==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=5-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 17-JUL-01 1JM6 . COMPND 2 MOLECULE: PYRUVATE DEHYDROGENASE KINASE, ISOZYME 2; . SOURCE 2 ORGANISM_SCIENTIFIC: RATTUS NORVEGICUS; . AUTHOR C.N.STEUSSY,K.M.POPOV,M.M.BOWKER-KINLEY,R.B.SLOAN, . 675 10 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 30577.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 489 72.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 16 2.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 66 9.8 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 . 2 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 0.6 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 . 35 5.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 83 12.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 280 41.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 0.4 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 2 2 0 0 2 0 2 2 0 0 0 0 0 3 2 0 1 0 2 2 0 1 1 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 0 0 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 PARALLEL BRIDGES PER LADDER . 4 0 2 0 0 2 2 2 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 . 2 0 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 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 1003 A A 0 0 85 0, 0.0 2,-0.6 0, 0.0 80,-0.1 0.000 360.0 360.0 360.0-167.1 -22.0 10.0 25.2 2 1004 A S > - 0 0 82 1,-0.1 2,-0.7 79,-0.1 3,-0.5 -0.575 360.0-156.8 -66.9 118.4 -23.9 8.3 22.5 3 1005 A L T 3 S+ 0 0 112 -2,-0.6 -1,-0.1 1,-0.2 74,-0.0 -0.503 77.5 67.2 -98.7 63.3 -22.2 5.1 22.3 4 1006 A A T 3 S+ 0 0 79 -2,-0.7 4,-0.5 2,-0.0 -1,-0.2 0.023 89.8 67.1-148.5 -16.5 -23.3 4.0 18.6 5 1007 A G S X> S+ 0 0 2 -3,-0.5 4,-3.0 1,-0.2 3,-1.1 0.797 73.0 93.4 -81.5 -15.6 -21.3 6.6 17.3 6 1008 A A H 3> S+ 0 0 15 1,-0.3 4,-2.4 2,-0.2 5,-0.2 0.738 83.1 53.9 -40.1 -43.4 -18.2 4.8 18.6 7 1009 A P H 3> S+ 0 0 94 0, 0.0 4,-2.3 0, 0.0 -1,-0.3 0.943 114.4 41.4 -53.2 -53.7 -17.7 3.1 15.2 8 1010 A K H <> S+ 0 0 142 -3,-1.1 4,-1.3 -4,-0.5 -2,-0.2 0.912 110.9 57.4 -62.2 -46.4 -17.9 6.4 13.5 9 1011 A Y H >X S+ 0 0 58 -4,-3.0 4,-2.4 1,-0.2 3,-0.6 0.941 111.1 41.5 -53.5 -50.8 -15.7 8.0 16.2 10 1012 A I H 3X S+ 0 0 16 -4,-2.4 4,-3.1 1,-0.2 5,-0.2 0.917 108.7 57.8 -65.6 -44.8 -12.7 5.5 15.6 11 1013 A E H 3< S+ 0 0 79 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.795 113.2 44.2 -52.7 -28.2 -13.0 5.5 11.9 12 1014 A H H X< S+ 0 0 91 -4,-1.3 3,-1.0 -3,-0.6 -2,-0.2 0.924 119.0 35.9 -84.6 -54.8 -12.4 9.3 12.2 13 1015 A F H >< S+ 0 0 8 -4,-2.4 3,-1.4 1,-0.3 -2,-0.2 0.771 110.8 65.2 -72.5 -21.4 -9.6 9.5 14.8 14 1016 A S T 3< S+ 0 0 22 -4,-3.1 -1,-0.3 -5,-0.3 -2,-0.2 0.724 88.5 68.5 -70.6 -16.9 -8.1 6.4 13.3 15 1017 A K T < S+ 0 0 161 -3,-1.0 2,-0.3 -5,-0.2 -1,-0.3 0.621 93.4 75.9 -76.8 -8.9 -7.6 8.4 10.1 16 1018 A F S < S- 0 0 87 -3,-1.4 -3,-0.0 -4,-0.2 35,-0.0 -0.681 77.7-131.3-101.9 158.7 -5.0 10.4 12.1 17 1019 A S - 0 0 55 -2,-0.3 326,-0.1 326,-0.2 31,-0.1 -0.852 30.5 -96.7-109.6 141.2 -1.5 9.3 13.0 18 1020 A P - 0 0 15 0, 0.0 -1,-0.1 0, 0.0 322,-0.1 -0.122 30.8-141.3 -46.2 143.6 0.1 9.5 16.4 19 1021 A S - 0 0 46 25,-0.1 29,-0.0 2,-0.0 319,-0.0 -0.883 16.4-141.6-118.5 100.8 2.3 12.6 17.0 20 1022 A P - 0 0 38 0, 0.0 2,-0.4 0, 0.0 319,-0.0 -0.270 9.1-143.0 -61.1 139.2 5.4 11.7 19.0 21 1023 A L - 0 0 12 318,-0.0 317,-1.1 4,-0.0 2,-0.1 -0.891 11.1-135.8-104.3 138.5 6.6 14.2 21.6 22 1024 A S B > -A 337 0A 28 -2,-0.4 4,-2.3 315,-0.2 315,-0.2 -0.340 30.0-105.2 -75.3 172.0 10.3 14.7 22.2 23 1025 A M H > S+ 0 0 0 313,-1.5 4,-2.6 310,-0.6 5,-0.2 0.897 123.9 52.5 -68.9 -30.0 11.7 14.9 25.8 24 1026 A K H > S+ 0 0 106 309,-0.3 4,-1.7 2,-0.2 -1,-0.2 0.852 106.7 50.3 -77.9 -21.3 12.0 18.6 25.2 25 1027 A Q H 4 S+ 0 0 110 1,-0.2 -1,-0.2 2,-0.2 -2,-0.2 0.922 115.1 43.4 -80.3 -33.9 8.6 18.9 24.2 26 1028 A F H < S+ 0 0 4 -4,-2.3 3,-0.3 1,-0.2 -2,-0.2 0.802 114.2 51.2 -67.7 -38.9 7.6 16.9 27.4 27 1029 A L H >< S+ 0 0 33 -4,-2.6 2,-1.8 1,-0.2 3,-0.6 0.796 92.9 75.6 -71.3 -36.4 10.0 18.9 29.6 28 1030 A D T 3< + 0 0 118 -4,-1.7 -1,-0.2 1,-0.2 -4,-0.1 -0.251 63.9 92.1 -79.8 52.9 8.8 22.3 28.4 29 1031 A F T 3 0 0 39 -2,-1.8 -1,-0.2 -3,-0.3 -2,-0.1 0.134 360.0 360.0-120.2 14.2 5.5 22.4 30.4 30 1032 A G < 0 0 81 -3,-0.6 -2,-0.1 135,-0.1 3,-0.0 0.662 360.0 360.0 64.7 360.0 7.3 24.2 33.5 31 ! 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 32 1036 A A 0 0 76 0, 0.0 2,-0.2 0, 0.0 -3,-0.2 0.000 360.0 360.0 360.0 -86.0 4.1 25.4 29.0 33 1037 A C > - 0 0 55 1,-0.2 4,-1.5 -3,-0.0 5,-0.1 -0.980 360.0-106.7-171.3 167.6 0.4 25.8 30.1 34 1038 A E H >> S+ 0 0 49 -2,-0.2 4,-2.4 2,-0.2 3,-1.0 0.997 118.4 53.9 -70.0 -63.4 -3.0 23.8 30.9 35 1039 A K H 3> S+ 0 0 96 1,-0.3 4,-2.2 2,-0.2 5,-0.2 0.806 110.2 53.6 -40.4 -25.3 -4.9 25.0 27.7 36 1040 A T H 3> S+ 0 0 50 1,-0.2 4,-1.4 2,-0.2 5,-0.3 0.944 110.2 43.2 -72.2 -47.9 -1.7 23.6 26.0 37 1041 A S H X S+ 0 0 58 -4,-1.4 4,-2.6 -5,-0.2 3,-1.0 0.845 116.6 52.7 -86.2 -41.6 -3.6 19.0 22.5 41 1045 A L H 3X S+ 0 0 5 -4,-1.0 4,-2.2 -5,-0.3 -2,-0.2 0.891 100.5 62.1 -64.9 -39.2 -4.6 16.1 24.8 42 1046 A R H 3< S+ 0 0 55 -4,-3.8 -1,-0.2 