HEADER TRANSCRIPTION/DNA 05-NOV-91 1LMB . COMPND 2 MOLECULE: DNA (5'- . SOURCE 2 SYNTHETIC: YES; . AUTHOR L.J.BEAMER,C.O.PABO . 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 . 179 # 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 6 3 P 0 0 179 0, 0.0 2,-0.1 0, 0.0 48,-0.1 0.000 360.0 360.0 360.0 162.4 5.3 -12.7 21.5 4.7 -13.8 22.4 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.6546 -0.6521 -0.3824 0.6478 0.7446 -0.1607 0.3896 -0.1426 0.9099 2 7 3 L - 0 0 38 46,-0.4 2,-0.0 1,-0.1 48,-0.0 0.000 360.0 -87.4 -83.3 170.6 7.3 -14.7 19.1 8.9 -14.8 19.1 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.0421 -0.9238 -0.3807 -0.8125 0.2534 -0.5250 0.5814 0.2872 -0.7612 3 8 3 T > - 0 0 81 -2,-0.1 4,-2.5 1,-0.1 5,-0.2 0.000 38.8-105.5 -74.2 163.9 6.4 -18.5 18.4 6.4 -19.1 17.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.2097 -0.8865 0.4124 -0.5486 0.2424 0.8001 -0.8093 -0.3941 -0.4356 4 9 3 Q H > S+ 0 0 119 2,-0.2 4,-2.1 1,-0.2 5,-0.1 0.000 123.4 51.0 -58.3 -41.1 7.8 -21.2 20.6 7.0 -22.4 21.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.8701 -0.4900 0.0529 0.4434 0.8251 0.3501 -0.2152 -0.2812 0.9352 5 10 3 E H > S+ 0 0 90 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.000 109.6 51.1 -65.0 -41.1 10.2 -22.3 17.9 9.9 -22.9 16.5 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.8738 0.3443 -0.3435 0.4330 -0.2288 0.8719 0.2216 -0.9105 -0.3490 6 11 3 Q H > S+ 0 0 66 1,-0.2 4,-2.0 2,-0.2 -2,-0.2 0.000 110.1 50.7 -61.8 -39.2 11.4 -18.6 17.5 10.6 -17.4 17.1 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.5918 0.5954 0.5434 0.7953 -0.5412 -0.2730 0.1315 0.5937 -0.7938 7 12 3 L H X S+ 0 0 46 -4,-2.5 4,-2.0 2,-0.2 -1,-0.2 0.000 109.7 49.2 -66.8 -36.8 11.9 -18.5 21.3 10.9 -18.5 22.4 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.7103 -0.3218 0.6260 0.6607 0.6114 -0.4355 -0.2426 0.7230 0.6469 8 13 3 E H X S+ 0 0 61 -4,-2.1 4,-2.7 2,-0.2 -2,-0.2 0.000 108.2 53.7 -64.9 -43.5 14.0 -21.7 21.2 13.4 -23.1 20.7 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.9356 -0.2562 -0.2431 0.3414 0.4802 0.8080 -0.0903 -0.8389 0.5367 9 14 3 D H X S+ 0 0 6 -4,-2.5 4,-2.6 1,-0.2 -1,-0.2 0.000 109.8 48.4 -56.7 -46.2 16.1 -20.4 18.3 15.5 -19.8 17.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.7647 0.6424 -0.0500 0.6096 -0.6961 0.3793 0.2089 -0.3205 -0.9239 10 15 3 A H X S+ 0 0 6 -4,-2.0 4,-2.3 1,-0.2 -1,-0.2 0.000 110.6 50.8 -64.8 -37.3 16.8 -17.2 20.5 15.9 -16.2 20.9 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.5709 0.2082 0.7942 0.8210 -0.1390 -0.5537 -0.0049 0.9681 -0.2503 11 16 3 R H X S+ 0 0 137 -4,-2.0 4,-1.7 2,-0.2 -2,-0.2 0.000 111.8 47.3 -67.3 -40.0 17.7 -19.4 23.5 16.8 -20.4 24.3 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.8030 -0.5247 0.2827 0.5279 0.8463 0.0714 -0.2767 0.0919 0.9566 12 17 3 R H X S+ 0 0 91 -4,-2.7 4,-1.9 59,-0.3 -2,-0.2 0.000 112.5 50.5 -63.5 -47.7 20.1 -21.5 21.3 19.8 -22.4 20.1 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.9208 0.1301 -0.3677 0.3769 -0.0540 0.9247 0.1005 -0.9900 -0.0988 13 18 3 L H X S+ 0 0 0 -4,-2.6 4,-2.1 58,-0.2 -2,-0.2 0.000 111.5 45.7 -57.2 -50.9 21.7 -18.3 19.9 20.9 -17.3 19.