==== 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 CELL ADHESION/TOXIN 14-APR-06 2GOX . COMPND 2 MOLECULE: COMPLEMENT C3; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR M.HAMMEL,B.V.GEISBRECHT . 724 4 2 2 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 28918.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 549 75.8 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 . 12 1.7 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 6 0.8 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 . 24 3.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 99 13.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 390 53.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 14 1.9 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 0 0 0 0 1 2 1 0 5 1 4 0 5 4 1 2 0 1 1 0 0 0 0 0 0 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 . 6 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 1 991 A G 0 0 72 0, 0.0 2,-0.3 0, 0.0 292,-0.1 0.000 360.0 360.0 360.0 158.3 7.0 -23.8 8.4 2 992 A S - 0 0 33 1,-0.1 262,-0.0 261,-0.0 261,-0.0 -0.835 360.0 -71.4-123.3 164.4 4.2 -26.3 7.5 3 993 A R - 0 0 199 -2,-0.3 2,-0.2 1,-0.1 -1,-0.1 -0.245 54.1-110.4 -49.6 139.6 2.8 -28.8 9.8 4 994 A S - 0 0 37 37,-0.1 2,-0.3 1,-0.1 -1,-0.1 -0.500 39.9 -95.9 -62.1 142.9 5.0 -31.8 10.6 5 995 A T - 0 0 17 -2,-0.2 2,-0.2 1,-0.1 -1,-0.1 -0.542 55.6 -97.8 -62.5 126.6 3.9 -35.2 9.0 6 996 A D > - 0 0 83 -2,-0.3 3,-2.2 1,-0.1 4,-0.5 -0.313 21.6-136.2 -60.9 122.6 2.0 -36.9 11.8 7 997 A A G > S+ 0 0 0 1,-0.3 3,-1.7 2,-0.2 4,-0.5 0.733 101.8 65.7 -37.8 -41.9 3.9 -39.5 13.8 8 998 A E G > S+ 0 0 92 1,-0.3 3,-1.1 2,-0.2 4,-0.3 0.869 94.8 57.3 -59.2 -36.6 1.0 -42.0 13.7 9 999 A R G < S+ 0 0 67 -3,-2.2 -1,-0.3 1,-0.2 -2,-0.2 0.671 107.3 52.7 -64.4 -17.8 1.5 -42.3 9.9 10 1000 A L G X S+ 0 0 2 -3,-1.7 3,-2.4 -4,-0.5 -1,-0.2 0.496 75.3 98.5 -98.5 -5.3 5.1 -43.4 10.6 11 1001 A K G X S+ 0 0 54 -3,-1.1 3,-1.7 -4,-0.5 -1,-0.1 0.857 76.9 61.6 -54.7 -37.0 4.6 -46.3 13.2 12 1002 A H G 3 S+ 0 0 21 -4,-0.3 -1,-0.3 1,-0.3 627,-0.2 0.561 88.2 75.0 -68.2 -5.0 5.0 -48.9 10.6 13 1003 A L G < + 0 0 1 -3,-2.4 2,-1.1 17,-0.1 -1,-0.3 0.533 68.4 95.9 -84.3 -8.0 8.6 -47.7 9.8 14 1004 A I < + 0 0 22 -3,-1.7 626,-3.5 -4,-0.2 2,-0.3 -0.740 62.7 163.0 -89.1 101.1 9.9 -49.3 13.1 15 1005 A V - 0 0 39 -2,-1.1 16,-0.1 12,-0.3 -2,-0.1 -0.782 44.3-114.2-130.7 146.7 11.1 -52.5 11.6 16 1006 A T - 0 0 22 -2,-0.3 2,-0.4 371,-0.0 623,-0.1 -0.672 34.1-130.9 -78.2 133.0 13.5 -55.4 12.5 17 1007 A P + 0 0 2 0, 0.0 2,-0.3 0, 0.0 7,-0.2 -0.767 41.7 155.7 -82.6 140.4 16.5 -55.6 10.1 18 1008 A S + 0 0 18 5,-0.5 9,-0.3 -2,-0.4 8,-0.2 -0.927 24.2 49.5-149.0-178.7 17.1 -59.0 8.8 19 1009 A G S S- 0 0 39 -2,-0.3 363,-0.1 4,-0.1 365,-0.1 -0.440 84.8 -50.8 79.8-164.0 18.6 -60.8 5.9 20 1010 A A S > S- 0 0 25 -2,-0.1 4,-3.1 363,-0.1 5,-0.3 0.071 82.5 -46.3 -95.1-161.8 22.1 -60.4 4.5 21 1011 A G T 4 S+ 0 0 0 57,-2.7 4,-0.2 1,-0.2 57,-0.2 0.687 134.9 28.1 -38.9 -36.9 24.3 -57.4 3.3 22 1012 A E T >> S+ 0 0 3 56,-0.2 4,-1.7 2,-0.1 3,-0.7 0.855 121.2 47.9 -96.7 -52.7 21.6 -55.7 1.3 23 1013 A Q H 3> S+ 0 0 22 1,-0.3 4,-2.2 2,-0.2 -5,-0.5 0.821 103.8 62.6 -70.1 -29.9 18.4 -56.7 2.9 24 1014 A N H 3X S+ 0 0 0 -4,-3.1 4,-2.0 2,-0.2 -1,-0.3 0.913 106.9 47.1 -57.5 -33.7 19.8 -55.8 6.3 25 1015 A M H <> S+ 0 0 0 -3,-0.7 4,-2.4 -5,-0.3 -2,-0.2 0.849 105.5 57.3 -78.7 -29.8 20.1 -52.2 4.9 26 1016 A I H < S+ 0 0 29 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.929 112.2 43.3 -60.5 -42.7 16.6 -52.3 3.5 27 1017 A G H X S+ 0 0 9 -4,-2.2 4,-0.7 -9,-0.3 -12,-0.3 0.872 114.3 49.1 -68.5 -37.1 15.4 -53.1 7.1 28 1018 A M H X S+ 0 0 1 -4,-2.0 4,-2.6 -5,-0.2 5,-0.2 0.880 97.0 71.9 -73.0 -39.6 17.6 -50.5 8.7 29 1019 A T H X S+ 0 0 1 -4,-2.4 4,-3.1 1,-0.2 5,-0.3 0.892 96.7 45.0 -42.4 -61.1 16.6 -47.6 6.4 30 1020 A P H > S+ 0 0 13 0, 0.0 4,-2.8 0, 0.0 5,-0.2 0.906 116.5 43.9 -61.0 -38.6 13.0 -46.9 7.7 31 1021 A T H X S+ 0 0 2 -4,-0.7 4,-2.2 2,-0.2 5,-0.3 0.897 113.5 52.0 -77.1 -41.2 13.7 -47.0 11.4 32 1022 A V H X S+ 0 0 0 -4,-2.6 4,-2.3 1,-0.2 -1,-0.2 0.984 117.2 38.2 -51.6 -53.1 16.8 -44.9 10.9 33 1023 A I H X S+ 0 0 0 -4,-3.1 4,-3.3 -5,-0.2 -2,-0.2 0.821 112.5 55.1 -77.0 -33.6 14.9 -42.3 9.1 34 1024 A A H X S+ 0 0 2 -4,-2.8 4,-2.7 -5,-0.3 -1,-0.2 0.933 111.3 46.0 -62.6 -44.7 11.7 -42.4 11.1 35 1025 A V H X S+ 0 0 0 -4,-2.2 4,-2.8 -5,-0.2 5,-0.3 0.953 113.5 50.2 -62.5 -48.0 13.7 -41.8 14.3 36 1026 A H H X S+ 0 0 18 -4,-2.3 4,-2.2 -5,-0.3 -2,-0.2 0.941 114.0 44.7 -46.3 -58.7 15.6 -39.0 12.5 37 1027 A Y H X S+ 0 0 2 -4,-3.3 4,-2.1 1,-0.2 -2,-0.2 0.909 116.0 45.3 -59.4 -43.5 12.4 -37.4 11.3 38 1028 A L H <>S+ 0 0 1 -4,-2.7 5,-1.9 2,-0.2 4,-0.3 0.820 111.6 52.7 -70.4 -33.4 10.6 -37.7 14.7 39 1029 A D H ><5S+ 0 0 9 -4,-2.8 3,-0.5 -5,-0.2 -1,-0.2 0.903 112.0 46.1 -65.9 -46.2 13.6 -36.4 16.7 40 1030 A E H 3<5S+ 0 0 51 -4,-2.2 -2,-0.2 -5,-0.3 -1,-0.2 0.943 117.1 41.4 -64.0 -44.0 13.8 -33.4 14.5 41 1031 A T T 3<5S- 0 0 20 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.373 106.2-129.0 -91.1 4.2 10.0 -32.6 14.6 42 1032 A E T < 5 + 0 0 151 -3,-0.5 4,-0.2 -4,-0.3 -3,-0.2 0.892 58.4 141.9 59.7 53.2 9.9 -33.4 18.3 43 1033 A Q < + 0 0 27 -5,-1.9 -1,-0.1 1,-0.1 -4,-0.1 0.070 38.5 97.0-111.1 21.1 6.9 -35.8 18.2 44 1034 A W S >>>S+ 0 0 5 -6,-0.3 4,-3.0 3,-0.2 3,-0.8 0.887 79.7 50.4 -87.3 -36.4 8.1 -38.3 20.8 45 1035 A E T 345S+ 0 0 78 1,-0.3 2,-1.2 3,-0.2 4,-0.3 0.963 114.3 46.7 -60.3 -54.1 6.3 -37.0 23.9 46 1036 A K T 345S+ 0 0 90 -4,-0.2 -1,-0.3 1,-0.2 -2,-0.1 -0.307 126.9 27.5 -84.6 51.3 3.0 -37.0 22.0 47 1037 A F T <45S- 0 0 24 -2,-1.2 -2,-0.2 -3,-0.8 -1,-0.2 0.276 129.3 -51.1-176.7 -29.2 3.6 -40.5 20.6 48 1038 A G T >X5 - 0 0 6 -4,-3.0 3,-2.1 -5,-0.1 4,-1.0 0.567 35.5-167.6 137.4 67.3 5.8 -42.6 22.8 49 1039 A L H >> S+ 0 0 140 1,-0.2 4,-1.1 2,-0.2 3,-0.3 0.753 95.5 62.5 -77.7 -25.1 9.7 -45.1 25.2 51 1041 A K H <> S+ 0 0 82 -3,-2.1 4,-2.4 1,-0.2 -1,-0.2 0.740 94.6 67.7 -66.6 -23.3 9.1 -46.5 21.7 52 1042 A R H < S+ 0 0 60 -4,-1.9 3,-0.5 1,-0.2 4,-0.2 0.813 105.9 60.5 -70.4 -33.8 24.6 -57.0 11.8 66 1056 A Q H >< S+ 0 0 0 -4,-2.3 3,-2.8 1,-0.2 4,-0.2 0.908 95.2 62.4 -63.8 -38.6 25.8 -54.9 9.0 67 1057 A L H >< S+ 0 0 60 -4,-1.9 3,-1.5 1,-0.3 -1,-0.2 0.817 89.9 68.4 -56.1 -27.2 29.5 -55.2 10.4 68 1058 A A T << S+ 0 0 68 -4,-0.7 -1,-0.3 -3,-0.5 -2,-0.2 0.719 102.2 48.3 -64.7 -11.2 29.2 -59.0 9.7 69 1059 A F T < S+ 0 0 38 -3,-2.8 8,-0.6 -4,-0.2 2,-0.4 0.376 80.2 117.8-110.0 5.0 29.2 -57.9 6.0 70 1060 A R B < -A 76 0A 90 -3,-1.5 6,-0.2 -4,-0.2 5,-0.1 -0.585 56.9-145.6 -73.4 122.3 32.2 -55.6 6.2 71 1061 A Q > - 0 0 20 4,-2.9 3,-2.1 -2,-0.4 10,-0.1 -0.344 28.8-101.1 -82.9 163.4 34.9 -56.9 3.9 72 