HEADER HYDROLASE/DNA 16-NOV-94 1PVI . COMPND 2 MOLECULE: DNA (5'- . SOURCE 2 SYNTHETIC: YES; . AUTHOR X.CHENG,K.BALENDIRAN,I.SCHILDKRAUT,J.E.ANDERSON . 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 . 312 # 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 2 A S 0 0 126 0, 0.0 200,-0.2 0, 0.0 201,-0.1 0.000 360.0 360.0 360.0 145.7 -10.1 18.8 0.5 -11.1 19.7 -0.3 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.0278 0.6228 0.7819 0.9667 -0.1822 0.1795 0.2543 0.7609 -0.5970 2 3 A H > - 0 0 71 198,-1.6 3,-2.1 1,-0.1 4,-0.3 0.000 360.0-125.8-110.6 142.9 -9.8 20.0 4.1 -8.4 19.9 4.8 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.3110 0.6371 0.7053 -0.9136 -0.4050 -0.0371 0.2620 -0.6559 0.7080 3 4 A P T > S+ 0 0 92 0, 0.0 3,-1.5 0, 0.0 4,-0.4 0.000 108.0 64.9 -53.8 -36.8 -11.9 22.8 5.8 -12.7 22.4 7.1 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.1205 0.9675 0.2222 -0.0828 0.2329 -0.9690 -0.9893 0.0983 0.1082 4 5 A D T >> S+ 0 0 7 1,-0.3 4,-1.9 2,-0.2 3,-1.1 0.000 80.7 81.6 -62.3 -15.9 -8.8 24.7 6.8 -7.7 24.1 7.7 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.6151 0.6745 -0.4083 -0.7407 0.6718 -0.0060 0.2702 0.3061 0.9128 5 6 A L H <> S+ 0 0 29 -3,-2.1 4,-2.1 1,-0.3 -1,-0.3 0.000 82.9 61.6 -60.1 -31.8 -8.0 25.3 3.1 -8.3 24.3 2.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.0592 0.7852 -0.6164 0.7501 0.4425 0.4915 0.6587 -0.4333 -0.6152 6 7 A N H <> S+ 0 0 137 -3,-1.5 4,-1.1 -4,-0.3 -1,-0.3 0.000 105.4 48.7 -61.6 -34.8 -10.5 28.1 3.2 -11.9 28.1 3.8 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.1068 0.9668 0.2322 0.5436 0.1388 -0.8278 -0.8325 0.2146 -0.5107 7 8 A K H <> S+ 0 0 90 -3,-1.1 4,-1.6 -4,-0.4 3,-0.5 0.000 106.0 55.7 -69.8 -45.8 -8.2 29.7 5.8 -7.9 29.1 7.2 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.8732 0.4873 0.0077 -0.4256 0.7702 -0.4751 -0.2374 0.4115 0.8799 8 9 A L H X S+ 0 0 0 -4,-1.9 4,-2.0 1,-0.2 3,-0.3 0.000 106.0 50.6 -52.2 -50.5 -5.0 29.1 3.8 -4.5 27.8 3.2 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.4467 0.4981 -0.7432 0.2566 0.7244 0.6398 0.8571 -0.4765 0.1958 9 10 A L H < S+ 0 0 105 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.000 104.2 58.4 -61.6 -30.1 -6.3 31.0 0.8 -7.4 30.5 -0.2 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.1453 0.9584 -0.2456 0.9865 0.1593 0.0379 0.0754 -0.2368 -0.9686 10 11 A E H < S+ 0 0 144 -4,-1.1 -1,-0.2 -3,-0.5 -2,-0.2 0.000 112.6 39.7 -65.5 -40.4 -7.3 34.0 2.9 -8.2 34.0 4.1 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.4687 0.8266 0.3116 0.0676 0.3182 -0.9456 -0.8808 0.4642 0.0933 11 12 A L H >X S+ 0 0 15 -4,-1.6 3,-2.9 -3,-0.3 4,-1.2 0.000 93.3 87.1 -76.7 -33.8 -3.7 34.5 4.1 -3.0 33.5 5.2 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.9124 