==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-APR-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE/TRANSFERASE INHIBITOR 21-APR-12 3VS5 . COMPND 2 MOLECULE: TYROSINE-PROTEIN KINASE HCK; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR M.KURATANI,Y.TOMABECHI,N.HANDA,S.YOKOYAMA . 858 6 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 41743.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 546 63.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 24 2.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 152 17.7 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 3 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 8 0.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 0.5 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 . 58 6.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 100 11.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 179 20.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 0.8 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 1 3 0 3 4 3 2 0 0 0 0 2 0 0 0 2 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 9 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 PARALLEL BRIDGES PER LADDER . 6 1 7 5 4 0 2 3 1 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 1 2 1 5 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 85 A R 0 0 209 0, 0.0 2,-0.4 0, 0.0 28,-0.1 0.000 360.0 360.0 360.0 107.7 38.4 -1.2 20.5 2 86 A I - 0 0 63 26,-0.4 26,-1.9 54,-0.0 2,-0.4 -0.905 360.0-163.8-116.6 136.0 35.0 -3.0 21.3 3 87 A I E -A 27 0A 56 -2,-0.4 54,-1.7 24,-0.2 2,-0.2 -0.978 7.7-176.5-126.5 126.3 33.8 -6.3 19.9 4 88 A V E -AB 26 56A 1 22,-2.4 22,-2.0 -2,-0.4 2,-0.4 -0.669 14.4-139.3-113.0 168.6 30.2 -7.6 19.9 5 89 A V E -AB 25 55A 26 50,-2.3 50,-1.1 20,-0.2 2,-0.4 -0.985 24.6-109.1-132.3 141.1 28.6 -10.9 18.8 6 90 A A E - B 0 54A 3 18,-2.5 17,-2.1 -2,-0.4 48,-0.2 -0.553 24.3-173.0 -73.0 123.8 25.3 -11.5 17.0 7 91 A L S S+ 0 0 26 46,-3.5 2,-0.3 -2,-0.4 -1,-0.2 0.761 71.2 16.3 -86.0 -28.1 22.6 -13.1 19.3 8 92 A Y S S- 0 0 55 45,-0.8 2,-0.2 13,-0.1 15,-0.1 -0.882 87.8 -90.5-136.9 167.3 20.1 -13.6 16.5 9 93 A D - 0 0 84 -2,-0.3 2,-0.3 12,-0.1 12,-0.2 -0.561 43.2-171.6 -72.4 144.7 19.9 -13.7 12.7 10 94 A Y B -F 20 0B 10 10,-2.5 10,-1.9 -2,-0.2 2,-0.5 -0.989 12.4-154.3-140.9 135.3 19.1 -10.3 11.2 11 95 A E - 0 0 157 -2,-0.3 8,-0.1 