==== 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 21-JUL-05 2AE3 . COMPND 2 MOLECULE: GLUTARYL 7-AMINOCEPHALOSPORANIC ACID ACYLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOMONAS SP.; . AUTHOR J.K.KIM,I.S.YANG,H.J.SHIN,K.J.CHO,E.K.RYU,S.H.KIM,S.S.PARK,K . 681 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 26165.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 424 62.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 13 1.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 118 17.3 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 . 5 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 6 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 . 1 0.1 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 . 34 5.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 63 9.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 163 23.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 11 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 1 4 0 1 2 2 1 3 0 0 1 1 0 0 0 1 1 0 0 0 0 0 0 1 0 0 0 RESIDUES PER ALPHA HELIX . 3 1 1 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 . 5 3 6 5 3 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 . 3 3 1 0 1 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 7 A Q 0 0 197 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 127.2 39.8 -54.0 -104.7 2 8 A A - 0 0 76 1,-0.1 3,-0.1 623,-0.0 0, 0.0 -0.424 360.0-104.0 -81.3 154.6 40.1 -54.0 -108.5 3 9 A P - 0 0 63 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.213 56.3 -76.0 -64.1 168.3 38.3 -56.5 -110.8 4 10 A I - 0 0 61 1,-0.2 2,-0.2 218,-0.1 218,-0.1 -0.264 63.2 -79.4 -65.4 155.6 40.5 -59.3 -112.3 5 11 A A - 0 0 99 -3,-0.1 -1,-0.2 1,-0.1 2,-0.0 -0.418 52.2-122.3 -57.2 120.0 42.8 -58.4 -115.1 6 12 A A - 0 0 69 -2,-0.2 2,-0.3 -3,-0.1 -1,-0.1 -0.341 25.7-112.7 -57.4 145.5 40.8 -58.3 -118.3 7 13 A Y - 0 0 81 193,-0.1 193,-0.1 -2,-0.0 -1,-0.1 -0.692 22.0-150.0 -82.8 137.5 41.9 -60.6 -121.1 8 14 A K - 0 0 99 -2,-0.3 19,-0.1 194,-0.1 2,-0.1 -0.894 15.3-138.0-111.1 101.4 43.4 -59.0 -124.3 9 15 A P - 0 0 9 0, 0.0 3,-0.1 0, 0.0 17,-0.0 -0.353 17.5-172.7 -60.1 135.0 42.7 -61.1 -127.4 10 16 A R S S+ 0 0 206 1,-0.2 2,-0.3 -2,-0.1 17,-0.1 0.448 70.9 27.8-104.6 -11.2 45.7 -61.4 -129.8 11 17 A S S S- 0 0 60 2,-0.1 2,-0.5 15,-0.1 -1,-0.2 -0.991 83.8-104.0-147.7 161.1 43.7 -63.2 -132.5 12 18 A N + 0 0 25 -2,-0.3 666,-1.3 666,-0.3 2,-0.3 -0.737 58.7 135.8 -87.2 122.9 40.2 -63.5 -133.9 13 19 A E E -AB 25 677A 25 12,-2.2 12,-3.2 -2,-0.5 2,-0.5 -0.986 46.4-136.8-164.2 151.3 38.6 -66.8 -132.9 14 20 A I E -AB 24 676A 0 662,-2.3 662,-2.6 -2,-0.3 2,-0.6 -0.980 15.8-162.8-111.8 125.0 35.5 -68.6 -131.5 15 21 A L E -AB 23 675A 0 8,-2.4 8,-2.1 -2,-0.5 2,-0.4 -0.960 12.5-159.7-104.9 114.4 36.0 -71.2 -128.9 16 22 A W E -AB 22 674A 7 658,-2.8 657,-2.9 -2,-0.6 658,-1.1 -0.797 3.8-147.6 -95.5 137.9 32.8 -73.4 -128.7 17 23 A D > - 0 0 16 4,-1.6 3,-1.6 -2,-0.4 655,-0.1 -0.307 38.6 -85.3 -92.8-177.9 32.1 -75.4 -125.5 18 24 A G T 3 S+ 0 0 38 653,-0.4 654,-0.1 1,-0.3 -2,-0.0 0.565 125.8 53.8 -68.8 -10.2 30.3 -78.8 -125.3 19 25 A Y T 3 S- 0 0 63 2,-0.1 618,-0.6 626,-0.0 -1,-0.3 0.326 121.2-100.6-104.1 7.1 26.8 -77.1 -125.2 20 26 A G S < S+ 0 0 4 -3,-1.6 -2,-0.1 1,-0.3 175,-0.1 0.785 70.6 150.6 78.5 29.4 27.3 -75.1 -128.4 21 27 A V - 0 0 0 175,-0.1 -4,-1.6 173,-0.0 2,-0.4 -0.850 38.4-140.6 -92.3 119.3 28.1 -71.8 -126.6 22 28 A P E -A 16 0A 0 0, 0.0 175,-1.7 0, 0.0 2,-0.7 -0.663 9.9-161.9 -81.0 129.4 30.4 -69.5 -128.6 23 29 A H E -Ac 15 197A 2 -8,-2.1 -8,-2.4 -2,-0.4 2,-0.6 -0.913 19.2-159.0-106.0 100.9 33.1 -67.6 -126.8 24 30 A I E -Ac 14 198A 0 173,-3.1 175,-2.4 -2,-0.7 2,-0.5 -0.748 9.8-170.2 -88.5 112.3 34.0 -65.0 -129.4 25 31 A Y E +Ac 13 199A 2 -12,-3.2 -12,-2.2 -2,-0.6 2,-0.3 -0.913 8.6 179.1-102.3 123.7 37.4 -63.3 -129.1 26 32 A G - 0 0 0 173,-2.6 -14,-0.1 -2,-0.5 3,-0.1 -0.960 34.5-139.3-122.1 144.6 38.0 -60.2 -131.3 27 33 A V S S+ 0 0 57 -2,-0.3 2,-0.3 173,-0.2 173,-0.1 0.641 94.8 2.6 -74.7 -15.6 41.1 -58.0 -131.5 28 34 A D S > S- 0 0 70 171,-0.1 4,-1.9 172,-0.1 5,-0.2 -0.923 91.7 -86.9-154.8-179.9 38.7 -55.1 -131.7 29 35 A A H > S+ 0 0 25 -2,-0.3 4,-2.5 1,-0.2 5,-0.2 0.907 120.2 51.8 -66.6 -47.5 34.9 -54.5 -131.6 30 36 A P H > S+ 0 0 35 0, 0.0 4,-1.9 0, 0.0 -1,-0.2 0.895 110.2 53.4 -57.8 -34.1 34.0 -55.0 -135.3 31 37 A S H > S+ 0 0 4 2,-0.2 4,-2.4 1,-0.2 -2,-0.2 0.959 109.3 46.0 -64.5 -48.6 35.9 -58.3 -135.1 32 38 A A H X S+ 0 0 0 -4,-1.9 4,-2.2 1,-0.2 -1,-0.2 0.904 112.3 51.5 -61.6 -39.8 33.9 -59.5 -132.1 33 39 A F H X S+ 0 0 1 -4,-2.5 4,-1.9 2,-0.2 -1,-0.2 0.876 109.1 50.7 -65.8 -34.3 30.6 -58.4 -133.7 34 40 A Y H X S+ 0 0 27 -4,-1.9 4,-2.4 -5,-0.2 -2,-0.2 0.918 110.2 49.9 -67.7 -44.1 31.6 -60.3 -136.9 35 41 A G H X S+ 0 0 0 -4,-2.4 4,-2.6 1,-0.2 -2,-0.2 0.877 109.5 52.2 -58.1 -37.0 32.3 -63.4 -134.8 36 42 A Y H X S+ 0 0 0 -4,-2.2 4,-2.2 2,-0.2 -2,-0.2 0.883 109.8 47.6 -70.2 -40.0 28.9 -63.0 -133.1 37 43 A G H X S+ 0 0 0 -4,-1.9 4,-1.8 2,-0.2 -2,-0.2 0.912 111.9 50.8 -66.6 -42.8 27.1 -62.8 -136.4 38 44 A W H X S+ 0 0 27 -4,-2.4 4,-2.1 2,-0.2 -2,-0.2 0.949 112.4 46.2 -55.9 -53.8 28.9 -65.9 -137.7 39 45 A A H X S+ 0 0 0 -4,-2.6 4,-2.7 1,-0.2 5,-0.2 0.874 111.8 50.8 -57.6 -41.8 28.0 -67.8 -134.5 40 46 A Q H X S+ 0 0 0 -4,-2.2 4,-2.4 1,-0.2 -1,-0.2 0.832 109.7 50.5 -68.1 -33.3 24.4 -66.8 -134.7 41 47 A A H X S+ 0 0 2 -4,-1.8 4,-1.6 3,-0.2 -1,-0.2 0.881 111.9 48.8 -72.0 -34.9 24.2 -67.8 -138.3 42 48 A R H < S+ 0 0 69 -4,-2.1 -2,-0.2 2,-0.2 -1,-0.2 0.963 121.4 32.9 -65.0 -50.5 25.6 -71.2 -137.3 43 49 A S