NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 F 4.9840 8.3249 119.4054 57.6635 40.3968 174.3861 4 R 4.2728 8.7318 122.8806 57.1500 31.6988 175.7325 5 I 3.9813 8.6568 120.8131 61.6763 39.0781 175.5414 6 R 5.4181 9.2708 125.7125 54.3226 34.3723 174.5482 7 K 4.9210 9.2047 118.5816 55.1424 36.0753 174.9024 8 C 4.4153 8.8048 123.1177 56.7120 43.9465 173.0058 9 P 4.1740 0.0000 0.0000 65.3458 30.9744 177.5766 10 K 3.9919 7.6261 117.0604 59.5701 32.3467 176.9920 11 C 4.2821 7.9805 115.0316 56.2508 42.3380 175.1419 12 G 3.6289 7.7053 105.6287 45.0542 0.0000 173.5287 13 R 3.9587 7.5820 120.8290 57.0565 31.0088 174.8237 14 Y 4.7812 8.5596 123.6977 57.8275 39.2305 174.5158 15 T 4.6338 8.7311 116.5448 61.6236 71.0812 173.9072 16 L 4.3222 8.5557 123.7297 55.5873 42.5821 177.6801 17 K 4.3087 7.8000 117.7000 56.3259 32.6665 176.6248 18 E 4.5137 8.9030 119.0791 56.7924 30.9907 176.5608 19 V 4.7951 7.5810 118.7755 59.3206 33.6824 176.3217 20 C 4.1181 9.1660 125.3485 57.1053 43.8562 172.8596 21 P 4.1943 0.0000 0.0000 64.4232 31.7330 177.9182 22 V 3.7583 7.8939 117.7508 65.4048 31.7678 175.4453 23 C 4.5196 8.2742 112.0650 54.9554 42.8720 174.7960 24 G 3.7797 7.8490 107.0959 44.6288 0.0000 173.3484 25 E 4.2310 7.7636 119.2003 55.7382 30.8563 176.4934 26 K 4.4981 8.6960 121.9293 57.5823 32.8357 176.6690 27 T 4.6530 8.8582 114.5807 60.4344 71.7967 173.3239 28 K 4.8066 8.7111 119.9544 53.9781 35.9421 176.2965 29 V 3.7876 8.5831 121.9435 63.7830 31.6449 176.4315 30 A 4.2392 8.8709 130.6006 55.3079 18.8014 177.8775 31 H 4.3465 7.4521 108.4116 54.6335 29.5335 173.7791 32 P 4.4890 0.0000 0.0000 61.4743 31.9350 174.8092 33 P 4.4760 0.0000 0.0000 62.8007 31.9088 176.5614 34 R 4.2410 8.4659 119.5169 56.2041 30.7180 176.0809 35 F 4.9345 8.6857 123.1310 56.1830 42.5550 174.3173 36 S 4.6015 6.8560 119.4339 55.5050 65.5696 173.3176 37 P 4.4337 0.0000 0.0000 65.4941 31.4491 177.7338 38 E 3.8683 8.1099 117.1209 58.1067 29.7804 176.4121 39 D 4.0173 7.6650 116.5550 54.5621 39.7497 172.2597 40 P 4.1414 0.0000 0.0000 65.1330 32.1350 178.1046 41 Y 5.1968 7.2679 113.8113 57.7810 38.1809 177.2848 42 G 4.0009 7.8602 111.2029 47.4376 0.0000 175.6422 43 E 3.8631 8.3013 121.0956 59.2462 29.5982 178.2529 44 Y 4.2177 7.9277 115.8869 60.4661 38.2833 177.6628 45 R 4.2593 8.6840 120.3237 59.6440 30.2218 178.8422 46 R 4.0614 8.4849 118.1446 58.9209 30.2026 178.7992 47 R 3.9212 7.9633 118.2989 59.3114 30.0717 178.4393 48 W 4.3549 8.4054 128.0831 60.3437 30.7074 177.9377 49 K 3.0682 8.1513 119.6658 58.8104 31.2243 178.9844 50 R 3.7996 7.8925 118.5254 59.1977 29.8101 178.3947 51 E 3.9679 7.3757 116.4241 59.2975 29.6714 178.6825 52 V 3.6161 7.1154 116.5707 66.1032 31.6343 177.7038 53 L 4.1090 7.8261 117.6790 57.0627 41.5204 178.6689 54 G 4.1002 8.9988 107.1552 45.5097 0.0000 173.4784 55 I 3.9499 7.6401 118.2999 60.6582 37.9172 175.4016 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 F 8.32 4.98 0.00 3.14 3.02 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 4 R 8.73 4.27 0.00 1.95 2.03 0.00 3.24 0.00 0.00 3.26 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.77 0.00 5 I 8.66 3.98 1.96 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.78 1.03 0.00 0.00 6 R 9.27 5.42 0.00 1.88 1.92 0.00 3.14 0.00 0.00 3.55 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.85 0.00 7 K 9.20 4.92 0.00 1.33 1.02 0.00 0.61 0.00 0.00 1.39 0.00 0.00 2.58 0.00 0.00 2.39 0.00 0.00 0.00 0.00 1.10 1.19 7.81 8 C 8.80 4.42 0.00 2.96 3.01 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 0.00 0.00 0.00 9 P 0.00 4.17 0.00 2.07 2.07 0.00 3.72 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.08 0.00 10 K 7.63 3.99 0.00 1.70 1.78 0.00 1.72 0.00 0.00 1.75 0.00 0.00 3.10 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.44 1.48 7.81 11 C 7.98 4.28 0.00 3.05 3.19 0.00 0.00 0.00 0.00 0.00 0.00 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 7.71 3.63 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 0.00 0.00 0.00 13 