NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1H T 4.3419 8.1744 110.9474 61.3347 69.2199 172.8486 1G F 4.0579 8.6719 129.3793 58.0628 40.1296 173.7095 1F G 3.5777 7.4358 114.9911 46.2920 0.0000 174.3022 1E S 4.0966 7.8621 116.2966 59.0943 63.4636 175.2465 1D G 3.8994 8.3494 107.7465 45.2331 0.0000 173.2902 1C E 4.4211 7.3580 116.4834 55.8792 30.9996 176.5967 1B A 4.0747 7.6981 121.4194 52.1663 18.9278 177.3033 1A D 4.6146 8.3309 121.1005 52.7692 39.9873 175.0609 1 C 4.8454 7.7427 119.1142 56.6466 33.0056 175.9529 2 G 4.0355 8.8329 106.8663 45.5047 0.0000 173.2965 3 L 4.6389 7.2872 118.6528 52.8344 43.3404 176.1891 4 R 4.4035 8.8945 123.6862 54.6301 31.0410 175.7786 5 P 4.2422 0.0000 0.0000 65.6824 31.4005 177.3383 6 L 4.1254 7.7997 114.4359 55.1162 42.2946 176.4899 7 F 4.7187 7.6682 114.4928 56.6069 41.8387 176.8308 8 E 4.0307 9.1691 122.5322 60.1041 30.1588 180.0369 9 K 3.9867 8.1763 115.6013 58.6250 32.1743 177.7901 10 K 4.4296 7.7851 115.4661 55.3896 32.5113 175.8120 11 S 3.8204 7.9884 113.4590 59.6351 61.1762 171.8397 12 L 4.8162 8.1567 119.4017 53.0166 43.6850 175.7732 13 E 5.0052 8.6226 121.9043 54.6380 31.5063 175.6792 14 D 4.6988 8.0620 122.0089 51.9562 40.8576 176.6755 14A K 3.9811 8.6668 119.0334 59.6140 31.9692 178.2989 14B T 4.5085 7.7231 105.4010 61.0933 69.3285 175.1279 14C E 3.8416 8.2338 124.8967 59.8554 29.4078 178.7805 14D R 3.8650 7.9697 118.1702 59.3051 29.8346 177.7631 14E E 3.8630 7.7020 118.1801 59.3393 29.7252 178.6228 14F L 3.8988 7.6038 118.9687 57.4176 41.6873 179.2117 14G L 3.9487 7.6608 119.7691 58.2804 41.7495 178.7533 14H E 4.0921 8.4681 118.5941 58.7463 29.0890 179.0851 14I S 3.8592 7.1683 113.5054 60.7691 63.2595 175.1500 14J Y 4.3778 7.2917 120.1871 60.8103 37.7908 175.8416 14K I 3.7595 7.2159 120.3607 61.7304 36.9112 175.3348 14L D 4.6731 8.5244 125.7720 53.1720 41.8789 176.5932 14M G 3.8780 8.4100 111.8441 44.7289 0.0000 174.0701 15 R 4.1156 8.5460 123.1633 56.5160 30.1853 176.4523 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 8.17 4.34 4.26 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 1.23 0.00 0.00 1G F 8.67 4.06 0.00 3.10 3.02 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 7.44 3.58 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 7.86 4.10 0.00 3.96 3.97 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 8.35 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 1C E 7.36 4.42 0.00 1.95 1.96 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 2.22 2.34 0.00 1B A 7.70 4.07 1.18 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 8.33 4.61 0.00 2.63 2.62 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 7.74 4.85 0.00 3.09 2.98 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 8.83 4.04 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 7.29 4.64 0.00 1.69 1.62 0.93 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 4 R 8.89 4.40 0.00 2.21 2.04 0.00 3.23 0.00 0.00 3.17 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.72 0.00 5 P 0.00 4.24 0.00 2.04 2.13 0.00 3.72 0.00 0.00 3.86 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 7.80 4.13 0.00 1.48 1.04 0.83 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 7 F 7.67 4.72 0.00 3.10 2.97 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 9.17 4.03 0.00 2.13 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 2.47 0.00 9 K 8.18 3.99 0.00 1.99 1.88 0.00 1.61 0.00 0.00 1.73 0.00 0.00 3.10 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.45 1.54 7.81 10 K 7.79 4.43 0.00 1.63 1.73 0.00 1.84 0.00 0.00 1.64 0.00 0.00 2.80 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.29 1.59 7.81 11 S 7.99 3.82 0.00 4.02 3.95 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 12 L 8.16 4.82 0.00 1.60 1.59 0.81 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 13 E 8.62 5.01 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 2.28 2.32 0.00 14 D 8.06 4.70 0.00 2.33 1.54 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 8.67 3.98 0.00 1.73 1.93 0.00 1.69 0.00 0.00 1.76 0.00 0.00 3.05 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.46 1.48 7.81 14B T 7.72 4.51 4.35 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 1.18 0.00 0.00 14C E 8.23 3.84 0.00 2.39 1.95 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 2.29 2.27 0.00 14D R 7.97 3.86 0.00 1.90 1.90 0.00 3.24 0.00 0.00 3.25 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.69 0.00 14E E 7.70 3.86 0.00 1.92 2.14 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 2.25 2.31 0.00 14F L 7.60 3.90 0.00 1.66 1.50 0.88 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 14G L 7.66 3.95 0.00 1.68 1.84 1.03 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 14H E 8.47 4.09 0.00 1.97 1.95 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 2.32 2.53 0.00 14I S 7.17 3.86 0.00 3.85 3.83 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 7.29 4.38 0.00 3.18 2.98 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 7.22 3.76 1.89 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.53 0.93 0.00 0.00 14L D 8.52 4.67 0.00 2.68 2.60 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 8.41 3.88 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 0.00 0.00 0.00 0.00 0.00 0.00 15 R 8.55 4.12 0.00 1.82 1.85 0.00 3.25 0.00 0.00 3.27 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.62 0.00