==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=22-MAR-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 09-MAR-09 3GJN . COMPND 2 MOLECULE: COLICIN-E9 IMMUNITY PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR O.DYM,D.S.TAWFIK . 401 6 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 19964.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 276 68.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 16 4.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 26 6.5 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 . 2 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 2 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 1 0.2 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 3.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 68 17.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 136 33.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 1.5 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 0 0 2 4 0 0 2 1 0 3 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 8 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 . 5 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 0 ANTIPARALLEL BRIDGES PER LADDER . 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 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 1004 A K 0 0 170 0, 0.0 3,-0.0 0, 0.0 6,-0.0 0.000 360.0 360.0 360.0 27.9 -3.0 15.0 7.3 2 1005 A H - 0 0 172 1,-0.1 2,-0.2 2,-0.0 3,-0.0 0.804 360.0 -4.8 -86.8 -38.1 -3.7 14.9 3.6 3 1006 A S S > S- 0 0 40 1,-0.0 3,-1.8 38,-0.0 37,-0.1 -0.867 79.2 -94.7-143.2 173.1 -0.6 16.1 1.6 4 1007 A I G > S+ 0 0 2 36,-0.5 3,-4.5 1,-0.3 77,-0.5 0.914 119.5 73.9 -60.6 -34.6 2.8 17.6 2.7 5 1008 A S G 3 S+ 0 0 38 1,-0.3 -1,-0.3 75,-0.2 74,-0.1 0.589 88.4 58.8 -53.6 -14.9 1.1 21.0 2.2 6 1009 A D G < S+ 0 0 71 -3,-1.8 2,-0.4 74,-0.1 -1,-0.3 0.318 97.1 86.6 -94.1 6.6 -0.8 20.4 5.4 7 1010 A Y < - 0 0 30 -3,-4.5 74,-2.7 72,-0.2 2,-0.3 -0.878 68.1-146.7-101.2 138.7 2.6 20.1 7.2 8 1011 A T B > -a 81 0A 30 -2,-0.4 4,-3.2 72,-0.2 5,-0.3 -0.718 32.7-115.7 -80.2 152.3 4.7 22.8 8.7 9 1012 A E H > S+ 0 0 74 72,-0.6 4,-2.9 -2,-0.3 5,-0.3 0.957 119.2 53.5 -52.0 -50.7 8.3 22.1 8.3 10 1013 A A H > S+ 0 0 79 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.916 112.3 46.9 -54.7 -39.0 8.6 21.9 12.1 11 1014 A E H > S+ 0 0 88 2,-0.2 4,-1.8 1,-0.2 3,-0.3 0.926 111.0 48.0 -66.2 -52.5 5.8 19.3 12.0 12 1015 A F H X S+ 0 0 0 -4,-3.2 4,-2.3 1,-0.2 -1,-0.2 0.830 109.1 56.4 -63.5 -32.0 7.1 17.2 9.2 13 1016 A L H X S+ 0 0 48 -4,-2.9 4,-1.5 -5,-0.3 -1,-0.2 0.842 105.5 50.5 -62.4 -39.8 10.5 17.1 10.9 14 1017 A Q H X S+ 0 0 127 -4,-1.4 4,-2.3 -3,-0.3 5,-0.2 0.857 107.9 53.8 -66.0 -36.9 