H < S+ 0 0 5 -4,-2.7 596,-1.8 1,-0.2 597,-0.7 0.779 143.7 6.6 -80.6 -26.5 23.3 -71.8 -134.4 44 50 A H H X S+ 0 0 3 -4,-2.4 4,-1.9 -5,-0.2 3,-0.3 0.107 80.1 135.9-148.3 24.1 20.1 -70.1 -135.8 45 51 A G H X + 0 0 2 -4,-1.6 4,-2.2 1,-0.2 5,-0.2 0.790 69.8 51.5 -55.0 -46.2 20.8 -69.0 -139.3 46 52 A D H > S+ 0 0 23 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.941 113.7 42.5 -58.0 -51.9 17.6 -70.1 -141.0 47 53 A N H > S+ 0 0 36 -3,-0.3 4,-2.0 1,-0.2 -1,-0.2 0.841 112.5 53.8 -74.1 -26.3 15.2 -68.3 -138.6 48 54 A I H X S+ 0 0 1 -4,-1.9 4,-2.3 2,-0.2 -1,-0.2 0.907 110.4 47.6 -68.8 -39.1 17.4 -65.2 -138.5 49 55 A L H X S+ 0 0 2 -4,-2.2 4,-2.6 2,-0.2 -2,-0.2 0.902 110.3 52.3 -69.7 -37.9 17.3 -64.9 -142.3 50 56 A R H X S+ 0 0 68 -4,-2.1 4,-1.8 1,-0.2 -1,-0.2 0.925 112.8 44.9 -61.7 -44.2 13.5 -65.5 -142.3 51 57 A L H X S+ 0 0 0 -4,-2.0 4,-2.0 2,-0.2 -1,-0.2 0.870 110.9 52.5 -69.6 -38.7 13.0 -62.7 -139.8 52 58 A Y H X S+ 0 0 1 -4,-2.3 4,-1.3 1,-0.2 -2,-0.2 0.933 109.3 50.4 -63.9 -44.7 15.4 -60.3 -141.6 53 59 A G H <>S+ 0 0 0 -4,-2.6 5,-1.8 1,-0.2 3,-0.3 0.876 108.9 52.1 -56.1 -42.1 13.5 -60.9 -144.8 54 60 A E H ><5S+ 0 0 15 -4,-1.8 3,-1.4 1,-0.2 5,-0.4 0.893 106.8 52.3 -63.0 -40.4 10.2 -60.1 -143.0 55 61 A A H 3<5S+ 0 0 0 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.710 99.4 63.9 -74.1 -20.7 11.6 -56.8 -141.6 56 62 A R T 3<5S- 0 0 48 -4,-1.3 -1,-0.3 -3,-0.3 -2,-0.2 0.551 119.6-111.4 -65.7 -13.2 12.6 -55.8 -145.2 57 63 A G T < 5S+ 0 0 7 -3,-1.4 3,-0.2 -4,-0.2 4,-0.2 0.563 92.2 111.4 85.3 14.9 8.9 -55.8 -146.0 58 64 A K >< + 0 0 78 -5,-1.8 4,-2.7 -6,-0.2 5,-0.2 0.198 28.6 107.3-112.8 18.6 9.5 -58.9 -148.2 59 65 A G H >>S+ 0 0 0 -5,-0.4 4,-2.6 1,-0.2 5,-0.5 0.902 85.6 46.2 -63.9 -45.0 7.9 -61.8 -146.4 60 66 A A H >5S+ 0 0 0 7,-0.4 207,-2.5 -3,-0.2 4,-1.4 0.881 114.8 48.4 -60.7 -41.5 5.0 -62.0 -148.9 61 67 A E H 45S+ 0 0 32 205,-0.3 -2,-0.2 -4,-0.2 -1,-0.2 0.905 119.9 36.2 -67.1 -43.4 7.4 -61.7 -151.8 62 68 A Y H <5S+ 0 0 18 -4,-2.7 -2,-0.2 203,-0.1 -3,-0.2 0.878 137.3 11.2 -78.8 -40.8 9.8 -64.4 -150.5 63 69 A W H <5S- 0 0 31 -4,-2.6 3,-0.4 1,-0.3 -3,-0.2 0.411 96.3-129.1-130.4 -3.6 7.3 -66.9 -148.9 64 70 A G ><< - 0 0 2 -4,-1.4 3,-2.0 -5,-0.5 4,-0.4 -0.390 57.2 -13.0 95.7-164.3 3.7 -66.0 -149.9 65 71 A P T 3 S+ 0 0 83 0, 0.0 3,-0.5 0, 0.0 4,-0.4 0.614 119.2 65.5 -58.3 -24.2 0.3 -65.4 -148.2 66 72 A D T 3 S+ 0 0 153 -3,-0.4 4,-0.1 1,-0.2 -2,-0.1 0.660 111.1 39.9 -66.4 -21.2 1.2 -66.8 -144.7 67 73 A Y S <> S+ 0 0 47 -3,-2.0 4,-1.7 -8,-0.2 -7,-0.4 0.447 92.4 93.7-103.6 -4.4 3.6 -63.9 -144.4 68 74 A E H > S+ 0 0 20 -3,-0.5 4,-2.3 -4,-0.4 5,-0.2 0.780 78.6 53.5 -65.9 -38.2 1.3 -61.3 -146.1 69 75 A Q H > S+ 0 0 129 -4,-0.4 4,-1.9 2,-0.2 -1,-0.2 0.839 109.8 48.5 -70.0 -35.6 -0.3 -59.8 -143.0 70 76 A T H > S+ 0 