NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 R 4.1781 8.2549 119.6870 54.8849 31.7630 175.0820 2 P 4.0090 0.0000 0.0000 62.2901 31.8080 176.3241 3 D 4.4089 8.3827 121.7043 56.9019 41.7059 178.5339 4 F 4.3493 7.8929 114.7251 59.5952 37.6008 177.7410 5 C 4.6915 7.5608 116.3951 59.0906 40.0371 174.6510 6 L 4.3671 7.7891 118.8194 53.9621 42.0676 176.4483 7 E 4.3347 7.5754 119.4548 54.7216 30.3072 174.9841 8 P 4.3863 0.0000 0.0000 61.4945 32.1122 174.3787 9 P 3.5432 0.0000 0.0000 62.7307 31.3128 175.2268 10 Y 4.6491 7.7811 121.2018 56.0791 40.4497 175.3741 11 T 4.1711 8.3101 125.3409 65.0776 68.8578 176.0128 12 G 3.6792 6.8623 105.1324 44.0175 0.0000 171.1605 13 P 4.3522 0.0000 0.0000 64.4865 32.1591 177.6354 14 C 4.5413 7.8728 117.0054 57.0257 40.8265 173.3468 15 T 4.6879 8.0063 109.9353 61.3737 68.7907 174.4237 16 A 4.2572 7.7980 124.7542 52.2928 20.7968 177.8260 17 R 4.6801 8.0192 117.3701 54.5246 29.5723 172.9565 18 I 4.3970 8.3554 122.4821 59.1475 39.7437 175.2764 19 I 4.2375 8.2778 128.3292 61.2544 37.7298 175.4129 20 R 4.8627 8.3582 124.8784 54.7043 35.0886 173.4622 21 Y 5.6112 9.4446 117.6803 56.5280 41.2162 175.3394 22 F 5.7535 9.5165 117.1020 55.3767 42.1031 172.8697 23 Y 4.4636 10.0845 122.5354 57.0784 40.2334 173.9626 24 N 4.7758 8.0609 125.9334 51.3507 38.6945 174.7515 25 A 3.9450 8.2576 129.3099 54.7779 18.8329 178.9507 26 K 4.0539 8.1794 114.8873 58.9059 32.1995 177.9816 27 A 4.2383 7.9965 119.6917 51.7788 19.8393 177.9675 28 G 4.0729 8.3909 103.3459 45.1288 0.0000 172.6418 29 L 4.9435 6.9967 118.0396 52.7508 46.4073 175.7677 30 C 4.9843 8.6568 117.4527 56.2105 40.1507 173.3255 31 Q 4.8937 8.5250 121.7174 54.1304 32.5180 174.6945 32 T 4.8967 8.3823 110.6647 61.2801 70.8021 173.6159 33 F 4.9886 8.8043 116.8083 56.0283 42.0341 172.8811 34 V 4.3508 8.4199 119.7900 62.0266 32.3360 174.1299 35 Y 4.7993 8.8338 130.1040 55.9502 40.3108 176.5068 36 G 3.7404 8.2982 113.7495 46.5218 0.0000 175.1018 37 G 3.7472 6.3970 107.5539 45.1419 0.0000 172.4198 38 C 4.9601 6.8065 112.0355 54.8282 44.6640 173.2321 39 R 3.8376 8.8527 116.6768 57.1467 27.0128 176.8489 40 A 4.2498 8.3353 119.1840 52.4407 19.0342 178.4509 41 K 4.3451 8.2825 120.8167 55.0375 33.8387 177.3018 42 R 3.5051 8.0097 117.8191 58.7284 30.4265 177.4885 43 N 4.8359 7.7593 118.2778 51.4982 37.5061 174.5717 44 N 5.1293 6.6850 116.6085 52.7293 41.6114 173.0464 45 F 5.0417 9.5167 124.7322 55.5957 42.4929 176.5542 46 K 4.3797 8.8569 121.8295 58.2578 32.8013 177.8555 47 S 4.4695 7.7640 112.7090 55.4284 67.2302 174.5829 48 A 3.3292 7.2613 124.6926 54.8938 18.0714 179.8069 49 E 3.7226 7.7624 117.3520 59.4694 29.8961 178.5461 50 D 4.2705 7.9794 118.8459 57.4340 40.9233 177.9733 51 C 2.4500 7.5409 118.3731 59.1550 44.5275 175.7415 52 L 3.8828 7.8983 120.7267 57.7367 40.9115 179.7381 53 R 3.9062 7.8396 117.2461 58.7601 29.9919 178.3335 54 T 4.3030 7.1782 113.9342 64.5774 69.5518 174.8355 55 C 4.4937 8.2760 115.8406 55.6617 42.0336 174.0132 56 G 3.8394 7.3565 109.2364 47.4337 0.0000 174.1485 57 G 3.8607 8.9352 112.2056 45.1155 0.0000 173.0910 58 A 4.0618 7.2464 127.3318 52.3673 18.2449 177.3625 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 4.18 0.00 1.64 1.68 0.00 3.35 0.00 0.00 3.09 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.61 0.00 2 P 0.00 4.01 0.00 0.63 1.54 0.00 3.22 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 1.86 2.02 0.00 3 D 8.38 4.41 0.00 2.69 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 4 F 7.89 4.35 0.00 3.21 3.34 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 5 C 7.56 4.69 0.00 2.97 3.19 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 0.00 6 L 7.79 4.37 0.00 1.74 1.76 0.94 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 7 E 7.58 4.33 0.00 2.16 1.89 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 2.42 2.44 0.00 8 P 0.00 4.39 0.00 2.06 2.00 0.00 3.77 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.93 0.00 9 P 0.00 3.54 0.00 0.71 0.49 0.00 3.23 0.00 0.00 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.58 0.00 10 Y 7.78 4.65 0.00 2.77 2.90 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 11 T 8.31 4.17 4.12 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 1.17 0.00 0.00 12 G 6.86 3.68 