NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 I 3.5973 8.0244 114.2388 60.4347 38.5807 174.3219 4 K 4.2025 7.0333 121.9154 54.4633 34.5958 170.3048 5 V 4.2226 8.0755 123.0482 61.4335 34.6312 174.2437 6 R 4.4652 8.5109 127.7259 55.2947 32.1169 173.5583 7 E 4.8443 8.6078 124.6063 54.3591 32.4371 175.5145 8 N 4.3417 8.5924 119.9096 53.7641 39.9072 170.6457 9 E 3.4797 8.6348 131.3867 54.4418 29.9543 172.3533 10 P 3.9351 0.0000 0.0000 62.8213 31.7663 176.7053 11 F 4.7297 8.4064 112.9890 56.7860 41.0132 173.7118 12 D 4.3480 8.0908 117.5710 55.2023 38.6924 171.2403 13 V 4.3187 7.7731 117.4633 58.9933 33.1093 175.9086 14 A 3.9047 8.5209 128.4028 53.9356 18.3624 178.3432 15 L 4.2026 7.9711 110.6936 55.6506 39.7172 177.1414 16 R 4.1040 7.5196 120.4902 59.0088 30.0393 177.7974 17 R 4.1399 8.2288 117.5339 58.7697 29.8557 177.9129 18 F 4.0728 7.7512 118.4577 60.5910 39.7055 176.9267 19 K 4.2316 8.6775 119.0029 59.7098 31.7807 179.4511 20 R 4.3151 8.0185 117.8727 58.6870 29.9463 178.5608 21 S 4.3042 7.7845 112.9350 60.9510 62.8585 173.9653 22 C 4.7974 8.0669 116.0527 58.5597 34.7866 177.7696 23 E 4.5292 7.2094 128.5844 55.1935 29.9324 176.0940 24 K 3.5984 8.6187 124.9332 57.7994 30.8456 175.7592 25 A 4.2315 8.5335 121.3879 53.0875 18.8907 176.8173 26 G 4.3721 8.8466 111.2144 45.7934 0.0000 175.1780 27 V 4.0911 7.5364 116.4307 62.6477 32.9963 175.8293 28 L 4.3357 8.0054 120.5671 56.8406 42.7665 178.0231 29 A 3.8911 7.9543 118.5566 54.0005 18.2904 177.2658 30 E 4.2575 7.9494 114.8857 56.2343 30.1604 176.2390 31 V 4.0990 8.2897 117.7892 63.5648 33.1089 177.3108 32 R 3.9672 8.0270 117.8224 58.8102 30.1170 175.5407 33 R 4.7648 6.9920 114.2281 53.8552 33.0242 174.3929 34 R 4.1127 8.4330 115.3265 56.6322 30.6569 176.2274 35 E 3.7372 9.0239 119.8637 56.9583 28.4582 177.0794 36 F 4.5596 7.4952 131.2897 59.0364 44.2330 174.0867 37 Y 3.9395 7.4018 116.5455 57.8120 36.8154 170.6123 38 E 4.4068 8.4597 121.7801 58.1578 31.2549 177.3515 39 K 3.9159 7.9835 118.5256 59.0360 32.0912 177.2869 40 P 3.6809 0.0000 0.0000 66.0513 31.3407 178.4222 41 T 4.0277 7.1036 111.9369 64.4755 68.8728 174.4022 42 T 4.4292 7.7951 109.4566 61.3291 70.3445 175.6886 43 E 3.7502 6.5744 122.7973 58.7498 30.9292 178.6551 44 R 4.0043 7.7689 117.1211 58.7639 30.4220 177.8714 45 K 4.4258 7.6927 113.7966 56.9076 32.3619 178.1205 46 R 4.2088 8.2006 119.3368 57.4892 30.1607 178.0846 47 A 4.0477 7.5668 119.8166 54.3702 18.2440 179.5887 48 K 3.7773 7.9838 117.2838 59.8599 32.7318 178.9926 49 A 4.0266 7.9916 120.9961 54.1742 18.3828 178.4381 50 S 4.4766 7.7558 110.2282 59.6415 63.5250 175.6911 51 A 4.0065 8.4728 123.4535 54.5692 18.1014 179.5631 52 V 3.6960 7.7764 117.1659 64.4919 31.4005 176.1963 53 K 3.9791 8.0248 125.0840 57.0736 32.9625 174.0972 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 I 8.02 3.60 1.81 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 1.26 1.06 1.01 0.00 0.00 4 K 7.03 4.20 0.00 1.68 1.57 0.00 1.70 0.00 0.00 1.62 0.00 0.00 2.83 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.26 1.42 7.81 5 V 8.08 4.22 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 0.94 0.00 0.00 0.93 0.00 0.00 6 R 8.51 4.47 0.00 1.74 1.75 0.00 3.23 0.00 0.00 3.22 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.64 0.00 7 E 8.61 4.84 0.00 2.31 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 0.00 2.32 2.46 0.00 8 N 8.59 4.34 0.00 2.67 2.74 0.00 0.00 6.99 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 E 8.63 3.48 0.00 2.06 1.87 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 2.25 2.21 0.00 10 P 0.00 3.94 0.00 2.10 1.89 0.00 3.68 0.00 0.00 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.85 0.00 11 F 8.41 4.73 0.00 3.00 3.17 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 12 D 8.09 4.35 0.00 2.80 2.72 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.77 4.32 1.96 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 0.76 0.00 0.00 0.86 0.00 0.00 14 A 8.52 3.90 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 15 L 7.97 4.20 0.00 