0 36 -3,-0.3 4,-2.6 2,-0.2 5,-0.2 0.921 110.6 52.3 -70.1 -40.6 3.0 -59.0 -141.4 71 77 A T H X S+ 0 0 0 -4,-1.7 4,-2.6 2,-0.2 5,-0.3 0.925 110.5 46.7 -57.1 -51.4 4.2 -57.4 -144.6 72 78 A V H X S+ 0 0 25 -4,-2.3 4,-2.0 1,-0.2 -1,-0.2 0.894 113.0 51.5 -57.2 -44.0 1.1 -55.1 -144.8 73 79 A W H X S+ 0 0 6 -4,-1.9 4,-1.4 1,-0.2 -2,-0.2 0.922 114.7 40.9 -59.9 -45.3 1.6 -54.2 -141.1 74 80 A L H <>S+ 0 0 0 -4,-2.6 5,-2.3 2,-0.2 -2,-0.2 0.873 115.3 47.9 -79.0 -36.2 5.3 -53.3 -141.6 75 81 A L H ><5S+ 0 0 42 -4,-2.6 3,-1.2 -5,-0.2 -1,-0.2 0.905 111.7 51.6 -69.4 -40.4 5.0 -51.4 -144.9 76 82 A T H 3<5S+ 0 0 11 -4,-2.0 -2,-0.2 -5,-0.3 -1,-0.2 0.844 112.6 45.3 -64.6 -34.1 2.0 -49.4 -143.6 77 83 A N T 3<5S- 0 0 5 -4,-1.4 -1,-0.3 -5,-0.2 -2,-0.2 0.304 112.9-122.6 -92.4 4.8 4.0 -48.4 -140.5 78 84 A G T <>5 + 0 0 23 -3,-1.2 4,-2.6 1,-0.1 5,-0.2 0.665 58.9 149.6 68.7 22.2 7.0 -47.6 -142.6 79 85 A V H >< + 0 0 0 -5,-2.3 4,-2.0 2,-0.2 5,-0.1 0.894 65.8 46.9 -58.8 -50.4 9.4 -50.0 -140.8 80 86 A P H > S+ 0 0 22 0, 0.0 4,-1.4 0, 0.0 -1,-0.2 0.946 117.1 43.3 -62.2 -46.7 11.7 -51.0 -143.7 81 87 A E H > S+ 0 0 156 1,-0.2 4,-1.6 2,-0.2 3,-0.3 0.919 114.1 50.9 -62.8 -42.3 12.3 -47.4 -144.9 82 88 A R H X S+ 0 0 44 -4,-2.6 4,-3.0 1,-0.2 -1,-0.2 0.851 104.4 58.6 -65.8 -32.0 12.6 -46.1 -141.3 83 89 A A H X S+ 0 0 1 -4,-2.0 4,-2.4 2,-0.2 -1,-0.2 0.873 102.4 53.0 -64.0 -39.0 15.2 -48.8 -140.6 84 90 A Q H X S+ 0 0 105 -4,-1.4 4,-2.7 -3,-0.3 -1,-0.2 0.897 111.0 48.8 -61.5 -37.9 17.4 -47.4 -143.4 85 91 A Q H X S+ 0 0 107 -4,-1.6 4,-2.6 2,-0.2 -2,-0.2 0.946 110.0 48.3 -68.3 -45.9 17.1 -44.0 -141.7 86 92 A W H < S+ 0 0 11 -4,-3.0 4,-0.4 2,-0.2 -1,-0.2 0.896 111.7 53.4 -59.3 -36.7 18.0 -45.4 -138.3 87 93 A Y H >< S+ 0 0 50 -4,-2.4 3,-1.7 2,-0.2 -2,-0.2 0.962 110.8 43.0 -62.4 -56.0 20.9 -47.1 -140.0 88 94 A A H 3< S+ 0 0 69 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.855 111.0 59.8 -56.9 -33.3 22.3 -43.9 -141.7 89 95 A Q T 3< S+ 0 0 109 -4,-2.6 -1,-0.3 -5,-0.2 -2,-0.2 0.481 82.8 109.1 -78.2 -4.2 21.6 -42.1 -138.4 90 96 A Q S < S- 0 0 12 -3,-1.7 218,-0.1 -4,-0.4 -3,-0.0 -0.346 80.7-100.7 -64.8 151.0 24.0 -44.4 -136.4 91 97 A S > - 0 0 40 1,-0.1 4,-2.5 -2,-0.1 5,-0.2 -0.466 37.3-112.2 -61.0 146.0 27.3 -43.1 -135.0 92 98 A P H > S+ 0 0 91 0, 0.0 4,-1.7 0, 0.0 5,-0.1 0.859 114.0 49.8 -45.5 -50.7 30.2 -44.2 -137.3 93 99 A D H > S+ 0 0 135 1,-0.2 4,-1.1 2,-0.2 -3,-0.0 0.904 114.6 41.8 -62.9 -45.7 31.7 -46.6 -134.7 94 100 A F H > S+ 0 0 3 1,-0.2 4,-1.9 2,-0.2 3,-0.2 0.860 111.1 57.2 -73.3 -31.9 28.5 -48.4 -133.9 95 101 A R H X S+ 0 0 64 -4,-2.5 4,-2.0 1,-0.2 -1,-0.2 0.866 103.1 54.6 -62.2 -37.6 27.5 -48.5 -137.5 96 102 A A H X S+ 0 0 41 -4,-1.7 4,-1.7 1,-0.2 -1,-0.2 0.807 105.9 52.6 -66.4 -31.0 30.8 -50.3 -138.2 97 103 A N H X S+ 0 0 13 -4,-1.1 