0.2708 -0.3070 -0.3283 0.9320 -0.1535 0.2446 0.2409 0.9392 12 13 A W H >X S+ 0 0 32 -4,-2.0 4,-2.7 1,-0.3 3,-1.0 0.000 78.8 58.7 -38.3 -58.1 -1.8 33.7 0.9 -2.3 32.8 -0.2 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.5508 0.5153 -0.6566 0.7329 0.0777 0.6758 0.3993 -0.8535 -0.3348 13 14 A P H 3> S+ 0 0 67 0, 0.0 4,-0.7 0, 0.0 -1,-0.3 0.000 110.2 48.5 -51.8 -15.9 -1.8 37.2 -0.7 -3.1 37.9 -1.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.5638 0.8135 0.1427 0.7841 -0.4729 -0.4021 -0.2596 0.3386 -0.9044 14 15 A H H <> S+ 0 0 60 -3,-2.9 4,-1.5 2,-0.2 -2,-0.2 0.000 109.7 50.4 -89.4 -35.8 0.0 38.2 2.5 -0.6 38.2 3.9 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.9146 -0.0371 0.4026 0.3471 0.5828 -0.7347 -0.2074 0.8118 0.5459 15 16 A I H X S+ 0 0 1 -4,-1.5 4,-1.8 -3,-0.4 3,-0.6 0.000 109.8 51.7 -71.6 -44.4 6.3 38.5 2.4 6.0 37.5 3.5 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.9479 -0.3182 -0.0152 0.3087 0.9294 -0.2023 0.0785 0.1871 0.9792 19 20 A Q H 3X S+ 0 0 16 -4,-2.7 4,-1.5 1,-0.3 -2,-0.2 0.000 104.3 58.0 -66.5 -21.4 8.1 36.4 -0.2 7.4 35.2 -0.8 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.6029 0.1449 -0.7846 0.7344 0.2834 0.6167 0.3117 -0.9480 0.0644 20 21 A D H 3X S+ 0 0 76 -4,-1.3 4,-1.3 -5,-0.2 -1,-0.3 0.000 106.2 49.8 -76.5 -30.3 8.3 39.4 -2.5 7.2 40.3 -3.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.6300 0.7654 -0.1312 0.7114 -0.6366 -0.2976 -0.3114 0.0941 -0.9456 21 22 A L H <>S+ 0 0 0 -4,-1.8 5,-2.1 2,-0.2 3,-1.3 0.000 109.2 54.2 -61.8 -45.1 12.7 38.4 0.9 12.4 37.0 1.3 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.8149 -0.3293 -0.4769 0.4991 0.8171 0.2886 0.2947 -0.4732 0.8302 23 24 A L H ><5S+ 0 0 90 -4,-1.5 3,-1.6 1,-0.3 -1,-0.2 0.000 104.4 54.3 -54.0 -44.9 13.3 38.2 -2.8 12.2 38.1 -3.9 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.5611 0.5219 -0.6424 0.8209 -0.4505 0.3510 -0.1062 -0.7243 -0.6812 24 25 A K H 3<5S+ 0 0 129 -4,-1.3 -1,-0.3 1,-0.3 -2,-0.2 0.000 110.6 48.5 -62.4 -24.3 14.1 41.9 -2.8 13.2 43.0 -2.3 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.7700 0.5727 0.2812 0.5270 -0.3225 -0.7863 -0.3596 0.7536 -0.5502 25 26 A H T <<5S- 0 0 35 -3,-1.3 24,-0.4 -4,-0.7 -1,-0.3 0.000 128.1 -91.1-110.2 36.1 16.7 41.1 -0.1 16.4 41.4 1.4 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.8199 -0.5050 0.2698 0.4965 0.3923 -0.7743 0.2852 0.7688 0.5724 26 27 A G T < 5S+ 0 0 28 -3,-1.6 2,-0.4 1,-0.2 -3,-0.2 0.000 86.9 122.2 82.4 -13.0 18.4 38.2 -1.8 19.7 38.4 -1.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.1503 -0.9886 -0.0120 -0.3925 -0.0485 -0.9185 0.9074 0.1427 -0.3953 27 28 A I < - 0 0 5 -5,-2.1 -2,-0.2 -6,-0.1 -1,-0.2 0.000 36.0-174.0 -90.7 135.4 16.4 35.3 -0.4 15.8 35.2 1.