NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.2104 8.1233 122.4538 51.8616 19.8429 176.1127 2 D 4.5967 8.3782 120.1997 53.0459 39.9933 176.2155 3 C 4.5531 9.0485 123.9171 59.4750 38.5546 173.9328 4 A 4.3837 6.9035 116.6262 51.1341 22.7995 175.6450 5 K 4.8486 10.0112 123.3943 53.7249 35.6735 176.9584 6 G 3.7091 7.2746 111.0023 45.4852 0.0000 171.9653 7 K 4.9489 7.7993 119.4430 54.0241 34.1078 175.8824 8 I 4.2256 8.0157 121.5695 60.9450 37.6633 175.8124 9 E 4.3452 9.3963 128.3401 58.8033 30.2441 176.1950 10 F 5.1831 7.3327 112.0628 56.0205 41.1854 172.9947 11 S 5.2545 8.8184 113.1997 56.6951 66.5870 173.4403 12 K 4.3381 8.4421 122.1205 54.8961 35.2391 174.5203 13 Y 4.3646 8.6754 129.7862 57.7593 39.4213 174.5770 14 N 4.8268 8.6723 124.5849 51.4368 40.7659 175.6800 15 E 3.9893 8.9815 122.1020 59.4728 29.5960 177.5564 16 D 4.6016 7.8981 114.8629 52.9757 39.6708 176.4057 17 D 3.9885 8.3310 118.4031 55.0370 39.0774 173.8727 18 T 4.6348 7.9474 111.4616 60.9016 71.7006 173.4053 19 F 5.0834 9.0945 123.1728 57.3127 42.7757 172.9894 20 T 5.3128 8.7074 123.7351 62.2627 70.7017 174.2926 21 V 4.8893 9.1034 118.9240 59.4263 35.4991 174.3478 22 K 4.7431 8.6496 125.1455 54.6165 34.3429 175.2453 23 V 4.5160 8.2474 126.7643 61.8401 35.0644 174.4597 24 D 4.4108 9.7931 128.3050 55.4102 39.4994 174.0237 25 G 3.9238 8.2584 102.8133 45.4119 0.0000 173.3554 26 K 4.4968 7.9823 118.8712 54.3016 35.9299 175.1071 27 E 4.7926 8.3752 123.6755 55.4650 31.5861 174.8714 28 Y 5.4488 8.6854 119.9229 56.2519 43.0683 174.0574 29 W 5.7752 8.8407 118.5941 55.2095 32.1560 173.9810 30 T 4.8180 9.2981 114.6049 60.4593 70.4531 174.2286 31 S 4.8446 8.7874 118.3159 57.9916 64.3797 174.5246 32 R 4.1688 7.7177 121.1365 55.4417 29.0661 176.8367 33 W 4.5419 8.9865 125.0412 59.8356 29.2306 178.3006 34 N 4.6827 8.1704 113.2712 54.4528 37.4694 176.6491 35 L 4.2147 8.0635 120.0206 57.5894 41.5511 178.6727 36 Q 3.0420 7.7387 118.2648 58.4771 28.7388 177.4361 37 P 4.3660 0.0000 0.0000 65.1680 31.4588 178.3498 38 L 3.9356 7.7531 119.2126 57.7419 41.6951 178.9943 39 L 4.3932 8.2690 119.1691 57.7014 41.6523 179.2442 40 L 4.1647 8.1265 120.4427 58.1694 42.0397 179.2226 41 S 4.1212 8.0578 114.4328 61.6853 62.8668 176.2798 42 A 4.1121 8.1317 123.3976 55.4624 17.9589 179.5635 43 Q 3.9751 8.1611 117.7733 59.4715 29.0107 178.4204 44 L 4.1068 8.0119 118.9972 57.2627 41.7516 178.5990 45 T 4.4603 7.9854 106.9648 60.6481 69.3526 174.9845 46 G 3.9020 7.7729 109.2596 46.8145 0.0000 174.0587 47 M 4.3347 7.9491 118.7006 55.6224 33.6416 176.1212 48 T 4.5862 8.9173 118.8296 62.9614 69.7092 174.6620 49 V 4.6335 8.6054 120.7262 60.2185 34.4845 175.4192 50 T 4.8880 8.3709 119.6267 61.8910 71.4012 173.2823 51 I 4.0627 8.5463 128.1666 59.9813 38.9477 175.0191 52 K 4.9158 7.9313 125.3138 54.7037 34.5291 175.5712 53 S 4.6740 8.6753 118.5612 57.2994 65.3935 174.8863 54 S 4.3526 8.8327 118.7830 59.6535 63.4064 174.1778 55 T 4.6353 7.4911 111.0971 60.3050 70.8973 173.0430 56 C 4.9530 8.7021 120.3107 56.4263 38.6943 173.9330 57 E 4.1232 8.1170 120.9380 56.1650 29.5660 176.3819 58 S 3.8037 8.5234 118.1234 60.0710 62.7178 174.1185 59 G 3.9650 9.0957 116.1766 45.5911 0.0000 173.1241 60 S 4.8154 7.8194 115.5613 56.9953 65.6751 173.2666 61 G 2.8379 8.0114 107.0538 44.6560 0.0000 172.8305 62 F 5.0286 7.8076 114.3300 55.1022 41.2560 174.5608 63 A 4.3251 8.4411 118.5406 51.7618 20.9545 175.0770 64 E 4.9349 8.1315 119.1198 55.1410 32.4717 175.4342 65 V 4.6341 8.1654 124.6607 60.8898 34.1983 172.5697 66 Q 4.4907 8.5703 127.4223 54.6413 30.8840 173.9790 67 F 5.1035 8.9267 124.4928 55.8658 41.1591 174.4914 68 N 5.1941 9.2282 121.4180 51.2555 42.1166 173.6568 69 N 4.8909 8.7806 119.9380 53.2659 39.6568 175.0699 70 D 4.2111 8.4517 122.0446 55.0066 41.9348 175.2257 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 A 8.12 4.21 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 2 D 8.38 4.60 0.00 2.63 2.