8,-0.2 2,-0.1 -0.930 25.8-118.2-108.4 131.4 18.2 -9.5 7.6 12 96 A A + 0 0 38 -2,-0.5 7,-0.1 1,-0.1 37,-0.0 -0.420 38.8 163.3 -66.2 137.3 18.9 -6.0 6.2 13 97 A I + 0 0 42 -2,-0.1 2,-0.2 5,-0.1 189,-0.2 0.269 54.6 65.2-138.5 6.6 15.8 -4.2 5.1 14 98 A H S S- 0 0 51 1,-0.1 3,-0.1 188,-0.0 186,-0.0 -0.634 92.2 -96.4-118.8-178.3 17.0 -0.5 4.9 15 99 A H S S+ 0 0 197 -2,-0.2 -1,-0.1 1,-0.2 -3,-0.0 0.967 114.3 19.4 -60.0 -55.1 19.5 1.3 2.7 16 100 A E S S+ 0 0 129 2,-0.1 32,-1.8 31,-0.0 -1,-0.2 0.161 94.1 107.4-115.3 14.2 22.5 1.2 5.0 17 101 A D B -c 48 0A 16 30,-0.2 2,-0.3 -3,-0.1 32,-0.2 -0.413 62.2-112.6 -90.4 172.6 22.0 -1.6 7.6 18 102 A L - 0 0 13 30,-2.9 2,-0.4 -2,-0.1 -5,-0.1 -0.765 8.9-137.6-110.5 148.8 23.9 -4.9 7.7 19 103 A S + 0 0 63 -2,-0.3 2,-0.3 -8,-0.1 -8,-0.2 -0.867 35.6 159.9 -98.5 136.3 22.9 -8.5 7.3 20 104 A F B -F 10 0B 7 -10,-1.9 -10,-2.5 -2,-0.4 2,-0.2 -0.993 29.5-133.9-152.3 157.2 24.4 -11.0 9.8 21 105 A Q > - 0 0 136 -2,-0.3 3,-1.6 -12,-0.2 2,-0.2 -0.597 44.9 -76.9-106.0 170.4 23.9 -14.5 11.2 22 106 A K T 3 S+ 0 0 115 1,-0.2 -15,-0.2 -2,-0.2 3,-0.1 -0.494 119.3 29.3 -69.0 130.2 23.9 -15.7 14.8 23 107 A G T 3 S+ 0 0 47 -17,-2.1 -1,-0.2 1,-0.3 2,-0.2 0.220 85.5 141.4 103.5 -13.2 27.5 -16.1 16.0 24 108 A D < - 0 0 28 -3,-1.6 -18,-2.5 -19,-0.1 -1,-0.3 -0.448 40.4-148.4 -66.7 126.1 28.8 -13.3 13.8 25 109 A Q E +A 5 0A 92 -2,-0.2 16,-2.5 -20,-0.2 17,-0.4 -0.712 21.9 171.5 -93.0 148.4 31.4 -11.0 15.4 26 110 A M E -AD 4 40A 0 -22,-2.0 -22,-2.4 -2,-0.3 2,-0.4 -0.984 31.3-112.7-154.4 159.5 31.7 -7.4 14.5 27 111 A V E -AD 3 39A 8 12,-2.0 12,-1.4 -2,-0.3 2,-0.7 -0.786 27.5-127.8 -98.6 133.5 33.5 -4.2 15.6 28 112 A V E + D 0 38A 19 -26,-1.9 -26,-0.4 -2,-0.4 10,-0.2 -0.722 31.0 170.0 -86.0 116.3 31.6 -1.3 17.2 29 113 A L E + 0 0 66 8,-2.5 2,-0.3 -2,-0.7 9,-0.2 0.701 67.9 7.4 -93.0 -24.4 32.4 1.9 15.3 30 114 A E E - D 0 37A 113 7,-1.6 7,-1.6 0, 0.0 2,-0.5 -0.963 57.8-146.7-164.4 134.9 29.7 4.1 16.9 31 115 A E + 0 0 108 -2,-0.3 5,-0.1 5,-0.2 3,-0.1 -0.942 33.0 145.4-111.8 130.7 27.0 3.9 19.7 32 116 A S > - 0 0 67 -2,-0.5 3,-0.5 3,-0.4 2,-0.5 -0.089 60.9 -83.7-161.2 42.3 23.8 5.8 19.2 33 117 A G T 3 S+ 0 0 48 1,-0.2 -1,-0.2 18,-0.1 18,-0.1 -0.768 101.4 0.1 98.7-125.3 20.7 4.1 20.7 34 118 A E T 3 S+ 0 0 86 -2,-0.5 17,-3.0 1,-0.1 2,-0.4 0.720 129.6 53.2 -80.8 -21.5 18.7 1.4 19.0 35 119 A W E < - E 