1,-0.2 -2,-0.1 0.630 118.2 28.5 -67.6 -8.1 -8.3 16.4 23.8 43 1047 A Q H <> S+ 0 0 70 -3,-1.0 4,-1.3 -5,-0.3 -1,-0.2 0.679 119.9 53.5-111.7 -36.6 -7.4 15.5 20.2 44 1048 A E H X S+ 0 0 14 -4,-2.6 4,-2.5 2,-0.2 -3,-0.2 0.915 106.3 49.2 -69.3 -47.1 -4.2 13.4 20.7 45 1049 A L H X S+ 0 0 4 -4,-2.2 4,-3.9 2,-0.2 5,-0.3 0.916 110.5 50.4 -65.4 -43.7 -5.6 10.9 23.2 46 1050 A P H > S+ 0 0 1 0, 0.0 4,-2.5 0, 0.0 -1,-0.2 0.865 112.1 50.3 -59.9 -32.9 -8.7 10.1 21.0 47 1051 A V H X S+ 0 0 3 -4,-1.3 4,-1.5 2,-0.2 -2,-0.2 0.933 114.7 41.9 -69.0 -43.7 -6.3 9.7 18.2 48 1052 A R H X S+ 0 0 7 -4,-2.5 4,-1.6 2,-0.2 -3,-0.2 0.915 117.4 46.5 -71.3 -42.8 -4.1 7.3 20.2 49 1053 A L H X S+ 0 0 8 -4,-3.9 4,-1.8 1,-0.2 5,-0.3 0.935 112.6 48.6 -67.7 -46.8 -7.1 5.4 21.7 50 1054 A A H X S+ 0 0 0 -4,-2.5 4,-1.4 -5,-0.3 -1,-0.2 0.858 108.5 56.4 -65.1 -28.0 -9.0 4.9 18.4 51 1055 A N H X S+ 0 0 40 -4,-1.5 4,-0.8 -5,-0.2 -1,-0.2 0.944 113.5 37.6 -62.8 -47.5 -5.8 3.7 16.7 52 1056 A I H X S+ 0 0 5 -4,-1.6 4,-0.6 1,-0.2 -1,-0.2 0.673 111.9 56.5 -84.0 -16.7 -5.3 0.9 19.1 53 1057 A M H X S+ 0 0 12 -4,-1.8 4,-0.8 2,-0.2 3,-0.5 0.845 101.3 60.6 -76.9 -26.5 -8.9 0.0 19.5 54 1058 A K H < S+ 0 0 71 -4,-1.4 3,-0.5 1,-0.3 -2,-0.2 0.858 105.7 46.7 -62.2 -34.7 -8.9 -0.5 15.8 55 1059 A E H >< S+ 0 0 36 -4,-0.8 3,-0.7 1,-0.2 -1,-0.3 0.617 101.8 68.1 -81.2 -18.0 -6.2 -3.2 16.3 56 1060 A I H >< S+ 0 0 5 -4,-0.6 3,-0.5 -3,-0.5 -1,-0.2 0.679 97.2 48.8 -78.5 -23.4 -8.3 -4.7 19.1 57 1061 A N T 3< S+ 0 0 106 -4,-0.8 -1,-0.2 -3,-0.5 -2,-0.1 0.207 101.5 72.0 -95.8 22.7 -11.1 -5.8 16.8 58 1062 A L T < S+ 0 0 116 -3,-0.7 -2,-0.2 -5,-0.2 -1,-0.2 0.525 76.6 109.4-102.6 -8.6 -8.2 -7.2 14.8 59 1063 A L S < S- 0 0 11 -3,-0.5 2,-0.1 1,-0.2 75,-0.1 -0.253 85.4 -77.8 -69.4 157.6 -7.6 -10.0 17.3 60 1064 A P >> - 0 0 47 0, 0.0 4,-2.8 0, 0.0 3,-2.4 -0.290 38.5-125.5 -52.6 126.2 -8.2 -13.6 16.8 61 1065 A D H 3> S+ 0 0 127 1,-0.3 4,-0.6 2,-0.2 -2,-0.1 0.652 111.3 58.7 -52.2 -19.5 -11.8 -14.3 17.2 62 1066 A R H 34 S+ 0 0 141 2,-0.1 -1,-0.3 3,-0.1 -3,-0.0 0.698 116.6 31.7 -84.6 -22.9 -10.9 -17.0 19.9 63 1067 A V H X4 S+ 0 0 1 -3,-2.4 3,-0.6 2,-0.1 6,-0.3 0.664 113.4 62.5-100.4 -30.8 -9.0 -14.3 22.2 64 1068 A L H 3< S+ 0 0 27 -4,-2.8 -3,-0.2 1,-0.2 -2,-0.1 0.830 102.7 50.6 -60.3 -36.4 -11.3 -11.4 21.2 65 1069 A S T 3< S+ 0 0 77 -4,-0.6 -1,-0.2 -5,-0.3 -2,-0.1 0.580 83.8 114.1 -82.0 -15.6 -14.2 -13.3 22.7 66 1070 A T S <> S- 0 0 4 -3,-0.6 4,-1.3 55,-0.1 5,-0.2 -0.258 73.5-127.6 -54.5 147.6 -12.4 -13.9 26.0 67 1071 A P H >> S+ 0 0 80 0, 0.0 4,-3.2 0, 0.0 3,-0.7 0.959 107.9 53.8 -63.1 -51.7 -14.0 -12.1 28.9 68 1072 A S H 3> S+ 0 0 20 1,-0.3 4,-2.3 2,-0.2 5,-0.2 0.862 105.9 56.9 -51.6 -39.7 -10.9 -10.3 30.1 69 1073 A V H 3> S+ 0 0 5 -6,-0.3 4,-1.6 2,-0.2 -1,-0.3 0.853 109.6 42.9 -60.2 -41.7 -10.4 -9.0 26.5 70 1074 A Q H XX S+ 0 0 103 -4,-1.3 4,-3.8 -3,-0.7 3,-0.8 0.965 104.3 62.4 -74.9 -50.1 -13.6 -7.4 26.4 71 1075 A L H 3X S+ 0 0 70 -4,-3.2 4,-1.8 1,-0.3 -2,-0.2 0.914 108.8 43.9 -35.7 -57.3 -13.4 -6.0 29.7 72 1076 A V H 3X S+ 0 0 0 -4,-2.3 4,-1.8 1,-0.2 -1,-0.3 0.826 113.2 50.7 -64.1 -28.2 -10.4 -4.1 28.5 73 1077 A Q H X S+ 0 0 35 -4,-1.8 4,-1.7 -5,-0.4 3,-0.5 0.948 107.6 50.9 -65.6 -48.8 -12.7 0.4 29.2 76 1080 A Y H 3< S+ 0 0 4 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.743 106.0 53.9 -62.2 -27.8 -11.3 1.9 26.0 77 1081 A V H 3X S+ 0 0 31 -4,-1.6 4,-0.8 1,-0.2 3,-0.4 0.778 113.2 44.7 -77.5 -26.9 -14.9 2.7 24.5 78 1082 A Q H S+ 0 0 3 -3,-0.4 4,-1.2 -5,-0.1 -1,-0.2 0.500 113.3 47.5-125.3 -34.1 -12.8 7.8 24.3 81 1085 A L H >X S+ 0 0 3 -4,-0.8 4,-1.9 2,-0.2 3,-0.7 0.948 108.4 54.8 -71.7 -47.1 -16.2 9.0 24.9 82 1086 A D H 3< S+ 0 0 30 -4,-2.3 4,-0.2 1,-0.3 -1,-0.2 0.864 111.9 43.2 -56.4 -36.9 -15.3 10.5 28.2 83 1087 A I H >4 S+ 0 0 2 1,-0.2 3,-0.9 2,-0.2 -1,-0.3 0.763 109.7 60.4 -78.3 -23.3 -12.5 12.6 26.6 84 1088 A M H X< S+ 0 0 26 -4,-1.2 3,-0.8 -3,-0.7 -2,-0.2 0.652 87.6 73.2 -76.7 -24.0 -15.0 13.4 23.5 85 1089 A E T 3< S+ 0 0 89 -4,-1.9 -1,-0.3 1,-0.2 4,-0.2 0.812 98.8 48.7 -56.2 -25.6 -17.3 15.0 26.0 86 1090 A F T < S+ 0 0 2 -3,-0.9 -1,-0.2 -5,-0.2 -2,-0.2 0.400 76.0 99.0 -96.5 -2.8 -14.6 17.7 26.0 87 1091 A L S < S+ 0 0 62 -3,-0.8 -1,-0.2 1,-0.2 -2,-0.1 0.342 96.7 33.0 -72.2 13.1 -14.0 18.4 22.2 88 1092 A D S S+ 0 0 134 -3,-0.2 -1,-0.2 -4,-0.0 -2,-0.1 0.525 89.6 112.5-141.7 -25.6 -16.2 21.5 22.3 89 1093 A K S S- 0 0 59 -4,-0.2 -3,-0.0 -3,-0.2 -4,-0.0 -0.124 78.6 -93.4 -55.3 151.5 -15.8 23.0 25.8 90 1094 A D > - 0 0 91 1,-0.2 3,-1.4 2,-0.1 6,-0.2 -0.538 24.9-154.8 -64.7 99.1 -14.1 26.5 26.4 91 1095 A P T 3 S+ 0 0 22 0, 0.0 -56,-0.2 0, 0.0 -1,-0.2 0.672 87.1 72.5 -48.9 -9.2 -10.4 25.8 27.2 92 1096 A E T 3 S+ 0 0 144 4,-0.1 2,-0.4 -57,-0.1 3,-0.1 0.091 76.3 84.4 -98.6 19.6 -10.6 29.2 29.2 93 1097 A D S <> S- 0 0 70 -3,-1.4 4,-1.5 1,-0.2 3,-0.5 -0.959 78.1-122.9-122.2 147.5 -12.7 28.4 32.4 94 1098 A H H >> S+ 0 0 164 -2,-0.4 4,-2.2 1,-0.2 3,-0.5 0.897 109.6 47.0 -44.3 -60.8 -11.4 27.0 35.6 95 1099 A R H 3> S+ 0 0 191 2,-0.2 4,-2.8 1,-0.2 5,-0.4 0.857 101.6 61.2 -60.1 -33.2 -13.8 24.0 35.6 96 1100 A T H 3> S+ 0 0 4 -3,-0.5 4,-1.8 1,-0.2 -1,-0.2 0.973 115.0 41.2 -50.6 -43.4 -13.2 22.9 