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 C 9.05 4.55 0.00 2.21 2.84 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 4 A 6.90 4.38 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 5 K 10.01 4.85 0.00 1.60 1.59 0.00 1.82 0.00 0.00 1.68 0.00 0.00 2.81 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.26 1.33 7.81 6 G 7.27 3.71 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 0.00 0.00 0.00 7 K 7.80 4.95 0.00 1.75 1.76 0.00 1.80 0.00 0.00 2.38 0.00 0.00 3.14 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.68 1.40 7.81 8 I 8.02 4.23 1.94 0.00 0.00 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 1.33 0.50 1.06 0.00 0.00 9 E 9.40 4.35 0.00 1.87 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 0.00 2.32 2.28 0.00 10 F 7.33 5.18 0.00 3.05 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 11 S 8.82 5.25 0.00 3.76 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 12 K 8.44 4.34 0.00 1.79 1.60 0.00 1.53 0.00 0.00 1.47 0.00 0.00 2.79 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.46 1.31 7.81 13 Y 8.68 4.36 0.00 3.22 2.89 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 14 N 8.67 4.83 0.00 2.71 2.59 0.00 0.00 6.17 7.67 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 15 E 8.98 3.99 0.00 1.90 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 2.30 2.35 0.00 16 D 7.90 4.60 0.00 2.73 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 17 D 8.33 3.99 0.00 2.98 2.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 T 7.95 4.63 4.61 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 1.24 0.00 0.00 19 F 9.09 5.08 0.00 3.17 3.04 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 20 T 8.71 5.31 4.27 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 1.37 0.00 0.00 21 V 9.10 4.89 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 0.95 0.00 0.00 1.06 0.00 0.00 22 K 8.65 4.74 0.00 0.79 0.74 0.00 0.97 0.00 0.00 1.47 0.00 0.00 2.69 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.03 0.97 7.81 23 V 8.25 4.52 2.07 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 0.79 0.00 0.00 0.86 0.00 0.00 24 D 9.79 4.41 0.00 2.87 2.63 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.26 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.98 4.50 0.00 1.70 1.31 0.00 1.72 0.00 0.00 1.66 0.00 0.00 2.89 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.26 1.35 7.81 27 E 8.38 4.79 0.00 1.80 1.79 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 0.00 2.09 2.14 0.00 28 Y 8.69 5.45 0.00 2.79 2.86 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 29 W 8.84 5.78 0.00 3.49 3.22 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 30 T 9.30 4.82 3.04 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 1.38 0.00 0.00 31 S 8.79 4.84 0.00 4.15 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 R 7.72 4.17 0.00 1.89 2.13 0.00 3.27 0.00 0.00 3.13 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.69 0.00 33 W 8.99 4.54 0.00 3.41 3.29 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.17 4.68 0.00 2.87 3.01 0.00 0.00 6.05 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 35 L 8.06 4.21 0.00 2.05 1.82 0.94 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 36 Q 7.74 3.04 0.00 1.99 1.