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.6371 0.6995 0.3237 0.7512 -0.6576 -0.0575 0.1727 0.2798 -0.9444 14 19 3 K H X S+ 0 0 62 -4,-2.3 4,-2.6 32,-0.3 -1,-0.2 0.000 109.3 56.5 -64.1 -33.1 22.3 -16.7 23.3 21.3 -16.0 24.2 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.6382 -0.1304 0.7587 0.7623 0.2449 -0.5991 -0.1077 0.9607 0.2558 15 20 3 A H X S+ 0 0 61 -4,-1.7 4,-1.7 2,-0.2 -1,-0.2 0.000 107.9 48.9 -63.5 -40.7 23.8 -19.9 24.7 23.1 -21.3 24.7 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.8916 -0.4527 -0.0050 0.3635 0.7092 0.6041 -0.2699 -0.5405 0.7969 16 21 3 I H X S+ 0 0 18 -4,-1.9 4,-2.2 2,-0.2 5,-0.2 0.000 111.2 48.3 -64.5 -45.6 26.3 -19.9 21.9 26.0 -20.1 20.4 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.8464 0.4934 -0.2003 0.4487 -0.4583 0.7672 0.2867 -0.7393 -0.6093 17 22 3 Y H X S+ 0 0 9 -4,-2.1 4,-1.6 1,-0.2 -2,-0.2 0.000 110.5 53.0 -61.2 -42.1 27.2 -16.3 22.5 26.2 -15.1 22.4 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.5365 0.4757 0.6970 0.8391 -0.3884 -0.3808 0.0896 0.7892 -0.6075 18 23 3 E H < S+ 0 0 99 -4,-2.6 4,-0.3 1,-0.2 -1,-0.2 0.000 111.9 45.1 -65.2 -33.1 27.6 -17.0 26.2 26.5 -17.3 27.3 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.6943 -0.3941 0.6022 0.6353 0.7288 -0.2556 -0.3381 0.5600 0.7564 19 24 3 K H < S+ 0 0 155 -4,-1.7 4,-0.3 -5,-0.2 -1,-0.2 0.000 121.1 34.0 -81.1 -30.0 29.8 -19.8 25.6 29.3 -21.0 25.1 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.9406 -0.2003 -0.2740 0.3367 0.4488 0.8278 -0.0428 -0.8709 0.4896 20 25 3 K H X S+ 0 0 29 -4,-2.2 4,-2.1 1,-0.1 6,-0.2 0.000 87.9 97.8-103.8 -4.6 32.1 -18.2 23.0 31.8 -18.4 21.5 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.6399 0.7279 -0.2462 0.6228 -0.3037 0.7210 0.4501 -0.6147 -0.6477 21 26 3 K H X>S+ 0 0 58 -4,-1.6 5,-2.2 -5,-0.2 4,-0.7 0.000 84.1 46.2 -54.7 -43.4 32.2 -14.7 24.1 31.2 -14.0 24.9 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.7081 0.6620 0.2455 0.3608 -0.0405 -0.9317 -0.6069 0.7484 -0.2675 22 27 3 N H >45S+ 0 0 137 -4,-0.3 3,-1.3 3,-0.2 -1,-0.2 0.000 113.6 45.8 -66.4 -52.8 35.4 -14.9 26.0 35.6 -15.4 27.4 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.9719 -0.0150 -0.2351 -0.0954 0.8873 -0.4512 0.2153 0.4610 0.8609 23 28 3 E H 345S+ 0 0 148 -4,-0.3 -1,-0.2 1,-0.3 -2,-0.2 0.000 119.6 41.3 -58.6 -34.3 37.5 -16.7 23.4 37.4 -18.2 23.