8.9 15.7 14.0 15 1018 A L H X S+ 0 0 17 -4,-1.8 4,-2.3 1,-0.2 -2,-0.2 0.978 112.9 42.6 -58.6 -50.7 7.3 13.1 11.8 16 1019 A V H X S+ 0 0 0 -4,-2.3 4,-1.7 1,-0.2 -2,-0.2 0.741 111.2 55.9 -70.8 -20.0 10.8 12.2 10.4 17 1020 A T H < S+ 0 0 49 -4,-1.5 -1,-0.2 2,-0.2 -2,-0.2 0.906 109.0 46.1 -82.4 -37.0 12.4 12.3 13.9 18 1021 A T H >< S+ 0 0 43 -4,-2.3 3,-2.4 -3,-0.2 6,-0.2 0.974 110.4 54.0 -61.5 -58.9 9.8 9.8 15.2 19 1022 A I H 3< S+ 0 0 2 -4,-2.3 2,-0.3 1,-0.3 -2,-0.2 0.904 108.8 48.6 -37.1 -71.3 10.4 7.5 12.2 20 1023 A C T 3< S+ 0 0 6 -4,-1.7 2,-0.6 1,-0.1 -1,-0.3 0.252 95.3 83.6 -58.8 7.8 14.2 7.4 12.7 21 1024 A D X> - 0 0 57 -3,-2.4 3,-2.3 -2,-0.3 4,-0.6 -0.807 62.7-164.1-114.5 94.6 13.9 6.6 16.4 22 1025 A A B 34 S+b 25 0B 6 -2,-0.6 4,-0.1 1,-0.3 -2,-0.0 -0.507 84.8 52.2 -65.6 146.6 13.5 2.9 17.0 23 1026 A E T 34 S+ 0 0 142 2,-0.6 -1,-0.3 -2,-0.1 3,-0.0 -0.169 99.3 68.7 105.4 -38.3 12.3 2.9 20.5 24 1027 A A T <4 S+ 0 0 46 -3,-2.3 2,-0.4 -6,-0.2 -2,-0.2 0.704 97.1 48.8 -92.9 -21.7 9.6 5.4 19.7 25 1028 A T B < -b 22 0B 5 -4,-0.6 -2,-0.6 -7,-0.2 -1,-0.1 -0.950 67.9-137.5-120.9 140.3 7.4 3.3 17.5 26 1029 A S > - 0 0 50 -2,-0.4 4,-1.7 -4,-0.1 -2,-0.0 -0.254 42.4-107.6 -61.8 175.7 5.8 -0.1 17.8 27 1030 A E H > S+ 0 0 68 2,-0.2 4,-2.2 1,-0.1 5,-0.1 0.810 120.3 52.3 -84.2 -35.0 6.2 -1.9 14.4 28 1031 A E H > S+ 0 0 166 2,-0.2 4,-1.3 1,-0.2 -1,-0.1 0.915 112.1 47.6 -70.1 -34.2 2.5 -1.7 13.4 29 1032 A E H > S+ 0 0 103 1,-0.2 4,-2.0 2,-0.2 3,-0.5 0.961 111.9 51.7 -62.6 -45.6 2.8 2.1 14.2 30 1033 A L H X S+ 0 0 5 -4,-1.7 4,-3.4 1,-0.3 5,-0.2 0.857 101.8 59.3 -58.5 -40.7 6.1 2.3 12.1 31 1034 A D H X S+ 0 0 38 -4,-2.2 4,-1.6 1,-0.2 -1,-0.3 0.893 110.9 42.4 -56.5 -44.3 4.5 0.6 9.1 32 1035 A K H X S+ 0 0 134 -4,-1.3 4,-2.4 -3,-0.5 -1,-0.2 0.876 112.3 49.8 -82.4 -34.2 1.9 3.3 8.9 33 1036 A L H X S+ 0 0 36 -4,-2.0 4,-2.9 1,-0.2 -2,-0.2 0.926 113.6 49.9 -64.5 -38.6 4.3 6.3 9.5 34 1037 A I H X S+ 0 0 10 -4,-3.4 4,-1.9 -5,-0.2 -2,-0.2 0.884 111.4 46.6 -66.5 -35.5 6.5 4.9 6.8 35 1038 A T H X S+ 0 0 70 -4,-1.6 4,-1.7 -5,-0.2 3,-0.3 0.990 114.4 48.8 -69.9 -57.1 3.6 4.5 4.3 36 1039 A H H X S+ 0 0 23 -4,-2.4 4,-3.1 1,-0.2 5,-0.3 0.865 107.2 55.4 -35.7 -56.2 2.5 8.0 5.1 37 1040 A F H X S+ 0 0 0 -4,-2.9 4,-2.6 1,-0.3 5,-0.3 0.913 109.8 45.6 -52.7 -53.4 6.0 9.3 4.6 38 1041 A E H X S+ 0 0 60 -4,-1.9 4,-2.3 -3,-0.3 -1,-0.3 0.847 113.9 49.9 -51.5 -38.4 6.3 7.9 1.1 39 1042 A E H < S+ 0 0 116 -4,-1.7 -2,-0.2 2,-0.2 -1,-0.2 0.905 113.5 44.2 -79.4 -38.8 2.9 9.1 0.2 40 1043 A M H < S+ 0 0 8 -4,-3.1 -36,-0.5 -5,-0.2 -2,-0.2 0.904 120.9 39.6 -66.0 -41.8 3.5 12.7 1.5 41 1044 A T H < S- 0 0 1 -4,-2.6 -2,-0.2 -5,-0.3 -1,-0.2 0.800 82.4-158.5 -84.4 -34.5 6.9 12.9 -0.1 42 1045 A E < + 0 0 96 -4,-2.3 -3,-0.1 -5,-0.3 -4,-0.1 0.764 36.5 157.4 51.9 23.2 6.0 11.1 -3.4 43 1046 A H > - 0 0 29 -5,-0.2 3,-1.6 1,-0.1 -1,-0.2 -0.653 49.6-134.4 -66.2 134.3 9.7 10.6 -3.6 44 1047 A P T 3 S+ 0 0 106 0, 0.0 -1,-0.1 0, 0.0 4,-0.1 0.747 104.6 60.1 -73.7 -18.8 10.6 7.6 -5.9 45 1048 A S T >> S+ 0 0 38 1,-0.2 3,-2.2 2,-0.1 4,-0.6 0.496 80.9 178.7 -71.8 -3.6 13.1 6.3 -3.2 46 1049 A G T X4 S- 0 0 3 -3,-1.6 3,-1.6 1,-0.2 4,-0.2 -0.014 70.7 -6.0 31.1-124.9 10.2 6.0 -0.6 47 1050 A S T >> S+ 0 0 10 1,-0.3 4,-2.2 2,-0.2 3,-1.6 0.605 119.1 83.7 -79.9 -10.2 11.8 4.6 2.7 48 1051 A D H <> S+ 0 0 23 -3,-2.2 4,-2.1 1,-0.3 -1,-0.3 0.877 81.4 65.6 -49.5 -38.9 15.1 4.0 1.1 49 1052 A L H << S+ 0 0 21 -3,-1.6 -1,-0.3 -4,-0.6 -2,-0.2 0.795 110.7 35.7 -54.1 -30.3 15.7 7.7 1.8 50 1053 A I H <4 S+ 0 0 0 -3,-1.6 98,-0.3 -4,-0.2 -2,-0.2 0.894 134.1 18.2 -94.0 -46.5 15.6 6.7 5.5 51 1054 A Y H < S+ 0 0 3 -4,-2.2 95,-0.6 1,-0.2 98,-0.3 0.675 128.0 39.6-105.7 -24.1 17.2 3.3 5.7 52 1055 A W S < S+ 0 0 42 -4,-2.1 -1,-0.2 -5,-0.4 -2,-0.1 -0.387 76.2 168.6-127.5 62.0 19.2 2.9 2.4 53 1056 A P - 0 0 36 0, 0.0 2,-0.1 0, 0.0 3,-0.1 -0.294 40.3-105.6 -81.4 150.6 20.8 6.2 1.7 54 1057 A K > - 0 0 160 1,-0.1 3,-1.4 2,-0.1 5,-0.1 -0.424 56.3 -83.8 -63.6 148.4 23.5 6.9 -0.9 55 1058 A E T 3 S+ 0 0 193 1,-0.3 -1,-0.1 -2,-0.1 3,-0.1 -0.286 116.0 18.0 -67.1 139.4 26.9 7.5 0.8 56 1059 A G T 3 S+ 0 0 76 1,-0.3 2,-0.4 -3,-0.1 -1,-0.3 0.778 89.1 133.2 67.8 25.5 27.4 11.0 2.0 57 1060 A D < - 0 0 64 -3,-1.4 2,-1.3 2,-0.0 -1,-0.3 -0.807 69.5-111.7 -91.5 144.4 23.7 11.8 1.9 58 1061 A D - 0 0 52 -2,-0.4 9,-0.2 5,-0.2 8,-0.2 -0.667 38.4-178.1 -88.4 108.1 22.8 13.5 5.1 59 1062 A D + 0 0 20 -2,-1.3 -1,-0.2 4,-0.1 3,-0.0 0.072 40.6 113.5 -94.1 28.7 20.6 10.8 6.7 60 1063 A S S > S- 0 0 1 1,-0.1 4,-2.5 87,-0.0 5,-0.2 -0.536 85.8 -99.9 -85.2 161.1 19.6 12.7 9.9 61 1064 A P H >> S+ 0 0 15 0, 0.0 4,-2.8 0, 0.0 3,-0.7 0.943 127.2 43.7 -42.1 -64.1 16.0 13.7 10.3 62 1065 A S H 3> S+ 0 0 48 1,-0.3 4,-1.6 2,-0.2 5,-0.1 0.805 113.8 53.6 -52.6 -36.3 16.7 17.3 9.2 63 1066 A G H 3> S+ 0 0 4 2,-0.2 4,-2.0 3,-0.2 -1,-0.3 0.822 109.9 45.6 -71.1 -29.4 18.8 15.9 6.4 64 1067 A I H <>S+ 0 0 9 -4,-2.9 5,-2.8 1,-0.2 3,-0.7 0.912 112.7 44.0 -61.3 -48.6 10.0 18.7 -4.3 73 1076 A A H ><5S+ 0 0 75 -4,-1.8 3,-1.4 -5,-0.3 -1,-0.2 0.834 111.5 56.5 -64.5 -30.9 10.8 22.4 -5.0 74 1077 A A H 3<5S+ 0 0 81 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.740 110.1 44.6 -72.2 -22.1 13.1 21.3 -7.8 75 1078 A N T <<5S- 0 0 87 -4,-0.9 -1,-0.3 -3,-0.7 -2,-0.2 0.037 114.3-117.0-111.0 20.0 10.2 19.4 -9.4 76 1079 A G T < 5 + 0 0 70 -3,-1.4 -3,-0.2 1,-0.1 2,-0.2 0.709 68.0 