NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 S 4.4267 8.3231 116.7468 58.3638 64.7826 173.2495 3 G 4.2038 8.2035 108.8976 46.8008 0.0000 170.2632 4 T 4.6203 8.9443 123.0675 61.3228 72.9954 171.8166 5 R 4.5039 7.9291 124.9749 54.4579 31.6281 174.3343 6 Y 5.0658 8.4030 125.1601 56.8718 40.3299 175.1718 7 S 5.5986 8.6397 117.9225 56.9132 67.0851 173.1123 8 W 5.7303 9.6577 121.2499 55.2578 34.1857 174.0591 9 K 4.8206 8.9725 121.1907 54.9558 33.5962 175.9646 10 V 4.7418 8.3929 125.0208 61.2561 34.3453 175.1517 11 S 4.6900 9.2790 119.4922 58.2872 64.7873 172.8840 12 G 3.5358 9.5303 120.0882 45.9581 0.0000 173.6393 13 M 4.2056 7.5204 121.6935 54.3384 30.7926 175.1266 14 D 4.5224 7.4773 122.2913 50.9264 41.7904 173.5034 15 C 4.3499 7.3644 119.5310 58.1754 35.3003 173.3979 16 A 4.7806 8.3909 128.7263 49.9532 16.8393 175.3822 17 A 4.4687 7.5251 133.2631 51.3269 24.5560 179.1506 18 C 4.2449 7.7238 111.4062 61.1287 29.5455 175.7927 19 A 3.7291 8.1573 122.9393 55.0470 17.8991 179.6066 20 R 3.7802 7.8652 115.7577 59.5110 30.2383 179.0784 21 K 3.9782 8.2478 118.3497 59.7965 31.5119 179.0981 22 V 3.5981 8.3334 118.8488 66.0962 31.4228 177.8517 23 E 3.9052 8.3679 117.0750 59.6442 29.5117 178.8538 24 N 4.4123 8.8169 117.5796 55.8393 38.3471 177.1041 25 A 4.0637 8.1799 121.7856 54.5693 18.5257 179.1544 26 V 3.9599 7.2466 115.5852 65.4825 31.9366 178.3530 27 R 3.9292 8.3797 117.0457 58.9989 29.9501 178.5871 28 Q 4.1709 7.8425 116.1016 56.8410 28.8577 177.3141 29 L 4.6713 8.4657 124.7115 53.8157 40.7093 175.8600 30 A 4.3864 8.6483 134.0100 53.9759 23.6181 178.8088 31 G 3.8073 7.6686 103.7439 47.1376 0.0000 173.9515 32 V 4.0143 7.7053 120.2079 63.3860 31.8941 175.2110 33 N 5.1191 8.7453 122.9001 52.2962 38.9349 173.9939 34 Q 4.6689 7.6345 115.0703 56.2603 32.7505 173.1358 35 V 4.6874 8.3919 114.9655 60.0502 35.9520 175.5591 36 Q 4.3241 9.1980 123.4186 54.0459 30.4928 172.9868 37 V 4.2012 7.9629 115.1053 59.7643 32.6855 174.9467 38 L 4.5374 7.9948 129.2704 52.8187 43.8707 176.3629 39 F 4.4888 8.7613 124.8386 58.4388 39.8059 175.0781 40 A 4.1441 9.7068 130.2469 53.9233 17.5440 179.9456 41 T 3.9699 7.8987 109.8088 64.5798 69.0093 174.2198 42 E 3.8188 8.0373 121.5634 57.0880 28.6914 173.2025 43 K 5.0125 7.9396 115.3803 54.6879 35.5395 174.4223 44 L 4.6047 8.8873 126.8929 53.4907 44.2649 175.1974 45 V 4.9214 8.6009 124.9058 61.1428 35.6892 174.3712 46 V 4.4954 8.7101 125.5424 61.3872 34.9488 173.5844 47 D 5.2327 9.0547 128.7428 52.8654 42.4332 175.5036 48 A 4.8758 8.8418 125.3443 49.6168 22.9421 175.7830 49 D 5.3599 8.4518 122.9120 51.7635 39.5104 176.0069 50 N 4.6002 7.6334 122.2340 52.3623 38.9306 174.0001 51 D 3.8073 8.3430 120.6876 54.3299 41.7453 176.1010 52 I 4.6748 7.6487 119.3343 59.9419 38.8392 177.5131 53 R 3.5875 8.8230 123.0885 60.0784 29.6681 178.4379 54 A 4.0824 7.7937 119.9933 55.0557 18.2277 179.4123 55 Q 3.8810 7.7787 117.7116 59.2437 29.2543 178.2836 56 V 3.6308 8.2045 119.6554 66.0469 31.6688 177.0521 57 E 3.9168 8.7102 119.4309 59.8078 29.2792 178.5548 58 S 4.0620 8.5515 112.7737 61.5589 62.2905 176.2001 59 A 3.9969 8.2064 123.0954 55.3868 18.0976 179.7150 60 L 4.0851 8.3006 117.8552 57.8386 41.6971 179.3620 61 Q 4.0028 8.7316 118.6815 59.1789 28.5301 179.4469 62 K 3.9300 8.1919 118.4311 60.0184 32.6287 178.6782 63 A 4.0645 8.1229 121.2489 53.0709 18.4411 177.7760 64 G 3.6444 8.1164 105.5469 46.1203 0.0000 173.1933 65 Y 4.6975 7.5624 116.6584 55.6904 40.9408 175.9379 66 S 4.3812 8.8291 121.7754 58.0252 63.0742 173.3333 67 L 5.4285 8.3312 125.8934 53.9956 43.6730 175.4962 68 R 4.6626 8.8689 116.9448 54.1235 33.8637 174.6824 69 D 4.2521 