HEADER GENE REGULATION/DNA 17-SEP-98 1HWT . COMPND 2 MOLECULE: DNA (5'- . SOURCE 2 SYNTHETIC: YES; . AUTHOR D.A.KING,L.ZHANG,L.GUARENTE,R.MARMORSTEIN . flagSetFrame DONE ==== Generated by WOLFc v1.01 (last modified 28.04.2002) . ==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=1-NOV-2009 . ==== REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . 287 # 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 X-CB Y-CB Z-CB N-H.O=C C=O.H-N N-H.O=C C=O.H-N N-H.O=C C=O.H-N X1 Y1 Z1 X2 Y2 Z2 X3 Y3 Z3 1 59 C R 0 0 254 0, 0.0 41,-0.4 0, 0.0 39,-0.0 0.000 360.0 360.0 360.0 138.4 23.1 18.0 45.9 23.5 17.2 44.6 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.2351 0.8447 -0.4809 0.3641 0.3822 0.8493 0.9012 -0.3748 -0.2177 2 60 C I - 0 0 64 39,-0.1 39,-0.1 40,-0.1 0, 0.0 0.000 360.0-119.9-133.7 118.0 23.1 21.7 45.2 22.9 22.6 46.5 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.2881 0.8140 -0.5044 -0.4509 -0.3494 -0.8214 -0.8448 0.4641 0.2664 3 61 C P - 0 0 42 0, 0.0 35,-0.3 0, 0.0 4,-0.1 0.000 9.8-151.2 -54.6 145.5 24.8 23.3 42.2 24.0 23.6 40.9 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.6655 0.7279 -0.1652 0.7248 -0.5773 0.3761 0.1784 -0.3700 -0.9118 4 62 C L S S+ 0 0 124 33,-0.1 2,-0.3 2,-0.1 3,-0.1 0.000 72.2 83.1 -93.3 -17.9 27.6 25.8 42.7 29.0 25.4 42.9 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.3081 0.9267 -0.2153 -0.8037 0.3746 0.4623 0.5090 0.0306 0.8602 5 63 C S S S- 0 0 31 1,-0.1 33,-0.3 2,-0.1 5,-0.1 0.000 91.7-101.0 -89.8 140.9 27.1 27.8 39.5 27.3 27.3 38.1 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.5945 0.7061 -0.3847 0.3281 0.6498 0.6856 0.7341 0.2814 -0.6180 6 64 C C > - 0 0 0 -2,-0.3 4,-1.8 1,-0.1 3,-0.3 0.000 34.1-111.3 -56.8 147.6 24.4 30.5 39.5 24.6 32.0 39.3 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.8992 0.0752 -0.4310 -0.3639 -0.6756 0.6412 -0.2430 0.7334 0.6349 7 65 C T H > S+ 0 0 10 29,-1.7 4,-2.5 1,-0.2 5,-0.2 0.000 114.5 54.9 -51.4 -38.5 21.2 29.5 37.7 19.7 29.8 38.3 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.3477 0.0056 -0.9376 0.6343 -0.7350 -0.2396 -0.6905 -0.6780 0.2520 8 66 C I H > S+ 0 0 1 28,-0.3 4,-2.7 2,-0.2 -1,-0.2 0.000 107.9 46.2 -65.2 -46.9 21.7 31.9 34.8 21.9 33.4 34.9 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.4957 -0.0186 -0.8683 -0.6102 -0.7189 -0.3330 -0.6180 0.6949 -0.3676 9 67 C C H >>S+ 0 0 1 -3,-0.3 5,-1.8 2,-0.2 4,-1.5 0.000 111.2 55.9 -63.4 -32.1 25.2 30.6 33.9 26.4 30.6 34.7 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.3503 -0.8320 -0.4302 -0.3982 0.2835 -0.8724 0.8478 0.4769 -0.2320 10 68 C R H <5S+ 0 0 97 -4,-1.8 3,-0.4 2,-0.2 -2,-0.2 0.000 112.4 39.8 -61.6 -55.1 23.7 27.1 34.2 22.8 26.6 35.4 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.5077 -0.5909 -0.6269 0.8384 -0.1713 -0.5175 0.1984 -0.7883 0.5824 11 69 C K H <5S+ 0 0 83 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.000 116.9 50.0 -64.0 -33.7 21.0 27.9 31.7 19.8 28.8 32.