140.8 42.6 29.0 7.8 22.3 -8.9 77 1080 A K < - 0 0 94 -5,-2.8 -1,-0.1 -6,-0.2 -2,-0.1 -0.508 60.7 -80.1 -83.9 169.3 5.6 20.2 -6.6 78 1081 A S - 0 0 65 -2,-0.2 -1,-0.1 -3,-0.1 2,-0.1 -0.190 43.9-151.1 -70.2 162.9 4.1 22.0 -3.4 79 1082 A G - 0 0 46 1,-0.2 -72,-0.2 -74,-0.1 -1,-0.1 -0.316 34.4 -51.2-119.4-161.7 6.0 22.7 -0.1 80 1083 A F - 0 0 39 -2,-0.1 -72,-0.2 1,-0.1 -1,-0.2 -0.383 59.1 -90.0 -80.1 159.6 5.1 23.1 3.5 81 1084 A K B a 8 0A 91 -74,-2.7 -72,-0.6 -77,-0.5 -1,-0.1 -0.408 360.0 360.0 -55.3 136.1 2.5 25.2 5.2 82 1085 A Q 0 0 202 -74,-0.1 -1,-0.1 -2,-0.1 -74,-0.1 -0.829 360.0 360.0 91.7 360.0 4.1 28.6 6.0 83 !* 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 84 452 B K 0 0 152 0, 0.0 2,-0.3 0, 0.0 33,-0.1 0.000 360.0 360.0 360.0 145.9 20.4 -22.4 23.0 85 453 B A + 0 0 4 31,-0.4 2,-0.3 28,-0.1 98,-0.2 -0.766 360.0 175.1-118.7 144.0 22.1 -21.8 19.7 86 454 B T B +c 183 0C 78 96,-2.8 98,-3.5 -2,-0.3 99,-0.2 -0.914 21.9 89.1-136.0 173.6 24.7 -23.8 17.7 87 455 B G - 0 0 12 -2,-0.3 30,-0.2 96,-0.2 -2,-0.0 -0.382 60.2-112.8 125.4 161.3 26.5 -23.8 14.5 88 456 B K - 0 0 161 -2,-0.1 26,-0.3 1,-0.1 25,-0.2 0.632 44.8-162.8 -93.0 -20.5 29.6 -22.5 12.8 89 457 B G - 0 0 12 24,-0.1 -1,-0.1 -3,-0.1 21,-0.1 -0.053 27.6 -83.8 49.1-165.4 27.8 -20.3 10.4 90 458 B K B -d 109 0D 127 18,-2.8 20,-2.6 0, 0.0 21,-0.2 -0.854 33.7-100.1-124.4 161.3 29.9 -19.1 7.4 91 459 B P - 0 0 103 0, 0.0 2,-0.3 0, 0.0 -2,-0.0 -0.629 43.8-152.6 -77.6 149.4 32.4 -16.4 6.6 92 460 B V - 0 0 35 -2,-0.2 2,-0.1 14,-0.0 4,-0.1 -0.792 10.9-125.4-125.4 160.1 31.0 -13.3 4.7 93 461 B N > - 0 0 96 -2,-0.3 3,-0.9 2,-0.1 4,-0.1 -0.422 41.8 -98.3 -97.4 179.7 32.0 -10.5 2.3 94 462 B N T 3 S+ 0 0 99 1,-0.3 3,-0.1 -2,-0.1 -1,-0.1 0.445 126.4 55.1 -88.2 7.0 31.5 -6.8 2.9 95 463 B K T > S+ 0 0 134 1,-0.1 3,-1.1 2,-0.0 -1,-0.3 -0.425 73.1 153.3-118.9 55.0 28.4 -7.1 0.7 96 464 B W G X + 0 0 6 -3,-0.9 3,-0.8 1,-0.2 -2,-0.1 0.822 67.2 46.5 -48.3 -52.7 26.8 -9.9 2.9 97 465 B L G > S+ 0 0 18 1,-0.2 3,-2.8 2,-0.1 -1,-0.2 0.574 82.8 92.7 -75.3 -7.8 23.1 -9.3 2.2 98 466 B N G < S+ 0 0 116 -3,-1.1 3,-0.4 1,-0.3 -1,-0.2 0.772 87.3 54.2 -52.3 -21.2 23.5 -8.9 -1.6 99 467 B N G X S+ 0 0 76 -3,-0.8 3,-1.1 -4,-0.2 6,-0.3 0.380 80.3 99.4 -93.8 -0.2 22.7 -12.6 -1.7 100 468 B A T < S+ 0 0 1 -3,-2.8 91,-2.7 1,-0.3 -1,-0.2 0.460 73.7 57.1 -81.7 -0.2 19.5 -12.3 0.3 101 469 B G T 3 S+ 0 0 46 -3,-0.4 2,-0.3 89,-0.2 -1,-0.3 0.001 101.7 59.9-113.6 24.0 17.0 -12.4 -2.6 102 470 B K S X S- 0 0 88 -3,-1.1 3,-2.8 0, 0.0 92,-0.0 -0.995 101.1 -21.1-150.6 151.5 18.0 -15.7 -4.1 103 471 B D T 3 S- 0 0 108 -2,-0.3 3,-0.1 1,-0.3 95,-0.1 -0.199 125.3 -24.3 49.0-129.3 18.2 -19.4 -3.2 104 472 B L