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.6103 -0.7401 -0.2823 0.7259 -0.3799 -0.5734 0.3171 -0.5549 0.7691 28 29 A N + 0 0 97 -2,-0.4 2,-0.4 1,-0.3 -1,-0.1 0.000 69.7 26.8 -96.3 -37.6 14.7 32.9 -2.9 15.5 32.0 -3.8 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.7929 -0.5601 -0.2402 -0.5796 0.8148 0.0133 0.1883 0.1498 -0.9706 29 30 A D > - 0 0 18 3,-0.1 3,-0.7 1,-0.1 -1,-0.3 0.000 55.7-167.8-131.5 119.7 12.6 30.5 -1.0 12.9 29.0 -1.3 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.5193 -0.2545 0.8159 -0.6583 0.7279 -0.1919 -0.5450 -0.6367 -0.5455 30 31 A I T 3 S+ 0 0 1 -2,-0.4 6,-2.0 1,-0.2 7,-0.2 0.000 85.7 63.7 -82.1 -12.4 11.2 31.5 2.4 10.2 32.6 2.7 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.1577 -0.4000 0.9028 0.9698 -0.2349 0.0654 0.1859 0.8859 0.4250 31 32 A F T 3 S+ 0 0 1 4,-0.2 160,-1.8 5,-0.1 161,-0.5 0.000 97.3 66.0 -92.0 12.7 10.2 27.9 3.1 9.0 27.3 2.4 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.3194 -0.8910 0.3226 0.2813 0.4143 0.8656 -0.9049 -0.1857 0.3830 32 33 A Q S X S+ 0 0 88 -3,-0.7 3,-3.2 157,-0.2 -3,-0.1 0.000 99.7 3.5-137.2 154.2 13.7 26.5 3.1 14.1 26.0 1.7 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.9420 -0.1284 0.3100 -0.3352 -0.3177 0.8870 -0.0154 -0.9395 -0.3423 33 34 A D T 3 S- 0 0 114 -2,-0.3 156,-0.2 1,-0.3 -1,-0.1 0.000 125.6 -60.0 45.0 41.0 17.0 26.7 5.1 18.0 27.0 4.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.4112 0.6593 0.6295 -0.2156 -0.6006 0.7699 0.8857 -0.4523 -0.1048 34 35 A N T >> S+ 0 0 27 154,-1.3 4,-1.9 -3,-0.1 3,-1.5 0.000 90.3 159.3 60.9 22.8 15.4 29.0 7.6 16.4 29.1 8.7 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.1856 0.9811 0.0541 -0.9716 -0.1750 -0.1591 -0.1466 -0.0821 0.9858 35 36 A G H <> + 0 0 3 -3,-3.2 4,-1.3 153,-0.3 -4,-0.2 0.000 66.2 47.9 -42.9 -53.4 14.8 31.3 4.7 14.1 30.9 3.4 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.3836 0.9184 -0.0965 0.8443 0.3911 0.3663 0.3742 0.0591 -0.9255 36 37 A G H 34 S+ 0 0 0 -6,-2.0 4,-0.5 1,-0.2 -1,-0.3 0.000 109.4 50.6 -65.4 -26.2 12.0 33.3 6.4 10.7 32.7 6.7 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.1016 0.6721 0.7335 0.5010 0.6716 -0.5459 -0.8595 0.3120 -0.4049 37 38 A K H <> S+ 0 0 2 -3,-1.5 4,-1.9 151,-0.2 3,-0.5 0.000 104.2 59.8 -80.3 -32.3 13.8 33.9 9.8 14.2 32.8 10.8 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.6758 0.6177 0.4021 -0.6166 0.7727 -0.1507 -0.4038 -0.1461 0.9031 38 39 A L H X S+ 0 0 2 -4,-1.9 4,-2.8 1,-0.2 5,-0.3 0.000 94.8 59.7 -55.7 -62.4 16.9 35.2 8.1 17.5 34.6 6.9 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.2955 0.9115 -0.2861 0.1514 0.2510 0.9561 0.9433 -0.3259 -0.0639 39 40 A L H X S+ 0 0 0 -4,-1.3 4,-2.3 1,-0.3 -1,-0.2 0.000 