0 50A 12 -3,-0.5 -3,-0.4 15,-0.3 2,-0.3 -0.964 68.4-175.1-115.7 131.8 21.0 1.5 15.9 36 120 A W E - E 0 49A 45 13,-2.8 13,-2.7 -2,-0.4 2,-0.5 -0.879 25.9-123.0-118.6 154.4 24.8 1.1 16.1 37 121 A K E +DE 30 48A 55 -7,-1.6 -8,-2.5 -2,-0.3 -7,-1.6 -0.870 43.9 166.7 -95.7 126.6 27.4 1.4 13.4 38 122 A A E -DE 28 47A 0 9,-2.9 9,-1.7 -2,-0.5 2,-0.4 -0.712 37.1-127.8-129.7 179.0 29.5 -1.7 13.1 39 123 A R E -DE 27 46A 47 -12,-1.4 -12,-2.0 -2,-0.2 7,-0.2 -0.889 27.8-133.7-133.6 106.3 32.0 -3.6 11.0 40 124 A S E > -D 26 0A 0 5,-2.0 4,-1.7 -2,-0.4 -14,-0.2 -0.315 6.2-154.8 -56.5 128.9 31.2 -7.2 10.2 41 125 A L T 4 S+ 0 0 59 -16,-2.5 -1,-0.2 1,-0.2 -15,-0.1 0.688 95.2 47.0 -80.5 -15.4 34.2 -9.5 10.8 42 126 A A T 4 S+ 0 0 75 -17,-0.4 -1,-0.2 3,-0.1 -16,-0.1 0.711 129.7 19.8 -94.9 -27.5 32.8 -12.0 8.3 43 127 A T T 4 S- 0 0 61 2,-0.1 -2,-0.2 0, 0.0 3,-0.1 0.566 88.8-137.6-116.5 -19.4 31.9 -9.5 5.5 44 128 A R < + 0 0 146 -4,-1.7 2,-0.4 1,-0.2 -3,-0.1 0.665 53.9 144.4 66.7 18.9 34.0 -6.5 6.4 45 129 A K - 0 0 132 -5,-0.0 -5,-2.0 0, 0.0 2,-0.4 -0.742 44.9-142.1 -89.6 130.2 31.1 -4.3 5.6 46 130 A E E + E 0 39A 118 -2,-0.4 2,-0.3 -7,-0.2 -7,-0.2 -0.768 48.8 111.3 -87.3 138.4 30.6 -1.1 7.7 47 131 A G E - E 0 38A 4 -9,-1.7 -9,-2.9 -2,-0.4 2,-0.3 -0.961 61.9 -53.0-179.0-168.2 26.9 -0.4 8.4 48 132 A Y E -cE 17 37A 50 -32,-1.8 -30,-2.9 -2,-0.3 -11,-0.2 -0.724 40.6-178.9 -98.8 143.9 24.0 -0.2 10.9 49 133 A I E - E 0 36A 0 -13,-2.7 -13,-2.8 -2,-0.3 2,-0.5 -0.957 37.5-101.5-132.3 152.9 22.9 -3.0 13.3 50 134 A P E > - E 0 35A 0 0, 0.0 3,-2.0 0, 0.0 4,-0.3 -0.672 29.6-140.9 -74.4 124.0 20.1 -3.1 15.9 51 135 A S T 3 S+ 0 0 29 -17,-3.0 3,-0.2 -2,-0.5 -16,-0.1 0.530 97.3 58.5 -68.7 -5.4 21.8 -2.6 19.3 52 136 A N T 3 S+ 0 0 61 -18,-0.4 -1,-0.3 1,-0.1 -17,-0.1 0.347 93.7 64.8-103.5 5.0 19.6 -5.2 21.0 53 137 A Y S < S+ 0 0 8 -3,-2.0 -46,-3.5 -46,-0.1 -45,-0.8 0.373 103.8 50.8-102.8 -2.3 20.7 -8.1 18.7 54 138 A V E +B 6 0A 8 -4,-0.3 2,-0.3 -48,-0.2 -48,-0.2 -0.858 55.3 177.8-128.4 165.7 24.2 -8.0 19.9 55 139 A A E -B 5 0A 8 -50,-1.1 -50,-2.3 -2,-0.3 3,-0.1 -0.942 46.8 -72.1-157.3 159.1 26.2 -8.0 23.2 56 140 A R E > -B 4 0A 110 -2,-0.3 3,-0.8 -52,-0.2 -52,-0.3 -0.156 62.3 -91.9 -53.8 145.1 30.0 -8.0 24.0 57 141 A V T 3 S+ 0 0 50 -54,-1.7 2,-0.9 1,-0.2 -1,-0.1 -0.177 106.1 4.6 -56.8 147.7 31.9 -11.3 23.4 58 142 A D T 3 S+ 0 0 153 