NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 R 4.1448 8.2549 120.8474 55.0279 31.4711 175.1765 2 P 4.0248 0.0000 0.0000 62.1123 32.0419 175.8174 3 A 4.0292 8.5379 124.2803 55.1775 19.2169 179.7618 4 F 4.2800 8.1277 112.7010 60.1854 37.6540 177.9658 5 C 4.5191 7.4758 115.8773 58.7953 39.9873 174.6917 6 L 4.3569 7.7569 118.9798 53.6461 42.1556 176.1533 7 E 4.1864 7.7216 121.2184 54.8532 30.2536 174.7396 8 P 4.3251 0.0000 0.0000 61.6536 32.0886 174.3211 9 P 3.8011 0.0000 0.0000 62.4334 31.6644 175.1817 10 Y 4.5641 7.9701 122.1205 55.5659 40.0595 175.0311 11 A 4.2502 8.4419 131.5307 53.6485 18.7513 178.3851 12 G 3.7749 6.5382 102.5295 44.1798 0.0000 171.2059 13 P 4.4524 0.0000 0.0000 62.8029 31.8073 176.6559 14 G 3.6853 7.5159 108.7956 45.6016 0.0000 174.4139 15 K 4.1382 8.2597 118.0850 56.4702 32.8716 177.0827 16 A 4.1265 7.7260 121.9364 51.8056 19.7149 177.1064 17 R 4.8559 8.0238 116.4904 54.3001 30.0056 174.2891 18 I 4.4184 8.3911 121.9679 59.3479 40.0417 175.5921 19 I 4.2384 8.2968 127.9651 61.1898 37.7170 175.3482 20 R 4.8404 8.3375 125.2019 54.4577 34.7203 173.7252 21 Y 5.6144 9.3701 117.3131 56.4485 41.5432 175.2570 22 F 5.7959 9.6071 117.2044 55.1930 42.1181 173.2694 23 Y 4.3327 9.7737 122.6798 57.4302 39.9095 174.0018 24 N 4.7381 8.3783 127.4103 51.9367 38.7003 175.3492 25 A 3.5938 8.3937 129.8002 54.5718 18.9538 178.6399 26 A 4.0267 7.8278 118.1386 54.7240 18.4930 178.3425 27 A 4.2140 7.9657 116.6217 51.8610 19.6339 177.5565 28 G 3.9707 7.7836 103.1214 45.6557 0.0000 173.2358 29 A 4.8055 7.1754 119.1439 49.4968 22.8803 175.5900 30 A 4.9115 8.5139 121.9843 50.9938 20.1420 176.8300 31 Q 4.8398 8.7544 120.8859 53.8094 33.4020 174.8810 32 A 4.3967 8.7130 122.9098 52.0669 19.5668 176.6615 33 F 4.9452 8.8278 114.3221 55.7216 42.0406 173.1841 34 V 4.3320 8.4234 120.0383 61.9436 32.3956 174.1769 35 Y 4.8561 8.9521 129.8800 55.9880 40.9660 176.0452 36 G 3.9337 8.0168 112.2572 45.6784 0.0000 175.2910 37 G 3.7332 6.1493 108.7050 44.5109 0.0000 173.4343 38 A 4.6998 6.4736 120.7557 51.3238 22.0790 175.5828 39 R 3.8936 8.8928 117.7224 56.6336 27.5466 176.9983 40 A 4.0917 8.3681 119.0611 52.8559 18.9789 178.2609 41 K 4.4300 8.2866 121.2470 54.7464 34.4249 176.7959 42 R 3.7177 7.6550 118.7174 59.0668 30.1717 177.4944 43 N 5.0454 7.7834 117.7951 51.4576 36.9965 173.1172 44 N 5.1790 7.1561 117.2605 52.7000 41.6880 173.2254 45 F 5.0782 9.7177 124.9062 55.5409 43.0989 176.4061 46 A 4.2099 9.0898 123.7515 54.5720 18.9636 178.3534 47 S 4.3542 7.8487 109.2526 55.5231 67.4198 174.7061 48 A 3.7344 7.1729 124.0945 55.3163 18.0396 179.9261 49 A 3.8482 7.6836 118.6133 55.2706 18.5660 179.3663 50 D 4.2102 8.0072 117.1300 57.5528 40.9649 178.9547 51 A 2.5800 7.5812 120.8831 54.5407 18.2132 179.7318 52 L 3.8002 7.9245 117.3653 57.7503 41.4477 179.5261 53 A 3.8837 7.7993 119.7373 55.0207 18.3413 179.2271 54 A 4.1460 7.4718 118.1950 54.4655 18.6794 177.6266 55 C 4.4149 7.5748 110.9082 56.2928 42.3856 175.3173 56 A 3.5274 7.8731 122.4850 54.3646 18.1898 178.2009 57 A 4.0480 7.5116 117.7007 51.5105 19.1885 177.1574 58 A 4.1414 8.5719 123.0222 52.7123 18.3453 177.6431 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 R 8.25 4.14 0.00 1.86 1.85 0.00 3.25 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 1.36 1.49 0.00 2 P 0.00 4.02 0.00 1.41 1.85 0.00 3.35 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 1.92 2.07 0.00 3 A 8.54 4.03 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 0.00 0.00 0.00 0.00 0.00 4 F 8.13 4.28 0.00 3.30 3.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 C 7.48 4.52 0.00 2.92 3.18 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 6 L 7.76 4.36 0.00 1.73 1.74 0.94 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 7 E 7.72 4.19 0.00 2.06 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.28 0.00 8 P 0.00 4.33 0.00 2.00 1.87 0.00 3.72 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.06 0.00 9 P 0.00 3.80 0.00 0.49 0.49 0.00 3.21 0.00 0.00 2.