106.3 52.1 -38.6 -32.5 15.2 38.1 6.4 13.9 38.0 5.5 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.2876 0.9098 0.2993 0.9507 0.3090 -0.0257 -0.1159 0.2772 -0.9538 40 41 A Q H > S+ 0 0 16 -4,-0.5 4,-2.6 -3,-0.5 -1,-0.3 0.000 111.1 44.2 -69.2 -57.9 14.2 39.2 9.9 13.6 38.3 10.9 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.4423 0.5137 0.7351 -0.1041 0.8435 -0.5269 -0.8908 0.1565 0.4266 41 42 A V H X>S+ 0 0 2 -4,-1.9 4,-2.5 1,-0.2 5,-0.5 0.000 113.7 51.9 -53.8 -44.7 17.8 39.0 11.1 18.7 37.8 11.2 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.8311 0.5284 -0.1734 -0.3632 0.7518 0.5504 0.4212 -0.3944 0.8167 42 43 A L H X>S+ 0 0 3 -4,-2.8 4,-2.3 1,-0.2 5,-0.6 0.000 112.1 44.8 -61.9 -45.1 19.0 40.8 8.0 18.9 40.3 6.6 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.0382 0.9474 -0.3178 0.6792 0.2087 0.7037 0.7330 -0.2427 -0.6355 43 44 A L H <5S+ 0 0 2 -4,-2.3 116,-2.3 -5,-0.3 119,-0.2 0.000 115.3 47.7 -68.9 -33.3 16.6 43.7 8.3 15.1 43.6 8.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.1267 0.7992 0.5876 0.8626 0.3812 -0.3326 -0.4899 0.4647 -0.7376 44 45 A I H <5S+ 0 0 15 -4,-2.6 -2,-0.2 114,-0.2 -1,-0.2 0.000 125.3 27.1 -73.3 -47.2 17.2 44.1 12.1 16.8 43.1 13.2 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.6890 0.4090 0.5983 -0.2192 0.9045 -0.3660 -0.6909 0.1210 0.7128 45 46 A T H <5S- 0 0 47 -4,-2.5 -2,-0.2 -5,-0.2 -3,-0.2 0.000 102.3-125.0 -84.6 -34.5 21.0 44.1 12.0 21.8 42.9 12.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.7672 0.4764 -0.4294 -0.2576 0.8420 0.4740 0.5874 -0.2530 0.7687 46 47 A G T << + 0 0 21 -4,-2.3 -3,-0.2 -5,-0.5 2,-0.2 0.000 56.6 144.8 95.8 25.0 21.4 45.4 8.4 21.9 46.7 8.9 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.6316 0.0084 -0.7753 -0.6906 -0.4482 -0.5675 -0.3523 0.8939 -0.2773 47 48 A L < - 0 0 20 -5,-0.6 2,-0.4 -6,-0.3 -1,-0.2 0.000 38.4-131.4 -88.9 175.2 23.6 42.5 7.1 23.9 41.2 7.8 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.1778 -0.4617 -0.8691 0.3804 0.8467 -0.3720 0.9076 -0.2645 0.3262 48 49 A T B -A 59 0A 52 11,-2.0 11,-2.2 -2,-0.2 2,-0.4 0.000 10.4-151.3-139.9 126.0 23.4 41.3 3.5 24.0 42.2 2.5 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.0087 -0.6562 -0.7545 -0.8406 -0.4039 0.3610 -0.5416 0.6374 -0.5481 49 50 A V - 0 0 6 -2,-0.4 9,-0.2 -24,-0.4 7,-0.1 0.000 34.3-144.6 -84.3 134.5 23.2 37.9 1.8 22.0 36.9 1.8 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.2484 -0.3226 -0.9134 0.9674 0.1310 0.2168 0.0497 -0.9374 0.3446 50 51 A L > - 0 0 90 7,-0.4 3,-0.8 -2,-0.4 2,-0.3 0.000 22.8 -87.8-103.5 157.6 24.9 38.4 -1.6 26.4 38.7 -1.7 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.0008 -0.2354 -0.9719 -0.9140 0.3942 -0.0962 0.4058 0.8884 -0.2148 51 52 A