NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1H T 4.6320 8.1593 117.4109 63.6481 71.8848 173.3654 1G F 4.4224 9.2630 120.6993 54.8024 42.0700 174.6207 1F G 3.8140 9.6631 107.8498 47.4912 0.0000 172.9127 1E S 3.5719 9.6776 116.0565 58.4469 62.4127 174.2332 1D G 3.7805 8.8566 112.0620 46.0909 0.0000 176.0827 1C E 4.7281 8.9174 116.5419 56.1768 29.6269 175.6112 1B A 4.5503 8.4585 127.2819 54.5711 22.5520 177.4624 1A D 4.7245 8.1711 112.6292 53.7179 41.7742 175.7223 1 C 3.9978 8.0033 112.7164 60.3933 29.7009 174.2214 2 G 3.7873 8.7178 108.1456 45.9556 0.0000 173.3430 3 L 4.5510 7.4048 120.1251 52.6504 42.4205 176.4700 4 R 4.2456 9.1512 124.7554 55.0738 30.7785 176.3577 5 P 4.2560 0.0000 0.0000 65.6037 31.4115 177.3494 6 L 4.1520 7.8114 114.5416 55.0289 42.2674 176.3646 7 F 4.5535 7.7559 115.1238 57.6636 42.0610 176.8806 8 E 4.0168 9.0826 122.1831 60.0905 30.1291 180.0640 9 K 4.0345 8.1679 115.5516 58.5718 32.1458 177.7064 10 K 4.3664 7.7311 115.1131 55.3171 32.9107 175.5585 11 S 3.8309 7.9261 112.3930 59.5441 61.0099 170.5621 12 L 4.8692 8.1501 117.2912 52.5694 44.0642 176.0085 13 E 4.9423 8.5300 120.5606 54.5568 31.9312 175.8951 14 D 4.6387 9.2810 122.6529 52.1166 40.4122 177.5769 14A K 4.0852 8.4519 118.5791 59.3096 32.8142 177.6451 14B T 4.5964 8.5614 108.4219 60.2515 69.9231 175.3530 14C E 3.8938 8.0367 122.5005 59.6584 29.2051 178.7531 14D R 3.7998 8.0432 119.3122 59.4810 29.6943 177.5074 14E E 3.8070 7.7449 117.5054 59.3454 29.7558 178.6753 14F L 3.7758 7.5080 118.0542 57.7901 41.9482 179.2399 14G L 3.6098 7.5986 118.6995 57.8332 41.5966 179.3669 14H E 4.0899 8.7818 118.2657 58.2071 29.3364 178.5451 14I S 4.4692 7.7864 114.0116 59.3457 63.3124 174.1031 14J Y 4.8856 7.1861 120.0267 58.3528 38.3898 175.3409 14K I 3.0177 8.3219 109.2869 61.9364 36.2453 169.9566 14L D 4.2825 8.2363 126.2071 53.9607 42.9580 173.5141 14M G 3.8992 8.7000 115.1229 45.1608 0.0000 172.9544 15 R 4.0448 8.3662 118.1943 56.4090 30.0297 175.6502 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 1H T 8.16 4.63 4.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 1G F 9.26 4.42 0.00 3.20 2.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1F G 9.66 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1E S 9.68 3.57 0.00 3.83 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1D G 8.86 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1C E 8.92 4.73 0.00 1.93 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.25 0.00 1B A 8.46 4.55 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1A D 8.17 4.72 0.00 2.77 2.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1 C 8.00 4.00 0.00 3.09 2.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2 G 8.72 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 L 7.40 4.55 0.00 1.69 1.65 0.98 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 4 R 9.15 4.25 0.00 2.21 2.05 0.00 3.21 0.00 0.00 3.16 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.70 0.00 5 P 0.00 4.26 0.00 2.04 2.12 0.00 3.72 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.14 0.00 6 L 7.81 4.15 0.00 1.48 1.03 0.84 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 7 F 7.76 4.55 0.00 3.10 2.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 E 9.08 4.02 0.00 2.20 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.48 0.00 9 K 8.17 4.03 0.00 1.96 1.88 0.00 1.73 0.00 0.00 1.72 0.00 0.00 3.01 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.54 1.43 7.81 10 K 7.73 4.37 0.00 1.63 1.75 0.00 1.86 0.00 0.00 1.61 0.00 0.00 2.82 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.29 1.47 7.81 11 S 7.93 3.83 0.00 4.03 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 L 8.15 4.87 0.00 1.50 1.56 0.82 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 13 E 8.53 4.94 0.00 1.99 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.31 0.00 14 D 9.28 4.64 0.00 2.40 1.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14A K 8.45 4.09 0.00 1.88 2.01 0.00 1.52 0.00 0.00 1.76 0.00 0.00 3.02 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.41 1.40 7.81 14B T 8.56 4.60 4.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 14C E 8.04 3.89 0.00 2.30 2.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.28 0.00 14D R 8.04 3.80 0.00 1.86 1.95 0.00 3.17 0.00 0.00 3.23 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.83 0.00 14E E 7.74 3.81 0.00 2.09 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.32 0.00 14F L 7.51 3.78 0.00 1.84 1.36 0.84 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 14G L 7.60 3.61 0.00 1.58 1.69 1.06 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 14H E 8.78 4.09 0.00 1.88 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.37 0.00 14I S 7.79 4.47 0.00 3.99 4.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14J Y 7.19 4.89 0.00 3.03 2.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14K I 8.32 3.02 1.90 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.49 0.94 0.00 0.00 14L D 8.24 4.28 0.00 2.85 2.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14M G 8.70 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 R 8.37 4.04 0.00 1.82 1.86 0.00 3.29 0.00 0.00 3.28 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.70 0.00