1,-0.1 -1,-0.2 -3,-0.1 -2,-0.1 0.244 100.6 133.2 62.4 -19.1 32.2 -13.8 26.3 59 143 A S S X S- 0 0 34 -2,-0.9 3,-1.3 -3,-0.8 4,-0.2 0.002 74.5 -96.1 -55.3 168.2 29.9 -11.5 28.3 60 144 A L G > S+ 0 0 51 1,-0.3 3,-1.2 2,-0.2 6,-0.2 0.755 117.6 60.2 -66.1 -28.9 26.9 -12.9 30.2 61 145 A E G 3 S+ 0 0 68 1,-0.3 -1,-0.3 -5,-0.1 7,-0.1 0.549 88.5 73.8 -81.2 -8.6 24.2 -12.2 27.6 62 146 A T G < S+ 0 0 39 -3,-1.3 -1,-0.3 -6,-0.2 2,-0.3 0.588 80.7 94.0 -75.8 -11.4 25.9 -14.4 25.1 63 147 A E S X S- 0 0 70 -3,-1.2 3,-1.0 -4,-0.2 -4,-0.0 -0.621 76.9-134.8 -91.4 145.0 24.8 -17.5 27.1 64 148 A E T 3 S+ 0 0 99 -2,-0.3 -1,-0.1 1,-0.3 95,-0.1 0.756 103.5 49.7 -70.0 -26.1 21.6 -19.3 26.2 65 149 A W T 3 S+ 0 0 12 93,-0.1 26,-2.7 25,-0.1 2,-0.4 0.496 91.4 93.8 -93.0 -6.5 20.4 -19.5 29.8 66 150 A F E < -g 91 0C 19 -3,-1.0 2,-0.5 -6,-0.2 26,-0.2 -0.764 50.1-173.9 -95.3 132.5 20.9 -15.8 30.7 67 151 A F E > -g 92 0C 18 24,-1.8 26,-0.8 -2,-0.4 3,-0.6 -0.964 11.4-152.5-127.2 112.8 18.0 -13.4 30.3 68 152 A K T 3 S+ 0 0 129 -2,-0.5 24,-0.0 1,-0.2 -2,-0.0 -0.632 74.5 13.1 -86.2 140.1 18.7 -9.7 30.9 69 153 A G T 3 S+ 0 0 64 -2,-0.3 2,-0.6 1,-0.2 -1,-0.2 0.666 84.7 142.6 75.7 19.3 16.0 -7.3 32.1 70 154 A I < - 0 0 27 -3,-0.6 -1,-0.2 4,-0.0 -3,-0.1 -0.827 40.6-145.2 -97.9 122.4 13.5 -10.0 33.1 71 155 A S > - 0 0 21 -2,-0.6 4,-2.2 1,-0.1 3,-0.3 -0.357 33.5-103.2 -71.6 162.4 11.4 -9.4 36.3 72 156 A R H > S+ 0 0 24 1,-0.2 4,-1.8 2,-0.2 5,-0.1 0.901 125.5 50.0 -54.5 -39.0 10.5 -12.4 38.4 73 157 A K H > S+ 0 0 20 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.824 107.2 52.7 -72.3 -32.4 7.0 -12.3 36.9 74 158 A D H > S+ 0 0 33 -3,-0.3 4,-2.8 2,-0.2 5,-0.2 0.905 107.8 52.2 -67.8 -41.5 8.3 -12.2 33.3 75 159 A A H X S+ 0 0 0 -4,-2.2 4,-2.0 1,-0.2 -2,-0.2 0.904 108.0 51.8 -59.1 -44.4 10.4 -15.3 33.9 76 160 A E H X S+ 0 0 37 -4,-1.8 4,-1.0 -5,-0.2 -1,-0.2 0.928 113.5 44.4 -56.8 -45.5 7.3 -17.0 35.2 77 161 A R H < S+ 0 0 35 -4,-1.8 -2,-0.2 1,-0.2 -1,-0.2 0.867 113.6 48.4 -69.4 -38.7 5.4 -16.1 32.0 78 162 A Q H >< S+ 0 0 76 -4,-2.8 3,-0.5 1,-0.2 82,-0.3 0.831 112.4 48.9 -71.5 -32.6 8.2 -17.0 29.6 79 163 A L H 3< S+ 0 0 0 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.630 108.5 52.8 -83.5 -17.0 8.8 -20.4 31.2 80 164 A L T 3< S+ 0 0 60 -4,-1.0 -1,-0.2 -5,-0.2 -2,-0.2 0.352 88.7 109.6 -93.8 3.3 5.1 -21.3 31.2 81 165 A A S X S- 0 0 36 -3,-0.5 3,-0.8 -4,-0.1 79,-0.2 -0.597 85.4 -86.7 -80.7 140.6 5.0 -20.5 27.4 82 166 A P T 3 S+ 0 0 126 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.125 110.8 48.2 -48.7 133.2 4.7 -23.4 25.0 83 167 A G T 3 S+ 0 0 59 1,-0.5 2,-0.2 -3,-0.1 -2,-0.0 0.296 91.1 97.4 113.1 -5.4 7.9 -25.1 24.0 84 168 A N < - 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0 0 1 13,-0.4 4,-2.2 -2,-0.3 3,-0.7 -0.309 27.7-116.2 -65.4 148.9 16.1 7.2 60.2 763 431 B P H 3> S+ 0 0 22 0, 0.0 4,-1.7 0, 0.0 5,-0.2 0.814 115.3 51.5 -58.8 -36.4 19.0 9.1 58.6 764 432 B E H 3> S+ 0 0 27 2,-0.2 4,-2.0 69,-0.2 6,-1.0 0.789 111.0 51.1 -70.0 -28.2 16.9 12.3 58.0 765 433 B A H <> S+ 0 0 4 -3,-0.7 4,-2.3 4,-0.2 -1,-0.2 0.972 109.0 46.3 -71.5 -57.4 15.9 12.2 61.6 766 434 B I H < S+ 0 0 59 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.1 0.882 124.4 35.3 -49.5 -45.6 19.4 11.9 63.2 767 435 B N H < S+ 0 0 99 -4,-1.7 -2,-0.2 -5,-0.2 -1,-0.2 0.959 135.5 14.4 -76.0 -58.0 20.6 14.7 61.0 768 436 B F H < S- 0 0 158 -4,-2.0 -3,-0.2 -5,-0.2 -2,-0.2 0.391 94.8-115.5-108.5 1.9 17.8 17.2 60.5 769 437 B G < + 0 0 51 -4,-2.3 2,-1.0 -5,-0.3 -4,-0.2 0.928 57.2 161.1 59.5 45.5 15.4 16.2 63.2 770 438 B S - 0 0 47 -6,-1.0 2,-0.8 -8,-0.1 -1,-0.2 -0.728 14.2-179.1-102.7 83.2 12.9 15.3 60.5 771 439 B F + 0 0 58 -2,-1.0 2,-0.2 -6,-0.1 -44,-0.0 -0.748 15.2 150.2 -91.7 107.9 10.4 13.0 62.2 772 440 B T > - 0 0 59 -2,-0.8 4,-0.6 -43,-0.0 3,-0.3 -0.630 64.3 -96.9-118.6-179.8 7.6 11.7 59.8 773 441 B I H > S+ 0 0 35 1,-0.2 4,-1.1 -2,-0.2 3,-0.2 0.775 126.9 58.7 -68.7 -23.5 5.5 8.6 59.7 774 442 B K H > S+ 0 0 46 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.737 95.8 59.0 -78.2 -24.5 8.2 7.4 57.2 775 443 B S H > S+ 0 0 2 -3,-0.3 4,-1.2 1,-0.2 -13,-0.4 0.729 106.0 51.6 -73.7 -21.4 11.0 7.8 59.8 776 444 B D H X S+ 0 0 1 -4,-0.6 4,-1.8 -3,-0.2 -2,-0.2 0.810 101.2 59.5 -79.3 -36.0 9.0 5.3 61.8 777 445 B V H X S+ 0 0 0 -4,-1.1 4,-1.9 2,-0.2 -2,-0.2 0.921 105.5 49.7 -56.6 -45.4 8.8 2.9 58.8 778 446 B W H X S+ 0 0 2 -4,-1.5 4,-1.5 1,-0.2 3,-0.3 0.943 111.0 48.9 -55.3 -50.1 12.6 2.9 58.9 779 447 B S H X S+ 0 0 6 -4,-1.2 4,-1.7 1,-0.2 -1,-0.2 0.760 104.7 60.1 -64.3 -24.5 12.4 2.2 62.6 780 448 B F H X S+ 0 0 0 -4,-1.8 4,-3.6 2,-0.2 -1,-0.2 0.908 101.5 54.2 -70.2 -40.3 9.9 -0.6 61.9 781 449 B G H X S+ 0 0 0 -4,-1.9 4,-2.2 -3,-0.3 -2,-0.2 0.910 108.5 46.1 -55.7 -47.9 12.5 -2.3 59.8 782 450 B I H X S+ 0 0 0 -4,-1.5 4,-2.5 2,-0.2 -1,-0.2 0.897 114.2 50.7 -64.5 -37.0 15.1 -2.3 62.6 783 451 B L H X S+ 0 0 0 -4,-1.7 4,-2.7 2,-0.2 -2,-0.2 0.955 106.5 53.1 -61.9 -52.7 12.3 -3.6 64.8 784 452 B L H X S+ 0 0 2 -4,-3.6 4,-1.7 1,-0.2 -2,-0.2 0.903 111.2 48.5 -44.5 -46.5 11.4 -6.3 62.3 785 453 B M H X S+ 0 0 1 -4,-2.2 4,-1.3 1,-0.2 -2,-0.2 0.909 108.7 51.7 -64.8 -45.6 15.1 -7.3 62.5 786 454 B E H <>S+ 0 0 3 -4,-2.5 5,-3.5 1,-0.2 6,-0.5 0.887 109.0 52.8 -55.7 -43.0 15.1 -7.3 66.3 787 455 B I H ><5S+ 0 0 3 -4,-2.7 3,-1.1 1,-0.2 -1,-0.2 0.891 109.6 46.9 -61.0 -41.8 12.1 -9.5 66.3 788 456 B V H 3<5S+ 0 0 2 -4,-1.7 -1,-0.2 1,-0.3 -2,-0.2 0.629 113.2 48.5 -82.7 -14.9 13.7 -12.1 64.0 789 457 B T T ><5S- 0 0 22 -4,-1.3 3,-0.8 -3,-0.3 -1,-0.3 0.093 117.7-110.8-105.9 19.8 16.9 -12.2 66.0 790 458 B Y T < 5S- 0 0 71 -3,-1.1 -3,-0.2 1,-0.2 -2,-0.1 0.830 79.8 -41.6 53.4 40.8 15.1 -12.6 69.3 791 459 B G T 3 S- 0 0 8 2,-0.1 3,-1.3 1,-0.1 -2,-0.0 0.956 87.6-146.3 44.3 73.0 24.5 -3.7 64.3 796 464 B P T 3 S+ 0 0 79 0, 0.0 3,-0.1 0, 0.0 -1,-0.1 -0.227 78.8 15.6 -60.4 156.4 26.5 -6.0 66.7 797 465 B G T 3 S+ 0 0 93 1,-0.2 2,-0.3 0, 0.0 -2,-0.1 0.462 111.6 108.2 61.2 3.1 30.2 -5.1 67.4 798 466 B M < - 0 0 42 -3,-1.3 2,-0.2 -4,-0.2 -1,-0.2 -0.859 56.5-149.5-123.8 139.8 29.3 -1.7 66.0 799 467 B S > - 0 0 44 -2,-0.3 4,-0.8 -3,-0.1 5,-0.1 -0.591 31.7 -96.3-110.5 172.0 28.8 1.7 67.6 800 468 B N H > S+ 0 0 74 1,-0.2 4,-1.8 2,-0.2 3,-0.3 0.815 120.7 39.3 -57.1 -45.1 26.7 4.8 67.0 801 469 B P H > S+ 0 0 69 0, 0.0 4,-1.7 0, 0.0 -1,-0.2 0.889 113.0 57.2 -73.2 -36.0 29.2 6.9 65.0 802 470 B E H 4 S+ 0 0 92 1,-0.2 -2,-0.2 2,-0.2 4,-0.0 0.616 110.3 47.4 -65.7 -13.3 30.5 3.8 63.2 803 471 B V H X S+ 0 0 5 -4,-0.8 4,-2.4 -3,-0.3 3,-0.4 0.835 105.1 54.2 -94.2 -43.8 26.9 3.4 62.1 804 472 B I H X S+ 0 0 82 -4,-1.8 4,-1.1 1,-0.3 -2,-0.2 0.822 113.7 45.4 -60.2 -30.4 26.1 6.9 60.9 805 473 B R H X S+ 0 0 156 -4,-1.7 4,-1.1 2,-0.2 -1,-0.3 0.655 111.5 53.2 -85.2 -18.7 29.2 6.7 58.7 806 474 B A H >>S+ 0 0 4 -3,-0.4 5,-2.9 -5,-0.2 4,-0.5 0.806 104.7 54.7 -82.5 -31.9 28.1 3.2 57.5 807 475 B L H ><5S+ 0 0 14 -4,-2.4 3,-0.6 3,-0.2 -2,-0.2 0.897 108.2 47.2 -70.0 -41.7 24.7 4.4 56.5 808 476 B E H 3<5S+ 0 0 143 -4,-1.1 -1,-0.2 1,-0.2 -2,-0.2 0.944 107.6 57.5 -61.8 -45.8 26.0 7.1 54.2 809 477 B R H 3<5S- 0 0 