NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.7038 8.3044 118.3340 55.1365 32.8717 174.1656 2 K 4.3794 8.5811 120.6455 53.6665 34.9325 173.7670 3 R 4.1610 9.0973 126.0832 55.3586 32.0724 174.6485 4 L 4.7874 8.5409 121.9570 54.8159 44.0311 177.8237 5 G 3.9332 6.9487 105.7488 45.4811 0.0000 170.6281 6 K 4.6638 7.9326 122.1675 55.2112 33.1712 177.1588 7 V 3.7941 8.8720 126.3965 62.8784 32.0069 176.4153 8 L 3.8860 8.7102 129.2147 56.1340 42.0705 176.5639 9 H 4.5872 7.3963 110.8033 55.3224 30.3859 171.8586 10 Y 4.9593 8.3030 121.0770 55.6954 39.0235 174.9235 11 A 4.1228 8.6952 131.5542 51.5624 19.0874 178.3896 12 K 4.0182 8.3014 119.5946 59.4121 33.0554 178.6643 13 Q 3.9953 7.7800 118.2658 58.0952 28.9764 175.0923 14 G 3.4831 6.1014 106.0779 46.1922 0.0000 173.8583 15 F 5.7687 7.3789 117.1177 54.5860 43.8731 174.5110 16 L 5.1353 8.8504 123.1935 53.7098 43.3494 175.5384 17 I 4.5513 8.8618 126.5147 60.4345 38.5043 175.2130 18 V 4.5972 8.7317 127.3898 60.9698 34.6303 174.5054 19 R 4.3932 8.0258 126.4247 55.2880 30.6660 174.8269 20 T 5.0248 8.3141 121.2797 59.4829 70.5739 173.7269 21 N 5.0161 9.0071 118.8087 52.0018 39.1475 174.4086 22 W 4.6968 8.0965 114.9488 54.5387 30.5464 175.4554 23 V 3.7673 8.2493 119.1088 60.7417 30.6946 173.7101 24 P 4.1801 0.0000 0.0000 61.4887 32.9625 173.8596 25 S 4.7982 7.8861 112.4239 55.9910 65.5772 172.7443 26 L 4.0618 8.2877 121.7250 56.0629 42.8210 176.2435 27 N 4.2810 8.0643 121.1201 54.3794 36.1168 173.2787 28 D 5.0866 7.3600 118.6595 52.4886 44.4933 177.5798 29 R 4.5547 8.6043 121.0543 56.2444 31.7896 175.4996 30 V 4.9024 8.2432 122.8560 60.3003 34.1834 174.7511 31 V 4.9367 8.3300 119.8803 59.5803 35.9824 175.5553 32 D 4.8957 8.0383 123.4928 53.1455 40.7456 176.7019 33 K 3.7079 8.8394 115.9484 59.2593 33.0846 177.7593 34 R 4.4762 7.5285 116.6592 55.5752 30.2753 175.6681 35 L 3.6677 7.8591 114.8612 56.0887 38.7334 174.2597 36 Q 4.7216 7.2960 116.9330 53.6213 30.8426 175.4701 37 F 4.3525 8.8627 124.5623 58.6170 39.7679 173.1915 38 V 3.8455 7.3702 125.8081 63.3442 33.7901 175.4526 39 G 4.1842 6.1868 104.4201 45.7023 0.0000 170.5732 40 I 5.2031 8.2854 119.3589 58.9004 41.3667 175.8268 41 V 4.0350 8.4658 128.8882 63.1969 31.8539 176.5004 42 K 4.6305 8.6024 123.9526 56.9254 35.4280 176.3671 43 D 4.6883 7.9508 119.1499 52.6991 44.6304 174.0952 44 V 4.6362 8.4842 125.6963 61.2179 34.0649 174.3222 45 F 4.6837 8.0239 121.2728 56.8191 41.4300 173.3244 46 G 4.0292 8.9855 106.1874 44.3168 0.0000 170.8539 47 P 4.5427 0.0000 0.0000 62.1752 32.1170 177.3712 48 V 3.7702 8.2815 118.6024 65.0823 31.6940 178.0460 49 K 4.1133 8.0720 119.0236 58.4883 32.1179 176.9783 50 M 4.9108 7.7055 118.1016 51.6814 31.9991 172.5827 51 P 4.5501 0.0000 0.0000 61.8542 33.7494 175.5388 52 Y 4.3487 8.0776 119.3031 57.5423 39.8031 174.6669 53 V 4.2402 8.4367 121.2086 61.0230 34.9526 173.9294 54 A 5.0927 8.7252 129.9228 50.7164 21.0144 175.5913 55 I 4.6010 8.4510 123.2274 59.2515 40.5539 174.8912 56 K 4.3336 9.0495 128.8288 55.0848 33.0396 173.9897 57 P 4.6120 0.0000 0.0000 61.6349 31.9682 177.1428 58 K 4.6355 8.0513 125.9196 56.5202 32.6864 176.4079 59 V 4.6357 7.4234 110.2442 59.1904 35.5225 176.4659 60 S 4.1892 8.7372 115.4708 60.7127 63.0898 174.0060 61 N 4.7630 7.9279 119.4389 50.6744 38.9349 171.6436 62 P 4.6815 0.0000 0.0000 62.5831 31.7356 176.8191 63 E 4.1973 7.8519 118.5280 57.6275 29.9306 176.9476 64 I 4.1111 7.6438 110.4770 61.7593 38.3795 175.2701 65 Y 4.3722 7.8228 118.3602 58.2869 38.0530 175.3318 66 V 4.0102 7.8739 114.3308 61.6060 32.3555 176.4058 67 G 3.6999 8.2368 115.6670 46.9891 0.0000 171.6361 68 E 4.8326 7.9252 116.5644 54.1628 34.5540 175.9034 69 V 5.2060 8.3273 119.8652 60.7256 33.1423 174.5482 70 L 5.0058 8.4912 127.4040 53.5374 44.5522 175.2763 71 Y 