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.0488 0.2147 -0.9755 0.2686 -0.9378 -0.2199 -0.9620 -0.2728 -0.0119 12 70 C R H <5S- 0 0 79 -4,-2.7 -1,-0.2 -5,-0.2 -2,-0.2 0.000 104.5-135.1 -76.2 -22.0 23.5 29.9 29.5 24.2 31.2 29.9 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.7418 -0.1947 -0.6418 -0.6589 -0.3896 -0.6434 -0.1247 0.9002 -0.4173 13 71 C K T <5 + 0 0 186 -4,-1.5 2,-0.3 -3,-0.4 -3,-0.2 0.000 60.4 127.1 68.8 36.5 25.8 26.9 29.7 25.5 26.1 28.4 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.9689 -0.1946 -0.1526 0.1339 -0.1060 0.9853 -0.2079 -0.9751 -0.0767 14 72 C V < - 0 0 52 -5,-1.8 2,-0.3 -6,-0.1 -1,-0.3 0.000 69.5 -83.1-117.1 166.5 28.9 29.1 30.4 28.8 30.6 30.1 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.8088 0.1661 0.5642 0.3977 -0.8612 -0.3166 0.4333 0.4804 -0.7625 15 73 C K - 0 0 160 -2,-0.3 2,-0.5 -3,-0.1 10,-0.1 0.000 39.6-145.4 -75.6 128.7 31.4 28.9 33.1 33.0 28.8 32.9 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.1445 0.3642 0.9200 -0.8020 -0.5015 0.3245 0.5796 -0.7847 0.2196 16 74 C C - 0 0 3 -2,-0.3 -1,-0.0 1,-0.1 -12,-0.0 0.000 8.9-154.9 -94.4 129.9 30.4 30.6 36.4 29.2 30.1 37.2 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.3697 0.4687 0.8023 0.3250 0.7437 -0.5842 -0.8705 0.4767 0.1226 17 75 C D - 0 0 49 -2,-0.5 -1,-0.1 2,-0.1 -12,-0.1 0.000 31.4-137.8 -80.6 1.7 33.1 32.3 38.5 33.7 33.7 38.2 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.2882 0.0685 0.9551 0.2174 -0.9761 0.0044 0.9326 0.2064 -0.2962 18 76 C K + 0 0 93 1,-0.2 2,-0.2 -12,-0.0 -2,-0.1 0.000 45.5 157.5 49.7 28.1 30.9 31.7 41.5 31.4 30.3 42.1 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.1119 0.3693 0.9226 -0.8238 0.4848 -0.2940 -0.5558 -0.7929 0.2499 19 77 C L - 0 0 92 1,-0.0 -1,-0.2 2,-0.0 -2,-0.1 0.000 35.2 -91.9 -84.2 142.9 31.6 35.1 42.9 32.4 36.2 42.1 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.4240 0.7004 0.5741 0.0407 -0.6185 0.7847 0.9047 0.3561 0.2338 20 78 C R S S+ 0 0 164 -2,-0.2 2,-0.0 1,-0.2 16,-0.0 0.000 93.7 10.6-106.3 158.8 29.1 36.7 45.3 28.9 36.1 46.7 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.4312 0.8512 0.2994 -0.4168 0.1064 -0.9027 -0.8002 -0.5140 0.3089 21 79 C P S S- 0 0 98 0, 0.0 2,-0.4 0, 0.0 -1,-0.2 0.000 140.6 -6.9 -71.0 -27.5 26.8 38.4 45.6 26.0 39.6 46.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.7348 -0.4310 -0.5238 0.3470 -0.9023 0.2557 -0.5828 0.0062 0.8126 22 80 C H S S- 0 0 71 14,-0.1 10,-0.1 -2,-0.0 11,-0.1 0.000 76.2-114.8-131.0 141.2 26.6 38.1 41.8 25.8 39.2 41.1 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.4016 -0.2563 -0.8792 -0.0079 -0.9610 0.2766 -0.9158 -0.1041 -0.3880 23 81 C C > - 0 0 0 -2,-0.4 4,-2.2 1,-0.1 3,-0.2 0.000 26.4-115.9 -70.9 158.3 29.1 36.5 39.4 28.9 35.1 38.8 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.5828 0.2773 -0.7638 0.5685 0.5324 0.6272 0.5806 -0.7998 0.1526 24 82 C Q H > S+ 0 0 78 1,-0.2 4,-3.1 2,-0.2 5,-0.2 0.000 110.4 64.4 -69.1 -21.3 30.9 38.5 36.8 32.4 38.6 36.7 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.1060 0.2801 -0.9541 -0.8005 0.5452 0.2489 0.5900 0.7901 0.1664 25 83 C Q H > S+ 0 0 56 2,-0.2 4,-1.3 1,-0.2 -1,-0.2 0.000 110.1 37.0 -66.9 -47.7 29.2 36.7 33.9 29.0 35.2 33.8 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.8008 0.1762 -0.5725 0.4647 0.7857 -0.4082 0.3779 -0.5930 -0.7111 26 84 C C H >>S+ 0 0 1 2,-0.2 5,-2.4 1,-0.2 4,-0.6 0.000 117.0 54.7 -67.6 -43.9 25.8 38.0 34.9 25.1 37.6 36.1 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.4157 0.9088 0.0349 -0.0184 0.0300 -0.9994 -0.9093 -0.4161 0.0043 27 85 C T H ><5S+ 0 0 58 -4,-2.2 3,-1.7 1,-0.2 5,-0.3 0.000 109.4 45.8 -53.7 -55.5 27.4 41.3 35.9 28.6 41.5 36.8 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.2522 0.8262 -0.5037 -0.9675 0.2249 -0.1156 0.0178 0.5165 0.8561 28 86 C K H 3<5S+ 0 0 151 -4,-3.1 -1,-0.2 1,-0.3 -2,-0.2 0.000 112.5 50.0 -61.0 -28.4 29.1 41.8 32.5 30.3 41.0 32.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.2698 0.1963 -0.9427 -0.2806 0.9205 0.2720 0.9211 0.3379 -0.1933 29 87 C T H 3<5S- 0 0 16 -4,-1.3 -1,-0.3 -3,-0.2 -2,-0.2 0.000 117.6-113.4 -90.6 -0.0 25.9 40.9 30.6 25.4 39.4 30.3 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.9106 0.3475 -0.2238 0.4131 0.7822 -0.4664 0.0130 -0.5171 -0.8558 30 88 C G T <<5S+ 0 0 12 -3,-1.7 3,-0.2 -4,-0.6 -3,-0.2 0.000 89.2 107.5 81.1 16.0 24.0 43.3 32.7 23.4 44.1 31.5 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.8606 0.1098 0.4973 0.5049 0.0568 0.8613 0.0663 0.9923 -0.1044 31 89 C V > < + 0 0 2 -5,-2.4 3,-2.8 -6,-0.2 4,-0.4 0.000 27.4 125.8-114.7 27.2 21.8 40.8 34.5 21.4 39.5 33.7 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.3295 -0.4205 0.8453 -0.3184 0.8924 0.3197 -0.8888 -0.1638 -0.4280 32 90 C A G > + 0 0 25 -6,-0.6 3,-1.4 1,-0.3 -1,-0.2 0.000 69.6 64.6 -53.1 -32.9 23.3 40.8 38.0 24.3 41.9 38.5 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.3339 -0.1395 0.9322 -0.0911 -0.9796 -0.1792 0.9382 -0.1448 0.3143 33 91 C H G 3 S+ 0 0 65 1,-0.3 -1,-0.3 -3,-0.2 -2,-0.1 0.000 105.3 46.0 -68.5 -9.5 19.9 41.5 39.4 19.0 42.7 39.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.7906 -0.5398 0.2891 0.5349 -0.3789 0.7552 -0.2981 0.7517 0.5883 34 92 C L G < S+ 0 0 2 -3,-2.8 2,-0.6 -8,-0.0 -1,-0.3 0.000 87.9 109.1-111.1 1.7 18.9 38.1 38.2 18.5 37.9 36.7 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.1086 -0.9903 0.0861 -0.3430 0.0439 0.9383 -0.9330 -0.1315 -0.3349 35 93 C C < + 0 0 4 -3,-1.4 2,-0.3 -4,-0.4 -29,-0.0 0.000 40.1 147.7 -86.2 118.9 22.0 36.3 39.4 23.4 36.8 39.3 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.3199 -0.5937 0.7383 -0.6225 -0.7192 -0.3086 0.7142 -0.3609 -0.5997 36 94 C H - 0 0 57 -2,-0.6 -29,-1.7 -14,-0.1 2,-0.3 0.000 36.0-134.8-149.1 153.6 21.4 34.0 42.4 19.9 34.1 42.8 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.1114 -0.8226 0.5576 0.9307 0.2831 0.2317 -0.3485 0.4932 0.7971 37 95 C Y - 0 0 16 -2,-0.3 2,-0.1 -31,-0.2 -31,-0.1 0.000 30.7-105.3-110.3 148.5 22.7 30.8 43.7 24.0 30.8 44.5 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.2197 -0.8825 0.4158 -0.4643 -0.2803 -0.8402 0.8580 -0.3776 -0.3482 38 96 C M - 0 0 17 -35,-0.3 3,-0.1 -2,-0.3 4,-0.1 0.000 25.7-176.1 -72.4 144.1 20.7 27.8 45.0 20.6 26.5 44.3 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.1882 -0.4472 0.8744 -0.5102 0.8052 0.3021 -0.8392 -0.3893 -0.3797 39 97 C E S S+ 0 0 162 2,-0.1 2,-0.3 -2,-0.1 -1,-0.1 0.000 71.2 26.8-115.7 -8.6 20.5 