195 -4,-1.1 -1,-0.2 1,-0.1 -2,-0.2 0.671 124.4-107.6 -57.2 -19.3 28.4 4.5 52.7 810 478 B G T <<5 + 0 0 50 -3,-0.6 2,-0.2 -4,-0.5 -3,-0.2 0.694 64.8 153.0 97.6 23.7 25.3 2.5 51.8 811 479 B Y < + 0 0 89 -5,-2.9 2,-0.3 -8,-0.1 -1,-0.3 -0.598 15.5 176.0 -85.2 145.2 25.6 -0.4 54.4 812 480 B R - 0 0 36 -2,-0.2 16,-0.0 0, 0.0 -5,-0.0 -0.945 40.9 -84.5-138.2 159.1 22.6 -2.3 55.6 813 481 B M - 0 0 3 -2,-0.3 2,-0.1 1,-0.1 15,-0.0 -0.346 47.4-113.4 -64.5 141.7 22.4 -5.3 58.0 814 482 B P - 0 0 82 0, 0.0 -1,-0.1 0, 0.0 0, 0.0 -0.375 36.7 -92.6 -71.6 154.4 22.8 -8.7 56.4 815 483 B R - 0 0 76 -2,-0.1 2,-0.1 1,-0.1 6,-0.1 -0.540 43.8-128.6 -64.0 122.9 19.9 -11.3 56.3 816 484 B P > - 0 0 18 0, 0.0 3,-1.7 0, 0.0 8,-0.1 -0.391 23.0-108.3 -70.8 159.9 20.2 -13.5 59.4 817 485 B E T 3 S+ 0 0 195 1,-0.3 -2,-0.1 -2,-0.1 0, 0.0 0.784 117.3 47.4 -64.2 -31.3 20.1 -17.3 58.7 818 486 B N T 3 S+ 0 0 71 -30,-0.1 -1,-0.3 2,-0.1 -114,-0.0 0.305 90.5 103.5 -91.6 7.0 16.6 -17.8 60.2 819 487 B C S < S- 0 0 1 -3,-1.7 5,-0.1 2,-0.0 -34,-0.0 -0.821 74.0-122.9 -98.3 119.9 15.1 -14.9 58.2 820 488 B P >> - 0 0 4 0, 0.0 4,-1.4 0, 0.0 3,-1.3 -0.296 19.2-125.5 -57.3 140.3 13.0 -15.6 55.1 821 489 B E H 3> S+ 0 0 2 1,-0.3 4,-1.2 2,-0.2 -392,-0.1 0.820 110.4 55.3 -55.7 -34.3 14.3 -13.9 51.9 822 490 B E H 3> S+ 0 0 3 1,-0.2 4,-0.7 -394,-0.2 -1,-0.3 0.686 105.7 52.7 -78.1 -19.2 10.9 -12.3 51.3 823 491 B L H <> S+ 0 0 4 -3,-1.3 4,-1.5 2,-0.2 -1,-0.2 0.757 101.2 58.7 -84.1 -29.6 10.9 -10.7 54.8 824 492 B Y H X S+ 0 0 34 -4,-1.4 4,-2.6 1,-0.2 5,-0.2 0.887 99.0 61.8 -64.8 -36.0 14.4 -9.2 54.3 825 493 B N H X S+ 0 0 23 -4,-1.2 4,-1.4 1,-0.2 -1,-0.2 0.873 100.8 51.0 -55.7 -43.9 12.8 -7.4 51.3 826 494 B I H X S+ 0 0 15 -4,-0.7 4,-2.0 2,-0.2 3,-0.3 0.942 111.5 47.9 -56.9 -50.6 10.3 -5.5 53.6 827 495 B M H X S+ 0 0 0 -4,-1.5 4,-1.6 1,-0.2 3,-0.2 0.935 111.3 49.6 -55.9 -51.1 13.2 -4.4 55.9 828 496 B M H < S+ 0 0 66 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.728 111.5 50.0 -61.7 -27.5 15.3 -3.2 52.9 829 497 B R H >< S+ 0 0 80 -4,-1.4 3,-0.7 -3,-0.3 -1,-0.3 0.774 108.7 51.7 -80.3 -30.6 12.2 -1.3 51.6 830 498 B C H 3< S+ 0 0 0 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.790 107.8 56.8 -70.2 -28.0 11.8 0.2 55.1 831 499 B W T 3< S+ 0 0 4 -4,-1.6 2,-0.3 -5,-0.2 -1,-0.2 -0.184 73.4 137.3-102.2 39.9 15.4 1.3 54.9 832 500 B K < - 0 0 89 -3,-0.7 