31.8 97 1101 A L H < S+ 0 0 91 -4,-1.4 3,-1.5 -5,-0.2 -2,-0.2 0.891 111.1 55.7 -83.3 -37.9 -7.5 4.5 37.5 110 1114 A R H 3< S+ 0 0 61 -4,-2.5 3,-0.5 1,-0.3 -2,-0.2 0.855 110.1 44.2 -57.4 -40.0 -9.8 2.6 35.3 111 1115 A H T >< S+ 0 0 18 -4,-1.8 3,-1.8 1,-0.2 -1,-0.3 0.194 77.0 111.4 -93.5 16.4 -7.1 1.0 33.2 112 1116 A N T < S+ 0 0 74 -3,-1.5 -1,-0.2 1,-0.3 3,-0.2 0.678 82.6 43.3 -71.7 -13.1 -4.7 0.1 36.0 113 1117 A D T 3> S+ 0 0 102 -3,-0.5 4,-1.5 -4,-0.2 -1,-0.3 0.066 75.4 119.4-113.8 32.6 -5.3 -3.6 35.5 114 1118 A V H <> S+ 0 0 0 -3,-1.8 4,-2.6 1,-0.2 5,-0.2 0.877 79.6 42.6 -64.4 -29.4 -5.2 -3.6 31.7 115 1119 A V H > S+ 0 0 13 -4,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.912 112.7 47.4 -86.6 -43.2 -2.2 -6.0 31.7 116 1120 A P H > S+ 0 0 69 0, 0.0 4,-0.7 0, 0.0 -1,-0.2 0.772 120.2 45.9 -63.8 -23.0 -3.2 -8.6 34.4 117 1121 A T H X S+ 0 0 16 -4,-1.5 4,-1.1 2,-0.2 3,-0.3 0.904 113.6 43.5 -85.0 -51.0 -6.6 -8.5 32.5 118 1122 A M H >X S+ 0 0 3 -4,-2.6 4,-0.9 -5,-0.3 3,-0.7 0.907 111.0 59.0 -59.2 -36.1 -5.2 -8.8 29.0 119 1123 A A H 3X S+ 0 0 19 -4,-2.7 4,-1.7 1,-0.3 3,-0.3 0.863 103.6 50.5 -60.1 -30.7 -2.9 -11.4 30.5 120 1124 A Q H 3X S+ 0 0 90 -4,-0.7 4,-1.0 -3,-0.3 -1,-0.3 0.695 106.9 55.0 -80.3 -20.9 -6.2 -13.4 31.6 121 1125 A G H << S+ 0 0 0 -4,-1.1 -1,-0.2 -3,-0.7 -2,-0.2 0.613 113.5 41.9 -83.7 -18.0 -7.5 -13.1 28.0 122 1126 A V H < S+ 0 0 22 -4,-0.9 -2,-0.2 -3,-0.3 -3,-0.2 0.771 113.9 50.4-103.1 -14.0 -4.3 -14.7 26.8 123 1127 A L H < S+ 0 0 95 -4,-1.7 2,-0.7 1,-0.3 -3,-0.1 0.857 111.9 46.5 -80.2 -41.2 -4.0 -17.4 29.5 124 1128 A E < 0 0 78 -4,-1.0 -1,-0.3 -5,-0.1 -58,-0.0 -0.967 360.0 360.0-101.4 104.7 -7.4 -18.7 29.2 125 1129 A Y 0 0 59 -2,-0.7 -62,-0.1 -3,-0.1 -3,-0.1 -0.795 360.0 360.0-164.7 360.0 -7.5 -19.0 25.4 126 ! 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 0.0 127 1136 A D 0 0 89 0, 0.0 -65,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 73.4 -8.0 -23.8 22.9 128 1137 A P - 0 0 102 0, 0.0 2,-0.4 0, 0.0 0, 0.0 0.524 360.0 -52.3 -55.2-172.7 -4.4 -24.1 21.5 129 1138 A V + 0 0 102 1,-0.1 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-2,-0.2 0.694 94.4 73.5 -79.4 -18.6 19.4 -28.2 -10.5 361 1018 B F S < S- 0 0 89 -3,-0.6 -3,-0.0 -4,-0.4 0, 0.0 -0.448 80.0-126.0 -90.5 166.7 20.5 -30.3 -7.6 362 1019 B S - 0 0 91 -2,-0.1 31,-0.1 322,-0.1 322,-0.1 -0.920 26.6-105.3-114.5 140.9 20.7 -29.2 -4.0 363 1020 B P - 0 0 19 0, 0.0 319,-0.1 0, 0.0 26,-0.0 -0.198 27.4-142.5 -52.8 150.4 23.7 -29.4 -1.7 364 1021 B S - 0 0 55 25,-0.0 2,-0.1 2,-0.0 316,-0.1 -0.898 13.2-143.5-122.8 103.4 23.7 -32.2 0.9 