==== 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 BIOSYNTHETIC PROTEIN 23-MAR-03 1OTV . COMPND 2 MOLECULE: COENZYME PQQ SYNTHESIS PROTEIN C; . SOURCE 2 ORGANISM_SCIENTIFIC: KLEBSIELLA PNEUMONIAE; . AUTHOR O.T.MAGNUSSON,H.TOYAMA,M.SAEKI,A.ROJAS,J.C.REED,O.ADACHI,J.P . 508 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 23353.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 357 70.3 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 . 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 . 14 2.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 74 14.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 248 48.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 1.6 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 2 2 1 1 2 2 2 2 0 0 2 2 0 0 0 0 0 0 0 0 0 0 2 0 2 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 . 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 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 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 L 0 0 205 0, 0.0 2,-0.5 0, 0.0 203,-0.0 0.000 360.0 360.0 360.0 154.2 24.2 39.1 15.9 2 3 A I + 0 0 22 198,-0.2 3,-0.1 1,-0.2 202,-0.1 -0.767 360.0 177.7 -88.2 129.0 26.2 41.7 14.0 3 4 A T + 0 0 124 -2,-0.5 2,-0.4 1,-0.3 -1,-0.2 0.922 66.0 17.1 -95.2 -62.0 29.5 42.5 15.8 4 5 A D S S- 0 0 131 196,-0.1 -1,-0.3 195,-0.1 195,-0.0 -0.927 104.0 -77.2-117.2 145.4 31.4 45.1 13.6 5 6 A T - 0 0 78 -2,-0.4 2,-0.2 -3,-0.1 195,-0.1 -0.101 47.7-139.2 -49.5 125.7 29.7 47.0 10.9 6 7 A L - 0 0 54 1,-0.1 -1,-0.1 193,-0.1 197,-0.0 -0.544 21.5-107.1 -78.8 150.2 29.1 45.0 7.7 7 8 A S > - 0 0 64 -2,-0.2 4,-2.5 1,-0.1 5,-0.2 -0.232 37.5-101.2 -65.2 163.4 29.7 46.5 4.3 8 9 A P H > S+ 0 0 75 0, 0.0 4,-2.6 0, 0.0 5,-0.1 0.913 123.1 46.9 -53.0 -50.6 26.6 47.3 2.2 9 10 A Q H > S+ 0 0 98 1,-0.2 4,-1.0 2,-0.2 -3,-0.0 0.903 115.6 46.2 -66.4 -34.8 26.9 44.1 0.1 10 11 A A H > S+ 0 0 40 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.847 110.3 53.1 -74.6 -33.2 27.4 41.9 3.2 11 12 A F H X S+ 0 0 1 -4,-2.5 4,-2.3 1,-0.2 -2,-0.2 0.937 104.1 57.6 -66.5 -40.3 24.6 43.6 5.0 12 13 A E H X S+ 0 0 24 -4,-2.6 4,-2.9 1,-0.2 -1,-0.2 0.869 104.6 51.6 -54.4 -33.4 22.4 42.8 1.9 13 14 A E H X S+ 0 0 99 -4,-1.0 4,-2.0 2,-0.2 -1,-0.2 0.898 106.5 52.5 -79.2 -34.0 23.2 39.1 2.4 14 15 A A H X S+ 0 0 27 -4,-1.7 4,-0.7 2,-0.2 -1,-0.2 0.904 111.2 47.4 -65.1 -40.5 22.2 39.2 6.0 15 16 A L H >< S+ 0 0 1 -4,-2.3 3,-1.4 1,-0.2 4,-0.3 0.952 111.0 51.5 -62.8 -49.3 18.9 40.7 5.0 16 17 A R H >< S+ 0 0 91 -4,-2.9 3,-1.7 1,-0.3 -2,-0.2 0.850 99.4 65.7 -56.6 -31.9 18.4 38.1 2.3 17 18 A A H >< S+ 0 0 57 -4,-2.0 3,-1.7 1,-0.3 -1,-0.3 0.792 86.5 70.1 -63.5 -25.6 19.1 35.3 4.8 18 19 A K G X< S+ 0 0 39 -3,-1.4 3,-2.3 -4,-0.7 -1,-0.3 0.688 75.6 84.1 -65.5 -18.4 15.9 36.3 6.6 19 20 A G G X S+ 0 0 14 -3,-1.7 3,-1.5 -4,-0.3 -1,-0.3 0.665 71.1 77.1 -57.4 -13.3 13.9 34.9 3.7 20 21 A D G < S+ 0 0 104 -3,-1.7 -1,-0.3 1,-0.3 -2,-0.2 0.802 95.2 49.9 -64.5 -25.6 14.3 31.5 5.3 21 22 A F G < S+ 0 0 35 -3,-2.3 -1,-0.3 -4,-0.1 -2,-0.2 0.345 83.2 132.7 -92.7 6.9 11.6 32.6 7.6 22 23 A Y S X S- 0 0 18 -3,-1.5 3,-2.0 1,-0.1 4,-0.1 -0.200 70.7-110.3 -63.7 155.6 9.2 33.8 4.8 23 24 A H G > S+ 0 0 17 1,-0.3 3,-1.6 2,-0.2 6,-0.3 0.522 106.8 81.7 -72.5 -5.5 5.6 32.6 5.0 24 25 A I G 3 S+ 0 0 51 1,-0.3 -1,-0.3 5,-0.1 9,-0.1 0.667 87.7 60.7 -70.7 -15.6 5.9 30.2 2.1 25 26 A H G < S+ 0 0 74 -3,-2.0 -1,-0.3 4,-0.1 -2,-0.2 0.435 81.2 108.5 -90.9 5.0 7.4 27.8 4.7 26 27 A H S X> S- 0 0 0 -3,-1.6 4,-2.4 1,-0.1 3,-0.5 -0.602 77.2-125.0 -81.6 136.6 4.2 27.9 6.8 27 28 A P H 3> S+ 0 0 34 0, 0.0 4,-3.0 0, 0.0 5,-0.2 0.823 110.5 56.1 -48.8 -38.2 2.1 24.6 6.8 28 29 A Y H 3> S+ 0 0 10 1,-0.2 4,-1.8 2,-0.2 5,-0.1 0.917 110.2 43.6 -64.7 -44.3 -1.0 26.5 5.8 29 30 A H H <> S+ 0 0 47 -3,-0.5 4,-2.6 -6,-0.3 -1,-0.2 0.899 113.5 52.9 -62.6 -42.7 0.8 27.9 2.6 30 31 A I H X S+ 0 0 66 -4,-2.4 4,-2.6 1,-0.2 6,-0.2 0.940 108.1 49.9 -61.9 -48.8 2.4 24.5 2.0 31 32 A A H X>S+ 0 0 27 -4,-3.0 5,-1.7 1,-0.2 6,-0.9 0.895 111.9 48.2 -56.1 -42.6 -1.0 22.8 2.1 32 33 A M H ><5S+ 0 0 3 -4,-1.8 3,-1.1 4,-0.2 -1,-0.2 0.945 114.0 45.9 -62.7 -45.0 -2.5 25.3 -0.3 33 34 A H H 3<5S+ 0 0 119 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.852 112.7 52.5 -67.8 -30.7 0.5 25.0 -2.8 34 35 A N H 3<5S- 0 0 83 -4,-2.6 -1,-0.2 -5,-0.2 -2,-0.2 0.442 114.1-111.4 -80.9 -10.8 0.3 21.1 -2.5 35 36 A G T <<5S+ 0 0 20 -3,-1.1 -3,-0.2 -4,-0.5 -4,-0.1 0.553 89.2 108.6 84.9 10.8 -3.4 20.8 -3.3 36 37 A D < + 0 0 120 -5,-1.7 2,-0.2 -6,-0.2 -4,-0.2 0.305 46.4 106.3-100.7 6.0 -4.4 