NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 D 4.6346 8.2076 120.5185 54.6558 43.2813 177.3809 2 Y 3.8928 8.3805 117.5506 59.8366 37.5828 176.9083 3 L 3.6247 6.9871 121.5134 57.4446 41.7709 180.6144 4 R 3.8425 7.6329 117.4473 59.3410 29.9069 178.6899 5 E 4.0858 8.7888 118.7328 58.8432 29.5099 178.9713 6 L 4.0802 7.9993 119.0071 56.9975 41.4379 178.7365 7 L 4.1083 8.2597 120.3610 56.9454 41.9850 178.1442 8 K 4.3113 7.5273 116.9537 57.4891 33.1448 178.5805 9 L 3.9912 8.1076 119.8204 57.6764 41.4690 179.0271 10 E 3.9882 8.1685 118.5203 59.5607 29.3587 179.1317 11 L 3.9383 7.5231 118.5811 58.3561 41.8335 179.7373 12 Q 3.9986 8.5702 118.9761 58.8858 28.9292 178.0078 13 A 4.0409 8.1344 122.2380 55.0463 18.4417 179.6108 14 I 3.7458 8.0283 118.7253 64.5627 37.2081 178.6447 15 K 4.0541 7.8517 120.0802 59.2254 31.9606 178.8386 16 Q 4.0338 7.9455 118.0578 58.7508 28.7066 177.8188 17 Y 4.1564 8.1618 117.6276 60.6183 37.6088 178.2688 18 R 3.9635 7.9623 118.7710 59.3071 30.4719 178.2952 19 E 4.1280 8.2614 117.8646 59.6650 29.4875 179.5836 20 A 4.1262 8.2175 120.6488 54.9163 18.3451 179.1578 21 L 3.8994 8.3227 119.2988 58.6089 41.8930 179.0083 22 E 3.9486 8.4314 118.0522 58.5147 29.5895 177.0406 23 Y 4.7147 7.8864 116.7875 57.4430 40.5838 175.8790 24 V 3.9645 7.9079 110.4767 59.7002 33.5263 175.7723 25 K 3.7543 8.0944 118.1461 56.8884 30.4505 174.9836 26 L 4.1758 7.7635 119.1746 54.5396 41.9079 176.7058 27 P 4.1603 0.0000 0.0000 65.4479 31.9902 178.7220 28 V 3.5847 8.0386 118.0593 65.1028 30.9060 178.0658 29 L 3.9728 8.1299 119.1113 57.1739 41.1316 179.2430 30 A 3.9289 8.2231 120.5728 55.1878 18.6812 179.3328 31 K 3.9589 7.8991 117.3361 59.4933 32.2212 179.0085 32 I 3.4812 7.5273 119.8553 64.0425 36.9254 177.8024 33 L 3.6300 7.7274 121.9318 58.3917 41.7244 178.9697 34 E 4.0858 7.8943 116.6461 58.9726 29.6820 178.4956 35 D 4.1437 8.0791 119.9238 56.2676 40.8064 177.4188 36 E 4.0705 7.8662 118.0697 57.0141 29.9539 178.0002 37 E 3.9330 7.6598 119.0275 58.7088 29.6719 178.5814 38 K 3.4236 7.3805 119.3607 59.7262 32.1922 178.3552 39 H 3.8770 7.5000 116.3609 59.0194 28.5246 177.3012 40 I 3.6795 7.3859 120.8249 64.9358 36.9403 178.1635 41 E 3.9062 8.0015 118.7795 59.1326 29.3232 179.5082 42 W 4.4876 8.3138 119.3525 59.9389 29.1793 178.3221 43 L 4.0643 8.7301 119.1015 58.0854 40.8808 179.5759 44 E 3.9721 8.6300 117.4884 59.6289 29.4631 179.2179 45 T 4.0514 7.9361 114.7464 66.9174 68.6672 176.4301 46 I 3.8592 7.5738 120.0990 65.8850 37.5597 177.4050 47 L 4.4779 8.5228 120.5713 53.7822 44.7533 177.2448 48 G 4.1611 8.7987 109.3819 47.1463 0.0000 173.1652 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 D 8.21 4.63 0.00 2.86 2.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2 Y 8.38 3.89 0.00 3.41 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 3 L 6.99 3.62 0.00 1.25 1.49 0.74 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 4 R 7.63 3.84 0.00 1.87 1.95 0.00 3.10 0.00 0.00 3.31 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.67 0.00 5 E 8.79 4.09 0.00 1.98 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 2.65 2.53 0.00 6 L 8.00 4.08 0.00 1.72 1.74 1.01 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 7 L 8.26 4.11 0.00 1.84 1.82 0.92 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 8 K 7.53 4.31 0.00 1.84 1.81 0.00 1.72 0.00 0.00 1.64 0.00 0.00 2.96 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.37 1.60 7.81 9 L 8.11 3.99 0.00 1.80 1.74 0.95 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 10 E 8.17 3.99 0.00 2.13 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 2.47 2.56 0.00 11 L 7.52 3.94 0.00 1.82 1.76 0.92 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 12 Q 8.57 4.00 0.00 2.13 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.81 0.00 0.00 0.00 0.00 0.00 2.40 2.36 0.00 13 A 8.13 4.04 1.