NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 G 3.8462 8.3549 109.7366 46.1369 0.0000 173.4859 4 I 3.4534 8.5173 130.2530 60.4926 36.2601 172.9220 5 R 4.6039 8.3723 119.4002 54.4066 32.7280 175.2876 6 E 4.4748 8.1628 120.3607 55.6623 31.4904 175.5540 7 K 4.6917 8.4807 121.3865 55.9113 33.3552 176.4685 8 I 4.6680 8.6262 125.4103 59.5420 40.6305 175.2852 9 K 5.3759 8.2202 122.3896 54.5599 34.7604 175.8247 10 L 4.8287 8.7103 126.4771 54.0323 42.7978 176.8847 11 V 4.3080 8.5822 124.9679 62.2990 33.0333 175.1866 12 S 2.9731 7.9150 121.7433 57.8404 62.2678 174.4727 13 S 4.0624 8.2111 120.6129 59.5085 63.7654 173.8150 14 A 4.4232 7.2853 124.8759 50.3899 20.2853 177.8762 15 G 3.7347 8.3911 107.6727 47.7344 0.0000 174.5633 16 T 3.8894 7.4146 110.9312 61.8666 68.8989 175.6630 17 G 3.7972 8.7214 114.3378 48.1840 0.0000 173.4947 18 H 4.1611 7.6515 117.8491 56.5726 30.3307 173.8085 19 F 5.5038 7.0548 118.2287 55.9869 41.6550 171.2023 20 Y 4.9765 8.9466 119.2161 56.8162 42.4384 174.0222 21 T 5.0870 7.8811 112.5191 61.8437 70.5073 172.7532 22 T 4.5185 8.6713 122.0553 62.1294 71.4924 171.2225 23 T 4.8645 8.1262 111.1078 60.0004 70.8025 174.0717 24 K 4.2106 7.7717 120.3973 56.2223 37.0601 173.0966 25 N 4.7621 8.3067 126.5100 52.4408 39.7221 174.7048 26 K 3.8963 8.4945 127.0640 59.9910 32.3750 178.6490 27 R 4.0775 7.9136 118.2077 59.4046 30.2001 178.7307 28 T 4.3004 8.6509 109.1072 63.5996 68.8304 174.7921 29 K 4.3428 7.6017 122.0720 54.5383 34.6846 174.1805 30 P 4.3854 0.0000 0.0000 65.1567 31.6272 177.7532 31 E 4.0661 7.9685 114.8639 55.9468 29.9430 176.7110 32 K 4.1909 8.5102 120.9776 56.8941 33.6136 176.0318 33 L 4.7074 8.4812 121.4138 53.3272 43.8248 175.2427 34 E 5.0368 8.5561 123.7554 54.2142 31.9082 176.7693 35 L 4.1670 8.6622 121.8693 55.3324 41.6143 173.4313 36 K 3.8626 8.5392 121.1592 57.4232 29.3474 174.4427 37 K 4.5731 8.4456 121.6165 53.9431 34.8397 176.5180 38 F 4.1340 8.9775 127.7753 58.9591 39.7352 173.5473 39 D 4.7534 6.2140 118.9017 51.8466 42.3673 174.6024 40 P 4.5180 0.0000 0.0000 63.8881 31.8587 177.2440 41 V 4.0104 7.6301 116.5757 63.0943 32.3084 176.1128 42 V 4.0218 7.4238 116.3752 61.7712 32.4990 176.3584 43 R 3.8979 7.4300 114.9532 57.0954 28.3959 175.2399 44 Q 4.6040 7.1554 118.2506 54.3452 33.0665 174.4789 45 H 4.7673 8.9401 121.9191 56.0425 27.7573 175.6543 46 V 3.9855 8.0749 123.4472 60.8953 33.9384 175.7488 47 I 4.4525 8.0032 122.9387 59.9898 35.9507 174.2152 48 Y 4.1867 8.3211 124.0199 57.9543 39.4525 175.1045 49 K 4.9384 8.1200 121.7031 54.9814 36.8504 170.4585 50 E 4.0861 9.8064 127.1166 56.2967 31.0694 175.3936 51 A 4.7177 8.3867 128.3735 51.0339 19.8163 175.9713 52 K 4.2243 8.1753 125.1752 56.4128 31.5028 177.3381 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 3 G 8.35 3.85 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 0.00 0.00 0.00 4 I 8.52 3.45 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.57 0.91 0.00 0.00 5 R 8.37 4.60 0.00 1.78 1.84 0.00 3.28 0.00 0.00 3.23 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.62 0.00 6 E 8.16 4.47 0.00 1.97 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 2.29 0.00 7 K 8.48 4.69 0.00 1.64 1.74 0.00 1.72 0.00 0.00 1.71 0.00 0.00 2.93 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.41 1.47 7.81 8 I 8.63 4.67 1.91 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 1.13 0.96 0.00 0.00 9 K 8.22 5.38 0.00 1.71 1.86 0.00 0.97 0.00 0.00 2.23 0.00 0.00 2.87 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.28 1.27 7.81 10 L 8.71 4.83 0.00 1.79 1.88 1.06 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 11 V 8.58 4.31 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 0.91 0.00 0.00 1.02 0.00 0.00 12 S 7.92 2.97 0.00 3.96 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 13 S 8.21 4.06 0.00 3.92 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 14 A 7.29 4.42 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 15 G 8.39 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.41 3.89 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 1.25 0.00 0.00 17 G 8.72 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 H 7.65 4.16 0.00 3.11 3.26 0.00 5.53 0.00 0.00 0.00 0.00 6.