6,-0.1 2,-0.2 -3,-0.1 -0.662 58.1-129.6 -85.6 141.9 15.5 3.3 51.7 833 501 B N S S+ 0 0 87 -2,-0.3 -69,-0.2 4,-0.1 -1,-0.1 0.940 95.6 69.9 -50.9 -51.5 17.4 6.6 51.7 834 502 B R S >> S- 0 0 171 1,-0.1 3,-0.9 -3,-0.0 4,-0.6 -0.585 77.4-147.2 -75.0 123.9 14.4 8.4 50.2 835 503 B P T 34 S+ 0 0 43 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 0.712 98.2 54.0 -58.7 -25.0 11.6 8.7 52.8 836 504 B E T 34 S+ 0 0 136 1,-0.2 -2,-0.0 -62,-0.0 -3,-0.0 0.636 97.2 62.7 -89.1 -17.6 9.0 8.5 50.0 837 505 B E T <4 S+ 0 0 100 -3,-0.9 -1,-0.2 -5,-0.1 -4,-0.1 0.686 85.5 97.3 -75.5 -21.6 10.3 5.2 48.6 838 506 B R S < S- 0 0 3 -4,-0.6 -8,-0.2 -6,-0.1 -61,-0.0 -0.490 80.6-116.1 -70.2 137.1 9.5 3.6 51.9 839 507 B P - 0 0 11 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 -0.102 27.6-101.4 -66.6 166.9 6.1 1.8 52.0 840 508 B T > - 0 0 44 1,-0.1 4,-2.4 -63,-0.0 5,-0.1 -0.512 21.9-122.7 -81.3 157.7 3.1 2.6 54.1 841 509 B F H > S+ 0 0 0 2,-0.2 4,-2.8 1,-0.2 -122,-0.3 0.794 115.5 63.3 -69.3 -26.5 2.2 0.8 57.3 842 510 B E H > S+ 0 0 110 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.915 108.3 39.4 -61.5 -43.5 -1.1 0.1 55.6 843 511 B Y H > S+ 0 0 61 2,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.911 114.9 52.7 -69.0 -47.6 0.8 -1.9 52.9 844 512 B I H X S+ 0 0 1 -4,-2.4 4,-2.8 2,-0.2 5,-0.2 0.896 111.0 47.2 -55.7 -42.3 3.2 -3.5 55.4 845 513 B Q H X S+ 0 0 44 -4,-2.8 4,-2.7 -130,-0.3 5,-0.2 0.942 109.5 54.4 -67.0 -45.4 0.2 -4.7 57.5 846 514 B S H X S+ 0 0 38 -4,-1.8 4,-1.0 -5,-0.2 -2,-0.2 0.860 114.9 40.2 -51.0 -41.7 -1.5 -6.0 54.4 847 515 B V H < S+ 0 0 13 -4,-2.2 -2,-0.2 2,-0.2 -1,-0.2 0.924 115.2 48.1 -79.9 -46.4 1.6 -8.1 53.5 848 516 B L H >< S+ 0 0 4 -4,-2.8 3,-1.0 1,-0.2 4,-0.2 0.876 108.2 57.4 -64.4 -37.0 2.5 -9.3 57.0 849 517 B D H 3< S+ 0 0 21 -4,-2.7 3,-0.3 1,-0.2 -1,-0.2 0.884 118.9 28.2 -59.1 -44.2 -1.1 -10.3 57.7 850 518 B D T >< S+ 0 0 23 -4,-1.0 3,-2.1 -5,-0.2 -426,-0.4 0.044 82.1 130.1-109.5 25.8 -1.4 -12.7 54.7 851 519 B F T < S+ 0 0 2 -3,-1.0 -426,-2.0 1,-0.3 -425,-0.2 0.786 81.0 35.3 -50.5 -36.3 2.3 -13.5 54.6 852 520 B Y T 3 S+ 0 0 52 -3,-0.3 2,-0.4 -4,-0.2 -1,-0.3 0.331 110.7 77.9-102.9 6.9 1.7 -17.3 54.5 853 521 B T S < S- 0 0 40 -3,-2.1 -429,-0.4 -431,-0.1 2,-0.2 -0.963 71.4-135.3-123.7 127.4 -1.5 -17.0 52.4 854 522 B A > - 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