T 3 S- 0 0 82 1,-0.3 2,-0.3 -3,-0.0 -1,-0.3 0.254 95.6-134.4-103.4 14.5 18.4 -19.7 0.5 105 473 B G < - 0 0 12 -3,-2.8 -1,-0.3 -6,-0.3 85,-0.2 -0.555 49.7 -10.0 86.7-134.9 19.7 -16.3 1.0 106 474 B S E -E 189 0E 0 83,-2.4 83,-2.4 -2,-0.3 -9,-0.1 -0.917 64.4-123.4-117.9 130.3 22.6 -15.2 3.3 107 475 B P E -E 188 0E 34 0, 0.0 81,-0.2 0, 0.0 78,-0.1 -0.256 34.5 -96.1 -63.9 156.3 24.3 -17.4 5.9 108 476 B V - 0 0 1 79,-1.0 -18,-2.8 76,-0.5 2,-0.1 -0.644 54.7-110.3 -56.3 126.5 24.5 -16.5 9.5 109 477 B P B > -d 90 0D 0 0, 0.0 4,-2.1 0, 0.0 3,-0.4 -0.387 18.7-123.7 -58.5 141.4 28.1 -14.9 9.7 110 478 B D H > S+ 0 0 47 -20,-2.6 4,-3.1 1,-0.2 5,-0.1 0.874 111.4 51.6 -53.4 -41.7 30.9 -17.0 11.6 111 479 B R H > S+ 0 0 72 -21,-0.2 4,-1.4 1,-0.2 -1,-0.2 0.835 109.0 47.9 -69.4 -35.0 31.6 -14.2 13.8 112 480 B I H > S+ 0 0 0 -3,-0.4 4,-2.0 2,-0.2 -1,-0.2 0.832 111.0 54.4 -70.8 -35.3 28.0 -13.7 14.8 113 481 B A H >X S+ 0 0 0 -4,-2.1 4,-2.6 2,-0.2 3,-0.6 0.991 104.2 52.9 -59.2 -61.8 27.8 -17.5 15.3 114 482 B N H 3< S+ 0 0 26 -4,-3.1 4,-0.2 -26,-0.3 272,-0.2 0.855 113.0 46.2 -26.6 -55.4 30.8 -17.3 17.7 115 483 B K H 3< S+ 0 0 8 -4,-1.4 3,-0.4 1,-0.2 -1,-0.2 0.833 113.2 48.1 -68.4 -34.6 28.9 -14.6 19.7 116 484 B L H X< S+ 0 0 0 -4,-2.0 3,-1.7 -3,-0.6 4,-0.5 0.817 98.3 60.4 -87.4 -35.1 25.6 -16.4 19.9 117 485 B R T 3< S+ 0 0 86 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.1 0.531 99.8 63.0 -74.6 -1.0 26.4 -19.9 21.0 118 486 B D T 3 S+ 0 0 35 -3,-0.4 -1,-0.3 -5,-0.3 -2,-0.1 -0.073 101.0 69.2 -87.8 25.1 27.8 -18.0 24.1 119 487 B K S < S- 0 0 70 -3,-1.7 -2,-0.2 -34,-0.1 -3,-0.1 0.891 71.1-144.9-119.3 -48.9 24.1 -16.9 24.7 120 488 B E - 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M 0 296K 0 -15,-3.1 -15,-2.9 -2,-0.5 -88,-0.2 -0.978 38.9-105.5-146.4 150.0 41.1 12.1 23.6 312 565 C T > - 0 0 5 -90,-3.0 4,-3.1 -2,-0.3 5,-0.3 -0.468 43.4-110.5 -65.0 149.9 42.9 9.3 25.6 313 566 C P H > S+ 0 0 0 0, 0.0 4,-1.5 0, 0.0 -25,-0.1 0.806 118.5 52.1 -53.5 -33.0 43.0 9.8 29.4 314 567 C K H > S+ 0 0 98 -27,-1.0 4,-1.9 2,-0.2 5,-0.1 0.920 113.3 43.8 -74.3 -40.6 46.8 10.6 29.4 315 568 C R H > S+ 0 0 41 2,-0.2 4,-2.2 1,-0.2 5,-0.2 0.923 110.2 53.3 -65.3 -45.8 46.4 13.2 26.7 316 569 C H H X S+ 0 0 20 -4,-3.1 4,-1.8 1,-0.2 -1,-0.2 0.923 109.0 54.6 -52.7 -40.7 43.4 14.8 28.3 317 570 C I H X S+ 0 0 36 -4,-1.5 4,-1.6 -5,-0.3 -2,-0.2 0.951 108.0 45.2 -59.0 -54.2 45.6 15.0 31.5 318 571 C D H <>S+ 0 0 49 -4,-1.9 5,-2.5 1,-0.2 3,-0.3 0.897 108.9 57.2 -55.8 -45.1 48.5 16.9 29.9 319 572 C I H ><5S+ 0 0 28 -4,-2.2 3,-1.3 1,-0.3 -1,-0.2 0.896 108.3 47.0 -60.5 -43.1 46.1 19.3 28.1 320 573 C H H 3<5S+ 0 0 128 -4,-1.8 -1,-0.3 1,-0.3 -2,-0.2 0.806 112.6 48.2 -73.0 -26.2 44.7 20.3 31.4 321 574 C R T 3<5S- 0 0 158 -4,-1.6 -1,-0.3 -3,-0.3 -2,-0.2 0.072 122.2-104.5-100.7 27.3 48.1 20.7 33.0 322 575 C G T < 5 0 0 75 -3,-1.3 -3,-0.2 1,-0.2 -4,-0.1 0.424 360.0 360.0 79.4 4.0 49.3 22.8 30.1 323 576 C K < 0 0 161 -5,-2.5 -1,-0.2 -6,-0.2 -2,-0.0 -0.106 360.0 360.0-100.7 360.0 51.5 20.1 28.4 324 !