P T 3 S+ 0 0 128 0, 0.0 -1,-0.1 0, 0.0 -25,-0.0 0.000 111.3 14.4 -63.7 125.6 24.0 36.9 -5.0 23.9 37.8 -6.2 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.3243 -0.7877 -0.5238 -0.4577 -0.6153 0.6418 -0.8278 0.0316 -0.5601 52 53 A G T 3 S+ 0 0 86 -2,-0.3 2,-0.2 1,-0.2 -3,-0.0 0.000 85.4 147.2 79.4 42.1 25.8 33.5 -5.4 26.6 34.0 -6.5 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.7533 -0.5358 0.3814 -0.6498 -0.6957 0.3063 0.1012 -0.4786 -0.8722 53 54 A R < - 0 0 93 -3,-0.8 2,-0.5 2,-0.1 -1,-0.2 0.000 46.7-124.2 -99.5 169.0 26.9 32.8 -1.8 26.4 33.6 -0.6 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.2114 -0.7755 0.5949 0.8003 -0.2121 -0.5609 0.5611 0.5947 0.5758 54 55 A E S S- 0 0 145 -2,-0.2 3,-0.1 0, 0.0 0, 0.0 0.000 72.7 -18.6-115.5 129.4 27.1 29.3 -0.5 28.4 28.5 -0.6 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.2938 -0.5925 0.7501 -0.9517 0.1078 -0.2876 0.0895 -0.7984 -0.5955 55 56 A G S S- 0 0 48 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0 0.0 0.5295 -0.6206 -0.5783 -0.5997 -0.7560 0.2622 -0.6000 0.2080 -0.7725 131 132 A Y H ><5S+ 0 0 122 -4,-1.7 2,-3.1 1,-0.2 3,-2.3 0.000 111.8 56.3 -65.3 -60.8 41.9 12.2 14.9 43.1 13.1 15.3 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.4289 -0.8224 0.3738 -0.3731 -0.5381 -0.7558 0.8227 0.1847 -0.5376 132 133 A S T 3<5S+ 0 0 89 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.1 0.000 110.9 47.9 -69.9 52.3 41.4 10.4 18.1 41.4 11.1 19.5 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.6059 -0.7123 0.3543 0.4488 -0.6737 -0.5871 0.6569 -0.1967 0.7279 133 134 A D T 3 5S- 0 0 84 -2,-3.1 -1,-0.3 -3,-0.5 -2,-0.2 0.000 124.9 -84.7-168.5 -9.6 38.5 8.4 16.4 37.4 9.5 16.3 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.4773 -0.5763 -0.6634 0.3158 -0.8170 0.4825 -0.8200 0.0208 0.5719 134 135 A G T < 5S- 0 0 57 -3,-2.3 -3,-0.2 -4,-0.2 -2,-0.1 0.000 73.1 -68.3 97.9 32.7 39.9 7.2 13.1 39.1 6.0 13.2 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.0831 0.0418 -0.9957 0.9261 0.3723 -0.0617 0.3681 -0.9272 -0.0696 135 136 A H S > -F 78 0B 50 0, 0.0 4,-1.8 0, 0.0 3,-0.5 0.000 8.4-142.0 -63.4 129.2 25.1 25.0 23.5 25.7 24.6 24.8 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.5747 0.7240 0.3815 -0.7231 -0.2309 -0.6510 -0.3832 -0.6500 0.6562 145 146 A V H 3> S+ 0 0 6 -68,-2.7 4,-1.7 1,-0.3 -67,-0.1 0.000 104.5 57.8 -55.8 -33.3 22.8 28.0 23.4 21.2 27.9 23.5 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.0384 0.8620 0.5055 0.7782 0.3431 -0.5260 -0.6268 0.3732 -0.6840 146 147 A K H 3> S+ 0 0 135 -69,-0.4 4,-2.0 2,-0.2 -1,-0.3 0.000 104.0 50.2 -67.0 -38.6 23.9 28.6 27.0 23.8 27.6 28.1 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.7579 0.4663 0.4561 -0.3512 0.8810 -0.3171 -0.5497 0.0802 0.8315 147 148 A Y H <> S+ 0 0 33 -3,-0.5 4,-2.5 1,-0.2 5,-0.3 0.000 109.4 51.2 -65.0 -43.0 27.5 28.8 25.9 28.3 27.7 25.2 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.5958 0.6826 -0.4231 -0.0297 0.5452 0.8377 0.8026 -0.4866 0.3451 148 149 A V H X S+ 0 0 0 -4,-1.8 4,-2.5 1,-0.2 -1,-0.2 0.000 111.1 49.1 -61.1 -39.6 26.7 31.3 23.2 25.6 31.0 22.1 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.2190 0.9743 -0.0523 0.9581 0.2248 0.1773 0.1845 -0.0113 -0.9828 149 150 A M H < S+ 0 0 84 -4,-1.7 5,-0.2 2,-0.2 -2,-0.2 0.000 115.4 41.6 -69.9 -40.9 24.8 33.5 25.7 23.5 33.1 26.5 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.1895 0.6679 0.7197 0.3462 0.6405 -0.6855 -0.9188 0.3791 -0.1099 150 151 A E H < S+ 0 0 136 -4,-2.0 -2,-0.2 1,-0.1 -1,-0.2 0.000 127.9 30.9 -74.5 -40.2 27.5 33.6 28.3 27.9 32.4 29.2 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.9063 0.4020 0.1305 -0.4098 0.9113 0.0389 -0.1033 -0.0887 0.9907 151 152 A H H < S+ 0 0 85 -4,-2.5 -2,-0.2 -5,-0.2 -3,-0.2 0.000 109.2 70.4 -91.3 -31.3 30.4 34.0 25.8 31.1 32.8 25.2 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.3820 0.5773 -0.7217 0.1009 0.7502 0.6535 0.9186 -0.3224 0.2283 152 153 A G S < S- 0 0 14 -4,-2.5 2,-0.5 -5,-0.3 -38,-0.2 0.000 82.4-115.3 -75.8-173.1 28.8 36.0 23.0 27.6 35.5 22.2 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.2332 0.9499 -0.2083 0.9719 0.2350 -0.0166 0.0332 -0.2063 -0.9779 153 154 A T E -E 113 0A 77 -40,-1.7 -40,-2.1 0, 0.0 2,-0.2 0.000 26.6-123.7-133.0 113.0 27.7 39.6 23.2 28.8 40.7 23.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.7043 0.7060 -0.0745 -0.5340 -0.4577 0.7109 0.4678 0.5404 0.6994 154 155 A K E +E 112 0A 113 -2,-0.5 -42,-0.2 -42,-0.2 -5,-0.0 0.000 32.0 172.0 -53.4 118.1 24.0 40.3 22.9 23.1 40.4 24.1 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.5904 0.6345 -0.4989 0.1663 -0.5093 -0.8444 -0.7898 -0.5814 0.1952 155 156 A I 0 0 70 -44,-3.0 -43,-0.2 -2,-0.2 -1,-0.1 0.000 360.0 360.0-112.0 5.9 23.3 42.7 20.1 24.1 42.8 18.8 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.6542 0.6254 -0.4254 -0.1177 0.4714 0.8740 0.7471 0.6218 -0.2348 156 157 A Y 0 0 117 -45,-0.9 -44,-0.1-111,-0.0 -2,-0.1 0.000 360.0 360.0-171.9 360.0 19.5 42.5 20.2 19.0 42.2 18.8 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.8863 -0.3236 0.3312 0.0287 0.6755 0.7368 -0.4622 0.6625 -0.5894 157 2 B S 0 0 103 0, 0.0-114,-0.2 0, 0.0-113,-0.1 0.000 360.0 360.0 360.0 169.3 17.6 48.7 11.5 16.6 47.6 12.1 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.1822 -0.2870 -0.9404 0.9548 0.1770 -0.2390 0.2350 -0.9414 0.2418 158 3 B H > - 0 0 68 -116,-2.3 3,-2.2-117,-0.3 4,-0.4 0.000 360.0-122.1 -55.1 136.6 16.9 48.6 7.8 17.1 47.4 6.9 