NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 10 I 4.0814 7.8833 114.2551 60.8722 38.4763 176.3737 11 V 3.5314 8.1767 111.3295 62.5042 31.5635 176.1956 12 G 3.6653 7.5280 105.6314 47.2723 0.0000 175.3447 13 K 4.1057 7.6618 119.3159 59.2924 32.9989 177.6603 14 Y 4.8607 8.0413 117.3562 58.7029 38.2854 176.4260 15 G 3.8742 8.1457 109.2795 47.3680 0.0000 174.4238 16 T 4.4787 8.5839 114.5408 61.6876 69.1498 175.0597 17 R 4.4078 7.7463 120.4057 56.7426 31.8008 176.0143 18 Y 3.7583 8.1578 117.0299 57.1582 36.5694 170.8258 19 G 3.9784 8.0473 103.2781 45.0584 0.0000 173.3630 20 A 4.0617 8.1807 119.5112 55.1915 18.2201 179.8654 21 S 4.0436 7.9944 111.5479 61.5548 62.9738 176.5366 22 L 3.9190 8.0181 122.4176 58.4101 41.8715 178.9482 23 R 4.1983 7.8010 114.9420 58.3205 29.7994 178.6877 24 K 4.0493 8.5791 120.5709 59.3320 31.9336 179.1044 25 Q 4.0588 8.2575 118.0101 59.0642 28.6109 178.5327 26 I 3.6961 7.4554 121.9702 63.9413 37.0348 178.3090 27 K 3.9107 8.0331 120.4339 59.1782 31.9979 178.7257 28 K 3.8979 8.0686 119.8596 59.8525 32.0754 178.5290 29 M 3.9022 8.2127 119.0896 58.5541 31.8362 178.5862 30 E 4.0463 8.4293 119.5335 58.8089 29.4996 179.2512 31 V 3.6607 8.0097 119.3271 64.8829 31.7855 178.2570 32 S 4.3239 7.9952 115.9777 61.1720 62.5311 176.0896 33 Q 4.8835 8.2474 122.5198 59.1300 28.9051 177.9862 34 H 4.7946 8.3484 115.2340 55.8213 30.3522 175.2162 35 S 4.1753 7.3581 115.9553 58.7147 63.2727 174.1345 36 K 4.1311 8.1216 121.9549 56.7453 32.6712 176.2527 37 Y 4.9983 8.5309 120.5339 55.9575 41.5409 174.7221 38 F 4.5360 8.7284 118.9283 55.9024 38.6519 176.1310 39 C 4.2192 8.9378 122.5839 57.3932 40.1005 174.5543 40 E 3.9820 8.8678 122.6191 59.3917 28.8025 177.7555 41 F 4.2534 7.5373 120.3743 60.6094 40.3183 178.1944 42 C 4.3544 7.9107 123.6564 59.1636 30.2756 174.0329 43 G 4.0293 8.3631 110.3722 45.6963 0.0000 173.1784 44 K 4.0726 7.7184 119.7108 55.7268 33.3013 177.1225 45 F 4.7224 8.4460 123.1848 56.1496 36.8650 175.3107 46 A 4.9028 7.5707 118.3783 51.6509 20.5941 176.5590 47 V 4.7279 8.0205 119.9573 63.0934 32.7600 175.1208 48 K 5.0208 9.3582 128.9500 54.2858 35.8873 175.2672 49 R 3.4097 8.7651 125.8258 56.1129 30.4406 176.3883 50 K 4.2160 8.2698 123.9226 56.3276 33.7272 176.5540 51 A 4.2108 6.9025 119.7741 51.1348 21.1857 175.8830 52 V 3.6844 8.3408 114.7032 63.1849 32.0902 177.2263 53 G 4.5514 8.5916 112.9003 46.1085 0.0000 172.4664 54 I 4.7459 7.0058 121.3439 59.4398 39.0142 174.9241 55 W 5.2200 9.2046 126.7908 54.9254 33.1084 174.8025 56 G 4.5104 9.2081 108.8961 45.0663 0.0000 170.7037 57 C 5.6052 8.9287 120.8628 55.0476 41.4956 175.2015 58 K 3.8707 9.0261 123.9492 58.7942 32.6500 178.2346 59 D 4.4890 8.0799 119.3970 55.9714 39.8221 176.9834 60 C 4.5001 8.1947 115.8684 58.3496 29.4794 175.0522 61 G 3.9137 8.5655 109.0459 44.1331 0.0000 173.6747 62 K 3.7796 7.8957 119.5223 57.7325 33.2444 175.8784 63 V 4.8073 8.3983 124.9512 60.0094 32.7592 175.2599 64 K 4.7907 9.5439 125.1862 54.2793 35.8720 174.8587 65 A 4.9002 8.5362 123.6348 51.2029 20.0791 177.1074 66 G 3.9419 8.2773 109.8541 45.3207 0.0000 171.8324 67 G 3.9566 8.4127 110.7210 44.5716 0.0000 174.3113 68 A 4.2641 8.5650 121.1441 54.4864 18.7689 178.5158 69 Y 5.2021 7.7159 110.5061 56.6127 39.3139 174.8316 70 T 4.4059 7.3223 110.0332 60.0751 71.7818 174.5635 71 M 2.5500 6.7423 123.3309 56.7270 32.4507 175.6059 72 N 4.8511 7.3354 114.9139 50.4862 39.9453 174.1357 73 T 4.4834 7.9367 111.1964 59.7167 72.5732 175.3313 74 A 4.0092 8.4594 123.2206 55.2844 18.2906 179.7202 75 S 4.3039 7.9801 112.9397 61.1694 63.0142 176.3773 76 A 4.0077 7.9972 123.4057 54.7586 18.0523 179.8456 77 V 3.6311 7.6033 117.2916 66.3466 31.4902 178.3734 78 T 4.0082 7.6138 115.2396 66.3310 