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.3965 0.2258 -0.8898 0.6202 0.6487 0.4410 0.6769 -0.7267 0.1172 24 29 3 L H 3<5S- 0 0 46 -4,-2.1 -1,-0.3 2,-0.0 -2,-0.2 0.000 107.8-126.2 -91.7 -1.7 36.2 -14.5 20.6 34.8 -14.7 19.9 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.0028 0.9505 -0.3108 0.9932 -0.0335 -0.1113 -0.1162 -0.3090 -0.9439 25 30 3 G T <<5 + 0 0 63 -3,-1.3 -3,-0.2 -4,-0.7 2,-0.2 0.000 55.8 155.7 56.7 43.9 36.5 -11.3 22.8 37.7 -10.6 22.3 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.4667 0.8820 0.0648 -0.4645 -0.3068 0.8308 0.7526 0.3576 0.5529 26 31 3 L < + 0 0 17 -5,-2.2 2,-0.3 -6,-0.2 -1,-0.2 0.000 27.1 177.4-101.0 164.6 32.9 -10.3 22.2 31.9 -11.3 21.5 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.8005 0.5201 0.2977 0.5168 0.8507 -0.0965 -0.3035 0.0766 -0.9498 27 32 3 S > - 0 0 50 -2,-0.2 4,-2.1 1,-0.1 5,-0.3 0.000 49.9 -98.3-149.7 165.7 30.2 -8.2 24.0 30.8 -6.9 24.6 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.9203 0.3817 0.0858 -0.3593 -0.9114 0.2007 0.1548 0.1539 0.9759 28 33 3 Q H > S+ 0 0 39 -2,-0.3 4,-2.3 1,-0.2 14,-0.1 0.000 124.6 50.8 -60.7 -33.7 26.7 -7.3 22.9 25.4 -7.2 23.7 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.3546 0.6121 -0.7068 0.4427 -0.5559 -0.7036 -0.8236 -0.5624 -0.0739 29 34 3 E H > S+ 0 0 115 2,-0.2 4,-2.9 1,-0.2 -1,-0.2 0.000 109.8 47.6 -68.6 -40.6 28.0 -3.9 21.7 28.7 -2.8 22.5 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.4858 0.3619 -0.7956 -0.7941 -0.1977 -0.5748 -0.3653 0.9110 0.1913 30 35 3 S H > S+ 0 0 28 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.000 112.7 48.3 -69.3 -36.5 30.9 -5.3 19.6 32.2 -6.0 20.1 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.0919 -0.4685 -0.8787 -0.3297 0.8183 -0.4708 0.9396 0.3330 -0.0792 31 36 3 V H X S+ 0 0 0 -4,-2.1 4,-1.1 2,-0.2 -2,-0.2 0.000 113.2 49.0 -66.0 -45.5 28.6 -7.8 18.0 27.7 -9.0 18.6 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.6749 0.0924 -0.7321 0.7344 0.1810 -0.6541 0.0721 -0.9791 -0.1900 32 37 3 A H >X>S+ 0 0 0 -4,-2.3 5,-3.3 -5,-0.3 3,-0.8 0.000 109.5 51.9 -57.1 -44.6 26.2 -4.9 17.4 25.5 -4.1 18.4 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.0276 0.7534 -0.6569 -0.1846 -0.6497 -0.7374 -0.9824 0.1009 0.1570 33 38 3 D H ><5S+ 0 0 120 -4,-2.9 3,-1.1 1,-0.3 -1,-0.2 0.000 108.9 52.3 -54.9 -47.1 29.1 -2.8 15.9 30.5 -2.3 16.4 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.4366 0.0473 -0.8984 -0.8398 0.3796 -0.3881 0.3227 0.9239 0.2054 34 39 3 K H 3<5S+ 0 0 132 -4,-2.3 -1,-0.3 1,-0.3 -2,-0.2 0.000 112.5 43.0 -61.6 -26.5 29.9 -5.7 13.6 30.4 -7.0 14.1 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.3772 -0.4479 -0.8106 0.2638 0.7870 -0.5577 0.8878 -0.4242 -0.1787 35 40 3 M H <<5S- 0 0 22 -4,-1.1 -1,-0.3 -3,-0.8 -2,-0.2 0.000 115.4-111.9-102.8 2.3 26.3 -6.0 12.3 25.2 -6.8 13.1 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.7261 0.4414 -0.5272 0.5925 0.0126 -0.8055 -0.3489 -0.8972 -0.2707 36 41 3 G T <<5S+ 0 0 68 -3,-1.1 -3,-0.2 -4,-0.6 2,-0.2 0.000 82.6 98.9 76.2 28.7 25.9 -2.3 11.9 25.5 -2.4 10.5 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.6974 0.6898 0.1945 0.5987 0.4115 0.6871 0.3940 0.5956 -0.7000 37 42 3 M S > - 0 0 43 -2,-0.2 4,-1.8 -3,-0.1 3,-0.6 0.000 34.7-109.9-107.0 160.0 23.1 -0.9 18.4 22.2 0.2 18.7 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.0676 -0.2884 0.9551 0.9572 -0.2513 -0.1436 0.2815 0.9239 0.2591 39 44 3 Q H 3> S+ 0 0 79 1,-0.2 4,-3.0 -2,-0.2 5,-0.2 0.000 117.8 57.3 -49.7 -43.9 23.5 -3.0 21.6 24.2 -2.5 22.8 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.6048 -0.5915 0.5332 0.0500 -0.6965 -0.7159 0.7948 -0.4063 0.4508 40 45 3 S H 3> S+ 0 0 98 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.000 106.3 49.3 -53.6 -46.1 19.7 -2.7 22.3 19.0 -1.4 22.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.8238 -0.4814 -0.2993 0.2075 -0.7474 0.6312 -0.5276 0.4578 0.7156 41 46 3 G H <> S+ 0 0 18 -3,-0.6 4,-1.2 2,-0.2 -1,-0.2 0.000 112.7 46.2 -65.5 -38.2 19.0 -4.3 18.9 19.4 -3.7 17.6 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.0069 -0.9124 -0.4092 -0.7842 -0.2489 0.5683 -0.6204 0.3249 -0.7138 42 47 3 V H X S+ 0 0 0 -4,-1.8 4,-2.6 2,-0.2 3,-0.4 0.000 110.0 53.2 -71.1 -44.9 21.3 -7.2 19.5 22.8 -7.0 19.6 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.0012 -0.8348 0.5506 -0.7352 -0.3740 -0.5653 0.6778 -0.4041 -0.6142 43 48 3 G H X S+ 0 0 7 -4,-3.0 4,-2.1 1,-0.2 -2,-0.2 0.000 105.1 56.3 -57.8 -39.4 20.0 -7.7 23.0 20.0 -6.7 24.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.8161 -0.4427 0.3714 0.3670 -0.8936 -0.2586 0.4463 -0.0747 0.8917 44 49 3 A H <>S+ 0 0 15 -4,-2.1 5,-3.2 1,-0.2 6,-1.3 0.000 109.3 45.9 -60.2 -37.7 16.4 -7.9 21.6 15.7 -6.9 20.8 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.5703 -0.7113 -0.4109 -0.0317 -0.4808 0.8762 -0.8208 0.5128 0.2516 45 50 3 L H ><5S+ 0 0 9 -4,-1.2 3,-1.3 -3,-0.4 -2,-0.2 0.000 113.3 48.4 -70.1 -49.0 17.4 -10.7 19.2 18.4 -10.7 18.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.1970 -0.9773 0.0777 -0.9572 -0.1746 0.2308 -0.2120 -0.1198 -0.9699 46 51 3 F H 3<5S+ 0 0 3 -4,-2.6 -32,-0.3 1,-0.3 -2,-0.2 0.000 113.4 49.5 -60.8 -31.2 19.4 -12.7 21.9 20.6 -12.2 22.7 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.2253 -0.5768 0.7852 -0.3434 -0.7071 -0.6181 0.9118 -0.4089 -0.0388 47 52 3 N T 3<5S- 0 0 82 -4,-2.1 -1,-0.3 -5,-0.2 -2,-0.2 0.000 112.9-111.5 -96.1 12.6 16.5 -12.3 24.3 16.5 -11.2 25.4 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.9453 -0.2448 0.2155 0.2321 -0.9691 -0.0830 0.2292 -0.0285 0.9730 48 53 3 G T < 5S+ 0 0 10 -3,-1.3 -46,-0.4 2,-0.2 -3,-0.2 0.000 84.7 118.1 64.2 33.0 13.7 -13.5 22.1 13.3 -14.6 22.9 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.9484 0.2679 -0.1694 0.2499 0.3032 -0.9196 -0.1950 -0.9145 -0.3545 49 54 3 I S - 0 0 76 -2,-0.2 4,-2.0 1,-0.0 5,-0.2 0.000 36.9 -91.1-123.8 173.3 15.4 -13.1 9.8 15.1 -11.8 9.1 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.3776 -0.3586 -0.8537 -0.3514 -0.9085 0.2262 -0.8567 0.2146 -0.4690 54 59 3 A H > S+ 0 0 8 -2,-0.2 4,-2.2 1,-0.2 5,-0.1 0.000 121.2 50.2 -56.3 -43.1 17.8 -14.9 7.2 17.4 -15.3 5.9 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.9628 0.0516 -0.2652 0.2663 -0.3461 0.8996 -0.0453 -0.9368 -0.3470 55 60 3 Y H > S+ 0 0 98 