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.7287 0.3337 -0.5981 0.2962 0.9409 0.1641 0.6175 -0.0576 -0.7845 159 4 B P T >> S+ 0 0 89 0, 0.0 3,-1.3 0, 0.0 4,-0.6 0.000 108.0 66.7 -52.2 -33.7 13.9 50.7 6.7 14.0 51.9 5.7 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.9509 -0.2059 -0.2312 -0.1865 -0.2152 0.9586 -0.2472 0.9546 0.1662 160 5 B D H >> S+ 0 0 9 1,-0.3 4,-1.8 2,-0.2 3,-0.7 0.000 80.9 81.9 -63.3 -16.7 12.2 47.7 5.1 12.7 46.8 4.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.6271 -0.7100 0.3203 -0.6940 0.6960 0.1843 -0.3538 -0.1067 -0.9292 161 6 B L H <> S+ 0 0 27 -3,-2.2 4,-1.4 1,-0.3 -1,-0.3 0.000 84.2 59.0 -53.4 -40.9 11.8 46.2 8.6 12.7 46.5 9.8 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.7775 -0.1423 0.6125 -0.3547 -0.7051 -0.6140 0.5193 -0.6947 0.4978 162 7 B N H X> S+ 0 0 126 -3,-1.3 4,-1.0 -4,-0.4 3,-0.7 0.000 102.4 51.8 -56.0 -41.2 8.8 48.4 9.1 8.7 49.9 9.0 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1,-0.2 3,-1.7 0.000 112.0 53.7 -62.3 -55.2 25.8 1.6 -9.5 25.6 3.1 -9.8 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.7426 0.2590 0.6177 0.5542 -0.7554 -0.3496 0.3760 0.6019 -0.7045 286 131 B W H 3X>S+ 0 0 43 -4,-2.4 5,-2.4 1,-0.3 4,-0.8 0.000 106.3 56.2 -50.7 -38.8 26.4 1.5 -5.8 25.3 1.6 -4.7 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.5670 -0.5763 0.5885 0.8218 0.4448 -0.3562 -0.0565 0.6856 0.7258 287 132 B Y H 3<5S+ 0 0 132 -4,-2.9 -1,-0.3 1,-0.2 -2,-0.2 0.000 123.3 23.1 -68.6 -21.0 27.3 -2.2 -6.1 26.4 -3.4 -6.4 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.7786 -0.5752 -0.2508 0.5247 0.3775 0.7630 -0.3442 -0.7257 0.5957 288 133 B S H <<5S+ 0 0 104 -3,-1.7 -1,-0.2 -4,-0.7 -2,-0.2 0.000 106.9 77.4-119.5 -9.5 30.1 -1.6 -8.6 29.8 -2.0 -10.1 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.8143 0.5099 -0.2772 0.4780 -0.3183 0.8187 0.3293 -0.7992 -0.5029 289 134 B D H <5S- 0 0 61 -4,-2.9 -3,-0.2 -5,-0.2 -2,-0.2 0.000 124.0 -94.6 -69.0 -24.7 30.8 2.1 -7.8 29.7 3.0 -7.2 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.6774 0.5039 0.5360 0.6698 -0.1213 -0.7325 -0.3041 0.8552 -0.4197 290 135 B G T <5 - 0 0 54 -4,-0.8 -3,-0.2 -5,-0.3 3,-0.1 0.000 67.4 -65.9 108.4 32.6 32.6 0.6 -4.8 33.8 1.5 -4.9 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.0450 0.0033 0.9990 -0.3152 -0.9489 0.0174 0.9479 -0.3157 -0.0417 291 136 B H S -M 235 0F 45 0, 0.0 4,-1.5 0, 0.0 3,-0.3 0.000 6.6-140.2 -61.3 133.8 13.4 14.5 -14.0 13.8 14.1 -15.4 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.8113 0.4813 -0.3320 0.1156 0.6886 0.7159 0.5731 0.5424 -0.6142 301 146 B V H >> S+ 0 0 18 -68,-1.3 4,-3.0 1,-0.2 3,-0.5 0.000 103.9 60.6 -57.9 -45.9 10.0 16.3 -13.8 9.6 17.8 -13.8 