365 1022 B P - 0 0 61 0, 0.0 2,-0.3 0, 0.0 316,-0.1 -0.380 13.8-137.5 -64.2 136.9 25.2 -31.2 4.2 366 1023 B L - 0 0 13 -2,-0.1 314,-2.3 315,-0.1 2,-0.1 -0.712 13.9-120.8 -96.8 145.5 27.1 -33.9 6.1 367 1024 B S B >> -H 679 0E 21 -2,-0.3 4,-1.5 312,-0.3 3,-1.5 -0.403 29.0-109.7 -76.8 159.9 26.9 -34.5 9.8 368 1025 B M H 3> S+ 0 0 0 310,-2.1 4,-1.7 307,-0.5 5,-0.1 0.857 122.8 54.4 -60.6 -27.1 30.1 -34.2 12.0 369 1026 B K H 3> S+ 0 0 99 306,-0.3 4,-0.6 2,-0.2 -1,-0.3 0.661 102.4 56.7 -81.2 -11.9 29.8 -38.0 12.3 370 1027 B Q H <4 S+ 0 0 102 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2,-0.2 5,-0.2 0.879 105.8 51.3 -48.4 -40.9 36.1 -44.7 -3.4 381 1040 B T H > S+ 0 0 57 2,-0.2 4,-1.7 1,-0.2 5,-0.3 0.974 112.2 46.5 -61.4 -47.5 33.1 -43.6 -1.4 382 1041 B S H >X S+ 0 0 4 -4,-1.5 4,-4.2 1,-0.2 3,-0.8 0.972 114.0 46.6 -54.3 -59.2 34.7 -40.1 -1.1 383 1042 B F H 3X S+ 0 0 0 -4,-2.8 4,-2.4 1,-0.2 -1,-0.2 0.894 113.5 49.7 -49.6 -43.7 35.7 -39.9 -4.7 384 1043 B T H 3< S+ 0 0 61 -4,-2.6 -1,-0.2 -5,-0.4 -2,-0.2 0.767 118.4 37.6 -73.4 -23.8 32.2 -41.1 -5.8 385 1044 B F H XX S+ 0 0 59 -4,-1.7 4,-3.4 -3,-0.8 3,-0.7 0.798 116.0 52.1 -92.3 -40.2 30.4 -38.5 -3.6 386 1045 B L H 3X S+ 0 0 4 -4,-4.2 4,-2.5 -5,-0.3 -2,-0.2 0.925 103.6 57.1 -65.7 -41.5 32.9 -35.7 -4.1 387 1046 B R H 3< S+ 0 0 38 -4,-2.4 -1,-0.2 -5,-0.3 -2,-0.1 0.633 119.2 33.2 -69.9 -7.9 32.7 -35.9 -7.9 388 1047 B Q H <> S+ 0 0 72 -3,-0.7 4,-1.3 -5,-0.1 -2,-0.2 0.731 122.9 44.4-104.7 -41.5 28.9 -35.4 -7.7 389 1048 B E H X S+ 0 0 12 -4,-3.4 4,-2.3 2,-0.2 5,-0.3 0.949 108.6 54.9 -70.9 -48.6 28.8 -33.1 -4.7 390 1049 B L H X S+ 0 0 1 -4,-2.5 4,-2.4 1,-0.3 5,-0.2 0.915 110.2 45.2 -55.4 -50.7 31.7 -30.7 -5.6 391 1050 B P H > S+ 0 0 0 0, 0.0 4,-2.6 0, 0.0 5,-0.3 0.880 110.9 56.3 -60.6 -34.5 30.2 -29.8 -9.0 392 1051 B V H X S+ 0 0 2 -4,-1.3 4,-1.5 1,-0.2 -2,-0.2 0.945 111.4 40.8 -63.1 -46.9 26.8 -29.4 -7.4 393 1052 B R H X S+ 0 0 5 -4,-2.3 4,-1.9 2,-0.2 5,-0.2 0.859 116.7 50.6 -70.6 -36.4 28.0 -26.8 -4.9 394 1053 B L H X S+ 0 0 6 -4,-2.4 4,-3.0 -5,-0.3 3,-0.4 0.998 111.8 44.4 -62.4 -63.9 30.2 -25.0 -7.4 395 1054 B A H X S+ 0 0 0 -4,-2.6 4,-1.5 1,-0.2 -1,-0.2 0.805 111.8 57.2 -52.7 -31.1 27.6 -24.7 -10.1 396 1055 B N H < S+ 0 0 8 -4,-1.5 -1,-0.2 -5,-0.3 -2,-0.2 0.943 113.9 35.2 -67.0 -47.5 25.1 -23.5 -7.4 397 1056 B I H >X S+ 0 0 3 -4,-1.9 4,-1.4 -3,-0.4 3,-1.1 0.813 114.3 57.5 -77.9 -30.3 27.3 -20.6 -6.2 398 1057 B M H 3X S+ 0 0 5 -4,-3.0 4,-1.0 1,-0.3 -1,-0.2 0.856 99.1 60.4 -67.1 -31.8 28.6 -19.8 -9.7 399 1058 B K H 3< S+ 0 0 83 -4,-1.5 -1,-0.3 -5,-0.3 -2,-0.2 0.633 