5.1402 9.0896 119.3819 56.2042 42.4389 174.0198 72 V 4.9793 8.7432 119.0352 61.4520 34.5860 174.7433 73 D 4.8059 8.7844 128.2762 54.1156 41.8037 175.7053 74 E 4.2912 8.7465 125.5025 56.3291 29.8924 175.1767 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 M 8.30 4.70 0.00 2.04 2.20 0.00 0.00 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.49 0.00 2 K 8.58 4.38 0.00 1.51 1.34 0.00 1.03 0.00 0.00 0.61 0.00 0.00 2.23 0.00 0.00 2.62 0.00 0.00 0.00 0.00 0.78 1.13 7.81 3 R 9.10 4.16 0.00 1.69 1.64 0.00 3.03 0.00 0.00 3.12 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.50 0.00 4 L 8.54 4.79 0.00 1.90 1.62 1.16 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 0.00 0.00 0.00 0.00 0.00 0.00 5 G 6.95 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 6 K 7.93 4.66 0.00 1.83 1.66 0.00 1.73 0.00 0.00 1.74 0.00 0.00 3.20 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.48 1.49 7.81 7 V 8.87 3.79 2.16 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 1.07 0.00 0.00 1.05 0.00 0.00 8 L 8.71 3.89 0.00 1.61 1.33 1.07 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 9 H 7.40 4.59 0.00 3.30 3.43 0.00 5.44 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 Y 8.30 4.96 0.00 3.08 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 11 A 8.70 4.12 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 12 K 8.30 4.02 0.00 1.86 1.93 0.00 1.56 0.00 0.00 1.68 0.00 0.00 2.95 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.35 1.42 7.81 13 Q 7.78 4.00 0.00 2.14 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.39 0.00 0.00 0.00 0.00 0.00 2.36 2.33 0.00 14 G 6.10 3.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 7.38 5.77 0.00 2.97 2.87 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 16 L 8.85 5.14 0.00 1.72 1.71 0.90 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 17 I 8.86 4.55 1.96 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.78 1.07 0.00 0.00 18 V 8.73 4.60 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 0.98 0.00 0.00 0.99 0.00 0.00 19 R 8.03 4.39 0.00 1.77 1.72 0.00 2.39 0.00 0.00 2.58 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.34 0.00 20 T 8.31 5.02 4.13 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 0.98 0.00 0.00 21 N 9.01 5.02 0.00 2.86 2.89 0.00 0.00 5.87 8.88 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 22 W 8.10 4.70 0.00 3.56 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 23 V 8.25 3.77 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 0.79 0.00 0.00 0.92 0.00 0.00 24 P 0.00 4.18 0.00 1.84 1.26 0.00 3.16 0.00 0.00 3.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.06 0.00 25 S 7.89 4.80 0.00 3.96 3.91 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 26 L 8.29 4.06 0.00 1.63 1.61 0.95 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 27 N 8.06 4.28 0.00 2.99 2.89 0.00 0.00 6.93 7.94 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 28 D 7.36 5.09 0.00 2.63 2.61 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.60 4.55 0.00 1.90 2.06 0.00 3.13 0.00 0.00 3.36 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.76 0.00 30 V 8.24 4.90 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 1.16 0.00 0.00 0.91 0.00 0.00 31 V 8.33 4.94 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 0.90 0.00 0.00 1.02 0.00 0.00 32 D 8.04 4.90 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 33 K 8.84 3.71 0.00 1.87 2.15 0.00 1.57 0.00 0.00 1.75 0.00 0.00 3.13 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.48 1.48 7.81 34 R 7.53 4.48 0.00 1.89 1.95 0.00 3.32 0.00 0.00 3.22 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.56 0.00 35 L 7.86 3.67 0.00 1.78 1.76 0.89 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 36 Q 7.30 4.72 0.00 2.45 