1062 A P T 3 S+ 0 0 145 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.889 124.7 59.7 -49.2 -33.1 38.7 -56.6 4.7 73 1063 A S T 3 S- 0 0 53 1,-0.1 43,-0.1 2,-0.1 3,-0.1 0.527 119.3-112.5 -68.3 -8.1 38.8 -53.7 2.2 74 1064 A S S < S+ 0 0 14 -3,-2.1 39,-0.1 1,-0.3 -1,-0.1 0.261 81.4 123.0 77.3 -4.4 36.2 -51.8 4.4 75 1065 A A - 0 0 0 -5,-0.1 -4,-2.9 37,-0.1 2,-0.3 -0.238 53.1-133.2 -79.4 169.3 33.6 -52.3 1.5 76 1066 A F B +A 70 0A 0 9,-0.5 9,-2.2 -6,-0.2 13,-0.4 -0.927 27.0 158.8-127.6 150.5 30.1 -54.0 1.6 77 1067 A A - 0 0 1 -8,-0.6 -56,-0.1 -2,-0.3 57,-0.1 -0.900 57.8 -89.7-154.6 169.5 28.3 -56.6 -0.5 78 1068 A A S S+ 0 0 3 -2,-0.3 -57,-2.7 5,-0.2 2,-0.3 0.824 115.0 20.1 -51.6 -37.2 25.3 -58.9 0.1 79 1069 A F S > S- 0 0 110 -59,-0.2 3,-1.2 -58,-0.1 -10,-0.1 -0.946 85.5-113.4-137.5 152.2 27.8 -61.7 1.2 80 1070 A V T 3 S+ 0 0 68 -2,-0.3 -2,-0.0 1,-0.3 -1,-0.0 0.726 117.0 44.3 -64.4 -27.0 31.4 -61.4 2.5 81 1071 A K T 3 S+ 0 0 199 2,-0.1 -1,-0.3 -10,-0.1 2,-0.2 0.486 90.6 104.8-100.3 0.5 32.8 -63.2 -0.6 82 1072 A R S < S- 0 0 84 -3,-1.2 3,-0.1 1,-0.1 50,-0.1 -0.487 89.4 -96.7 -68.7 142.0 30.7 -61.4 -3.1 83 1073 A A - 0 0 62 -2,-0.2 -5,-0.2 1,-0.1 -4,-0.1 -0.440 55.8-100.6 -58.8 133.2 32.5 -58.7 -5.1 84 1074 A P - 0 0 27 0, 0.0 2,-0.5 0, 0.0 47,-0.3 -0.283 29.8-128.2 -69.5 140.5 31.8 -55.4 -3.3 85 1075 A S > - 0 0 3 -9,-2.2 4,-2.2 1,-0.2 -9,-0.5 -0.765 6.5-156.5 -88.5 127.7 29.1 -52.9 -4.5 86 1076 A T H > S+ 0 0 0 -2,-0.5 4,-2.6 2,-0.2 5,-0.2 0.957 98.8 49.1 -62.6 -49.9 30.1 -49.3 -5.0 87 1077 A W H > S+ 0 0 7 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.949 113.9 45.1 -57.5 -50.6 26.4 -48.3 -4.5 88 1078 A L H > S+ 0 0 0 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.890 112.1 49.8 -61.0 -47.2 25.9 -50.4 -1.3 89 1079 A T H X S+ 0 0 0 -4,-2.2 4,-1.8 -13,-0.4 -1,-0.2 0.921 114.7 45.9 -59.3 -41.2 29.2 -49.2 0.3 90 1080 A A H X S+ 0 0 0 -4,-2.6 4,-2.5 -5,-0.2 -2,-0.2 0.844 111.9 52.1 -68.3 -33.3 28.2 -45.6 -0.5 91 1081 A Y H X S+ 0 0 0 -4,-2.4 4,-2.5 -5,-0.2 5,-0.2 0.893 106.7 51.8 -72.3 -36.3 24.6 -46.3 0.8 92 1082 A V H X S+ 0 0 2 -4,-2.6 4,-3.2 2,-0.2 5,-0.3 0.932 110.2 51.0 -65.5 -39.1 25.9 -47.7 4.1 93 1083 A V H X S+ 0 0 0 -4,-1.8 4,-2.5 -5,-0.2 -2,-0.2 0.960 109.8 50.2 -55.3 -54.7 28.0 -44.5 4.4 94 1084 A K H X S+ 0 0 0 -4,-2.5 4,-1.6 1,-0.2 -2,-0.2 0.926 116.8 39.4 -50.7 -53.3 24.8 -42.4 3.7 95 1085 A V H X S+ 0 0 0 -4,-2.5 4,-2.1 1,-0.2 -1,-0.2 0.926 115.8 48.8 -71.1 -46.3 22.7 -44.2 6.4 96 1086 A F H X S+ 0 0 2 -4,-3.2 4,-0.6 -5,-0.2 -1,-0.2 0.883 106.9 58.7 -64.0 -34.0 25.5 -44.5 9.1 97 1087 A S H >< S+ 0 0 7 -4,-2.5 3,-1.1 -5,-0.3 4,-0.2 0.940 109.4 43.2 -61.0 -48.1 26.3 -40.8 8.7 98 1088 A L H >< S+ 0 0 23 -4,-1.6 3,-0.8 1,-0.2 -1,-0.2 0.811 109.9 57.8 -62.8 -36.0 22.7 -39.9 9.6 99 1089 A A H >X S+ 0 0 0 -4,-2.1 3,-2.0 1,-0.2 4,-1.8 0.477 78.0 91.7 -71.3 -6.9 22.8 -42.5 12.5 100 1090 A V T << S+ 0 0 5 -3,-1.1 236,-0.3 -4,-0.6 -1,-0.2 0.756 86.1 54.4 -56.7 -26.2 25.8 -40.8 14.2 101 1091 A N T <4 S+ 0 0 28 -3,-0.8 -1,-0.3 -4,-0.2 231,-0.3 0.547 114.7 40.5 -77.5 -10.7 23.3 -38.8 16.2 102 1092 A L T <4 S+ 0 0 1 -3,-2.0 2,-0.3 1,-0.3 -2,-0.2 0.777 116.6 4.5-114.2 -35.6 21.6 -42.0 17.3 103 1093 A I S < S- 0 0 7 -4,-1.8 -1,-0.3 -44,-0.1 2,-0.2 -0.945 87.3 -69.3-147.9 164.4 24.0 -44.8 18.2 104 1094 A A - 0 0 42 -2,-0.3 2,-0.4 -3,-0.1 -3,-0.1 -0.458 52.1-176.6 -56.4 124.0 27.6 -45.6 18.6 105 1095 A I - 0 0 3 -2,-0.2 2,-0.6 -5,-0.2 3,-0.0 -0.993 25.2-128.3-127.4 121.6 29.0 -45.6 15.1 106 1096 A D >> - 0 0 65 -2,-0.4 4,-2.1 1,-0.2 3,-1.0 -0.620 11.3-152.6 -77.4 116.0 32.7 -46.6 14.5 107 1097 A S H 3> S+ 0 0 5 -2,-0.6 4,-3.9 1,-0.3 5,-0.4 0.763 94.5 58.0 -52.4 -40.6 34.5 -43.9 12.4 108 1098 A Q H 3> S+ 0 0 100 2,-0.2 4,-1.2 3,-0.2 -1,-0.3 0.812 106.5 48.2 -65.7 -32.8 37.0 -46.3 11.1 109 1099 A V H <> S+ 0 0 4 -3,-1.0 4,-2.1 3,-0.2 -2,-0.2 0.975 119.2 38.6 -66.2 -55.5 34.2 -48.4 9.7 110 1100 A L H X S+ 0 0 2 -4,-2.1 4,-2.1 2,-0.2 -2,-0.2 0.972 122.6 40.5 -63.5 -53.7 32.5 -45.4 8.1 111 1101 A a H X S+ 0 0 0 -4,-3.9 4,-3.3 1,-0.2 5,-0.2 0.859 109.7 61.1 -66.8 -31.2 35.7 -43.6 7.0 112 1102 A G H X S+ 0 0 8 -4,-1.2 4,-2.5 -5,-0.4 -1,-0.2 0.955 107.1 45.3 -56.3 -49.7 37.2 -46.9 5.9 113 1103 A A H X S+ 0 0 1 -4,-2.1 4,-2.4 2,-0.2 -2,-0.2 0.907 112.7 51.3 -58.9 -43.7 34.3 -47.3 3.4 114 1104 A V H X S+ 0 0 0 -4,-2.1 4,-2.0 2,-0.2 -2,-0.2 0.960 110.7 48.3 -56.6 -49.6 34.7 -43.7 2.3 115 1105 A K H X S+ 0 0 68 -4,-3.3 4,-3.0 1,-0.2 5,-0.3 0.914 109.5 52.4 -61.9 -43.5 38.4 -44.2 1.7 116 1106 A W H X>S+ 0 0 23 -4,-2.5 4,-4.0 1,-0.2 5,-0.6 0.924 107.0 51.9 -60.4 -47.1 37.9 -47.4 -0.3 117 1107 A L H X5S+ 0 0 0 -4,-2.4 4,-2.4 1,-0.2 5,-0.5 0.935 115.6 41.7 -53.5 -47.9 35.4 -45.8 -2.6 118 1108 A I H X5S+ 0 0 20 -4,-2.0 4,-0.6 3,-0.2 -2,-0.2 0.917 121.4 41.2 -63.1 -47.0 37.9 -42.9 -3.3 119 1109 A L H <5S+ 0 0 107 -4,-3.0 -2,-0.2 -5,-0.2 -3,-0.2 0.864 130.9 22.2 -76.5 -39.3 40.9 -45.2 -3.6 120 1110 A E H <5S+ 0 0 126 -4,-4.0 -3,-0.2 -5,-0.3 -2,-0.2 0.807 126.8 34.1 -99.5 -33.6 39.2 -48.0 -5.5 121 1111 A K H < - 0 0 70 4,-3.7 3,-1.4 -2,-0.6 -2,-0.1 -0.200 28.9-106.2 -73.1 163.4 38.0 -42.7 -12.1 124 1114 A P T 3 S+ 0 0 113 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.874 124.1 55.4 -60.4 -32.6 40.6 -40.0 -12.9 125 1115 A D T 3 S- 0 0 73 1,-0.1 60,-0.2 2,-0.1 -2,-0.0 0.519 125.6-106.0 -77.4 -0.6 37.8 -37.8 -14.3 126 1116 A G S < S+ 0 0 0 -3,-1.4 60,-0.1 1,-0.3 -1,-0.1 0.303 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0 0 104 -4,-0.4 4,-0.3 -3,-0.2 -1,-0.3 0.822 118.8 43.3 -61.2 -32.8 32.6 -33.9 9.2 167 1157 A I H <4 S+ 0 0 17 -3,-0.9 -1,-0.2 -4,-0.2 -2,-0.2 0.780 124.5 33.6 -87.4 -28.8 33.0 -37.4 10.6 168 1158 A a H >X S+ 0 0 0 -4,-2.3 4,-2.0 -7,-0.2 3,-0.9 0.455 85.7 103.4-109.8 -3.7 35.8 -38.3 8.2 169 1159 A E T 3< S+ 0 0 65 -4,-1.7 3,-0.3 1,-0.3 6,-0.1 0.878 86.2 42.2 -46.3 -53.2 37.7 -34.9 7.8 170 1160 A E T 34 S+ 0 0 70 -4,-0.3 -1,-0.3 1,-0.2 3,-0.1 0.654 121.3 38.5 -78.7 -18.3 40.6 -35.7 10.1 171 1161 A Q T <4 S+ 0 0 68 -3,-0.9 2,-0.6 1,-0.2 -1,-0.2 0.557 105.0 62.6-113.4 -6.9 41.2 -39.3 9.0 172 1162 A V >< + 0 0 0 -4,-2.0 3,-1.5 -3,-0.3 -1,-0.2 -0.834 54.3 178.8-121.6 97.4 40.6 -39.3 5.2 173 1163 A N T 3 S+ 0 0 151 -2,-0.6 4,-0.3 1,-0.3 -1,-0.2 0.813 79.5 55.8 -66.2 -31.1 43.2 -37.1 3.6 174 1164 A S T 3> S+ 0 0 43 1,-0.2 4,-2.0 2,-0.1 -1,-0.3 0.528 84.1 92.3 -77.7 -8.7 42.0 -37.8 0.1 175 1165 A L H <> S+ 0 0 0 -3,-1.5 4,-3.0 1,-0.2 -1,-0.2 0.875 80.0 48.7 -65.5 -51.8 38.4 -36.7 0.8 176 1166 A P H > S+ 0 0 46 0, 0.0 4,-1.9 0, 0.0 -1,-0.2 0.894 115.7 44.4 -56.1 -41.3 38.4 -33.0 -0.1 177 1167 A G H > S+ 0 0 44 -4,-0.3 4,-2.6 2,-0.2 5,-0.2 0.865 111.3 54.0 -74.3 -31.8 40.1 -33.6 -3.5 178 1168 A S H X S+ 0 0 5 -4,-2.0 4,-2.2 2,-0.2 5,-0.2 0.947 108.1 51.0 -64.0 -48.4 37.8 -36.6 -4.2 179 1169 A I H X S+ 0 0 9 -4,-3.0 4,-2.2 1,-0.2 -2,-0.2 0.923 112.3 46.5 -49.1 -45.6 34.8 -34.3 -3.5 180 1170 A T H X S+ 0 0 69 -4,-1.9 4,-2.9 2,-0.2 -2,-0.2 0.908 110.2 50.7 -69.8 -46.4 36.2 -31.7 -6.0 181 1171 A K H X S+ 0 0 104 -4,-2.6 4,-1.8 2,-0.2 -1,-0.2 0.876 113.1 47.8 -58.1 -40.3 37.0 -34.2 -8.8 182 1172 A A H X S+ 0 0 0 -4,-2.2 4,-2.1 -5,-0.2 -2,-0.2 0.897 111.2 49.9 -66.7 -43.2 33.5 -35.5 -8.5 183 1173 A G H X S+ 0 0 0 -4,-2.2 4,-3.3 -5,-0.2 5,-0.2 0.928 107.7 55.5 -57.9 -40.9 32.1 -32.0 -8.5 184 1174 A D H X S+ 0 0 66 -4,-2.9 4,-1.8 1,-0.2 -2,-0.2 0.912 107.9 47.3 -61.1 -43.5 34.1 -31.3 -11.6 185 1175 A F H X S+ 0 0 29 -4,-1.8 4,-0.9 1,-0.2 -1,-0.2 0.920 114.3 47.0 -64.8 -47.4 32.6 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64.0-148.2 -93.0 132.0 16.5 -36.7 -16.9 196 1186 A S H > S+ 0 0 13 -2,-0.4 4,-2.4 1,-0.2 5,-0.2 0.862 101.2 55.9 -52.9 -40.6 14.7 -34.8 -14.2 197 1187 A Y H > S+ 0 0 2 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.914 109.9 43.7 -62.0 -48.9 15.9 -37.4 -11.7 198 1188 A T H >>S+ 0 0 1 2,-0.2 4,-2.9 1,-0.2 5,-0.5 0.928 111.8 54.1 -65.1 -44.0 19.6 -36.9 -12.6 199 1189 A V H X5S+ 0 0 1 -4,-2.5 4,-1.5 1,-0.2 -2,-0.2 0.923 112.0 44.7 -50.2 -46.7 19.1 -33.1 -12.6 200 1190 A A H X5S+ 0 0 0 -4,-2.4 4,-1.8 2,-0.2 -2,-0.2 0.920 117.7 42.8 -65.5 -51.7 17.7 -33.2 -9.0 201 1191 A I H X5S+ 0 0 0 -4,-2.3 4,-2.0 2,-0.2 -2,-0.2 0.913 119.0 41.9 -64.7 -48.8 20.3 -35.6 -7.6 202 1192 A A H X5S+ 0 0 0 -4,-2.9 4,-3.0 -5,-0.2 5,-0.3 0.845 112.0 59.1 -68.5 -29.9 23.4 -34.0 -9.3 203 1193 A G H X<>S+ 0 0 0 -4,-3.0 5,-2.9 1,-0.2 3,-1.2 0.882 111.4 55.1 -58.7 -45.6 26.6 -29.6 -6.7 207 1197 A A H ><5S+ 0 0 7 -4,-2.4 3,-2.8 1,-0.3 -1,-0.2 0.901 98.2 62.5 -60.0 -44.3 24.6 -27.3 -4.4 208 1198 A Q H 3<5S+ 0 0 50 -4,-2.2 -1,-0.3 1,-0.3 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-25.3 -9.9 228 1218 A N T <4 S+ 0 0 33 -3,-2.3 2,-0.3 1,-0.3 -2,-0.2 0.561 88.2 26.7-133.2 -10.1 6.7 -28.1 -7.4 229 1219 A R B < -C 225 0C 40 -4,-1.1 -4,-2.9 36,-0.1 2,-0.5 -0.995 53.7-136.8-154.4 153.9 8.1 -31.4 -8.6 230 1220 A W + 0 0 0 9,-0.4 13,-0.4 -2,-0.3 2,-0.3 -0.976 43.1 166.4-113.5 114.0 10.9 -33.1 -10.6 231 1221 A E - 0 0 62 -2,-0.5 -35,-0.2 -8,-0.4 5,-0.1 -0.972 25.3-175.7-138.1 149.4 9.4 -36.0 -12.6 232 1222 A D - 0 0 23 -2,-0.3 2,-0.3 3,-0.2 7,-0.1 -0.912 47.7 -89.1-124.2 151.8 10.0 -38.4 -15.4 233 1223 A P S S+ 0 0 134 0, 0.0 2,-0.3 0, 0.0 3,-0.0 -0.514 95.0 73.0 -50.1 122.8 7.7 -41.0 -17.0 234 1224 A G S S- 0 0 47 -2,-0.3 2,-0.2 -3,-0.0 5,-0.0 -0.965 94.1 -13.3 157.2-161.1 8.3 -44.1 -14.8 235 1225 A K >> - 0 0 109 -2,-0.3 3,-1.3 1,-0.1 4,-0.8 -0.468 55.5-131.4 -68.7 137.5 7.4 -45.1 -11.3 236 1226 A Q H 3> S+ 0 0 89 1,-0.2 4,-2.0 2,-0.2 3,-0.5 0.801 103.9 70.5 -51.7 -36.1 6.0 -42.4 -9.1 237 1227 A L H 3> S+ 0 0 43 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.784 93.8 52.8 -54.9 -36.0 8.4 -43.5 -6.4 238 1228 A Y H <> S+ 0 0 25 -3,-1.3 4,-3.5 2,-0.2 -1,-0.2 0.800 108.3 52.9 -69.9 -33.1 11.5 -42.1 -8.4 239 1229 A N H X S+ 0 0 4 -4,-0.8 4,-2.5 -3,-0.5 -9,-0.4 0.860 108.3 47.0 -72.1 -38.6 9.7 -38.8 -8.6 240 1230 A V H X S+ 0 0 6 -4,-2.0 4,-1.7 2,-0.2 -2,-0.2 0.921 116.4 47.1 -67.0 -41.7 9.1 -38.6 -4.8 241 1231 A E H X