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.03 3.75 2.12 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.08 0.92 0.00 0.00 15 K 7.85 4.05 0.00 1.79 1.80 0.00 1.61 0.00 0.00 1.63 0.00 0.00 2.94 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.42 1.52 7.81 16 Q 7.95 4.03 0.00 1.96 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.58 0.00 0.00 0.00 0.00 0.00 2.31 2.50 0.00 17 Y 8.16 4.16 0.00 3.19 2.92 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 18 R 7.96 3.96 0.00 2.04 2.02 0.00 3.19 0.00 0.00 3.23 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.84 0.00 19 E 8.26 4.13 0.00 2.03 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 2.34 2.61 0.00 20 A 8.22 4.13 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 21 L 8.32 3.90 0.00 2.03 1.80 0.93 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 22 E 8.43 3.95 0.00 2.22 2.12 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 2.36 2.35 0.00 23 Y 7.89 4.71 0.00 2.93 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 24 V 7.91 3.96 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 0.04 0.00 0.00 1.05 0.00 0.00 25 K 8.09 3.75 0.00 1.76 1.81 0.00 1.40 0.00 0.00 1.61 0.00 0.00 2.97 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.36 1.52 7.81 26 L 7.76 4.18 0.00 1.72 1.61 0.91 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 27 P 0.00 4.16 0.00 2.16 2.07 0.00 3.56 0.00 0.00 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.11 0.00 28 V 8.04 3.58 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 0.83 0.00 0.00 0.91 0.00 0.00 29 L 8.13 3.97 0.00 1.79 1.94 1.03 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 30 A 8.22 3.93 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 31 K 7.90 3.96 0.00 1.75 1.76 0.00 1.68 0.00 0.00 1.74 0.00 0.00 3.11 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.46 1.44 7.81 32 I 7.53 3.48 1.29 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.31 0.33 0.00 0.00 33 L 7.73 3.63 0.00 1.64 1.84 0.88 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 34 E 7.89 4.09 0.00 2.17 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 0.00 2.18 2.21 0.00 35 D 8.08 4.14 0.00 2.70 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 36 E 7.87 4.07 0.00 1.90 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 0.00 2.29 2.37 0.00 37 E 7.66 3.93 0.00 2.02 1.88 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 2.33 2.48 0.00 38 K 7.38 3.42 0.00 1.33 1.23 0.00 1.73 0.00 0.00 1.40 0.00 0.00 2.21 0.00 0.00 3.23 0.00 0.00 0.00 0.00 0.30 0.25 7.81 39 H 7.50 3.88 0.00 3.13 3.33 0.00 5.72 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 I 7.39 3.68 2.08 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.10 0.88 0.00 0.00 41 E 8.00 3.91 0.00 2.00 2.04 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 2.30 2.46 0.00 42 W 8.31 4.49 0.00 3.54 3.14 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 0.00 0.00 0.00 0.00 43 L 8.73 4.06 0.00 1.86 1.75 0.98 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 44 E 8.63 3.97 0.00 2.05 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 2.35 2.52 0.00 45 T 7.94 4.05 4.30 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 1.24 0.00 0.00 46 I 7.57 3.86 1.98 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.71 0.91 0.00 0.00 47 L 8.52 4.48 0.00 1.70 1.61 0.88 0.88 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 48 G 8.80 4.16 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 0.00 0.00 0.00