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.8688 -0.1169 -0.4811 -0.1443 -0.8697 0.4720 -0.4736 0.4795 0.7388 302 147 B K H 3> S+ 0 0 131 -69,-0.4 4,-1.9 1,-0.3 -1,-0.2 0.000 103.9 50.7 -47.2 -44.0 9.3 15.4 -17.5 10.3 15.5 -18.6 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.3825 -0.8200 -0.4257 -0.9128 0.2640 0.3116 -0.1431 0.5078 -0.8495 303 148 B Y H 34 S+ 0 0 31 -3,-0.3 4,-0.4 1,-0.2 -1,-0.3 0.000 112.6 47.1 -60.5 -43.6 9.6 11.8 -16.4 10.7 11.1 -15.6 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.6193 -0.6361 0.4602 -0.5577 -0.0561 -0.8281 0.5526 -0.7696 -0.3200 304 149 B V H XX S+ 0 0 1 -4,-1.5 3,-1.2 -3,-0.5 4,-1.0 0.000 110.2 49.4 -66.1 -47.4 7.1 12.5 -13.6 7.3 13.4 -12.3 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.9846 0.1521 0.0866 -0.1703 -0.9466 -0.2739 0.0403 -0.2844 0.9579 305 150 B M H 3< S+ 0 0 80 -4,-3.0 -1,-0.2 1,-0.2 -2,-0.2 0.000 116.2 46.5 -62.8 -26.5 4.5 14.4 -15.7 4.8 15.7 -16.5 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.6795 -0.2747 -0.6803 -0.5381 -0.4437 0.7166 -0.4988 0.8530 0.1537 306 151 B E T 3< S+ 0 0 123 -4,-1.9 -1,-0.2 -5,-0.4 -2,-0.2 0.000 116.0 38.5 -99.3 3.7 4.7 11.5 -18.2 5.7 11.6 -19.4 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.2042 -0.9564 -0.2089 -0.9648 0.1604 0.2084 -0.1658 0.2441 -0.9555 307 152 B H T <4 S+ 0 0 88 -3,-1.2 2,-0.2 -4,-0.4 -2,-0.2 0.000 103.9 65.4-132.4 5.7 4.4 8.4 -16.0 5.8 7.8 -15.6 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.4470 -0.6050 0.6589 -0.7765 -0.1033 -0.6216 0.4441 -0.7895 -0.4236 308 153 B G S < S- 0 0 26 -4,-1.0 2,-0.4 -3,-0.1 -38,-0.2 0.000 77.0 -96.7-129.9 176.4 1.9 9.3 -13.3 2.6 10.0 -12.2 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.9015 0.1850 0.3912 -0.3176 -0.8969 -0.3078 0.2939 -0.4018 0.8673 309 154 B T E -L 270 0E 67 -40,-1.4 -40,-1.5 -2,-0.2 2,-0.4 0.000 37.2-124.6 -92.9 133.7 -1.6 10.2 -12.4 -2.5 9.2 -11.6 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.5874 0.7727 0.2407 0.1616 0.4034 -0.9006 -0.7930 -0.4902 -0.3618 310 155 B K E +L 269 0E 119 -2,-0.4 -42,-0.2 -42,-0.2 -44,-0.0 0.000 29.9 175.1 -77.5 129.7 -2.5 13.8 -12.0 -3.0 14.7 -13.1 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.4901 0.5597 0.6682 0.7377 -0.1420 0.6600 0.4643 0.8164 -0.3434 311 156 B I 0 0 78 -44,-3.2 -43,-0.2 -2,-0.4 -1,-0.2 0.000 360.0 360.0-108.3 -19.7 -4.0 14.4 -8.6 -3.2 13.9 -7.4 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.5899 0.5770 0.5649 -0.7809 -0.2295 -0.5809 -0.2055 -0.7838 0.5860 312 157 B Y 0 0 124 -45,-1.1 -44,-0.1-111,-0.0 -2,-0.1 0.000 360.0 360.0-162.6 360.0 -4.4 18.1 -8.9 -3.9 18.7 -7.5 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.0862 0.9137 -0.3971 -0.7865 -0.1822 -0.5900 -0.6115 0.3632 0.7030 printout DONE