19.6 0.2 37 38 A A - 0 0 11 -6,-0.9 2,-0.1 -5,-0.2 192,-0.0 -0.579 67.2-124.1 -82.0 149.9 -6.3 22.7 1.3 38 39 A T > - 0 0 69 -2,-0.2 4,-2.1 190,-0.1 5,-0.2 -0.431 24.5-108.5 -80.2 170.5 -10.1 22.7 1.5 39 40 A R H > S+ 0 0 112 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.871 122.1 53.8 -65.5 -38.6 -12.3 25.2 -0.2 40 41 A K H > S+ 0 0 126 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.895 108.9 49.8 -62.1 -38.7 -13.1 26.9 3.1 41 42 A Q H > S+ 0 0 30 2,-0.2 4,-2.0 1,-0.2 -2,-0.2 0.877 113.9 45.2 -69.4 -36.7 -9.3 27.2 3.8 42 43 A I H X S+ 0 0 0 -4,-2.1 4,-2.5 2,-0.2 -2,-0.2 0.903 114.3 47.0 -74.0 -45.3 -8.8 28.8 0.4 43 44 A Q H X S+ 0 0 41 -4,-2.8 4,-2.2 2,-0.2 -2,-0.2 0.905 113.9 48.9 -61.4 -41.9 -11.8 31.1 0.6 44 45 A G H X S+ 0 0 6 -4,-2.5 4,-2.3 -5,-0.2 5,-0.3 0.873 109.9 52.2 -66.8 -39.5 -10.7 32.1 4.2 45 46 A W H X S+ 0 0 16 -4,-2.0 4,-3.0 2,-0.2 5,-0.3 0.948 110.8 46.6 -61.0 -50.3 -7.1 32.7 2.9 46 47 A V H X S+ 0 0 0 -4,-2.5 4,-1.8 1,-0.2 -2,-0.2 0.936 114.1 47.7 -61.2 -43.0 -8.3 35.0 0.1 47 48 A A H X S+ 0 0 5 -4,-2.2 4,-0.6 2,-0.2 -1,-0.2 0.886 118.1 40.3 -64.7 -41.9 -10.7 37.0 2.4 48 49 A N H >X S+ 0 0 0 -4,-2.3 4,-1.3 2,-0.2 3,-0.8 0.896 113.7 51.6 -76.6 -42.1 -8.0 37.5 5.1 49 50 A R H 3X S+ 0 0 43 -4,-3.0 4,-2.4 -5,-0.3 -2,-0.2 0.852 102.6 62.2 -61.0 -32.3 -5.2 38.2 2.8 50 51 A F H 3X S+ 0 0 1 -4,-1.8 4,-2.5 -5,-0.3 -1,-0.2 0.840 97.3 58.0 -62.0 -32.0 -7.4 40.8 1.1 51 52 A Y H X S+ 0 0 20 -4,-1.3 4,-1.4 1,-0.2 3,-1.0 0.929 111.6 51.3 -62.1 -49.0 -3.7 42.9 4.3 53 54 A Q H 3< S+ 0 0 13 -4,-2.4 3,-0.4 1,-0.3 -2,-0.2 0.918 108.8 49.1 -60.9 -41.1 -3.8 44.0 0.7 54 55 A T H 3< S+ 0 0 24 -4,-2.5 4,-0.3 1,-0.2 -1,-0.3 0.589 110.7 53.5 -71.7 -10.3 -6.3 46.9 1.4 55 56 A T H S+ 0 0 10 0, 0.0 4,-2.0 0, 0.0 -1,-0.2 0.869 109.6 49.3 -62.0 -36.0 -1.9 51.6 0.7 58 59 A L H > S+ 0 0 68 -3,-0.4 4,-2.0 -4,-0.3 -2,-0.2 0.936 113.0 47.4 -66.9 -42.4 -2.7 53.0 4.1 59 60 A K H X S+ 0 0 6 -4,-2.5 4,-2.0 2,-0.2 -1,-0.2 0.875 112.1 49.8 -67.9 -38.6 0.7 51.9 5.4 60 61 A D H X S+ 0 0 1 -4,-2.6 4,-2.0 -5,-0.2 -1,-0.2 0.891 110.5 49.9 -68.9 -34.4 2.5 53.3 2.3 61 62 A A H X S+ 0 0 45 -4,-2.0 4,-2.4 2,-0.2 -2,-0.2 0.878 106.9 55.6 -69.5 -35.5 0.7 56.6 2.8 62 63 A A H X S+ 0 0 12 -4,-2.0 4,-0.7 2,-0.2 -2,-0.2 0.896 107.1 50.1 -63.9 -40.4 1.7 56.6 6.4 63 64 A I H >< S+ 0 0 3 -4,-2.0 3,-1.2 1,-0.2 4,-0.2 0.948 110.5 49.6 -57.8 -52.5 5.4 56.3 5.3 64 65 A M H >< S+ 0 0 37 -4,-2.0 3,-1.5 1,-0.3 -2,-0.2 0.873 104.2 58.2 -55.8 -41.2 4.9 59.2 2.9 65 66 A A H 3< S+ 0 0 86 -4,-2.4 -1,-0.3 1,-0.2 -2,-0.2 0.712 111.1 43.7 -61.6 -20.3 3.4 61.4 5.6 66 67 A N T << S+ 0 0 66 -3,-1.2 70,-0.5 -4,-0.7 -1,-0.2 0.309 96.8 89.2-103.4 7.8 6.6 60.9 7.6 67 68 A C < - 0 0 5 -3,-1.5 6,-0.1 -4,-0.2 -1,-0.1 -0.880 45.8-179.4-118.8 103.4 9.0 61.4 4.6 68 69 A P + 0 0 109 0, 0.0 2,-0.7 0, 0.0 -1,-0.1 0.390 57.7 100.7 -81.0 8.1 10.1 65.0 4.0 69 70 A D > - 0 0 66 1,-0.1 4,-2.3 -5,-0.0 3,-0.3 -0.801 57.5-162.1 -99.2 109.4 12.2 63.9 0.9 70 71 A A H > S+ 0 0 34 -2,-0.7 4,-1.6 1,-0.2 5,-0.2 0.841 87.8 57.2 -54.3 -37.6 10.4 64.6 -2.4 71 72 A Q H > S+ 0 0 138 1,-0.2 4,-1.1 2,-0.2 -1,-0.2 0.889 109.2 45.2 -67.0 -44.4 12.5 62.2 -4.4 72 73 A T H > S+ 0 0 13 -3,-0.3 4,-3.0 1,-0.2 3,-0.5 0.933 110.6 54.1 -59.2 -47.1 11.7 59.3 -2.2 73 74 A R H X S+ 0 0 94 -4,-2.3 4,-2.0 1,-0.2 -2,-0.2 0.800 101.8 58.7 -62.3 -31.4 8.0 60.2 -2.2 74 75 A R H < S+ 0 0 177 -4,-1.6 4,-0.3 -5,-0.2 -1,-0.2 0.851 113.5 38.5 -70.4 -33.1 7.9 60.2 -6.0 75 76 A K H >< S+ 0 0 85 -4,-1.1 3,-1.1 -3,-0.5 4,-0.4 0.911 115.3 53.5 -76.5 -42.3 9.0 56.6 -6.1 76 77 A W H >X S+ 0 0 3 -4,-3.0 3,-1.6 1,-0.2 4,-0.7 0.827 97.6 64.0 -61.9 -34.4 6.9 55.6 -3.1 77 78 A V H 3X S+ 0 0 50 -4,-2.0 4,-1.9 1,-0.3 3,-0.4 0.759 86.8 71.3 -70.2 -16.7 3.6 56.9 -4.4 78 79 A Q H <> S+ 0 0 50 -3,-1.1 4,-2.9 -4,-0.3 105,-0.3 0.766 89.6 63.2 -68.7 -25.6 3.7 54.4 -7.3 79 80 A R H <> S+ 0 0 5 -3,-1.6 4,-2.0 -4,-0.4 -1,-0.3 0.903 104.6 46.0 -60.9 -41.4 3.0 51.7 -4.7 80 81 A I H X S+ 0 0 33 -4,-0.7 4,-2.7 -3,-0.4 5,-0.3 0.915 112.2 49.4 -66.2 -45.2 -0.3 53.5 -4.0 81 82 A L H X S+ 0 0 64 -4,-1.9 4,-2.1 1,-0.2 -2,-0.2 0.939 109.2 54.9 -59.8 -40.2 -1.1 53.8 -7.7 82 83 A D H < S+ 0 0 14 -4,-2.9 10,-2.6 1,-0.2 -2,-0.2 0.918 115.8 36.9 -58.7 -47.8 -0.3 50.1 -8.1 83 84 A H H < S+ 0 0 8 -4,-2.0 10,-2.1 8,-0.2 11,-0.3 0.884 126.5 33.6 -73.3 -41.7 -2.8 49.0 -5.4 84 85 A D H < S- 0 0 93 -4,-2.7 -2,-0.2 -5,-0.2 -3,-0.2 0.671 106.2-123.0 -93.9 -15.5 -5.6 51.5 -6.0 85 86 A G < - 0 0 17 -4,-2.1 2,-0.3 -5,-0.3 5,-0.2 0.021 23.3-132.0 85.4 155.9 -5.3 51.9 -9.8 86 87 