108.1 45.4 -69.5 -11.1 25.0 -19.3 -10.9 400 1059 B E H X> S+ 0 0 22 -3,-1.1 3,-0.9 -4,-0.2 4,-0.6 0.649 96.2 71.7-103.9 -25.0 24.7 -16.6 -8.3 401 1060 B I H >< S+ 0 0 6 -4,-1.4 3,-0.6 1,-0.3 -2,-0.2 0.848 101.5 48.1 -53.6 -34.7 28.0 -15.0 -9.1 402 1061 B N T 3< S+ 0 0 86 -4,-1.0 -1,-0.3 1,-0.2 -2,-0.2 0.637 96.7 69.5 -85.3 -9.6 26.2 -13.9 -12.2 403 1062 B L T <4 S+ 0 0 124 -3,-0.9 -1,-0.2 -5,-0.1 -2,-0.2 0.604 82.9 106.7 -78.0 -10.5 23.3 -12.7 -10.2 404 1063 B L S << S- 0 0 16 -3,-0.6 2,-0.1 -4,-0.6 -3,-0.0 -0.171 87.7 -84.0 -58.9 158.8 25.7 -10.0 -9.0 405 1064 B P >> - 0 0 66 0, 0.0 4,-2.2 0, 0.0 3,-0.8 -0.423 33.2-120.2 -66.6 140.2 25.4 -6.4 -10.3 406 1065 B D H 3> S+ 0 0 141 1,-0.2 4,-1.1 2,-0.2 -2,-0.1 0.788 111.5 62.9 -48.4 -32.0 27.0 -5.7 -13.7 407 1066 B R H 34 S+ 0 0 228 1,-0.2 -1,-0.2 2,-0.1 -3,-0.0 0.913 113.1 27.6 -60.7 -50.3 29.1 -3.1 -11.8 408 1067 B V H X4 S+ 0 0 21 -3,-0.8 3,-1.0 1,-0.1 6,-0.4 0.786 115.4 59.1 -90.1 -28.0 31.0 -5.5 -9.5 409 1068 B L H 3< S+ 0 0 23 -4,-2.2 6,-0.3 1,-0.3 -3,-0.2 0.836 99.8 59.6 -66.5 -38.2 30.9 -8.8 -11.6 410 1069 B S T 3< S+ 0 0 65 -4,-1.1 -1,-0.3 -5,-0.3 -2,-0.1 0.221 82.0 113.9 -76.7 12.0 32.8 -7.0 -14.3 411 1070 B T S <> S- 0 0 10 -3,-1.0 4,-3.5 1,-0.1 3,-0.4 -0.748 72.7-132.0 -88.1 135.1 35.6 -6.3 -11.8 412 1071 B P H > S+ 0 0 88 0, 0.0 4,-1.9 0, 0.0 5,-0.1 0.825 107.5 54.7 -56.0 -34.5 38.8 -8.1 -12.7 413 1072 B S H > S+ 0 0 22 2,-0.2 4,-1.7 3,-0.2 53,-0.1 0.922 115.1 39.7 -64.2 -43.8 39.2 -9.4 -9.1 414 1073 B V H > S+ 0 0 3 -3,-0.4 4,-2.7 -6,-0.4 3,-0.2 0.961 116.2 48.0 -68.3 -55.8 35.7 -10.9 -9.3 415 1074 B Q H X S+ 0 0 86 -4,-3.5 4,-2.0 -6,-0.3 -2,-0.2 0.827 110.5 56.2 -57.3 -29.6 36.0 -12.2 -12.9 416 1075 B L H X S+ 0 0 79 -4,-1.9 4,-1.3 -5,-0.4 -1,-0.2 0.907 107.6 45.8 -68.8 -43.6 39.3 -13.6 -11.8 417 1076 B V H X S+ 0 0 2 -4,-1.7 4,-1.9 -3,-0.2 -2,-0.2 0.911 111.4 53.7 -62.4 -39.5 37.7 -15.6 -9.0 418 1077 B Q H X S+ 0 0 43 -4,-2.7 4,-2.4 1,-0.2 -2,-0.2 0.918 102.7 56.1 -64.5 -40.9 35.0 -16.8 -11.4 419 1078 B S H X S+ 0 0 67 -4,-2.0 4,-2.0 1,-0.2 -1,-0.2 0.854 105.9 53.7 -56.6 -37.2 37.6 -18.0 -13.9 420 1079 B W H X S+ 0 0 50 -4,-1.3 4,-2.9 -3,-0.2 -1,-0.2 0.940 107.5 48.4 -61.7 -50.3 38.9 -20.2 -11.1 421 1080 B Y H X S+ 0 0 1 -4,-1.9 4,-3.2 1,-0.2 5,-0.2 0.891 109.7 52.7 -60.8 -42.7 35.6 -21.8 -10.3 422 1081 B V H X S+ 0 0 31 -4,-2.4 4,-2.4 2,-0.2 -1,-0.2 0.942 112.6 44.9 -55.0 -50.2 35.0 -22.5 -14.0 423 1082 B Q H X S+ 0 0 50 -4,-2.0 4,-2.6 2,-0.2 -2,-0.2 0.894 112.7 50.6 -64.7 -41.4 38.4 -24.3 -14.2 424 1083 B S H X S+ 0 0 0 -4,-2.9 4,-2.4 2,-0.2 5,-0.3 