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.81 0.00 0.00 0.00 0.00 0.00 1.48 2.28 0.00 37 P 0.00 4.37 0.00 2.23 2.28 0.00 3.77 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 2.05 2.04 0.00 38 L 7.75 3.94 0.00 1.99 1.51 0.89 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 39 L 8.27 4.39 0.00 1.85 2.05 1.29 0.57 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 40 L 8.13 4.16 0.00 1.95 1.73 1.10 1.06 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 41 S 8.06 4.12 0.00 4.06 3.89 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 42 A 8.13 4.11 1.67 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 43 Q 8.16 3.98 0.00 2.41 2.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.74 0.00 0.00 0.00 0.00 0.00 2.44 2.64 0.00 44 L 8.01 4.11 0.00 1.92 1.76 0.96 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 45 T 7.99 4.46 4.27 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 1.25 0.00 0.00 46 G 7.77 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 0.00 0.00 0.00 47 M 7.95 4.33 0.00 2.23 2.14 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.69 2.60 0.00 48 T 8.92 4.59 4.25 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 49 V 8.61 4.63 1.75 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 0.66 0.00 0.00 0.80 0.00 0.00 50 T 8.37 4.89 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 1.10 0.00 0.00 51 I 8.55 4.06 1.23 0.00 0.00 0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.81 -0.24 0.00 0.00 52 K 7.93 4.92 0.00 1.68 1.60 0.00 1.67 0.00 0.00 1.58 0.00 0.00 2.81 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.40 1.20 7.81 53 S 8.68 4.67 0.00 3.70 3.61 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 54 S 8.83 4.35 0.00 4.00 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 55 T 7.49 4.64 4.27 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 1.22 0.00 0.00 56 C 8.70 4.95 0.00 2.97 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 57 E 8.12 4.12 0.00 2.05 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.29 0.00 58 S 8.52 3.80 0.00 3.72 3.71 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 59 G 9.10 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 60 S 7.82 4.82 0.00 3.93 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 0.00 61 G 8.01 2.84 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 62 F 7.81 5.03 0.00 3.03 2.70 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 63 A 8.44 4.33 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 64 E 8.13 4.93 0.00 2.04 1.77 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 2.25 2.28 0.00 65 V 8.17 4.63 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 0.61 0.00 0.00 0.38 0.00 0.00 66 Q 8.57 4.49 0.00 2.12 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.51 6.79 0.00 0.00 0.00 0.00 0.00 2.32 2.35 0.00 67 F 8.93 5.10 0.00 2.90 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 68 N 9.23 5.19 0.00 2.87 2.69 0.00 0.00 6.59 6.57 0.00 0.00 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 N 8.78 4.89 0.00 2.63 2.77 0.00 0.00 6.79 8.06 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 70 D 8.45 4.21 0.00 2.64 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