A S S > S+ 0 0 43 1,-0.2 3,-2.0 -4,-0.1 5,-0.1 -0.956 72.0 20.8-141.8 166.1 -4.8 55.2 -11.7 87 88 A H T 3 S- 0 0 179 1,-0.3 2,-0.5 -2,-0.3 -1,-0.2 0.920 132.7 -56.3 40.2 54.0 -6.2 57.2 -14.7 88 89 A G T 3 S+ 0 0 84 1,-0.2 -1,-0.3 -3,-0.1 0, 0.0 0.070 109.3 129.4 72.0 -27.1 -9.4 55.1 -14.4 89 90 A E < - 0 0 129 -3,-2.0 -1,-0.2 -2,-0.5 0, 0.0 -0.079 63.3-110.8 -63.2 168.9 -7.5 51.7 -14.7 90 91 A D - 0 0 87 -5,-0.2 4,-0.4 -3,-0.1 3,-0.1 0.864 36.1-159.0 -87.0 -50.2 -8.0 49.0 -12.2 91 92 A G >> - 0 0 3 1,-0.1 4,-1.1 2,-0.1 3,-0.6 0.071 40.0 -66.9 89.3 164.2 -5.2 48.2 -9.8 92 93 A G H 3> S+ 0 0 11 -10,-2.6 4,-1.8 1,-0.3 -9,-0.2 0.805 124.5 62.8 -64.6 -31.5 -4.0 45.3 -7.6 93 94 A I H 3> S+ 0 0 30 -10,-2.1 4,-2.0 1,-0.2 -1,-0.3 0.923 102.4 50.9 -62.5 -39.6 -6.9 45.6 -5.2 94 95 A E H <> S+ 0 0 33 -3,-0.6 4,-2.0 -4,-0.4 -1,-0.2 0.851 105.2 58.4 -65.1 -29.3 -9.3 44.8 -8.1 95 96 A A H X S+ 0 0 0 -4,-1.1 4,-1.9 1,-0.2 -1,-0.2 0.923 105.6 48.5 -66.4 -38.2 -7.1 41.7 -8.9 96 97 A W H X S+ 0 0 3 -4,-1.8 4,-2.4 2,-0.2 -2,-0.2 0.886 108.8 53.0 -69.0 -39.5 -7.7 40.4 -5.4 97 98 A L H X S+ 0 0 10 -4,-2.0 4,-2.3 1,-0.2 -1,-0.2 0.889 108.8 50.1 -60.6 -39.1 -11.5 40.9 -5.7 98 99 A R H X S+ 0 0 66 -4,-2.0 4,-2.6 2,-0.2 -1,-0.2 0.887 108.8 52.3 -64.9 -38.5 -11.4 38.9 -9.0 99 100 A L H X S+ 0 0 2 -4,-1.9 4,-1.5 2,-0.2 -2,-0.2 0.917 108.0 52.2 -63.1 -41.3 -9.5 36.2 -7.2 100 101 A G H <>S+ 0 0 0 -4,-2.4 5,-2.9 2,-0.2 3,-0.4 0.925 110.8 46.7 -59.4 -47.8 -12.2 36.1 -4.5 101 102 A E H ><5S+ 0 0 72 -4,-2.3 3,-1.7 1,-0.2 -1,-0.2 0.929 108.0 57.6 -57.2 -46.0 -14.9 35.8 -7.1 102 103 A A H 3<5S+ 0 0 2 -4,-2.6 66,-2.5 1,-0.3 -1,-0.2 0.776 109.3 44.1 -58.7 -29.6 -12.9 33.1 -8.8 103 104 A V T 3<5S- 0 0 0 -4,-1.5 -1,-0.3 -3,-0.4 -2,-0.2 0.277 129.4 -92.0 -99.4 7.3 -12.9 31.0 -5.5 104 105 A G T < 5S+ 0 0 30 -3,-1.7 2,-0.3 1,-0.3 -3,-0.2 0.498 83.4 124.5 105.8 5.0 -16.5 31.6 -4.8 105 106 A L < - 0 0 17 -5,-2.9 -1,-0.3 -6,-0.2 2,-0.2 -0.694 55.7-123.3 -94.3 148.9 -16.7 34.7 -2.6 106 107 A S > - 0 0 53 -2,-0.3 4,-1.6 1,-0.1 3,-0.5 -0.596 23.2-114.6 -83.9 154.9 -18.8 37.8 -3.5 107 108 A R H > S+ 0 0 79 1,-0.3 4,-2.9 2,-0.2 5,-0.3 0.854 119.6 55.0 -51.1 -41.1 -17.3 41.3 -3.8 108 109 A D H > S+ 0 0 105 1,-0.2 4,-2.2 2,-0.2 -1,-0.3 0.855 101.3 57.7 -64.6 -35.7 -19.3 