S+ 0 0 2 -4,-2.0 4,-2.2 -5,-0.2 -2,-0.2 0.959 115.3 44.0 -59.6 -53.9 12.8 -39.5 -4.5 242 1232 A A H X S+ 0 0 0 -4,-3.5 4,-1.9 1,-0.2 -2,-0.2 0.920 113.3 51.0 -58.0 -48.6 14.0 -36.9 -7.1 243 1233 A T H X S+ 0 0 0 -4,-2.5 4,-1.5 -13,-0.4 -1,-0.2 0.855 109.0 52.9 -58.7 -33.6 11.7 -34.2 -5.7 244 1234 A S H X S+ 0 0 0 -4,-1.7 4,-2.2 1,-0.2 -2,-0.2 0.890 109.3 47.2 -71.6 -39.7 13.2 -34.9 -2.2 245 1235 A Y H X S+ 0 0 0 -4,-2.2 4,-1.5 1,-0.2 -1,-0.2 0.850 112.2 52.2 -63.1 -36.3 16.8 -34.5 -3.5 246 1236 A A H X S+ 0 0 0 -4,-1.9 4,-2.2 2,-0.2 -2,-0.2 0.805 106.6 52.1 -71.7 -33.8 15.6 -31.3 -5.2 247 1237 A L H X S+ 0 0 0 -4,-1.5 4,-2.6 2,-0.2 -2,-0.2 0.916 107.7 51.7 -68.7 -44.2 14.2 -30.0 -2.0 248 1238 A L H X S+ 0 0 2 -4,-2.2 4,-2.0 2,-0.2 -2,-0.2 0.879 110.1 50.3 -57.4 -33.4 17.5 -30.7 -0.2 249 1239 A A H X S+ 0 0 0 -4,-1.5 4,-2.0 2,-0.2 -2,-0.2 0.956 109.6 49.5 -71.7 -47.1 19.2 -28.7 -3.0 250 1240 A L H X>S+ 0 0 0 -4,-2.2 5,-2.1 1,-0.2 4,-0.5 0.903 110.6 51.4 -53.7 -43.6 16.8 -25.8 -2.5 251 1241 A L H ><5S+ 0 0 1 -4,-2.6 3,-1.0 1,-0.2 -1,-0.2 0.910 108.3 50.6 -66.3 -36.3 17.4 -25.9 1.2 252 1242 A Q H 3<5S+ 0 0 81 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.843 112.4 47.7 -64.9 -34.9 21.2 -25.8 0.6 253 1243 A L H 3<5S- 0 0 53 -4,-2.0 -1,-0.3 -5,-0.1 -2,-0.2 0.487 106.9-130.6 -79.9 -12.1 20.6 -22.8 -1.7 254 1244 A K T <<5 + 0 0 143 -3,-1.0 2,-1.9 -4,-0.5 -3,-0.2 0.802 51.6 156.7 54.3 33.9 18.4 -21.2 0.9 255 1245 A D >< + 0 0 42 -5,-2.1 4,-1.3 1,-0.2 3,-0.5 -0.488 2.5 159.2 -84.9 71.1 15.9 -20.6 -1.8 256 1246 A F T 4 + 0 0 59 -2,-1.9 -1,-0.2 1,-0.2 -5,-0.1 0.569 65.2 66.9 -75.2 -8.1 13.0 -20.4 0.6 257 1247 A D T 4 S+ 0 0 152 -3,-0.2 -1,-0.2 1,-0.1 -2,-0.1 0.926 108.4 37.5 -74.1 -43.8 10.9 -18.6 -2.0 258 1248 A F T > S+ 0 0 36 -3,-0.5 4,-0.8 1,-0.2 -2,-0.2 0.750 103.1 79.1 -73.1 -27.6 10.8 -21.8 -4.2 259 1249 A V H >X S+ 0 0 3 -4,-1.3 4,-2.5 1,-0.2 3,-0.9 0.850 77.5 62.3 -54.9 -47.8 10.5 -24.2 -1.2 260 1250 A P H 3> S+ 0 0 48 0, 0.0 4,-2.5 0, 0.0 -1,-0.2 0.848 101.6 48.8 -66.8 -36.8 6.9 -24.1 -0.2 261 1251 A P H 3> S+ 0 0 36 0, 0.0 4,-1.8 0, 0.0 -2,-0.2 0.832 113.0 51.0 -63.6 -27.9 5.2 -25.4 -3.4 262 1252 A V H <>S+ 0 0 6 -4,-2.0 3,-2.2 2,-0.2 5,-0.5 0.971 112.7 49.4 -67.2 -51.5 5.5 -33.9 -1.3 267 1257 A N H ><5S+ 0 0 44 -4,-2.9 3,-1.5 1,-0.3 -1,-0.2 0.892 108.3 55.5 -55.6 -39.1 3.1 -33.6 1.6 268 1258 A E T 3<5S+ 0 0 113 -4,-2.4 -1,-0.3 1,-0.3 -2,-0.2 0.557 91.7 71.6 -73.9 -8.5 0.2 -34.1 -0.7 269 1259 A Q T < 5S- 0 0 65 -3,-2.2 -1,-0.3 -4,-0.4 -2,-0.2 0.729 88.8-148.6 -71.4 -16.7 1.7 -37.3 -2.0 270 1260 A R T < 5 + 0 0 154 -3,-1.5 2,-0.9 -4,-0.5 -3,-0.1 0.924 35.9 164.3 47.4 47.1 0.8 -38.9 1.4 271 1261 A Y < + 0 0 48 -5,-0.5 -1,-0.2 1,-0.1 -2,-0.1 -0.855 15.9 169.2 -99.4 106.7 3.9 -41.1 0.9 272 1262 A Y - 0 0 46 -2,-0.9 -1,-0.1 1,-0.2 -2,-0.0 0.282 36.6-134.1-105.7 13.1 4.8 -42.7 4.3 273 1263 A G + 0 0 5 1,-0.1 -1,-0.2 -260,-0.0 103,-0.1 0.153 51.7 110.5 67.7 176.7 7.4 -45.2 3.0 274 1264 A G + 0 0 18 4,-0.3 104,-0.1 1,-0.2 -1,-0.1 0.150 44.1 73.9 96.9 146.7 7.9 -48.9 3.8 275 1265 A G S > S- 0 0 19 101,-0.1 3,-1.8 102,-0.1 104,-0.3 -0.243 86.6 -29.2 106.6 163.2 7.5 -51.9 1.6 276 1266 A Y T 3 S+ 0 0 107 102,-3.3 102,-0.1 1,-0.2 103,-0.0 -0.311 128.2 8.3 -50.8 130.4 9.1 -53.6 -1.3 277 1267 A G T 3 S+ 0 0 19 1,-0.1 4,-0.3 -141,-0.0 -1,-0.2 0.574 