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.000 114.7 40.6 -62.0 -56.3 20.3 -11.9 6.9 19.9 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0.000 107.1-126.0 -93.8 -9.4 4.8 -20.5 -19.3 5.6 -19.8 -18.2 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.7152 -0.1649 0.6792 -0.1710 -0.9009 -0.3989 0.6777 -0.4014 0.6161 117 30 4 G T <<5 + 0 0 63 -3,-0.7 2,-0.2 -4,-0.5 -3,-0.2 0.000 54.6 157.3 63.2 51.1 1.1 -19.5 -19.5 0.5 -20.9 -19.4 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.6782 0.3781 0.6301 -0.0031 0.8560 -0.5169 -0.7349 -0.3525 -0.5794 118 31 4 L < - 0 0 19 -5,-3.1 2,-0.3 -6,-0.1 -1,-0.2 0.000 28.4-178.8-110.4 161.9 1.4 -16.7 -16.9 2.8 -16.3 -16.5 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.3448 0.8646 0.3655 -0.8510 -0.4522 0.2669 0.3960 -0.2190 0.8917 119 32 4 S > - 0 0 47 -2,-0.2 4,-3.0 1,-0.1 5,-0.2 0.000 44.1-109.2-146.1 158.2 -0.5 -13.5 -16.0 -2.0 -13.6 -16.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.0858 0.8020 0.5911 0.7825 0.4215 -0.4583 -0.6167 0.4232 -0.6638 120 33 4 Q H > S+ 0 0 36 -2,-0.3 4,-2.7 1,-0.2 5,-0.1 0.000 122.2 52.9 -61.7 -34.1 0.3 -11.0 -13.3 0.3 -9.5 -13.3 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.1952 0.0227 0.9805 0.6186 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-16.2 -6.6 -2.5 -16.9 -7.6 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.2088 -0.8536 0.4772 0.0227 0.4921 0.8702 -0.9777 -0.1708 0.1221 126 39 4 K H 3<5S+ 0 0 142 -4,-2.3 -1,-0.3 1,-0.3 -2,-0.2 0.000 114.7 42.0 -61.2 -26.8 1.5 -18.2 -6.6 2.5 -18.5 -7.8 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.7881 -0.1302 0.6017 -0.5865 -0.4559 0.6695 0.1871 -0.8805 -0.4356 127 40 4 M H <<5S- 0 0 24 -4,-1.4 -1,-0.3 -3,-0.6 -2,-0.2 0.000 113.2-115.4 -98.9 -6.3 3.2 -15.9 -4.4 3.9 -14.6 -4.8 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.0176 0.3594 0.9330 0.1286 -0.9246 0.3586 0.9915 0.1263 -0.0299 128 41 4 G T <<5S+ 0 0 72 -4,-1.0 2,-0.2 -3,-1.0 -3,-0.2 0.000 80.9 96.7 76.9 37.6 0.2 -15.3 -2.1 0.9 -15.9 -0.9 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.3631 0.7495 0.5535 -0.8365 -0.0005 -0.5480 -0.4105 -0.6620 0.6271 129 42 4 M S > - 0 0 42 -2,-0.2 4,-1.8 -3,-0.1 3,-0.8 0.000 38.0 -99.6-100.8 172.3 -2.5 -9.5 -5.2 -3.4 -8.5 -4.7 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.0841 0.3552 -0.9310 0.0804 -0.9289 -0.3616 -0.9932 -0.1052 0.0496 131 44 4 Q H 3> S+ 0 0 83 1,-0.3 4,-2.8 2,-0.2 5,-0.2 0.000 123.1 54.7 -54.8 -37.5 -1.9 -8.3 -8.8 -2.9 -8.2 -9.9 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.5225 0.7456 -0.4136 0.8526 -0.4582 0.2513 -0.0022 -0.4839 -0.8751 132 45 4 S H 3> S+ 0 0 94 2,-0.2 4,-2.1 1,-0.2 -1,-0.3 0.000 104.2 54.7 -67.8 -30.5 -1.0 -4.8 -7.5 -1.8 -3.7 -6.9 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.8290 0.4228 0.3662 0.4816 -0.2064 -0.8518 -0.2845 0.8824 -0.3747 133 46 4 G H <> S+ 0 0 20 -3,-0.8 4,-1.4 2,-0.2 -2,-0.2 0.000 114.5 40.5 -65.7 -42.1 1.7 -6.3 -5.2 1.5 -7.4 -4.2 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.9493 -0.2880 -0.1258 0.2744 0.9547 -0.1151 0.1532 0.0747 0.9854 134 47 4 V H X S+ 0 0 0 -4,-1.8 4,-2.7 2,-0.2 5,-0.2 0.000 112.2 55.1 -71.8 -39.7 3.3 -8.1 -8.3 2.8 -9.2 -9.