42.3 -0.8 109 110 A D H 4 S+ 0 0 27 -3,-0.5 6,-0.5 2,-0.2 5,-0.4 0.945 116.1 36.0 -55.7 -45.4 -17.9 39.4 1.2 110 111 A L H >< S+ 0 0 4 -4,-1.6 3,-1.4 2,-0.2 -2,-0.2 0.961 118.9 47.0 -74.3 -50.2 -14.4 40.8 0.5 111 112 A L H 3< S+ 0 0 98 -4,-2.9 -3,-0.2 1,-0.3 -2,-0.2 0.828 107.1 57.0 -67.9 -33.6 -15.1 44.6 0.7 112 113 A S T 3< S- 0 0 45 -4,-2.2 -1,-0.3 -5,-0.3 -2,-0.2 0.638 92.8-147.0 -71.3 -18.8 -17.1 44.3 3.8 113 114 A E X + 0 0 21 -3,-1.4 3,-1.3 -4,-0.4 -3,-0.1 0.606 53.5 135.5 60.9 15.2 -14.2 42.7 5.6 114 115 A R T 3 + 0 0 129 -5,-0.4 -1,-0.1 1,-0.2 130,-0.1 0.744 64.8 51.5 -65.7 -25.0 -16.6 40.7 7.7 115 116 A H T 3 S+ 0 0 57 -6,-0.5 2,-0.4 -5,-0.1 -1,-0.2 0.469 78.4 121.5 -91.3 0.1 -14.8 37.5 7.4 116 117 A V < - 0 0 2 -3,-1.3 -68,-0.1 -69,-0.1 -72,-0.0 -0.486 62.8-129.6 -69.5 124.9 -11.4 38.9 8.6 117 118 A L >> - 0 0 3 -2,-0.4 4,-2.6 1,-0.1 3,-0.6 -0.401 12.7-123.8 -74.5 143.1 -10.2 37.1 11.7 118 119 A P H 3> S+ 0 0 5 0, 0.0 4,-2.6 0, 0.0 5,-0.2 0.846 111.7 57.1 -56.8 -38.8 -9.1 39.2 14.7 119 120 A G H 3> S+ 0 0 12 2,-0.2 4,-1.3 1,-0.2 5,-0.1 0.801 109.3 45.4 -63.1 -35.2 -5.7 37.6 14.7 120 121 A V H <> S+ 0 0 0 -3,-0.6 4,-3.0 2,-0.2 5,-0.3 0.927 112.6 51.8 -68.7 -46.0 -5.2 38.6 11.1 121 122 A R H X S+ 0 0 0 -4,-2.6 4,-2.7 1,-0.2 -2,-0.2 0.888 109.0 49.1 -54.8 -44.3 -6.5 42.1 11.9 122 123 A F H X S+ 0 0 3 -4,-2.6 4,-1.6 2,-0.2 -1,-0.2 0.878 113.6 46.0 -69.6 -36.0 -4.1 42.6 14.8 123 124 A A H X S+ 0 0 0 -4,-1.3 4,-1.1 2,-0.2 -2,-0.2 0.944 115.3 46.0 -71.9 -45.2 -1.1 41.5 12.9 124 125 A V H >X S+ 0 0 0 -4,-3.0 4,-1.6 1,-0.2 3,-0.6 0.934 112.2 50.9 -62.3 -41.5 -1.9 43.6 9.9 125 126 A D H 3X S+ 0 0 34 -4,-2.7 4,-3.0 -5,-0.3 -1,-0.2 0.852 101.4 62.1 -67.1 -32.5 -2.7 46.6 12.0 126 127 A A H 3X S+ 0 0 10 -4,-1.6 4,-2.1 1,-0.2 -1,-0.2 0.841 103.5 51.7 -58.8 -33.3 0.6 46.3 13.8 127 128 A Y H - 0 0 50 1,-0.1 4,-2.1 4,-0.0 3,-0.5 -0.356 44.0-110.3 -59.9 151.0 11.0 57.0 11.0 136 137 A W H > S+ 0 0 36 -70,-0.5 4,-2.5 1,-0.2 5,-0.2 0.810 114.0 57.5 -61.9 -33.1 10.3 56.7 7.3 137 138 A Q H > S+ 0 0 46 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.916 110.0 43.6 -62.4 -47.4 13.6 54.9 6.5 138 139 A E H > S+ 0 0 15 -3,-0.5 4,-1.0 2,-0.2 -1,-0.2 0.866 115.0 49.0 -66.1 -38.3 12.8 52.0 8.9 139 140 A A H < S+ 0 0 0 -4,-2.1 