67.9377 176.9689 79 V 3.6438 7.0509 113.7898 64.5762 31.7117 178.0568 80 R 4.1036 7.2716 114.7601 60.1016 30.0796 177.8707 81 S 4.1121 8.4338 113.5078 59.4960 63.2916 174.3270 82 T 4.0770 7.2303 118.4400 62.3810 68.1189 174.0339 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 10 I 7.88 4.08 1.84 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 1.46 0.73 0.89 0.00 0.00 11 V 8.18 3.53 2.17 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 0.81 0.00 0.00 0.97 0.00 0.00 12 G 7.53 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.66 4.11 0.00 1.79 1.78 0.00 1.08 0.00 0.00 1.51 0.00 0.00 2.89 0.00 0.00 2.83 0.00 0.00 0.00 0.00 0.87 0.62 7.81 14 Y 8.04 4.86 0.00 3.28 3.06 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 0.00 0.00 0.00 15 G 8.15 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 0.00 0.00 0.00 16 T 8.58 4.48 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 17 R 7.75 4.41 0.00 2.15 1.53 0.00 3.24 0.00 0.00 3.25 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.51 0.00 18 Y 8.16 3.76 0.00 3.03 3.09 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 19 G 8.05 3.98 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 0.00 0.00 0.00 20 A 8.18 4.06 1.33 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 0.00 0.00 21 S 7.99 4.04 0.00 3.89 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 22 L 8.02 3.92 0.00 1.69 1.71 0.59 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 23 R 7.80 4.20 0.00 2.22 2.33 0.00 2.97 0.00 0.00 3.48 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.73 0.00 24 K 8.58 4.05 0.00 1.75 1.91 0.00 1.69 0.00 0.00 1.72 0.00 0.00 2.99 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.74 1.61 7.81 25 Q 8.26 4.06 0.00 2.25 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.81 0.00 0.00 0.00 0.00 0.00 2.61 2.34 0.00 26 I 7.46 3.70 1.98 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 1.76 0.91 1.01 0.00 0.00 27 K 8.03 3.91 0.00 1.95 1.96 0.00 1.63 0.00 0.00 1.57 0.00 0.00 2.89 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.44 1.43 7.81 28 K 8.07 3.90 0.00 1.98 1.90 0.00 1.72 0.00 0.00 1.68 0.00 0.00 2.98 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.46 1.65 7.81 29 M 8.21 3.90 0.00 1.63 1.98 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 1.96 0.00 30 E 8.43 4.05 0.00 2.07 1.99 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 2.36 2.46 0.00 31 V 8.01 3.66 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 0.94 0.00 0.00 0.96 0.00 0.00 32 S 8.00 4.32 0.00 4.27 4.17 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 33 Q 8.25 4.88 0.00 2.49 2.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.90 0.00 0.00 0.00 0.00 0.00 2.83 2.59 0.00 34 H 8.35 4.79 0.00 3.35 3.45 0.00 6.01 0.00 0.00 0.00 0.00 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 S 7.36 4.18 0.00 3.37 3.44 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 36 K 8.12 4.13 0.00 1.63 1.82 0.00 1.70 0.00 0.00 1.92 0.00 0.00 2.92 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.36 1.33 7.81 37 Y 8.53 5.00 0.00 3.04 2.53 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.73 4.54 0.00 2.48 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 0.00 0.00 0.00 0.00 39 C 8.94 4.22 0.00 2.91 3.13 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 40 E 8.87 3.98 0.00 1.98 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 2.18 2.16 0.00 41 F 7.54 4.25 0.00 2.93 2.96 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 0.00 0.00 0.00 42 C 7.91 4.35 0.00 3.08 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 43 G 8.36 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 44 K 7.72 4.07 0.00 1.76 1.79 0.00 1.69 0.00 0.00 2.02 