0.954 110.6 49.5 -63.0 -46.3 37.8 -26.1 -10.9 425 1084 B L H X S+ 0 0 2 -4,-3.2 4,-2.1 1,-0.2 -2,-0.2 0.934 113.5 46.5 -55.1 -45.3 34.4 -27.3 -12.1 426 1085 B L H X S+ 0 0 1 -4,-2.4 4,-0.7 -5,-0.2 -80,-0.2 0.866 110.0 53.6 -69.2 -35.1 36.0 -28.5 -15.4 427 1086 B D H >< S+ 0 0 15 -4,-2.6 3,-0.7 1,-0.2 4,-0.3 0.919 112.9 42.8 -60.5 -47.7 38.8 -30.2 -13.6 428 1087 B I H >< S+ 0 0 4 -4,-2.4 3,-2.1 1,-0.2 -2,-0.2 0.877 103.7 66.7 -67.9 -36.8 36.5 -32.2 -11.4 429 1088 B M H >< S+ 0 0 28 -4,-2.1 3,-1.6 1,-0.3 -1,-0.2 0.735 86.0 71.0 -60.4 -24.6 34.1 -33.0 -14.3 430 1089 B E G X< S+ 0 0 85 -4,-0.7 3,-0.6 -3,-0.7 -1,-0.3 0.736 92.3 57.9 -63.6 -25.8 36.8 -35.1 -15.9 431 1090 B F G X S+ 0 0 14 -3,-2.1 3,-0.9 -4,-0.3 -1,-0.3 0.339 76.8 97.8 -88.4 8.8 36.4 -37.8 -13.2 432 1091 B L G < S+ 0 0 56 -3,-1.6 -1,-0.2 1,-0.2 -2,-0.1 0.719 95.8 26.6 -71.0 -18.4 32.7 -38.2 -14.0 433 1092 B D G < S+ 0 0 142 -3,-0.6 2,-0.3 -4,-0.2 -1,-0.2 0.024 94.2 113.7-134.0 31.2 33.3 -41.3 -16.2 434 1093 B K S < S- 0 0 61 -3,-0.9 4,-0.0 7,-0.1 -3,-0.0 -0.833 78.0 -92.5-106.1 148.1 36.5 -42.7 -14.8 435 1094 B D > - 0 0 85 -2,-0.3 3,-2.3 1,-0.2 6,-0.3 -0.383 27.9-162.2 -63.0 104.4 36.7 -46.1 -13.0 436 1095 B P T 3 S+ 0 0 32 0, 0.0 -1,-0.2 0, 0.0 6,-0.1 0.841 91.8 60.0 -53.6 -34.9 36.2 -45.6 -9.2 437 1096 B E T 3 S+ 0 0 120 4,-0.1 2,-0.5 -57,-0.0 -2,-0.1 0.372 88.5 101.4 -76.0 6.2 37.7 -49.1 -8.7 438 1097 B D <> - 0 0 70 -3,-2.3 4,-1.4 1,-0.1 3,-0.2 -0.849 68.6-143.7-109.8 128.1 40.9 -47.9 -10.4 439 1098 B H H > S+ 0 0 174 -2,-0.5 4,-1.6 1,-0.2 5,-0.2 0.815 98.6 49.4 -53.8 -44.1 44.0 -47.0 -8.5 440 1099 B R H > S+ 0 0 179 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.901 103.6 58.4 -68.0 -44.8 45.0 -44.2 -10.8 441 1100 B T H > S+ 0 0 0 -6,-0.3 4,-1.5 1,-0.2 -1,-0.2 0.877 108.1 47.1 -56.0 -42.1 41.7 -42.4 -10.9 442 1101 B L H X S+ 0 0 10 -4,-1.4 4,-2.3 1,-0.2 3,-0.3 0.953 113.2 44.7 -67.6 -50.8 41.7 -42.0 -7.1 443 1102 B S H X S+ 0 0 65 -4,-1.6 4,-0.8 1,-0.2 -1,-0.2 0.662 112.9 55.1 -70.4 -12.2 45.2 -40.6 -6.8 444 1103 B Q H X S+ 0 0 81 -4,-1.5 4,-1.8 2,-0.2 -1,-0.2 0.804 105.5 51.8 -82.8 -35.5 44.4 -38.4 -9.8 445 1104 B F H X S+ 0 0 1 -4,-1.5 4,-2.6 -3,-0.3 5,-0.2 0.946 111.3 44.7 -65.7 -50.9 41.4 -37.0 -8.0 446 1105 B T H X S+ 0 0 11 -4,-2.3 4,-1.5 1,-0.2 -1,-0.2 0.876 111.6 55.6 -62.4 -33.3 43.4 -36.1 -4.8 447 1106 B D H X S+ 0 0 111 -4,-0.8 4,-1.0 -5,-0.2 -1,-0.2 0.873 111.6 44.6 -62.0 -38.8 46.1 -34.6 -7.3 448 1107 B A H X S+ 0 0 16 -4,-1.8 4,-2.1 2,-0.2 -2,-0.2 0.850 108.3 55.1 -72.3 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