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.4979 0.2694 -0.8243 0.7714 0.2966 0.5630 0.3961 -0.9162 -0.0602 135 48 4 G H X S+ 0 0 7 -4,-2.8 4,-2.5 -5,-0.2 -2,-0.2 0.000 105.1 55.0 -59.4 -38.7 2.7 -5.0 -10.5 1.4 -4.3 -10.6 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.4853 0.8624 -0.1443 0.7294 -0.4903 -0.4770 -0.4821 0.1263 -0.8670 136 49 4 A H <>S+ 0 0 10 -4,-2.1 5,-3.0 2,-0.2 6,-1.1 0.000 110.9 44.3 -60.8 -45.8 4.7 -2.9 -7.9 4.3 -2.8 -6.4 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.9654 0.1592 0.2066 0.0942 0.5259 -0.8453 -0.2432 0.8355 0.4927 137 50 4 L H ><5S+ 0 0 7 -4,-1.4 3,-1.3 1,-0.2 -2,-0.2 0.000 115.2 47.5 -64.7 -48.9 7.7 -5.3 -8.1 7.7 -6.8 -7.8 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.7281 -0.1773 -0.6621 0.4110 0.8860 0.2147 0.5485 -0.4284 0.7180 138 51 4 F H 3<5S+ 0 0 3 -4,-2.7 -32,-0.3 1,-0.3 -1,-0.2 0.000 114.3 46.7 -60.7 -39.6 7.6 -5.5 -11.8 6.5 -6.1 -12.8 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.2686 0.5949 -0.7576 0.9606 -0.1068 0.2566 0.0717 -0.7967 -0.6001 139 52 4 N T 3<5S- 0 0 84 -4,-2.5 -1,-0.3 -5,-0.2 -2,-0.2 0.000 113.4-109.3 -91.4 15.1 7.3 -1.8 -12.2 6.0 -1.1 -12.5 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.4293 0.8915 0.1446 0.8116 -0.3106 -0.4949 -0.3963 0.3298 -0.8569 140 53 4 G T < 5S+ 0 0 14 -3,-1.3 -46,-0.3 2,-0.2 -3,-0.2 0.000 85.7 115.7 65.2 35.1 10.0 -0.7 -9.8 10.8 0.1 -10.8 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.1313 0.6899 0.7119 0.0317 -0.7207 0.6925 0.9908 -0.0683 -0.1165 141 54 4 I S - 0 0 83 -2,-0.1 4,-2.1 1,-0.0 5,-0.2 0.000 38.0 -93.9-125.4 173.8 14.0 -8.8 -1.2 13.3 -8.8 0.1 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.5626 -0.7536 0.3400 0.8025 0.3989 -0.4438 0.1988 0.5225 0.8291 146 59 4 A H > S+ 0 0 11 -2,-0.3 4,-1.9 1,-0.2 5,-0.1 0.000 122.4 49.7 -60.4 -37.9 15.9 -12.1 -1.3 17.0 -12.5 -0.4 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.2041 -0.9489 -0.2406 -0.1706 0.2765 -0.9458 0.9640 -0.1520 -0.2183 147 60 4 Y H > S+ 0 0 110 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.000 113.3 43.2 -66.1 -50.6 12.8 -14.2 -0.6 12.1 -14.2 0.7 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.7729 -0.3736 -0.5129 0.6267 -0.5764 -0.5245 -0.0996 -0.7268 0.6796 148 61 4 N H > S+ 0 0 27 2,-0.2 4,-2.5 1,-0.2 5,-0.3 0.000 112.9 54.5 -62.4 -41.5 10.6 -12.7 -3.4 10.2 -11.2 -3.5 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.0131 0.0033 -0.9999 -0.3495 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-44.6 13.1 -16.9 -10.2 14.4 -17.0 -9.6 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.1777 -0.8563 -0.4849 -0.4820 0.3538 -0.8015 0.8580 0.3762 -0.3499 154 67 4 K H ><5S+ 0 0 85 -4,-2.0 3,-0.7 3,-0.2 -2,-0.2 0.000 112.1 49.8 -63.6 -45.8 11.5 -20.2 -9.6 11.2 -20.9 -8.3 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.7197 -0.5498 -0.4240 0.5658 -0.1105 -0.8171 0.4024 -0.8280 0.3906 155 68 4 I H 3<5S+ 0 0 23 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.000 118.2 39.6 -61.6 -40.6 8.2 -19.3 -11.1 7.3 -18.1 -10.5 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.3610 0.1222 -0.9245 0.0581 -0.9865 -0.1531 -0.9308 -0.1090 0.3490 156 69 4 L H 3<5S- 0 0 0 -4,-2.7 -1,-0.2 -5,-0.1 -2,-0.2 0.000 108.7-126.3 -88.8 -1.0 9.8 -17.9 -14.2 10.4 -16.4 -14.3 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.5679 -0.2456 -0.7856 -0.7234 -0.6043 -0.3339 -0.3928 0.7579 -0.5208 157 70 4 K T <<5S+ 0 0 144 -3,-0.7 2,-0.2 -4,-0.5 -3,-0.2 0.000 70.3 110.4 53.6 55.4 12.3 -20.6 -14.4 11.9 -21.8 -15.2 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.9236 -0.1143 -0.3659 0.3804 0.1543 0.9119 -0.0477 -0.9814 0.1859 158 71 4 V S - 0 0 26 -2,-0.2 3,-1.9 1,-0.1 4,-0.3 0.000 33.6-114.2-104.3 156.8 18.2 -18.0 -11.9 19.6 -18.4 -11.9 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.2251 0.6393 0.7353 -0.8724 -0.2037 0.4442 0.4338 -0.7415 0.5119 160 73 4 V G >> S+ 0 0 0 -76,-2.3 4,-3.3 -2,-0.3 3,-2.2 0.000 112.3 66.2 -53.0 -39.2 18.0 -14.9 -9.7 18.2 -14.9 -8.2 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.3703 0.9260 -0.0734 -0.6652 0.2092 -0.7167 -0.6483 0.3143 0.6935 161 74 4 E G 34 S+ 0 0 78 1,-0.3 -1,-0.3 -77,-0.3 -76,-0.1 0.000 84.2 71.3 -63.5 -13.2 21.2 -13.6 -11.3 22.6 -14.0 -11.2 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.2662 0.5363 -0.8009 -0.5687 0.7583 0.3188 0.7783 0.3706 0.5068 162 75 4 E G <4 S+ 0 0 107 -3,-1.9 -1,-0.3 2,-0.2 -2,-0.2 0.000 119.5 17.2 -73.6 -16.5 19.6 -13.2 -14.7 18.8 -14.2 -15.4 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.4326 0.7528 -0.4962 0.8708 0.4915 -0.0135 0.2338 -0.4379 -0.8681 163 76 4 F T <4 S+ 0 0 0 -3,-2.2 -59,-0.2 -4,-0.3 -58,-0.2 0.000 139.5 23.0-121.1 -31.3 17.7 -10.3 -13.2 16.1 -10.3 -13.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.0045 0.8602 0.5099 0.6850 0.3741 -0.6251 -0.7285 0.3465 -0.5910 164 77 4 S X + 0 0 0 -4,-3.3 4,-2.2 -5,-0.1 5,-0.2 0.000 50.4 173.1-144.2 90.4 19.5 -9.3 -10.1 18.6 -9.1 -8.9 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.7617 0.0432 0.6465 0.5600 0.4580 -0.6904 -0.3259 0.8879 0.3247 165 78 4 P H > S+ 0 0 71 0, 0.0 4,-2.0 0, 0.0 5,-0.2 0.000 84.1 57.1 -61.2 -35.5 23.1 -10.2 -9.7 24.1 -9.6 -10.5 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.6392 -0.0698 0.7658 -0.4527 -0.8392 0.3013 0.6216 -0.5393 -0.5681 166 79 4 S H > S+ 0 0 39 2,-0.2 4,-1.9 1,-0.2 5,-0.1 0.000 108.6 43.9 -66.1 -41.5 23.3 -8.3 -6.5 23.1 -6.8 -6.3 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.1869 -0.1713 0.9673 0.7081 -0.7060 0.0118 0.6810 0.6871 0.2533 167 80 4 I H > S+ 0 0 16 2,-0.2 4,-2.8 1,-0.2 5,-0.2 0.000 110.7 57.8 -67.9 -38.0 20.5 -10.2 -4.7 19.0 -10.1 -5.