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.96 6.99 0.00 0.00 0.00 0.00 0.00 2.33 2.30 0.00 37 F 8.86 4.35 0.00 2.96 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 38 V 7.37 3.85 1.84 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 0.30 0.00 0.00 0.69 0.00 0.00 39 G 6.19 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 0.00 0.00 0.00 0.00 40 I 8.29 5.20 2.04 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 1.96 1.04 0.00 0.00 41 V 8.47 4.04 2.18 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 0.90 0.00 0.00 0.90 0.00 0.00 42 K 8.60 4.63 0.00 2.06 2.01 0.00 1.85 0.00 0.00 1.71 0.00 0.00 2.91 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.47 1.64 7.81 43 D 7.95 4.69 0.00 2.50 2.33 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 44 V 8.48 4.64 2.01 0.00 0.00 0.00 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 0.80 0.00 0.00 45 F 8.02 4.68 0.00 3.00 3.05 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.99 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 0.00 0.00 0.00 0.00 47 P 0.00 4.54 0.00 2.05 2.05 0.00 3.93 0.00 0.00 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.16 0.00 48 V 8.28 3.77 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 0.93 0.00 0.00 49 K 8.07 4.11 0.00 1.75 1.89 0.00 1.70 0.00 0.00 1.63 0.00 0.00 2.92 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.44 1.36 7.81 50 M 7.71 4.91 0.00 1.81 1.83 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.23 0.00 51 P 0.00 4.55 0.00 1.99 2.19 0.00 3.82 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.87 0.00 52 Y 8.08 4.35 0.00 2.02 2.51 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 53 V 8.44 4.24 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 0.90 0.00 0.00 0.65 0.00 0.00 54 A 8.73 5.09 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 55 I 8.45 4.60 1.94 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 1.17 0.94 0.00 0.00 56 K 9.05 4.33 0.00 1.91 1.94 0.00 1.32 0.00 0.00 1.51 0.00 0.00 2.91 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.42 1.45 7.81 57 P 0.00 4.61 0.00 1.96 1.94 0.00 3.66 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.26 0.00 58 K 8.05 4.64 0.00 2.00 2.02 0.00 1.86 0.00 0.00 1.87 0.00 0.00 3.04 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.46 1.46 7.81 59 V 7.42 4.64 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 0.90 0.00 0.00 60 S 8.74 4.19 0.00 3.98 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 N 7.93 4.76 0.00 2.71 2.79 0.00 0.00 6.86 8.02 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 62 P 0.00 4.68 0.00 1.58 1.96 0.00 3.53 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 1.39 1.80 0.00 63 E 7.85 4.20 0.00 1.89 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.22 0.00 64 I 7.64 4.11 1.75 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.51 0.87 0.00 0.00 65 Y 7.82 4.37 0.00 2.97 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 66 V 7.87 4.01 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 0.78 0.00 0.00 0.99 0.00 0.00 67 G 8.24 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 E 7.93 4.83 0.00 2.04 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.06 0.00 69 V 8.33 5.21 2.16 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 1.01 0.00 0.00 0.94 0.00 0.00 70 L 8.49 5.01 0.00 1.63 1.56 0.87 0.76 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 71 Y 9.09 5.14 0.00 3.03 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 72 V 8.74 4.98 2.50 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 1.24 0.00 0.00 1.11 0.00 0.00 73 D 8.78 4.81 0.00 2.84 2.66 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 0.00 0.00 0.00 0.00 74 E 8.75 4.29 0.00 1.93 1.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.33 0.00