NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 K 4.2588 8.3144 121.7897 56.5709 32.9683 174.6487 2 L 4.5833 8.2044 127.0450 53.8841 42.8791 174.9534 3 P 4.5863 0.0000 0.0000 62.4127 34.0734 178.3851 4 E 3.7322 8.1785 118.6289 57.1793 29.2469 177.8207 5 A 4.0742 9.3048 130.9793 56.0490 18.7659 179.3580 6 Y 4.0686 9.0262 112.3645 60.5189 38.3346 180.1014 7 A 3.5873 8.6291 121.6597 54.5919 20.3020 180.3008 8 I 3.5233 6.9412 114.4596 63.5233 38.0111 177.1406 9 F 4.6477 9.0642 117.9543 57.2734 38.8252 176.8877 10 D 4.4528 8.2305 120.0708 57.9483 40.9735 176.7034 11 P 3.7223 0.0000 0.0000 65.7988 31.2221 177.6509 12 L 3.9777 8.3793 122.5459 58.7567 42.5539 179.1573 13 V 3.7839 8.0853 117.7521 66.0138 31.2235 177.8614 14 D 4.3609 8.4585 118.0817 57.1877 40.8493 178.1511 15 V 4.0191 7.3204 114.6448 63.7106 31.8646 176.9579 16 L 3.9293 7.9809 119.6468 56.7459 41.4790 176.0837 17 P 4.1138 0.0000 0.0000 64.8890 32.3042 177.7127 18 V 3.8057 8.4742 120.2839 65.7744 31.9176 178.0530 19 I 3.6499 7.8031 113.6953 63.8845 36.7749 175.5784 20 P 3.4666 0.0000 0.0000 65.1968 30.9230 178.7016 21 V 3.6732 8.5889 117.4770 65.9179 31.4627 177.9374 22 L 4.1665 7.7877 118.0324 57.0709 40.9705 179.3877 23 F 4.0762 8.3022 117.6322 60.2451 38.6002 177.1957 24 L 4.1636 8.2750 119.5651 58.0748 42.1978 178.4603 25 A 4.2394 8.1048 120.2233 55.3447 18.2073 179.0240 26 L 3.9471 7.8493 116.5528 58.2391 41.3363 179.5703 27 A 4.0058 7.7170 119.0207 55.7630 18.2264 179.6613 28 F 4.3313 8.6994 115.6286 60.2226 39.0372 178.4278 29 V 3.7115 7.9146 117.8574 65.4489 30.9556 177.4754 30 W 4.3124 9.3630 129.4683 60.8950 30.5148 178.0346 31 Q 3.8329 8.0465 116.9191 58.7490 28.0410 178.4848 32 A 3.5231 8.0549 121.6838 54.9502 18.1919 179.5658 33 A 3.9454 8.0939 118.2473 54.0621 18.3176 178.8970 34 V 4.1347 7.0671 115.6985 62.0396 31.8395 176.2728 35 G 3.8562 8.1942 102.6743 45.8369 0.0000 175.4547 36 F 4.5714 8.6831 116.4367 57.2491 37.6378 175.1619 37 R 4.1638 7.4626 124.5207 56.2896 29.9615 174.9694 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 1 K 8.31 4.26 0.00 1.74 1.83 0.00 1.71 0.00 0.00 1.73 0.00 0.00 2.95 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.35 1.46 7.81 2 L 8.20 4.58 0.00 1.79 1.52 0.93 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 3 P 0.00 4.59 0.00 2.26 1.96 0.00 3.82 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.05 0.00 4 E 8.18 3.73 0.00 2.31 1.34 0.00 0.00 0.00 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 2.27 0.00 5 A 9.30 4.07 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 Y 9.03 4.07 0.00 2.97 2.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 A 8.63 3.59 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 6.94 3.52 2.46 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.68 0.69 0.00 0.00 9 F 9.06 4.65 0.00 3.09 3.12 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 0.00 0.00 0.00 10 D 8.23 4.45 0.00 2.86 2.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 P 0.00 3.72 0.00 2.15 1.87 0.00 3.73 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.22 0.00 12 L 8.38 3.98 0.00 1.75 1.87 0.97 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 13 V 8.09 3.78 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 1.10 0.00 0.00 14 D 8.46 4.36 0.00 2.78 2.73 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.32 4.02 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 0.00 0.00 0.94 0.00 0.00 16 L 7.98 3.93 0.00 2.04 1.67 0.96 1.33 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 17 P 0.00 4.11 0.00 2.20 2.20 0.00 3.96 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.00 0.00 18 V 8.47 3.81 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.00 0.00 0.94 0.00 0.00 19 I 7.80 3.65 2.15 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.76 1.01 0.00 0.00 20 P 0.00 3.47 0.00 2.04 1.90 0.00 3.68 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.93 0.00 21 V 8.59 3.67 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.93 0.00 0.00 22 L 7.79 4.17 0.00 1.84 1.79 1.02 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 23 F 8.30 4.08 0.00 3.34 3.14 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 0.00 0.00 0.00 24 L 8.28 4.16 0.00 1.73 1.95 1.14 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 25 A 8.10 4.24 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 L 7.85 3.95 0.00 1.61 1.76 0.78 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 27 A 7.72 4.01 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 F 8.70 4.33 0.00 3.38 3.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 V 7.91 3.71 2.35 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 1.16 0.00 0.00 1.08 0.00 0.00 30 W 9.36 4.31 0.00 3.35 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 Q 8.05 3.83 0.00 2.64 2.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.58 0.00 0.00 0.00 0.00 0.00 2.85 2.59 0.00 32 A 8.05 3.52 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 A 8.09 3.95 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 V 7.07 4.13 1.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 0.00 0.00 0.43 0.00 0.00 35 G 8.19 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 F 8.68 4.57 0.00 3.14 3.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 R 7.46 4.16 0.00 1.78 1.72 0.00 3.28 0.00 0.00 3.24 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.51 0.00