98.5 108.6 79.6 9.8 11.1 -51.1 -3.5 278 1268 A S <> + 0 0 9 -3,-1.8 4,-3.0 1,-0.1 5,-0.3 0.336 37.1 106.1-100.9 6.9 10.7 -48.2 -1.1 279 1269 A T H > S+ 0 0 2 -141,-0.3 4,-2.5 1,-0.2 5,-0.3 0.932 85.2 37.6 -62.3 -49.6 14.2 -47.8 0.3 280 1270 A Q H > S+ 0 0 1 -142,-0.3 4,-2.9 1,-0.2 5,-0.3 0.938 118.8 47.5 -72.5 -43.2 15.3 -44.7 -1.6 281 1271 A A H > S+ 0 0 3 -4,-0.3 4,-2.4 2,-0.2 5,-0.3 0.909 114.4 48.5 -58.5 -41.0 11.9 -42.9 -1.4 282 1272 A T H X S+ 0 0 1 -4,-3.0 4,-1.5 2,-0.2 5,-0.2 0.954 115.8 40.7 -67.6 -51.7 11.6 -43.6 2.2 283 1273 A F H X S+ 0 0 0 -4,-2.5 4,-2.2 -5,-0.3 -2,-0.2 0.949 120.6 44.0 -57.2 -50.4 15.0 -42.5 3.3 284 1274 A M H X S+ 0 0 0 -4,-2.9 4,-2.7 -5,-0.3 -2,-0.2 0.849 109.1 52.3 -71.6 -39.0 15.0 -39.4 1.0 285 1275 A V H X S+ 0 0 4 -4,-2.4 4,-2.2 -5,-0.3 -1,-0.2 0.940 116.2 41.7 -64.8 -43.1 11.5 -38.0 1.6 286 1276 A F H X S+ 0 0 1 -4,-1.5 4,-2.0 -5,-0.3 5,-0.2 0.836 113.3 51.8 -77.0 -29.9 12.1 -38.1 5.4 287 1277 A Q H X S+ 0 0 5 -4,-2.2 4,-2.5 -5,-0.2 -2,-0.2 0.943 113.2 47.3 -60.1 -49.3 15.6 -36.8 5.2 288 1278 A A H X S+ 0 0 0 -4,-2.7 4,-2.5 2,-0.2 -2,-0.2 0.894 114.2 44.3 -59.0 -46.2 14.3 -33.9 3.0 289 1279 A L H X S+ 0 0 7 -4,-2.2 4,-2.8 2,-0.2 -1,-0.2 0.865 112.4 51.5 -72.5 -36.7 11.3 -33.0 5.2 290 1280 A A H X S+ 0 0 1 -4,-2.0 4,-2.1 2,-0.2 -2,-0.2 0.950 112.6 47.0 -63.6 -47.7 13.3 -33.2 8.4 291 1281 A Q H X S+ 0 0 48 -4,-2.5 4,-2.4 -5,-0.2 5,-0.3 0.918 111.9 51.3 -55.1 -46.0 15.9 -30.9 6.8 292 1282 A Y H X S+ 0 0 10 -4,-2.5 4,-2.7 1,-0.2 -2,-0.2 0.947 111.2 46.6 -57.5 -46.5 13.0 -28.7 5.7 293 1283 A Q H < S+ 0 0 52 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.792 115.3 48.1 -67.4 -28.3 11.6 -28.5 9.2 294 1284 A K H < S+ 0 0 128 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.887 124.0 26.8 -75.5 -40.9 15.0 -27.8 10.6 295 1285 A D H < S+ 0 0 59 -4,-2.4 -2,-0.2 -5,-0.2 -3,-0.2 0.881 89.3 99.4 -89.7 -48.9 16.0 -25.0 8.2 296 1286 A A < 0 0 17 -4,-2.7 -45,-0.0 -5,-0.3 -4,-0.0 -0.227 360.0 360.0 -73.0 137.6 13.0 -23.2 6.8 297 1287 A P 0 0 142 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 -0.040 360.0 360.0 -48.1 360.0 12.0 -19.9 8.4 298 !* 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 0.0 299 101 B T >> 0 0 132 0, 0.0 4,-1.2 0, 0.0 3,-0.6 0.000 360.0 360.0 360.0 4.9 49.7 -29.9 14.9 300 102 B D H 3> + 0 0 117 1,-0.2 4,-2.6 2,-0.2 5,-0.1 0.804 360.0 66.1 -65.0 -32.5 46.6 -27.7 14.7 301 103 B A H 3> S+ 0 0 44 2,-0.2 4,-1.2 1,-0.2 -1,-0.2 0.615 94.3 53.9 -57.2 -22.5 45.4 -31.3 14.2 302 104 B T H <> S+ 0 0 59 -3,-0.6 4,-2.6 2,-0.2 -1,-0.2 0.913 108.9 48.3 -76.5 -45.1 46.4 -32.0 17.8 303 105 B I H X S+ 0 0 99 -4,-1.2 4,-3.2 2,-0.2 -2,-0.2 0.915 109.7 52.6 -55.7 -48.7 44.3 -29.1 19.0 304 106 B K H X S+ 0 0 102 -4,-2.6 4,-2.4 1,-0.2 5,-0.2 0.960 112.1 44.5 -51.2 -60.2 41.2 -30.3 16.9 305 107 B K H X S+ 0 0 49 -4,-1.2 4,-1.7 1,-0.2 -1,-0.2 0.867 113.8 51.5 -51.6 -41.4 41.4 -33.8 18.4 306 108 B E H X S+ 0 0 93 -4,-2.6 4,-1.7 1,-0.2 -1,-0.2 0.926 111.4 47.1 -65.2 -42.5 41.8 -32.2 21.8 307 109 B Q H X S+ 0 0 105 -4,-3.2 4,-2.9 2,-0.2 -2,-0.2 0.811 106.2 56.5 -66.3 -34.6 38.8 -30.0 21.2 308 110 B K H X S+ 0 0 47 -4,-2.4 4,-3.1 1,-0.2 -1,-0.2 0.926 107.5 52.5 -61.9 -44.2 36.6 -32.9 20.0 309 111 B L H X S+ 0 0 22 -4,-1.7 4,-2.7 2,-0.2 -2,-0.2 0.905 111.2 43.7 -56.2 -51.3 37.4 -34.6 23.2 310 112 B I H X S+ 0 0 64 -4,-1.7 4,-3.6 2,-0.2 5,-0.3 0.934 113.1 51.8 -63.7 -50.1 36.3 -31.5 25.4 311 113 B Q H X S+ 0 0 108 -4,-2.9 4,-2.3 2,-0.2 5,-0.2 0.944 113.3 45.0 -47.8 -50.6 33.2 -31.0 23.3 312 114 B A H X S+ 0 0 0 -4,-3.1 4,-2.6 22,-0.3 5,-0.3 0.917 114.2 49.3 -62.9 -44.5 32.3 -34.7 23.8 313 115 B Q H X S+ 0 0 57 -4,-2.7 4,-2.1 1,-0.2 -2,-0.2 0.930 113.7 47.1 -56.9 -50.1 33.1 -34.5 27.6 314 116 B N H X S+ 0 0 74 -4,-3.6 4,-1.1 1,-0.2 -1,-0.2 0.840 115.2 43.1 -59.8 -40.1 31.0 -31.4 27.9 315 117 B L H X S+ 0 0 43 -4,-2.3 4,-2.6 -5,-0.3 16,-0.3 0.846 113.2 51.1 -82.6 -33.5 28.0 -32.7 26.0 316 118 B V H X S+ 0 0 1 -4,-2.6 4,-2.2 2,-0.2 -2,-0.2 0.899 110.0 50.7 -65.1 -42.3 28.0 -36.1 27.6 317 119 B R H X S+ 0 0 134 -4,-2.1 4,-0.7 -5,-0.3 -2,-0.2 0.860 113.0 47.6 -60.3 -34.4 28.2 -34.4 31.0 318 120 B E H X S+ 0 0 93 -4,-1.1 4,-2.2 2,-0.2 5,-0.3 0.860 105.5 55.3 -80.4 -36.8 25.2 -32.3 29.9 319 121 B F H >X S+ 0 0 0 -4,-2.6 4,-3.0 1,-0.2 3,-0.9 0.996 105.8 54.6 -52.5 -61.7 23.2 -35.3 28.6 320 122 B E H 3< S+ 0 0 68 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.728 110.0 50.0 -36.7 -34.0 23.7 -36.8 32.1 321 123 B K H 3< S+ 0 0 73 -4,-0.7 -1,-0.2 -3,-0.3 -2,-0.2 0.861 126.1 17.1 -78.8 -40.7 22.1 -33.4 33.3 322 124 B T H << S- 0 0 62 -4,-2.2 40,-0.2 -3,-0.9 -2,-0.2 0.725 74.0-151.0-107.7 -24.5 18.9 -33.2 31.1 323 125 B H < + 0 0 42 -4,-3.0 39,-2.2 -5,-0.3 2,-0.2 0.805 44.8 148.9 53.4 33.2 18.2 -36.6 29.6 324 126 B T > - 0 0 36 37,-0.2 4,-2.6 -5,-0.2 -1,-0.2 -0.640 60.8-123.1 -92.6 154.5 16.5 -35.0 26.5 325 127 B V H > S+ 0 0 8 38,-1.5 4,-2.8 -2,-0.2 5,-0.2 0.922 115.3 55.9 -54.6 -47.9 16.5 -36.4 22.9 326 128 B S H > S+ 0 0 60 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.896 112.0 41.3 -45.9 -48.7 18.1 -33.1 21.8 327 129 B A H > S+ 0 0 11 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.815 110.1 56.9 -77.5 -36.4 21.0 -33.7 24.2 328 130 B H H X S+ 0 0 0 -4,-2.6 4,-3.1 2,-0.2 5,-0.2 0.980 107.7 49.1 -55.0 -51.5 21.2 -37.3 23.5 329 131 B R H X S+ 0 0 36 -4,-2.8 4,-2.2 1,-0.2 5,-0.3 0.892 112.7 47.4 -58.9 -42.4 21.8 -36.4 19.8 330 132 B K H X S+ 0 0 120 -4,-1.8 4,-2.5 1,-0.2 -1,-0.2 0.947 115.3 44.3 -64.1 -48.0 24.5 -33.8 20.6 331 133 B A H X S+ 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108.6 52.4 -55.0 -43.6 -6.5 -76.8 -7.3 700 138 D N H 3< S+ 0 0 5 -4,-2.4 -1,-0.3 -236,-0.3 -229,-0.2 0.634 105.6 57.4 -67.1 -17.8 -4.9 -76.9 -3.9 701 139 D L H << S+ 0 0 37 -3,-1.3 -1,-0.2 -4,-1.1 -2,-0.2 0.691 81.3 107.4 -86.3 -17.9 -7.8 -79.2 -2.7 702 140 D V S << S- 0 0 0 -4,-1.0 -231,-0.2 -3,-0.9 -32,-0.1 -0.265 79.1-100.4 -64.2 144.5 -7.1 -81.9 -5.3 703 141 D S > - 0 0 26 -34,-0.2 3,-2.3 1,-0.2 7,-0.2 -0.313 10.7-130.3 -72.6 146.7 -5.6 -85.1 -4.0 704 142 D F G > S+ 0 0 31 1,-0.3 3,-1.4 2,-0.2 -1,-0.2 0.581 109.7 77.7 -64.1 -11.9 -1.9 -86.0 -4.3 705 143 D E G 3 S+ 0 0 111 1,-0.3 -1,-0.3 2,-0.1 3,-0.2 0.753 98.4 41.5 -65.8 -23.9 -3.5 -89.1 -5.7 706 144 D Y G X> S+ 0 0 45 -3,-2.3 4,-1.9 1,-0.2 3,-0.6 0.092 78.5 144.1-105.3 22.8 -4.0 -87.0 -8.8 707 145 D K H <> + 0 0 154 -3,-1.4 4,-1.5 1,-0.2 -1,-0.2 0.709 67.7 52.3 -29.0 -40.9 -0.5 -85.5 -8.3 708 146 D V H 3> S+ 0 0 91 -3,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.981 111.8 38.7 -66.9 -56.8 -0.0 -85.4 -12.2 709 147 D K H <> S+ 0 0 63 -3,-0.6 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