27.3 48.7 19.9 28.4 49.6 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.1202 -0.6489 0.7513 0.8490 -0.4595 -0.2610 0.5146 0.6065 0.6061 40 98 C Q S S- 0 0 45 1,-0.1 -1,-0.0 -39,-0.0 5,-0.0 0.000 96.9 -70.3-144.8 175.7 18.5 24.1 48.5 17.1 24.2 49.1 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.2874 -0.8666 -0.4079 0.9047 -0.3854 0.1815 -0.3145 -0.3168 0.8948 41 99 C T > - 0 0 34 -2,-0.3 4,-2.2 1,-0.1 5,-0.2 0.000 47.5-109.6 -65.7 165.4 17.8 21.1 46.3 17.4 19.8 46.7 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.4679 -0.1266 -0.8747 0.7208 0.5181 -0.4606 0.5114 -0.8459 -0.1512 42 100 C W H > S+ 0 0 192 -41,-0.4 4,-2.6 2,-0.2 5,-0.2 0.000 120.8 51.6 -64.9 -35.6 15.9 21.6 43.1 16.1 21.0 41.7 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.9717 0.0274 -0.2346 -0.0927 0.8693 0.4855 0.2173 0.4935 -0.8422 43 101 C A H > S+ 0 0 58 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.000 110.1 48.0 -66.4 -46.3 13.0 19.7 44.6 13.0 18.3 45.1 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.7403 0.2170 0.6363 -0.4188 0.5916 -0.6890 -0.5259 -0.7765 -0.3471 44 102 C E H > S+ 0 0 99 1,-0.2 4,-1.5 2,-0.2 -2,-0.2 0.000 115.2 45.8 -60.6 -40.8 13.0 21.8 47.8 14.1 22.0 48.7 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.3073 0.9211 0.2389 -0.9515 -0.2942 -0.0897 -0.0123 -0.2549 0.9669 45 103 C E H X S+ 0 0 27 -4,-2.2 4,-2.4 2,-0.2 5,-0.3 0.000 109.9 51.8 -68.7 -49.7 13.1 25.0 45.7 14.2 25.5 44.8 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.6345 0.5473 -0.5457 -0.5076 0.2374 0.8283 0.5829 0.8025 0.1272 46 104 C A H X S+ 0 0 37 -4,-2.6 4,-1.1 1,-0.2 -2,-0.2 0.000 111.2 49.3 -54.2 -42.6 10.4 24.0 43.3 10.4 22.8 42.4 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.9981 -0.0360 0.0494 -0.0373 0.9989 -0.0269 -0.0484 -0.0287 -0.9984 47 105 C E H X S+ 0 0 104 -4,-2.2 4,-1.6 1,-0.2 -1,-0.2 0.000 108.8 53.1 -66.6 -34.8 8.1 23.2 46.2 8.3 22.1 47.2 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.5492 0.5128 0.6598 -0.6118 0.2912 -0.7355 -0.5693 -0.8076 0.1539 48 106 C K H X S+ 0 0 78 -4,-1.5 4,-1.6 1,-0.2 -2,-0.2 0.000 109.5 47.0 -66.3 -43.8 8.8 26.5 47.8 10.2 27.0 48.2 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.3376 0.9367 -0.0925 -0.8859 -0.2831 0.3674 0.3180 0.2060 0.9254 49 107 C E H X S+ 0 0 20 -4,-2.4 4,-1.9 1,-0.2 -1,-0.2 0.000 107.2 59.2 -71.0 -19.3 7.9 28.5 44.7 8.7 28.5 43.4 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.8279 0.2149 -0.5181 -0.3322 0.5565 0.7616 0.4520 0.8026 -0.3893 50 108 C L H X S+ 0 0 102 -4,-1.1 4,-1.7 -5,-0.3 -1,-0.2 0.000 106.5 46.0 -74.4 -40.0 4.7 26.4 44.4 4.7 24.8 44.5 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.9384 0.0543 0.3413 -0.1623 0.8025 -0.5741 -0.3051 -0.5942 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1,-0.2 5,-0.3 0.000 109.4 46.0 -53.7 -54.9 -5.3 55.9 21.6 -6.4 56.9 21.8 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.2298 -0.4025 0.8861 0.9706 -0.1616 0.1783 0.0714 0.9010 0.4279 172 86 G K H 3<5S+ 0 0 151 -4,-3.2 -1,-0.2 1,-0.3 -2,-0.2 0.000 112.5 49.6 -61.8 -27.5 -7.1 52.7 22.6 -8.3 52.2 21.9 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.2301 -0.9327 0.2776 0.3714 0.3478 0.8608 -0.8995 -0.0950 0.4265 173 87 G T H 3<5S- 0 0 16 -4,-1.3 -1,-0.3 -3,-0.3 -2,-0.2 0.000 117.5-113.6 -91.0 -0.9 -4.1 50.5 21.6 -3.7 50.1 20.2 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.9189 -0.2506 0.3045 -0.3807 -0.3624 0.8507 -0.1029 -0.8977 -0.4284 174 88 G G T <<5S+ 0 0 11 -3,-1.5 3,-0.2 -4,-0.6 -3,-0.2 0.000 89.1 107.9 81.2 17.0 -1.9 52.7 23.7 -1.4 51.6 24.6 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.8935 0.4491 0.0004 -0.4491 0.8934 -0.0127 -0.0061 0.0112 0.9999 175 89 G V > < + 0 0 2 -5,-2.5 3,-3.0 -6,-0.2 4,-0.3 0.000 27.3 125.8-114.2 25.8 0.2 54.1 20.8 0.5 53.2 19.6 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.3563 0.7762 -0.5201 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4,-2.3 1,-0.1 5,-0.2 0.000 47.0-110.5 -67.4 162.6 3.3 63.7 -0.1 3.7 64.0 -1.6 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.4136 -0.9055 -0.0951 -0.6934 -0.3809 0.6116 -0.5900 -0.1870 -0.7854 186 100 G W H > S+ 0 0 190 -41,-0.3 4,-2.8 1,-0.2 5,-0.2 0.000 120.6 52.1 -62.5 -37.5 5.2 60.5 0.5 4.7 59.1 0.1 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.9598 -0.2804 -0.0150 0.1755 0.5573 0.8115 -0.2193 -0.7815 0.5841 187 101 G A H > S+ 0 0 59 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.000 109.8 47.3 -64.0 -47.5 7.9 61.6 -1.7 7.8 62.0 -3.2 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.7952 0.5977 0.1018 0.4218 -0.6660 0.6152 0.4355 -0.4463 -0.7817 188 102 G E H > S+ 0 0 100 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.000 115.2 46.6 -60.8 -39.9 8.3 64.9 0.1 7.2 66.0 0.2 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.3905 0.2970 0.8714 0.9187 -0.1869 -0.3480 0.0595 0.9364 -0.3458 189 103 G E H X S+ 0 0 30 -4,-2.3 4,-2.5 2,-0.2 3,-0.3 0.000 109.7 51.7 -68.5 -51.2 8.3 63.2 3.4 7.2 62.4 4.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.6526 -0.5296 0.5419 0.5634 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Q H > S+ 0 0 82 1,-0.2 4,-2.8 2,-0.2 5,-0.1 0.000 112.4 60.1 -62.1 -25.9 -0.2 53.4 36.1 -1.6 54.1 36.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.2412 -0.3663 0.8987 0.9417 0.1356 0.3080 -0.2347 0.9206 0.3122 242 83 H Q H > S+ 0 0 57 2,-0.2 4,-1.3 1,-0.2 -1,-0.2 0.000 109.6 41.2 -68.7 -45.4 -0.6 49.8 37.2 -1.0 48.6 36.3 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.5266 -0.6136 0.5884 -0.2625 0.5410 0.7990 -0.8086 -0.5752 0.1238 243 84 H C H 4>S+ 0 0 1 -3,-0.2 5,-2.9 2,-0.2 6,-0.6 0.000 118.0 47.4 -68.0 -41.5 3.2 49.4 37.5 4.2 49.4 36.4 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.7088 0.3481 0.6135 -0.3796 -0.5448 0.7477 0.5945 -0.7629 -0.2541 244 85 H T H ><5S+ 0 0 51 -4,-2.4 3,-1.7 4,-0.2 5,-0.2 0.000 111.0 50.6 -64.1 -49.0 3.5 52.9 39.1 3.1 54.2 38.5 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.1728 0.3852 0.9065 0.7725 -0.5180 0.3674 0.6111 0.7637 -0.2080 245 86 H K H 3<5S+ 0 0 143 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.000 115.6 44.5 -60.4 -26.8 0.7 52.2 41.6 -0.8 52.0 41.1 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 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