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 F 7.05 5.50 0.00 3.12 3.07 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 20 Y 8.95 4.98 0.00 3.04 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 21 T 7.88 5.09 4.34 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 1.11 0.00 0.00 22 T 8.67 4.52 4.29 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 1.27 0.00 0.00 23 T 8.13 4.86 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 1.21 0.00 0.00 24 K 7.77 4.21 0.00 1.93 1.67 0.00 1.64 0.00 0.00 1.59 0.00 0.00 2.85 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.20 1.23 7.81 25 N 8.31 4.76 0.00 2.76 2.66 0.00 0.00 6.82 5.97 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 26 K 8.49 3.90 0.00 2.02 1.79 0.00 1.73 0.00 0.00 1.71 0.00 0.00 3.14 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.43 1.60 7.81 27 R 7.91 4.08 0.00 1.95 1.99 0.00 3.27 0.00 0.00 3.28 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.70 0.00 28 T 8.65 4.30 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 29 K 7.60 4.34 0.00 1.75 1.94 0.00 1.72 0.00 0.00 1.71 0.00 0.00 3.18 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.38 1.56 7.81 30 P 0.00 4.39 0.00 2.04 2.10 0.00 3.69 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 2.03 2.07 0.00 31 E 7.97 4.07 0.00 2.08 1.97 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 2.29 2.29 0.00 32 K 8.51 4.19 0.00 1.68 1.81 0.00 1.71 0.00 0.00 1.71 0.00 0.00 2.91 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.46 1.49 7.81 33 L 8.48 4.71 0.00 1.65 1.61 0.96 0.85 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 34 E 8.56 5.04 0.00 1.82 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 2.22 2.35 0.00 35 L 8.66 4.17 0.00 1.67 1.70 0.97 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 36 K 8.54 3.86 0.00 1.94 1.95 0.00 1.70 0.00 0.00 1.73 0.00 0.00 2.81 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.39 1.46 7.81 37 K 8.45 4.57 0.00 0.82 0.77 0.00 1.71 0.00 0.00 1.61 0.00 0.00 2.99 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.19 0.87 7.81 38 F 8.98 4.13 0.00 2.63 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 39 D 6.21 4.75 0.00 2.83 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 40 P 0.00 4.52 0.00 2.04 2.18 0.00 3.48 0.00 0.00 3.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 2.10 0.00 41 V 7.63 4.01 2.05 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 0.76 0.00 0.00 0.92 0.00 0.00 42 V 7.42 4.02 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 0.85 0.00 0.00 0.89 0.00 0.00 43 R 7.43 3.90 0.00 2.01 2.05 0.00 3.17 0.00 0.00 3.16 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.55 0.00 44 Q 7.16 4.60 0.00 2.10 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.50 7.01 0.00 0.00 0.00 0.00 0.00 2.27 2.46 0.00 45 H 8.94 4.77 0.00 3.17 3.35 0.00 5.89 0.00 0.00 0.00 0.00 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 V 8.07 3.99 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 0.66 0.00 0.00 0.82 0.00 0.00 47 I 8.00 4.45 1.85 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 1.35 0.47 0.92 0.00 0.00 48 Y 8.32 4.19 0.00 2.74 2.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 K 8.12 4.94 0.00 1.79 1.91 0.00 1.67 0.00 0.00 1.66 0.00 0.00 2.74 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.27 1.19 7.81 50 E 9.81 4.09 0.00 2.18 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 2.27 2.24 0.00 51 A 8.39 4.72 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 52 K 8.18 4.22 0.00 1.86 2.10 0.00 1.79 0.00 0.00 1.80 0.00 0.00 2.94 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.29 1.39 7.81