0.00 0.00 2.90 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.57 1.48 7.81 45 F 8.45 4.72 0.00 2.96 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 46 A 7.57 4.90 1.35 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 0.00 0.00 0.00 47 V 8.02 4.73 2.31 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 0.86 0.00 0.00 0.98 0.00 0.00 48 K 9.36 5.02 0.00 1.94 1.66 0.00 1.68 0.00 0.00 1.69 0.00 0.00 3.15 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.38 1.45 7.81 49 R 8.77 3.41 0.00 0.88 1.51 0.00 3.00 0.00 0.00 2.84 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.50 0.00 50 K 8.27 4.22 0.00 1.58 1.73 0.00 1.82 0.00 0.00 1.67 0.00 0.00 2.96 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.48 1.45 7.81 51 A 6.90 4.21 1.11 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 0.00 0.00 0.00 0.00 0.00 0.00 52 V 8.34 3.68 2.15 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 0.68 0.00 0.00 0.89 0.00 0.00 53 G 8.59 4.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.01 4.75 1.67 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 1.12 1.13 0.83 0.00 0.00 55 W 9.20 5.22 0.00 3.15 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 56 G 9.21 4.51 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 0.00 0.00 0.00 57 C 8.93 5.61 0.00 2.94 3.39 0.00 0.00 0.00 0.00 0.00 0.00 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 K 9.03 3.87 0.00 1.90 1.98 0.00 1.65 0.00 0.00 1.80 0.00 0.00 3.12 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.69 1.42 7.81 59 D 8.08 4.49 0.00 2.86 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 60 C 8.19 4.50 0.00 3.03 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 61 G 8.57 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 0.00 0.00 0.00 62 K 7.90 3.78 0.00 1.76 1.85 0.00 1.48 0.00 0.00 1.91 0.00 0.00 3.04 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.52 1.47 7.81 63 V 8.40 4.81 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 0.73 0.00 0.00 0.92 0.00 0.00 64 K 9.54 4.79 0.00 1.76 1.74 0.00 1.56 0.00 0.00 1.67 0.00 0.00 2.95 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.34 1.41 7.81 65 A 8.54 4.90 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 66 G 8.28 3.94 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 0.00 0.00 0.00 67 G 8.41 3.96 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 0.00 0.00 0.00 0.00 0.00 0.00 68 A 8.57 4.26 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 69 Y 7.72 5.20 0.00 3.29 3.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 T 7.32 4.41 3.94 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 0.94 0.00 0.00 71 M 6.74 2.55 0.00 1.07 0.57 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.99 0.00 72 N 7.34 4.85 0.00 2.70 2.53 0.00 0.00 5.89 7.71 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 73 T 7.94 4.48 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 1.09 0.00 0.00 74 A 8.46 4.01 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 S 7.98 4.30 0.00 3.87 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 76 A 8.00 4.01 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 77 V 7.60 3.63 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 1.03 0.00 0.00 0.96 0.00 0.00 78 T 7.61 4.01 4.37 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 1.21 0.00 0.00 79 V 7.05 3.64 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 0.80 0.00 0.00 0.94 0.00 0.00 80 R 7.27 4.10 0.00 1.98 2.02 0.00 3.18 0.00 0.00 3.23 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.70 0.00 81 S 8.43 4.11 0.00 4.02 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 82 T 7.23 4.08 4.24 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 1.21 0.00 0.00