3,-0.3 1,-0.2 4,-0.3 0.910 112.2 48.3 -71.3 -40.1 9.2 51.7 7.8 140 141 A A H >< S+ 0 0 0 -4,-2.5 3,-1.7 1,-0.2 -2,-0.2 0.879 104.6 59.5 -64.8 -38.7 10.1 51.7 4.1 141 142 A C H >< S+ 0 0 0 -4,-1.9 3,-2.1 1,-0.3 -1,-0.2 0.807 90.6 69.2 -66.0 -28.1 12.8 49.0 4.5 142 143 A S G >< S+ 0 0 0 -4,-1.0 3,-1.2 -3,-0.3 -1,-0.3 0.732 84.0 72.8 -63.8 -17.2 10.4 46.5 5.8 143 144 A S G X S+ 0 0 5 -3,-1.7 3,-1.7 -4,-0.3 -1,-0.3 0.617 71.8 90.7 -73.2 -6.9 8.7 46.4 2.4 144 145 A L G X + 0 0 3 -3,-2.1 3,-2.2 1,-0.3 -1,-0.3 0.660 58.5 85.8 -67.2 -7.3 11.8 44.4 1.2 145 146 A T G X S+ 0 0 2 -3,-1.2 3,-2.1 1,-0.3 4,-0.3 0.718 72.9 78.4 -63.6 -16.7 10.2 41.0 2.0 146 147 A E G X S+ 0 0 58 -3,-1.7 3,-1.2 1,-0.3 -1,-0.3 0.787 80.0 67.6 -61.1 -26.1 8.7 41.3 -1.4 147 148 A L G < S+ 0 0 44 -3,-2.2 -1,-0.3 39,-0.2 -2,-0.2 0.688 92.2 60.4 -62.9 -20.1 12.1 40.2 -2.7 148 149 A F G < S+ 0 0 31 -3,-2.1 -1,-0.2 -4,-0.2 -2,-0.2 0.528 76.3 111.8 -86.5 -12.9 11.4 36.8 -1.2 149 150 A A < - 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0 0 2 -3,-1.8 -68,-0.1 -69,-0.1 -72,-0.0 -0.531 62.9-130.8 -76.5 123.4 6.5 36.8 24.4 372 118 B L > - 0 0 4 -2,-0.4 4,-2.5 1,-0.1 3,-0.5 -0.418 13.2-122.7 -72.2 143.0 4.9 35.4 21.2 373 119 B P H > S+ 0 0 3 0, 0.0 4,-2.8 0, 0.0 5,-0.2 0.869 112.4 57.1 -50.2 -43.6 4.4 37.7 18.3 374 120 B G H > S+ 0 0 11 1,-0.2 4,-1.6 2,-0.2 5,-0.1 0.870 109.4 45.0 -60.2 -39.5 0.7 36.8 18.3 375 121 B V H > S+ 0 0 0 -3,-0.5 4,-2.5 2,-0.2 5,-0.3 0.921 112.2 52.2 -67.4 -45.8 0.4 38.0 21.9 376 122 B R H X S+ 0 0 1 -4,-2.5 4,-2.7 1,-0.2 -2,-0.2 0.904 109.4 48.9 -58.3 -43.0 2.4 41.1 21.2 377 123 B F H X S+ 0 0 3 -4,-2.8 4,-1.7 2,-0.2 -1,-0.2 0.911 112.4 47.7 -70.8 -36.3 0.2 42.1 18.2 378 124 B A H X S+ 0 0 0 -4,-1.6 4,-1.1 -5,-0.2 -2,-0.2 0.943 115.8 43.5 -68.2 -44.9 -3.0 41.7 20.2 379 125 B V H X S+ 0 0 0 -4,-2.5 4,-1.6 1,-0.2 3,-0.4 0.887 111.3 54.1 -67.6 -39.3 -1.8 43.6 23.2 380 126 B D H X S+ 0 0 35 -4,-2.7 4,-2.8 -5,-0.3 -1,-0.2 0.811 100.6 61.1 -65.0 -33.8 -0.3 46.3 21.0 381 127 B A H X S+ 0 0 11 -4,-1.7 4,-1.9 2,-0.2 -1,-0.2 0.845 103.4 51.9 -56.6 -37.7 -3.7 46.7 19.3 382 128 B Y H X S+ 0 0 4 -4,-1.1 4,-2.3 -3,-0.4 -2,-0.2 0.968 111.5 44.9 -63.3 -52.6 -5.0 47.7 22.7 383 129 B L H X S+ 0 0 15 -4,-1.6 4,-1.9 1,-0.2 -2,-0.2 0.915 113.4 50.8 -53.3 -49.4 -2.3 50.3 23.3 384 130 B N H X S+ 0 0 30 -4,-2.8 4,-1.5 2,-0.2 -1,-0.2 0.886 108.4 51.3 -63.9 -35.6 -2.7 51.7 19.8 385 131 B F H X S+ 0 0 5 -4,-1.9 4,-3.0 1,-0.2 3,-0.3 0.939 109.9 49.8 -63.6 -47.9 -6.5 52.0 20.1 386 132 B A H < S+ 0 0 1 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.845 108.3 54.5 -60.5 -32.9 -6.0 53.9 23.4 387 133 B R H < S+ 0 0 105 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.2 0.823 122.6 26.0 -67.8 -32.3 -3.5 56.2 21.7 388 134 B R H < S+ 0 0 92 -4,-1.5 -2,-0.2 -3,-0.3 -3,-0.1 0.796 101.7 82.3-105.4 -35.4 -5.9 57.1 18.9 389 135 B A S < S- 0 0 8 -4,-3.0 -139,-0.1 -5,-0.2 -68,-0.0 -0.249 91.4 -86.7 -68.3 159.7 -9.5 56.8 20.1 390 136 B C >> - 0 0 50 1,-0.1 4,-1.9 4,-0.0 3,-0.6 -0.390 44.5-111.8 -64.8 150.7 -11.3 59.4 22.1 391 137 B W H 3> S+ 0 0 36 -70,-0.6 4,-2.7 1,-0.3 5,-0.2 0.811 113.6 57.7 -60.1 -31.6 -10.6 59.0 25.9 392 138 B Q H 3> S+ 0 0 46 1,-0.2 4,-2.1 2,-0.2 -1,-0.3 0.884 108.7 45.8 -64.4 -42.5 -14.2 57.9 26.7 393 139 B E H <> S+ 0 0 16 -3,-0.6 4,-1.1 2,-0.2 -1,-0.2 0.906 115.3 45.6 -71.3 -39.1 -14.1 55.0 24.3 394 140 B A H < S+ 0 0 0 -4,-1.9 4,-0.4 2,-0.2 -2,-0.2 0.880 113.1 50.5 -70.1 -39.9 -10.7 53.8 25.4 395 141 B A H >< S+ 0 0 0 -4,-2.7 3,-1.7 -5,-0.2 -2,-0.2 0.935 106.0 55.7 -63.0 -45.5 -11.6 54.1 29.1 396 142 B C H >< S+ 0 0 0 -4,-2.1 3,-1.9 1,-0.3 -1,-0.2 0.783 92.5 69.7 -57.9 -34.3 -14.8 52.2 28.6 397 143 B S G >< S+ 0 0 0 -4,-1.1 3,-1.0 1,-0.3 -1,-0.3 0.731 85.0 71.9 -60.8 -19.5 -13.0 49.2 27.1 398 144 B S G X S+ 0 0 3 -3,-1.7 3,-1.6 -4,-0.4 -1,-0.3 0.565 72.7 89.6 -68.0 -9.8 -11.4 48.6 30.7 399 145 B L G X + 0 0 2 -3,-1.9 3,-2.2 1,-0.3 -1,-0.2 0.571 59.2 84.4 -75.1 -5.3 -14.9 47.3 31.9 400 146 B T G X S+ 0 0 3 -3,-1.0 3,-2.5 1,-0.3 -1,-0.3 0.745 73.3 79.5 -60.1 -20.8 -14.2 43.7 30.9 401 147 B E G X S+ 0 0 57 -3,-1.6 3,-1.5 1,-0.3 -1,-0.3 0.812 78.6 69.3 -56.9 -24.1 -12.5 43.7 34.3 402 148 B L G < S+ 0 0 46 -3,-2.2 -1,-0.3 1,-0.2 -2,-0.2 0.612 90.3 60.5 -67.1 -10.4 -16.1 43.3 35.6 403 149 B F G < S+ 0 0 33 -3,-2.5 -1,-0.2 -4,-0.1 -2,-0.2 0.469 80.7 121.6 -95.8 -4.5 -16.3 39.8 34.1 404 150 B A S < S- 0 0 50 -3,-1.5 -3,-0.0 -4,-0.3 -127,-0.0 -0.047 70.7 -87.1 -59.8 157.9 -13.3 38.6 36.3 405 151 B P - 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