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.44 0.00 10 Y 7.97 4.56 0.00 2.77 2.91 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 0.00 0.00 0.00 11 A 8.44 4.25 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 6.54 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 P 0.00 4.45 0.00 2.17 2.17 0.00 3.94 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 1.96 2.00 0.00 14 G 7.52 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.26 4.14 0.00 1.96 1.81 0.00 1.87 0.00 0.00 1.71 0.00 0.00 2.91 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.40 1.00 7.81 16 A 7.73 4.13 1.10 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 0.00 0.00 0.00 0.00 0.00 0.00 17 R 8.02 4.86 0.00 1.61 1.79 0.00 3.15 0.00 0.00 3.20 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.56 0.00 18 I 8.39 4.42 2.01 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.63 0.96 0.00 0.00 19 I 8.30 4.24 1.85 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.72 0.67 0.00 0.00 20 R 8.34 4.84 0.00 0.67 1.81 0.00 3.36 0.00 0.00 3.27 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.50 0.00 21 Y 9.37 5.61 0.00 3.27 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 22 F 9.61 5.80 0.00 3.40 3.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 Y 9.77 4.33 0.00 2.98 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.38 4.74 0.00 2.21 2.44 0.00 0.00 6.65 7.65 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 25 A 8.39 3.59 1.38 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 0.00 0.00 0.00 0.00 0.00 26 A 7.83 4.03 1.26 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 0.00 0.00 0.00 27 A 7.97 4.21 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.78 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 0.00 0.00 0.00 29 A 7.18 4.81 1.10 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 0.00 0.00 0.00 0.00 0.00 0.00 30 A 8.51 4.91 1.26 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 0.00 0.00 0.00 31 Q 8.75 4.84 0.00 1.64 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.93 0.00 0.00 0.00 0.00 0.00 2.21 2.19 0.00 32 A 8.71 4.40 1.04 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 33 F 8.83 4.95 0.00 3.07 3.10 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 0.00 0.00 0.00 0.00 34 V 8.42 4.33 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.72 0.00 0.00 0.91 0.00 0.00 35 Y 8.95 4.86 0.00 2.62 2.69 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.02 3.93 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 0.00 0.00 0.00 0.00 0.00 0.00 37 G 6.15 3.73 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 0.00 0.00 0.00 38 A 6.47 4.70 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 R 8.89 3.89 0.00 2.46 2.22 0.00 3.35 0.00 0.00 3.23 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.18 0.00 40 A 8.37 4.09 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 K 8.29 4.43 0.00 1.75 1.88 0.00 1.30 0.00 0.00 1.54 0.00 0.00 2.13 0.00 0.00 2.42 0.00 0.00 0.00 0.00 1.12 1.06 7.81 42 R 7.65 3.72 0.00 1.89 1.20 0.00 3.00 0.00 0.00 3.04 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 1.39 0.00 43 N 7.78 5.05 0.00 3.16 2.89 0.00 0.00 6.69 7.79 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 44 N 7.16 5.18 0.00 2.79 2.63 0.00 0.00 7.07 7.02 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 45 F 9.72 5.08 0.00 3.21 2.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 A 9.09 4.21 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 S 7.85 4.35 0.00 3.81 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 A 7.17 3.73 0.97 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 0.00 0.00 49 A 7.68 3.85 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 50 D 8.01 4.21 0.00 2.99 2.88 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 51 A 7.58 2.58 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 L 7.92 3.80 0.00 1.75 1.65 0.88 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 53 A 7.80 3.88 1.28 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 0.00 0.00 54 A 7.47 4.15 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 C 7.57 4.41 0.00 2.38 1.81 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 56 A 7.87 3.53 1.22 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 0.00 0.00 0.00 0.00 0.00 0.00 57 A 7.51 4.05 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 A 8.57 4.14 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00