8.8496 123.8558 54.6317 41.5402 175.6107 70 E 4.4988 8.2941 125.9884 55.0710 31.3674 176.0309 71 Q 4.2262 8.9370 120.7307 55.1173 30.2125 176.8184 72 A 4.7517 8.0498 122.5932 51.3167 17.9789 177.9503 73 A 3.5486 7.9385 119.1186 53.1670 16.6450 178.1271 74 E 4.1313 7.8608 125.6300 56.8362 29.5980 175.3632 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 2 S 8.32 4.43 0.00 3.94 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 3 G 8.20 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 0.00 0.00 0.00 0.00 4 T 8.94 4.62 4.06 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 1.06 0.00 0.00 5 R 7.93 4.50 0.00 1.85 1.66 0.00 3.15 0.00 0.00 3.24 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.62 0.00 6 Y 8.40 5.07 0.00 3.20 3.28 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 7 S 8.64 5.60 0.00 4.02 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 W 9.66 5.73 0.00 3.02 2.88 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 0.00 0.00 0.00 9 K 8.97 4.82 0.00 1.76 1.76 0.00 1.76 0.00 0.00 1.62 0.00 0.00 2.82 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.40 1.41 7.81 10 V 8.39 4.74 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 0.88 0.00 0.00 0.97 0.00 0.00 11 S 9.28 4.69 0.00 3.79 3.79 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 0.00 0.00 0.00 12 G 9.53 3.54 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 0.00 0.00 0.00 13 M 7.52 4.21 0.00 1.90 1.64 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.47 0.00 14 D 7.48 4.52 0.00 2.73 2.39 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 15 C 7.36 4.35 0.00 2.91 2.71 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 16 A 8.39 4.78 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 17 A 7.53 4.47 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 18 C 7.72 4.24 0.00 2.96 3.33 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 19 A 8.16 3.73 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.87 3.78 0.00 1.99 1.98 0.00 3.17 0.00 0.00 3.34 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.72 0.00 21 K 8.25 3.98 0.00 2.03 2.05 0.00 1.73 0.00 0.00 1.67 0.00 0.00 3.06 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.53 1.52 7.81 22 V 8.33 3.60 2.14 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 0.88 0.00 0.00 0.63 0.00 0.00 23 E 8.37 3.91 0.00 2.16 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 2.51 2.34 0.00 24 N 8.82 4.41 0.00 2.81 2.92 0.00 0.00 7.21 7.90 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 25 A 8.18 4.06 1.43 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 0.00 0.00 0.00 26 V 7.25 3.96 2.16 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 1.21 0.00 0.00 0.91 0.00 0.00 27 R 8.38 3.93 0.00 1.76 1.98 0.00 3.29 0.00 0.00 3.25 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.76 0.00 28 Q 7.84 4.17 0.00 2.25 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.51 6.98 0.00 0.00 0.00 0.00 0.00 2.51 2.42 0.00 29 L 8.47 4.67 0.00 1.72 0.75 0.97 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 30 A 8.65 4.39 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 31 G 7.67 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.71 4.01 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 0.97 0.00 0.00 1.04 0.00 0.00 33 N 8.75 5.12 0.00 2.67 2.80 0.00 0.00 7.12 8.26 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 34 Q 7.63 4.67 0.00 1.94 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.09 6.89 0.00 0.00 0.00 0.00 0.00 2.16 2.19 0.00 35 V 8.39 4.69 1.98 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 0.61 0.00 0.00 0.87 0.00 0.00 36 Q 9.20 4.32 