* 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 325 1004 D K 0 0 196 0, 0.0 3,-0.0 0, 0.0 6,-0.0 0.000 360.0 360.0 360.0 28.4 40.7 -16.4 43.7 326 1005 D H - 0 0 163 1,-0.1 2,-0.3 2,-0.0 3,-0.0 0.875 360.0 -8.8 -86.6 -47.5 44.6 -16.5 43.3 327 1006 D S S > S- 0 0 29 1,-0.0 3,-2.4 38,-0.0 37,-0.1 -0.859 79.1 -92.1-134.6 173.9 45.9 -17.6 39.8 328 1007 D I G > S+ 0 0 0 36,-0.6 3,-4.7 1,-0.3 77,-0.5 0.852 121.3 76.9 -51.9 -34.6 43.9 -19.0 36.7 329 1008 D S G 3 S+ 0 0 35 1,-0.3 -1,-0.3 75,-0.2 74,-0.1 0.584 87.2 58.2 -57.1 -13.7 44.8 -22.4 38.3 330 1009 D D G < S+ 0 0 68 -3,-2.4 2,-0.5 74,-0.1 -1,-0.3 0.364 97.7 81.1 -92.9 2.1 42.0 -21.6 40.8 331 1010 D Y < - 0 0 34 -3,-4.7 74,-2.0 72,-0.1 2,-0.3 -0.893 69.9-145.6-100.9 138.7 39.6 -21.4 37.8 332 1011 D T B > -p 405 0N 28 -2,-0.5 4,-2.8 72,-0.2 3,-0.3 -0.719 36.8-110.1 -76.5 147.5 37.9 -24.2 36.1 333 1012 D E H > S+ 0 0 72 72,-0.6 4,-3.0 -2,-0.3 5,-0.2 0.918 120.8 52.5 -43.5 -49.4 37.6 -23.4 32.4 334 1013 D A H > S+ 0 0 77 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.915 110.2 48.7 -58.2 -41.3 33.7 -23.1 32.8 335 1014 D E H > S+ 0 0 86 -3,-0.3 4,-2.0 2,-0.2 -2,-0.2 0.964 112.6 46.3 -61.4 -53.0 34.3 -20.6 35.7 336 1015 D F H X S+ 0 0 0 -4,-2.8 4,-2.7 1,-0.2 5,-0.2 0.874 109.4 57.5 -60.7 -37.9 36.8 -18.5 33.7 337 1016 D L H X S+ 0 0 48 -4,-3.0 4,-2.5 -5,-0.3 -1,-0.2 0.956 105.9 47.8 -49.7 -55.8 34.4 -18.6 30.8 338 1017 D Q H X S+ 0 0 134 -4,-2.1 4,-1.8 1,-0.2 -2,-0.2 0.881 108.6 55.9 -60.2 -38.4 31.7 -17.0 32.9 339 1018 D L H X S+ 0 0 18 -4,-2.0 4,-1.9 1,-0.2 3,-0.4 0.961 111.1 42.2 -54.8 -54.3 34.1 -14.4 34.1 340 1019 D V H X S+ 0 0 0 -4,-2.7 4,-2.6 1,-0.2 -2,-0.2 0.826 110.1 59.1 -57.3 -35.7 34.9 -13.4 30.4 341 1020 D T H < S+ 0 0 47 -4,-2.5 -1,-0.2 -5,-0.2 4,-0.2 0.866 107.4 46.4 -68.3 -34.9 31.2 -13.6 29.5 342 1021 D T H >< S+ 0 0 44 -4,-1.8 3,-2.2 -3,-0.4 6,-0.3 0.970 109.9 51.6 -72.2 -52.5 30.4 -11.0 32.1 343 1022 D I H 3< S+ 0 0 3 -4,-1.9 -2,-0.2 1,-0.3 -3,-0.1 0.932 109.4 53.6 -41.3 -57.3 33.3 -8.6 31.1 344 1023 D C T 3< S+ 0 0 7 -4,-2.6 2,-0.7 1,-0.1 -1,-0.3 0.470 94.1 78.0 -63.4 -5.7 32.0 -8.8 27.5 345 1024 D D X> - 0 0 64 -3,-2.2 3,-2.1 -4,-0.2 4,-0.6 -0.848 66.6-160.0-109.5 98.1 28.4 -7.8 28.4 346 1025 D A B 34 S+q 349 0O 6 -2,-0.7 4,-0.1 1,-0.3 -2,-0.0 -0.447 85.8 50.0 -62.6 151.5 28.2 -4.0 29.0 347 1026 