4,-2.4 -3,-0.2 -2,-0.2 0.903 109.3 48.9 -69.6 -41.0 29.8 -52.9 -135.6 98 104 A L H X S+ 0 0 0 -4,-1.9 4,-2.0 2,-0.2 -2,-0.2 0.853 110.9 49.6 -64.9 -38.5 26.4 -53.5 -137.3 99 105 A D H X S+ 0 0 62 -4,-2.0 4,-2.0 2,-0.2 -1,-0.2 0.882 111.7 49.5 -65.9 -43.5 28.1 -53.9 -140.7 100 106 A A H X S+ 0 0 0 -4,-1.7 4,-2.5 2,-0.2 -2,-0.2 0.926 108.9 52.3 -60.4 -46.3 30.6 -56.4 -139.2 101 107 A F H X S+ 0 0 0 -4,-2.4 4,-1.6 1,-0.2 -2,-0.2 0.925 113.5 44.0 -55.4 -49.5 27.7 -58.4 -137.5 102 108 A A H X S+ 0 0 2 -4,-2.0 4,-2.2 1,-0.2 24,-0.3 0.840 110.2 54.7 -65.8 -35.5 25.9 -58.6 -140.9 103 109 A A H X S+ 0 0 29 -4,-2.0 4,-2.4 2,-0.2 -2,-0.2 0.874 105.1 55.7 -66.8 -35.0 29.2 -59.5 -142.6 104 110 A G H X S+ 0 0 0 -4,-2.5 4,-2.2 2,-0.2 -2,-0.2 0.896 107.5 47.3 -61.9 -43.5 29.6 -62.3 -140.1 105 111 A I H X S+ 0 0 3 -4,-1.6 4,-2.3 2,-0.2 -2,-0.2 0.933 113.5 49.0 -60.3 -48.4 26.2 -63.8 -141.1 106 112 A N H X S+ 0 0 38 -4,-2.2 4,-2.5 1,-0.2 -2,-0.2 0.872 111.1 49.5 -58.6 -41.2 27.0 -63.4 -144.8 107 113 A A H X S+ 0 0 18 -4,-2.4 4,-2.6 2,-0.2 5,-0.3 0.928 108.4 51.6 -68.9 -46.7 30.4 -65.1 -144.3 108 114 A Y H X S+ 0 0 9 -4,-2.2 4,-1.8 1,-0.2 -2,-0.2 0.957 113.9 45.8 -53.2 -51.5 29.0 -68.1 -142.4 109 115 A A H < S+ 0 0 6 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.895 112.2 49.8 -59.2 -46.3 26.4 -68.6 -145.2 110 116 A Q H < S+ 0 0 157 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.885 116.2 42.1 -59.9 -42.0 29.0 -68.2 -148.0 111 117 A Q H < S+ 0 0 136 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.698 126.8 31.7 -82.5 -18.1 31.4 -70.7 -146.4 112 118 A N >< + 0 0 41 -4,-1.8 3,-1.5 -5,-0.3 4,-0.3 -0.482 65.0 154.8-136.0 63.2 28.6 -73.3 -145.3 113 119 A P G > S+ 0 0 75 0, 0.0 3,-1.1 0, 0.0 -1,-0.1 0.756 70.4 67.6 -69.2 -23.3 25.9 -73.0 -148.0 114 120 A D G 3 S+ 0 0 124 1,-0.2 -5,-0.1 -3,-0.1 -2,-0.0 0.783 97.1 57.6 -58.6 -28.0 24.7 -76.6 -147.2 115 121 A D G < S+ 0 0 64 -3,-1.5 2,-0.5 -6,-0.2 -1,-0.2 0.565 89.4 83.4 -83.4 -11.3 23.6 -75.3 -143.8 116 122 A I S < S- 0 0 4 -3,-1.1 5,-0.1 -4,-0.3 -75,-0.0 -0.832 83.8-122.0 -98.2 127.4 21.2 -72.6 -145.2 117 123 A S >> - 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0 0 49 -278,-0.2 4,-2.3 -277,-0.1 5,-0.2 -0.690 35.3-110.0 -92.5 163.7 24.4 -67.4 -100.5 450 290 B L H > S+ 0 0 1 -2,-0.3 4,-2.1 1,-0.2 5,-0.1 0.871 120.6 54.6 -56.4 -39.2 24.4 -67.9 -104.3 451 291 B E H > S+ 0 0 109 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.874 109.3 43.4 -65.9 -42.1 23.3 -71.5 -103.5 452 292 B R H > S+ 0 0 123 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.857 112.1 55.8 -75.8 -32.2 20.3 -70.5 -101.4 453 293 B F H X S+ 0 0 0 -4,-2.3 4,-1.4 2,-0.2 -2,-0.2 0.901 109.3 46.9 -58.3 -45.1 19.4 -67.8 -104.0 454 294 B M H X S+ 0 0 32 -4,-2.1 4,-0.9 2,-0.2 -2,-0.2 0.928 