0.00 1.82 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 7.19 0.00 0.00 0.00 0.00 0.00 2.21 2.24 0.00 37 V 7.96 4.20 1.84 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 0.49 0.00 0.00 0.62 0.00 0.00 38 L 7.99 4.54 0.00 1.65 1.48 0.94 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 39 F 8.76 4.49 0.00 3.09 2.78 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 0.00 0.00 0.00 40 A 9.71 4.14 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 T 7.90 3.97 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 42 E 8.04 3.82 0.00 2.16 1.98 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 2.36 2.41 0.00 43 K 7.94 5.01 0.00 1.91 1.90 0.00 1.43 0.00 0.00 1.76 0.00 0.00 2.94 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.38 1.45 7.81 44 L 8.89 4.60 0.00 1.75 1.46 0.40 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 45 V 8.60 4.92 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.72 0.00 0.00 0.99 0.00 0.00 46 V 8.71 4.50 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 0.83 0.00 0.00 0.47 0.00 0.00 47 D 9.05 5.23 0.00 2.66 2.52 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.84 4.88 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.45 5.36 0.00 2.76 2.67 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 50 N 7.63 4.60 0.00 3.02 3.02 0.00 0.00 5.85 8.14 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 51 D 8.34 3.81 0.00 2.51 2.49 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.65 4.67 1.89 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.21 0.91 0.00 0.00 53 R 8.82 3.59 0.00 1.42 1.38 0.00 2.83 0.00 0.00 2.87 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 1.21 0.00 54 A 7.79 4.08 1.25 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 0.00 0.00 55 Q 7.78 3.88 0.00 2.19 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.86 0.00 0.00 0.00 0.00 0.00 2.44 2.48 0.00 56 V 8.20 3.63 2.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 1.22 0.00 0.00 57 E 8.71 3.92 0.00 2.07 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 0.00 2.33 2.39 0.00 58 S 8.55 4.06 0.00 4.01 4.02 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.21 4.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.30 4.09 0.00 1.83 1.84 0.73 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 61 Q 8.73 4.00 0.00 2.31 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 7.27 0.00 0.00 0.00 0.00 0.00 2.39 2.40 0.00 62 K 8.19 3.93 0.00 1.87 1.93 0.00 1.61 0.00 0.00 1.71 0.00 0.00 3.07 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.61 1.52 7.81 63 A 8.12 4.06 1.43 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 0.00 0.00 0.00 64 G 8.12 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 Y 7.56 4.70 0.00 2.96 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 66 S 8.83 4.38 0.00 3.93 3.84 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 67 L 8.33 5.43 0.00 1.87 1.75 1.08 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 68 R 8.87 4.66 0.00 1.75 1.83 0.00 3.15 0.00 0.00 3.11 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.58 0.00 69 D 8.85 4.25 0.00 2.47 2.45 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.29 4.50 0.00 2.06 1.89 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 2.33 2.47 0.00 71 Q 8.94 4.23 0.00 2.01 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 7.15 0.00 0.00 0.00 0.00 0.00 2.38 2.47 0.00 72 A 8.05 4.75 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 73 A 7.94 3.55 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 74 E 7.86 4.13 0.00 2.21 1.95 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 2.30 2.29 0.00