D E T 34 S+ 0 0 122 2,-0.7 -1,-0.3 -70,-0.1 3,-0.1 0.063 95.7 72.1 96.7 -29.9 25.0 -3.9 30.9 348 1027 D A T <4 S+ 0 0 49 -3,-2.1 2,-0.4 -6,-0.3 -2,-0.2 0.732 98.9 44.7 -88.5 -23.2 26.0 -6.6 33.4 349 1028 D T B < S-q 346 0O 10 -4,-0.6 -2,-0.7 -7,-0.2 -1,-0.1 -0.922 71.3-133.5-126.0 143.6 28.6 -4.5 35.2 350 1029 D S > - 0 0 45 -2,-0.4 4,-1.2 -4,-0.1 5,-0.1 -0.157 44.1-101.9 -65.4 177.2 28.7 -1.0 36.6 351 1030 D E H > S+ 0 0 66 2,-0.2 4,-1.9 1,-0.1 -1,-0.0 0.863 121.4 51.2 -77.8 -35.0 32.0 0.8 35.7 352 1031 D E H > S+ 0 0 163 1,-0.2 4,-1.2 2,-0.2 -1,-0.1 0.933 110.3 49.3 -65.5 -42.7 33.6 0.3 39.1 353 1032 D E H > S+ 0 0 106 1,-0.2 4,-1.6 2,-0.2 3,-0.3 0.902 110.1 51.7 -60.6 -37.9 32.8 -3.4 39.0 354 1033 D L H X S+ 0 0 4 -4,-1.2 4,-2.6 1,-0.3 -1,-0.2 0.867 100.1 61.9 -73.4 -35.4 34.3 -3.7 35.5 355 1034 D D H X S+ 0 0 32 -4,-1.9 4,-1.5 1,-0.2 -1,-0.3 0.910 107.8 44.7 -51.0 -49.1 37.6 -2.0 36.4 356 1035 D K H X S+ 0 0 135 -4,-1.2 4,-3.0 -3,-0.3 -1,-0.2 0.892 112.6 48.2 -70.8 -39.3 38.3 -4.8 38.9 357 1036 D L H X S+ 0 0 41 -4,-1.6 4,-3.3 1,-0.2 -1,-0.2 0.862 112.6 52.4 -67.7 -30.0 37.3 -7.7 36.7 358 1037 D I H X S+ 0 0 12 -4,-2.6 4,-1.7 -5,-0.2 -1,-0.2 0.898 112.1 43.0 -71.7 -30.1 39.4 -6.1 34.1 359 1038 D T H X S+ 0 0 70 -4,-1.5 4,-2.4 2,-0.2 -2,-0.2 0.966 116.9 47.6 -80.6 -49.5 42.4 -5.9 36.5 360 1039 D H H X S+ 0 0 26 -4,-3.0 4,-2.6 1,-0.2 5,-0.3 0.911 108.7 55.0 -46.1 -53.9 41.7 -9.4 37.7 361 1040 D F H X S+ 0 0 0 -4,-3.3 4,-1.6 1,-0.2 -1,-0.2 0.887 109.5 47.2 -50.3 -48.8 41.4 -10.7 34.2 362 1041 D E H X S+ 0 0 56 -4,-1.7 4,-3.1 -5,-0.2 5,-0.3 0.884 113.2 48.7 -60.4 -37.9 44.9 -9.2 33.4 363 1042 D E H < S+ 0 0 114 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.823 112.1 47.1 -76.4 -34.8 46.4 -10.8 36.5 364 1043 D M H < S+ 0 0 7 -4,-2.6 -36,-0.6 -5,-0.2 -1,-0.2 0.826 121.3 37.7 -70.2 -34.4 45.0 -14.2 36.0 365 1044 D T H < S- 0 0 0 -4,-1.6 -2,-0.2 -5,-0.3 -3,-0.2 0.865 78.2-161.8 -93.4 -38.7 46.1 -14.2 32.4 366 1045 D E < + 0 0 91 -4,-3.1 -3,-0.1 1,-0.3 -4,-0.1 0.725 35.0 157.5 57.3 21.6 49.4 -12.5 32.6 367 1046 D H > - 0 0 29 -5,-0.3 3,-1.8 1,-0.1 -1,-0.3 -0.637 48.4-134.0 -70.8 131.2 48.9 -12.0 28.9 368 1047 D P T 3 S+ 0 0 110 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.758 104.7 61.0 -63.7 -19.8 51.0 -9.0 27.6 369 1048 D S T > S+ 0 0 38 1,-0.2 3,-1.8 2,-0.1 4,-0.3 0.682 82.0 179.9 -74.9 -13.0 48.0 -7.7 25.7 370 1049 D G T X - 0 0 4 -3,-1.8 3,-0.7 1,-0.3 4,-0.2 -0.243 69.3 -10.6 48.1-122.8 45.9 -7.3 28.9 371 1050 D S T >> S+ 0 0 11 1,-0.3 4,-2.2 2,-0.2 3,-1.8 0.671 120.6 82.6 -93.1 -15.3 42.5 -6.0 28.1 372 1051 D D H <> S+ 0 0 24 -3,-1.8 4,-2.7 1,-0.3 -1,-0.3 0.943 81.4 67.2 -38.3 -45.5 43.4 -5.3 24.6 373 1052 D L H <4 S+ 0 0 25 -3,-0.7 -1,-0.3 -4,-0.3 -2,-0.2 0.821 110.8 35.1 -50.8 -31.3 42.7 -8.9 24.0 374 1053 D I H <4 S+ 0 0 0 -3,-1.8 -104,-0.4 -4,-0.2 -1,-0.2 0.902 132.7 21.7 -88.2 -51.0 39.1 -8.0 24.8 375 1054 D Y H < S+ 0 0 4 -4,-2.2 -107,-0.7 1,-0.2 -104,-0.3 0.644 129.5 38.1 -97.1 -21.8 38.5 -4.5 23.3 376 1055 D W S < S+ 0 0 45 -4,-2.7 2,-0.2 -5,-0.5 -1,-0.2 -0.528 75.1 169.4-127.6 67.4 41.3 -4.3 20.7 377 1056 D P - 0 0 36 0, 0.0 2,-0.1 0, 0.0 3,-0.1 -0.542 42.8-103.9 -81.8 146.9 41.9 -7.6 18.9 378 1057 D K > - 0 0 162 -2,-0.2 3,-1.2 1,-0.1 -2,-0.0 -0.412 59.2 -88.7 -48.8 130.7 44.0 -8.4 15.8 379 1058 D E T 3 S+ 0 0 192 1,-0.2 -1,-0.1 -2,-0.1 3,-0.1 -0.147 113.9 23.9 -44.4 135.1 41.4 -8.8 12.9 380 1059 D G T 3 S+ 0 0 74 1,-0.3 2,-0.4 -3,-0.1 -1,-0.2 0.739 88.1 128.4 72.8 21.1 40.2 -12.4 12.5 381 1060 D D S < S- 0 0 69 -3,-1.2 2,-1.4 -4,-0.1 -1,-0.3 -0.893 72.3-110.2 -92.8 142.6 40.9 -13.3 16.1 382 1061 D D - 0 0 57 -2,-0.4 9,-0.2 5,-0.2 8,-0.1 -0.546 36.9-176.7 -80.2 105.8 37.9 -14.9 17.6 383 1062 D D + 0 0 19 -2,-1.4 -1,-0.2 4,-0.1 3,-0.0 0.076 40.4 118.5 -89.6 29.3 36.8 -12.2 20.1 384 1063 D S S > S- 0 0 0 1,-0.1 4,-2.6 4,-0.0 3,-0.3 -0.562 84.8-102.2 -79.6 155.3 33.8 -14.2 21.6 385 1064 D P H >> S+ 0 0 13 0, 0.0 4,-2.2 0, 0.0 3,-1.0 0.938 129.5 44.2 -38.8 -62.0 34.1 -15.0 25.4 386 1065 D S H 3> S+ 0 0 44 1,-0.3 4,-2.4 2,-0.2 5,-0.1 0.802 111.4 54.6 -53.7 -34.0 35.1 -18.6 24.4 387 1066 D G H 3> S+ 0 0 4 -3,-0.3 4,-2.2 2,-0.2 -1,-0.3 0.852 111.2 44.0 -72.0 -30.2 37.4 -17.1 21.7 388 1067 D I H <>S+ 0 0 10 -4,-2.3 5,-2.5 2,-0.2 3,-1.4 0.954 114.3 47.0 -55.4 -55.0 49.7 -20.0 28.4 397 1076 D A H ><5S+ 0 0 72 -4,-2.2 3,-1.6 -5,-0.4 -1,-0.2 0.934 110.8 54.6 -50.0 -45.3 50.0 -23.6 27.3 398 1077 D A H 3<5S+ 0 0 81 -4,-3.0 -1,-0.2 1,-0.3 -2,-0.2 0.642 111.4 44.7 -63.5 -17.9 52.3 -22.4 24.5 399 1078 D N T <<5S- 0 0 88 -3,-1.4 -1,-0.3 -4,-0.8 -2,-0.2 -0.046 116.2-109.6-118.9 25.1 54.6 -20.7 27.1 400 1079 D G T < 5S+ 0 0 73 -3,-1.6 -3,-0.2 1,-0.2 2,-0.1 0.632 70.9 140.6 57.3 20.9 54.6 -23.6 29.6 401 1080 D K < - 0 0 94 -5,-2.5 -1,-0.2 -6,-0.2 -2,-0.1 -0.481 58.6 -80.5 -91.2 167.0 52.5 -21.7 32.2 402 1081 D S - 0 0 58 -2,-0.1 2,-0.1 1,-0.1 -1,-0.1 -0.224 42.0-154.0 -71.6 154.9 49.7 -23.4 34.4 403 1082 D G - 0 0 47 1,-0.2 -72,-0.1 -74,-0.1 -1,-0.1 -0.300 35.9 -52.0-115.4-166.3 46.2 -24.1 33.0 404 1083 D F - 0 0 39 -2,-0.1 -72,-0.2 1,-0.1 -1,-0.2 -0.287 56.7 -93.6 -75.1 154.0 42.8 -24.5 34.7 405 1084 D K B p 332 0N 86 -74,-2.0 -72,-0.6 -77,-0.5 -1,-0.1 -0.358 360.0 360.0 -51.5 145.8 41.7 -26.7 37.7 406 1085 D Q 0 0 208 -74,-0.1 -1,-0.1 -3,-0.1 -74,-0.1 -0.745 360.0 360.0 92.7 360.0 40.3 -30.1 36.1