110.8 51.3 -65.4 -43.5 19.4 -70.6 -106.6 455 295 B A H >< S+ 0 0 47 -4,-2.1 3,-0.8 1,-0.2 4,-0.2 0.889 107.4 53.7 -62.1 -39.5 17.3 -72.9 -104.5 456 296 B L H >< S+ 0 0 6 -4,-2.3 3,-1.6 1,-0.2 -1,-0.2 0.848 100.3 61.6 -65.2 -34.3 14.8 -70.0 -103.9 457 297 B Q H 3< S+ 0 0 0 -4,-1.4 -1,-0.2 1,-0.3 -2,-0.2 0.788 94.0 63.4 -60.9 -30.4 14.5 -69.6 -107.7 458 298 B L T << S+ 0 0 44 -4,-0.9 -1,-0.3 -3,-0.8 -2,-0.2 0.529 73.7 142.3 -74.7 -4.7 13.1 -73.2 -108.0 459 299 B S < + 0 0 22 -3,-1.6 137,-2.6 -4,-0.2 136,-0.6 -0.025 20.5 170.8 -41.9 133.5 10.0 -72.3 -105.9 460 300 B H + 0 0 49 134,-0.2 38,-2.4 135,-0.2 2,-0.2 -0.229 13.0 159.7-146.6 45.4 6.9 -74.0 -107.1 461 301 B R B -A 497 0J 69 132,-0.4 2,-1.7 36,-0.2 36,-0.2 -0.502 44.4-134.2 -79.7 136.4 4.3 -73.4 -104.6 462 302 B A >> + 0 0 0 34,-3.0 4,-1.3 -2,-0.2 3,-1.3 -0.534 35.4 172.1 -80.1 69.6 0.6 -73.7 -105.4 463 303 B V H 3> S+ 0 0 5 -2,-1.7 4,-1.1 1,-0.3 130,-0.2 0.808 71.7 61.2 -55.8 -30.2 -0.1 -70.4 -103.6 464 304 B M H 3> S+ 0 0 4 128,-2.0 4,-1.4 1,-0.2 3,-0.4 0.881 98.4 55.8 -67.5 -36.6 -3.7 -70.5 -104.8 465 305 B A H X> S+ 0 0 0 -3,-1.3 4,-3.1 127,-0.3 3,-0.6 0.935 104.8 53.7 -54.8 -49.2 -4.3 -73.7 -103.0 466 306 B D H 3< S+ 0 0 42 -4,-1.3 -1,-0.2 1,-0.2 -2,-0.2 0.782 112.5 45.1 -51.8 -31.6 -3.1 -71.9 -99.8 467 307 B R H 3< S+ 0 0 17 -4,-1.1 74,-2.2 -3,-0.4 -1,-0.2 0.699 127.7 23.2 -89.2 -20.7 -5.7 -69.2 -100.5 468 308 B T H XX S+ 0 0 0 -4,-1.4 4,-2.2 -3,-0.6 3,-0.6 0.752 103.9 71.0-116.9 -34.7 -8.6 -71.5 -101.3 469 309 B L H 3X S+ 0 0 0 -4,-3.1 4,-2.3 -5,-0.3 -3,-0.1 0.817 87.9 65.2 -64.7 -37.3 -8.3 -75.0 -99.9 470 310 B P H 34 S+ 0 0 53 0, 0.0 -1,-0.2 0, 0.0 -2,-0.1 0.917 117.4 29.3 -48.6 -43.6 -8.9 -74.0 -96.2 471 311 B D H <> S+ 0 0 58 -3,-0.6 4,-1.2 2,-0.1 -2,-0.2 0.796 119.9 54.3 -84.3 -33.0 -12.5 -73.0 -97.2 472 312 B L H X S+ 0 0 1 -4,-2.2 4,-2.2 2,-0.2 -3,-0.2 0.898 100.2 57.3 -74.8 -41.8 -13.0 -75.4 -100.1 473 313 B I H X S+ 0 0 19 -4,-2.3 4,-1.6 2,-0.2 5,-0.2 0.927 107.7 44.2 -59.2 -56.3 -12.1 -78.8 -98.4 474 314 B P H >> S+ 0 0 70 0, 0.0 4,-0.8 0, 0.0 3,-0.5 0.939 114.5 50.2 -53.9 -49.4 -14.7 -78.6 -95.5 475 315 B A H >< S+ 0 0 21 -4,-1.2 3,-0.5 1,-0.2 4,-0.4 0.871 111.7 49.6 -55.9 -39.1 -17.5 -77.4 -97.9 476 316 B A H >< S+ 0 0 0 -4,-2.2 3,-0.8 1,-0.2 -1,-0.2 0.766 102.5 59.4 -71.9 -27.6 -16.6 -80.3 -100.3 477 317 B L H << S+ 0 0 61 -4,-1.6 -1,-0.2 -3,-0.5 -2,-0.2 0.658 97.7 62.9 -78.3 -14.0 -16.7 -83.0 -97.5 478 318 B I T << S+ 0 0 143 -4,-0.8 -1,-0.2 -3,-0.5 -2,-0.2 0.704 82.2 102.0 -73.0 -25.1 -20.3 -82.0 -96.9 479 319 B D S < S- 0 0 27 -3,-0.8 6,-0.2 -4,-0.4 -3,-0.0 -0.319 72.3-136.6 -72.3 143.9 -21.4 -83.1 -100.4 480 320 B P S S+ 0 0 108 0, 0.0 -1,-0.1 0, 0.0 -3,-0.0 0.784 75.4 101.4 -72.0 -25.8 -23.1 -86.5 -100.8 481 321 B D > - 0 0 