,-0.1 -2,-0.2 -0.565 42.5-174.0 -85.5 149.9 56.0 13.0 35.3 414 79 B Q + 0 0 13 -2,-0.2 285,-1.5 1,-0.1 2,-0.4 0.340 66.5 59.1-121.2 1.1 57.1 16.0 37.3 415 80 B V + 0 0 0 283,-0.1 2,-0.3 284,-0.1 -1,-0.1 -0.995 50.8 128.9-141.3 134.7 54.3 16.1 39.8 416 81 B D > - 0 0 0 -2,-0.4 4,-2.0 1,-0.1 5,-0.2 -0.943 63.5 -90.8-166.2 167.4 52.8 13.8 42.5 417 82 B L H > S+ 0 0 20 -15,-3.0 4,-2.2 -2,-0.3 5,-0.2 0.930 121.1 49.9 -55.2 -52.8 51.9 14.0 46.2 418 83 B P H > S+ 0 0 38 0, 0.0 4,-2.5 0, 0.0 -1,-0.2 0.926 115.6 43.7 -54.2 -45.6 55.3 12.9 47.6 419 84 B R H > S+ 0 0 1 2,-0.2 4,-2.6 1,-0.2 -2,-0.2 0.774 108.1 58.2 -72.2 -25.0 57.2 15.4 45.4 420 85 B M H X>S+ 0 0 0 -4,-2.0 5,-2.9 -3,-0.2 4,-0.5 0.898 111.3 43.8 -68.6 -37.7 54.6 18.2 46.2 421 86 B N H <5S+ 0 0 98 -4,-2.2 3,-0.5 3,-0.2 -2,-0.2 0.926 115.5 47.0 -70.0 -45.4 55.6 17.6 49.9 422 87 B Q H <5S+ 0 0 92 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.865 118.6 41.3 -64.4 -38.0 59.3 17.4 49.1 423 88 B G H <5S- 0 0 0 -4,-2.6 -1,-0.2 -5,-0.1 -2,-0.2 0.488 110.1-122.0 -89.5 -4.0 59.1 20.6 47.0 424 89 B G T <5 + 0 0 13 -4,-0.5 2,-0.7 -3,-0.5 -3,-0.2 0.860 52.8 159.4 67.3 35.9 56.8 22.4 49.3 425 90 B L < - 0 0 0 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