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.0756 -0.9194 0.3860 0.6899 0.2313 0.6859 -0.7199 0.3181 0.6169 168 81 4 A H X S+ 0 0 9 -4,-2.2 4,-2.2 1,-0.2 -2,-0.2 0.000 108.8 46.6 -55.7 -41.0 22.0 -13.4 -6.1 22.4 -13.7 -7.5 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.7381 -0.6015 0.3057 -0.5688 -0.3110 0.7614 -0.3629 -0.7359 -0.5717 169 82 4 R H X S+ 0 0 170 -4,-2.0 4,-2.5 2,-0.2 -1,-0.2 0.000 109.0 51.2 -72.6 -35.4 25.2 -12.5 -4.3 26.3 -11.6 -4.9 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.3721 0.0362 0.9275 -0.1500 -0.9838 0.0986 0.9160 -0.1758 -0.3607 170 83 4 E H X S+ 0 0 58 -4,-1.9 4,-1.5 2,-0.2 -2,-0.2 0.000 111.4 50.1 -66.8 -37.7 23.6 -11.6 -1.1 22.5 -10.5 -0.9 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.3370 -0.5342 0.7753 0.9391 -0.2491 0.2367 0.0667 0.8079 0.5856 171 84 4 I H X S+ 0 0 0 -4,-2.8 4,-1.9 2,-0.2 -2,-0.2 0.000 110.5 50.8 -64.6 -40.6 21.8 -15.0 -1.2 20.8 -15.5 -2.3 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.2685 -0.9493 0.1633 0.0891 0.1933 0.9771 -0.9591 -0.2478 0.1365 172 85 4 Y H X S+ 0 0 100 -4,-2.2 4,-1.6 1,-0.2 -2,-0.2 0.000 108.6 50.4 -66.1 -41.2 25.2 -16.7 -1.9 26.1 -16.6 -3.2 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.7911 -0.2402 0.5626 -0.5627 -0.6467 0.5150 0.2401 -0.7239 -0.6467 173 86 4 E H < S+ 0 0 58 -4,-2.5 4,-0.4 1,-0.2 -1,-0.2 0.000 108.7 51.3 -67.4 -28.7 26.8 -15.0 1.0 27.1 -13.5 1.2 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.0061 -0.1207 0.9927 0.4546 -0.8839 -0.1102 0.8907 0.4519 0.0495 174 87 4 M H >< S+ 0 0 5 -4,-1.5 3,-1.6 1,-0.2 4,-0.3 0.000 107.3 56.0 -71.3 -37.3 24.0 -16.1 3.4 22.4 -15.7 3.3 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.2280 -0.8359 0.4993 0.8057 0.1260 0.5788 -0.5467 0.5342 0.6448 175 88 4 Y H >X S+ 0 0 46 -4,-1.9 4,-2.6 1,-0.3 3,-1.6 0.000 93.8 65.9 -62.3 -34.4 24.5 -19.6 2.1 24.5 -19.9 0.6 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.6497 -0.7440 0.1560 -0.4396 -0.2004 0.8755 -0.6202 -0.6374 -0.4573 176 89 4 E T 3< S+ 0 0 82 -4,-1.6 -1,-0.3 1,-0.3 -2,-0.2 0.000 97.3 57.3 -61.4 -23.3 28.1 -19.5 3.1 29.2 -18.3 2.9 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.4787 -0.2297 0.8474 -0.1863 -0.9698 -0.1576 0.8580 -0.0824 -0.5070 177 90 4 A T <4 S+ 0 0 7 -3,-1.6-110,-2.2 -4,-0.4 -1,-0.3 0.000 111.9 40.0 -84.2 -8.1 26.8 -19.3 6.8 26.2 -18.1 7.4 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.3468 -0.5819 0.7356 0.8608 -0.5090 0.0032 0.3726 0.6343 0.6774 178 91 4 V T <4 0 0 12 -3,-1.6 -2,-0.2 -4,-0.3-110,-0.1 0.000 360.0 360.0-103.0 -46.5 24.9 -22.6 6.4 23.5 -22.8 5.8 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.0941 -0.9949 -0.0369 0.4446 0.0089 0.8957 -0.8908 -0.1006 0.4432 179 92 4 S < 0 0 118 -4,-2.6 -3,-0.1-113,-0.1-112,-0.1 0.000 360.0 360.0 -67.5 360.0 27.3 -24.6 4.4 27.6 -24.5 2.9 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.8974 -0.4021 0.1817 -0.4076 -0.5975 0.6906 -0.1691 -0.6938 -0.7000 printout DONE