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 0.00 0.00 0.00 13 P 0.00 4.35 0.00 2.18 2.19 0.00 3.76 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.02 0.00 14 C 7.87 4.54 0.00 2.87 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 15 T 8.01 4.69 4.18 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 1.16 0.00 0.00 16 A 7.80 4.26 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 4.68 0.00 1.72 1.75 0.00 3.19 0.00 0.00 3.19 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.58 0.00 18 I 8.36 4.40 2.00 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 1.20 0.53 0.96 0.00 0.00 19 I 8.28 4.24 1.81 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.40 0.69 0.00 0.00 20 R 8.36 4.86 0.00 0.82 1.81 0.00 3.43 0.00 0.00 3.21 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.52 0.00 21 Y 9.44 5.61 0.00 3.18 3.03 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 0.00 0.00 0.00 22 F 9.52 5.75 0.00 3.10 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 23 Y 10.08 4.46 0.00 3.11 3.03 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 0.00 0.00 0.00 24 N 8.06 4.78 0.00 2.37 2.44 0.00 0.00 6.71 8.83 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 25 A 8.26 3.95 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.18 4.05 0.00 1.93 1.87 0.00 1.71 0.00 0.00 1.71 0.00 0.00 3.00 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.48 1.39 7.81 27 A 8.00 4.24 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 8.39 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 0.00 0.00 0.00 29 L 7.00 4.94 0.00 1.49 1.47 0.89 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 30 C 8.66 4.98 0.00 2.87 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 31 Q 8.53 4.89 0.00 1.37 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.82 0.00 0.00 0.00 0.00 0.00 2.14 1.91 0.00 32 T 8.38 4.90 4.03 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 0.00 0.00 0.75 0.00 0.00 33 F 8.80 4.99 0.00 3.04 3.19 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 0.00 34 V 8.42 4.35 2.09 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 0.71 0.00 0.00 0.91 0.00 0.00 35 Y 8.83 4.80 0.00 2.49 2.71 0.00 0.00 0.00 0.00 0.00 0.00 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 8.30 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 6.40 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 C 6.81 4.96 0.00 3.05 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 39 R 8.85 3.84 0.00 2.22 2.26 0.00 3.27 0.00 0.00 3.33 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.68 0.00 40 A 8.34 4.25 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 K 8.28 4.35 0.00 1.73 1.68 0.00 1.58 0.00 0.00 1.53 0.00 0.00 2.48 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.14 1.15 7.81 42 R 8.01 3.51 0.00 0.85 0.66 0.00 2.53 0.00 0.00 2.89 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 1.25 0.00 43 N 7.76 4.84 0.00 3.23 2.90 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 6.68 5.13 0.00 2.66 2.56 0.00 0.00 7.08 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 9.52 5.04 0.00 3.29 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 46 K 8.86 4.38 0.00 1.84 1.95 0.00 1.76 0.00 0.00 1.81 0.00 0.00 3.00 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.50 1.48 7.81 47 S 7.76 4.47 0.00 3.84 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 7.26 3.33 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 E 7.76 3.72 0.00 1.94 1.86 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 2.30 2.33 0.00 50 D 7.98 4.27 0.00 2.96 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 C 7.54 2.45 0.00 2.76 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 52 L 7.90 3.88 0.00 1.59 1.61 0.87 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 53 R 7.84 3.91 0.00 1.84 1.93 0.00 3.10 0.00 0.00 3.19 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.73 0.00 54 T 7.18 4.30 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 1.63 0.00 0.00 55 C 8.28 4.49 0.00 2.72 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 0.00 0.00 0.00 0.00 56 G 7.36 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.94 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 58 A 7.25 4.06 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