1.90 1.83 0.97 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 16 R 7.52 4.10 0.00 1.78 1.96 0.00 3.19 0.00 0.00 3.19 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.75 0.00 17 R 8.23 4.14 0.00 1.85 1.97 0.00 3.34 0.00 0.00 3.26 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.65 0.00 18 F 7.75 4.07 0.00 3.28 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 19 K 8.68 4.23 0.00 2.00 1.88 0.00 1.79 0.00 0.00 1.72 0.00 0.00 3.03 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.49 1.56 7.81 20 R 8.02 4.32 0.00 1.90 1.98 0.00 3.32 0.00 0.00 3.40 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.76 0.00 21 S 7.78 4.30 0.00 3.88 3.99 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 22 C 8.07 4.80 0.00 3.08 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 23 E 7.21 4.53 0.00 2.07 1.78 0.00 0.00 0.00 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 2.40 0.00 24 K 8.62 3.60 0.00 2.05 1.55 0.00 1.76 0.00 0.00 1.83 0.00 0.00 2.89 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.41 1.39 7.81 25 A 8.53 4.23 1.27 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 0.00 0.00 0.00 26 G 8.85 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 0.00 0.00 0.00 0.00 27 V 7.54 4.09 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 0.91 0.00 0.00 0.99 0.00 0.00 28 L 8.01 4.34 0.00 1.86 1.61 0.92 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 29 A 7.95 3.89 1.29 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 0.00 0.00 30 E 7.95 4.26 0.00 2.14 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 2.15 2.38 0.00 31 V 8.29 4.10 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 0.88 0.00 0.00 0.92 0.00 0.00 32 R 8.03 3.97 0.00 1.79 1.99 0.00 3.18 0.00 0.00 3.21 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.82 0.00 33 R 6.99 4.76 0.00 1.72 1.77 0.00 3.19 0.00 0.00 3.27 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.49 0.00 34 R 8.43 4.11 0.00 2.02 2.07 0.00 3.04 0.00 0.00 3.31 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.72 0.00 35 E 9.02 3.74 0.00 1.16 1.31 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 0.00 2.28 2.39 0.00 36 F 7.50 4.56 0.00 2.83 2.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 Y 7.40 3.94 0.00 3.21 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 38 E 8.46 4.41 0.00 2.15 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 2.33 2.46 0.00 39 K 7.98 3.92 0.00 1.88 1.85 0.00 2.10 0.00 0.00 2.05 0.00 0.00 3.22 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.59 1.65 7.81 40 P 0.00 3.68 0.00 2.09 1.81 0.00 3.67 0.00 0.00 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.04 0.00 41 T 7.10 4.03 4.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 42 T 7.80 4.43 4.20 0.00 0.00 0.00 0.00 0.00 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 43 E 6.57 3.75 0.00 1.80 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 0.00 2.29 2.33 0.00 44 R 7.77 4.00 0.00 1.87 1.81 0.00 2.43 0.00 0.00 2.25 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.54 0.00 45 K 7.69 4.43 0.00 1.72 1.80 0.00 1.70 0.00 0.00 1.68 0.00 0.00 2.96 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.39 1.40 7.81 46 R 8.20 4.21 0.00 1.94 1.94 0.00 3.10 0.00 0.00 3.15 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.76 0.00 47 A 7.57 4.05 1.31 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 0.00 0.00 0.00 0.00 0.00 0.00 48 K 7.98 3.78 0.00 1.98 2.06 0.00 1.51 0.00 0.00 1.81 0.00 0.00 2.95 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.47 1.49 7.81 49 A 7.99 4.03 1.39 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 0.00 0.00 50 S 7.76 4.48 0.00 3.87 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 51 A 8.47 4.01 1.34 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 0.00 0.00 0.00 52 V 7.78 3.70 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 0.80 0.00 0.00 0.92 0.00 0.00 53 K 8.02 3.98 0.00 1.65 1.63 0.00 1.83 0.00 0.00 1.74 0.00 0.00 3.00 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.25 1.26 7.81