55 1,-0.2 4,-2.0 2,-0.1 3,-0.4 -0.433 63.2-152.7 -64.5 116.6 -21.1 -87.5 -103.9 482 322 B P H > S+ 0 0 94 0, 0.0 4,-1.7 0, 0.0 -1,-0.2 0.709 96.5 57.0 -63.5 -24.2 -18.3 -90.0 -102.8 483 323 B E H > S+ 0 0 72 2,-0.2 4,-1.8 3,-0.1 5,-0.1 0.828 106.9 48.4 -71.6 -36.7 -16.2 -88.9 -105.8 484 324 B V H > S+ 0 0 0 -3,-0.4 4,-2.1 2,-0.2 -1,-0.1 0.940 112.3 48.1 -67.8 -46.8 -16.4 -85.3 -104.5 485 325 B Q H X S+ 0 0 53 -4,-2.0 4,-1.8 2,-0.2 -2,-0.2 0.893 112.1 49.5 -57.9 -43.7 -15.4 -86.3 -100.9 486 326 B A H X S+ 0 0 48 -4,-1.7 4,-2.3 2,-0.2 -1,-0.2 0.862 109.7 50.9 -68.6 -35.7 -12.5 -88.4 -102.2 487 327 B A H X S+ 0 0 0 -4,-1.8 4,-2.1 1,-0.2 -1,-0.2 0.888 108.5 53.7 -67.1 -35.9 -11.2 -85.5 -104.3 488 328 B A H X S+ 0 0 0 -4,-2.1 4,-1.6 1,-0.2 -2,-0.2 0.876 110.7 45.2 -66.4 -36.6 -11.4 -83.3 -101.3 489 329 B R H X S+ 0 0 145 -4,-1.8 4,-1.6 2,-0.2 -2,-0.2 0.860 110.3 53.3 -75.7 -37.8 -9.3 -85.7 -99.2 490 330 B L H < S+ 0 0 41 -4,-2.3 4,-0.5 1,-0.2 -2,-0.2 0.934 113.1 45.4 -58.1 -45.9 -6.7 -86.2 -102.0 491 331 B L H >< S+ 0 0 1 -4,-2.1 3,-0.6 1,-0.2 -2,-0.2 0.837 110.3 53.5 -65.5 -35.2 -6.4 -82.4 -102.1 492 332 B A H 3< S+ 0 0 54 -4,-1.6 -1,-0.2 1,-0.2 -2,-0.2 0.796 106.2 52.8 -72.6 -28.0 -6.2 -82.0 -98.3 493 333 B A T 3< S+ 0 0 92 -4,-1.6 -1,-0.2 -3,-0.1 -2,-0.2 0.560 88.7 105.3 -82.4 -10.4 -3.3 -84.5 -98.1 494 334 B W S < S- 0 0 23 -3,-0.6 8,-0.0 -4,-0.5 -3,-0.0 -0.488 70.3-139.4 -76.7 140.6 -1.3 -82.6 -100.7 495 335 B D - 0 0 94 -2,-0.2 -1,-0.1 2,-0.1 3,-0.1 0.390 42.8-117.9 -80.3 3.4 1.7 -80.5 -99.6 496 336 B R S S+ 0 0 62 1,-0.3 -34,-3.0 -5,-0.1 2,-0.3 0.716 73.1 127.3 67.0 26.5 0.6 -77.8 -102.1 497 337 B E B -A 461 0J 49 -36,-0.2 2,-1.7 -35,-0.1 -1,-0.3 -0.880 66.4-125.2-111.6 144.3 3.8 -78.1 -104.2 498 338 B F + 0 0 0 -38,-2.4 89,-2.5 -2,-0.3 2,-0.2 -0.526 53.7 155.5 -85.4 69.5 4.0 -78.7 -107.9 499 339 B T > - 0 0 31 -2,-1.7 3,-1.2 87,-0.2 71,-0.3 -0.611 57.0-114.7 -90.8 156.1 6.3 -81.8 -107.6 500 340 B S T 3 S+ 0 0 46 1,-0.2 71,-2.8 -2,-0.2 72,-0.3 0.879 115.9 53.3 -47.0 -44.6 6.6 -84.5 -110.2 501 341 B D T 3 S+ 0 0 126 69,-0.2 2,-0.4 68,-0.2 -1,-0.2 0.423 78.8 126.3 -82.3 4.5 5.2 -87.0 -107.7 502 342 B S < - 0 0 6 -3,-1.2 68,-2.2 1,-0.2 4,-0.3 -0.483 34.8-177.9 -72.7 120.9 2.0 -85.0 -106.9 503 343 B R S S+ 0 0 130 -2,-0.4 4,-0.2 66,-0.2 -1,-0.2 0.579 83.5 47.3 -89.0 -12.9 -1.2 -87.0 -107.3 504 344 B A S > S+ 0 0 4 -14,-0.1 4,-1.9 63,-0.1 -1,-0.1 0.602 87.7 81.6-101.3 -17.4 -3.4 -83.9 -106.5 505 345 B A H > S+ 0 0 0 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.887 89.6 50.4 -65.1 -43.9 -1.9 -81.0 -108.6 506 346 B L H > S+ 0 0 4 62,-0.4 4,-2.4 -4,-0.3 -1,-0.2 0.945 111.3 49.0 -61.2 -49.2 -3.6 -81.6 -111.9 507 347 B L H > S+ 0 0 0 59,-0.3 4,-2.0 -4,-0.2 -1,-0.2 0.884 110.2 53.0 -54.8 -42.6 -7.0 -81.9 -110.3 508 348 B F H X S+ 0 0 0 -4,-1.9 4,-2.5 2,-0.2 -2,-0.2 0.939 106.6 51.5 -60.3 -46.4 -6.2 -78.6 -108.5 509 349 B E H X S+ 0 0 0 -4,-2.6 4,-2.3 1,-0.2 -2,-0.2 0.933 109.3 51.8 -53.8 -46.6 -5.3 -76.8 -111.8 510 350 B E H X S+ 0 0 1 -4,-2.4 4,-0.8 1,-0.2 -1,-0.2 0.861 110.2 47.0 -63.9 -38.0 -8.6 -78.0 -113.2 511 351 B W H >X S+ 0 0 0 -4,-2.0 4,-2.4 1,-0.2 3,-0.5 0.895 112.3 51.2 -65.4 -39.3 -10.6 -76.7 -110.3 512 352 B A H 3X S+ 0 0 0 -4,-2.5 4,-2.5 1,-0.2 -2,-0.2 0.807 98.6 65.4 -73.4 -30.0 -8.7 -73.4 -110.5 513 353 B R H 3< S+ 0 0 13 -4,-2.3 4,-0.4 -5,-0.2 -1,-0.2 0.858 113.5 33.1 -53.4 -39.6 -9.4 -73.0 -114.2 514 354 B L H << S+ 0 0 54 -4,-0.8 -2,-0.2 -3,-0.5 -1,-0.2 0.840 118.3 51.5 -88.6 -36.8 -13.1 -72.7 -113.3 515 355 B F H < S+ 0 0 15 -4,-2.4 10,-0.4 1,-0.2 -2,-0.2 0.827 132.6 15.1 -69.0 -29.1 -12.7 -70.9 -110.0 516 356 B A S <>S- 0 0 3 -4,-2.5 6,-2.5 1,-0.3 5,-0.5 0.155 113.0-104.3-132.8 18.1 -10.4 -68.2 -111.6 517 357 B G T > 5 - 0 0 31 -4,-0.4 3,-1.7 3,-0.2 -1,-0.3 0.096 50.6 -62.6 74.4 167.0 -10.9 -68.6 -115.4 518 358 B Q T 3 5S+ 0 0 129 1,-0.3 -1,-0.2 2,-0.1 -4,-0.1 0.743 137.7 49.9 -60.5 -25.8 -8.5 -70.2 -118.0 519 359 B N T 3 5S- 0 0 102 -3,-0.2 -1,-0.3 -6,-0.1 72,-0.2 0.546 103.6-131.0 -85.0 -10.6 -5.8 -67.6 -117.2 520 360 B F T < 5S+ 0 0 8 -3,-1.7 -3,-0.2 -4,-0.2 -2,-0.1 0.653 81.6 107.0 64.3 21.2 -6.1 -68.2 -113.4 521 361 B A < + 0 0 43 -5,-0.5 -4,-0.2 -89,-0.1 -1,-0.1 0.532 38.6 122.3-105.1 -6.9 -6.3 -64.4 -113.0 522 362 B G - 0 0 29 -6,-2.5 3,-0.1 1,-0.1 -5,-0.0 -0.345 37.5-173.4 -64.9 134.8 -10.0 -64.0 -112.1 523 363 B Q > + 0 0 72 1,-0.1 3,-1.2 2,-0.1 -1,-0.1 0.448 60.8 90.3-103.7 -7.5 -10.6 -62.3 -108.7 524 364 B A T 3 S+ 0 0 82 1,-0.3 -1,-0.1 5,-0.0 -8,-0.1 0.740 79.3 59.8 -71.9 -25.4 -14.4 -62.7 -108.4 525 365 B G T 3 S+ 0 0 13 -10,-0.4 18,-2.4 -3,-0.1 19,-0.4 0.522 84.0 101.5 -78.5 -7.4 -14.4 -66.0 -106.5 526 366 B F E < -B 542 0K 12 -3,-1.2 16,-0.3 16,-0.2 15,-0.2 -0.553 62.2-149.1 -87.0 148.1 -12.3 -64.7 -103.5 527 367 B A E S+ 0 0 52 14,-0.7 14,-0.2 13,-0.6 -1,-0.1 0.917 92.8 37.3 -76.3 -48.2 -13.9 -63.8 -100.2 528 368 B T E S-B 540 0K 68 12,-3.0 12,-2.4 13,-0.1 -1,-0.2 -0.947 89.8-139.3-108.6 121.3 -11.4 -61.1 -99.4 529 369 B P - 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0 0 22 -666,-1.3 2,-0.3 -2,-0.3 -666,-0.3 -0.874 19.7-156.1-133.6 170.2 38.0 -66.1 -138.5 679 519 B N - 0 0 103 -2,-0.3 2,-0.5 -668,-0.1 -668,-0.0 -0.936 5.3-154.3-150.7 142.4 39.2 -62.8 -139.9 680 520 B F + 0 0 43 -2,-0.3 -649,-0.1 2,-0.0 -580,-0.0 -0.936 15.4 170.7-115.4 127.6 37.4 -59.7 -140.8 681 521 B K 0 0 161 -2,-0.5 -2,-0.0 -650,-0.0 0, 0.0 -0.928 360.0 360.0-132.5 112.7 38.4 -57.1 -143.5 682 522 B P 0 0 154 0, 0.0 -582,-0.0 0, 0.0 -586,-0.0 -0.164 360.0 360.0 -63.9 360.0 35.7 -54.5 -144.3