R 7.58 3.96 0.00 1.93 1.79 0.00 3.25 0.00 0.00 3.35 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.75 0.00 14 Y 8.56 4.78 0.00 2.93 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 15 T 8.73 4.63 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 1.28 0.00 0.00 16 L 8.56 4.32 0.00 1.70 1.73 0.95 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 17 K 7.80 4.31 0.00 1.78 1.76 0.00 1.71 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.49 1.43 7.81 18 E 8.90 4.51 0.00 1.93 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 2.38 2.16 0.00 19 V 7.58 4.80 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 0.71 0.00 0.00 0.93 0.00 0.00 20 C 9.17 4.12 0.00 3.15 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 21 P 0.00 4.19 0.00 2.09 2.09 0.00 3.73 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.07 0.00 22 V 7.89 3.76 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 0.81 0.00 0.00 0.93 0.00 0.00 23 C 8.27 4.52 0.00 3.10 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 24 G 7.85 3.78 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 0.00 0.00 0.00 25 E 7.76 4.23 0.00 1.89 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 2.39 2.28 0.00 26 K 8.70 4.50 0.00 1.64 1.77 0.00 1.76 0.00 0.00 1.76 0.00 0.00 2.96 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.45 1.41 7.81 27 T 8.86 4.65 4.33 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 1.22 0.00 0.00 28 K 8.71 4.81 0.00 1.67 1.69 0.00 1.70 0.00 0.00 1.60 0.00 0.00 2.79 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.37 1.37 7.81 29 V 8.58 3.79 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 1.10 0.00 0.00 1.02 0.00 0.00 30 A 8.87 4.24 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 H 7.45 4.35 0.00 2.83 2.95 0.00 5.66 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 P 0.00 4.49 0.00 2.07 2.00 0.00 3.69 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.10 0.00 33 P 0.00 4.48 0.00 2.15 2.10 0.00 3.75 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.22 0.00 34 R 8.47 4.24 0.00 1.87 1.93 0.00 3.22 0.00 0.00 3.22 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.74 0.00 35 F 8.69 4.93 0.00 2.98 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 36 S 6.86 4.60 0.00 3.95 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 37 P 0.00 4.43 0.00 2.07 2.24 0.00 3.61 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.21 0.00 38 E 8.11 3.87 0.00 1.79 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 2.25 2.30 0.00 39 D 7.67 4.02 0.00 2.73 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 40 P 0.00 4.14 0.00 0.99 1.81 0.00 3.21 0.00 0.00 3.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.83 0.00 41 Y 7.27 5.20 0.00 3.11 2.96 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 42 G 7.86 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 0.00 0.00 0.00 43 E 8.30 3.86 0.00 1.94 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 1.56 2.13 0.00 44 Y 7.93 4.22 0.00 3.22 3.06 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 0.00 45 R 8.68 4.26 0.00 2.08 2.28 0.00 3.39 0.00 0.00 3.38 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.08 0.00 46 R 8.48 4.06 0.00 2.15 1.98 0.00 3.22 0.00 0.00 3.12 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.70 0.00 47 R 7.96 3.92 0.00 2.06 2.19 0.00 3.18 0.00 0.00 3.14 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.67 0.00 48 W 8.41 4.35 0.00 3.45 3.42 0.00 0.00 0.00 0.00 0.00 0.00 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 8.15 3.07 0.00 1.76 1.65 0.00 1.65 0.00 0.00 1.55 0.00 0.00 2.80 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.20 0.98 7.81 50 R 7.89 3.80 0.00 1.88 1.93 0.00 3.18 0.00 0.00 3.08 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.85 0.00 51 E 7.38 3.97 0.00 2.08 2.13 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 2.35 2.33 0.00 52 V 7.12 3.62 1.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.68 0.00 0.00 0.53 0.00 0.00 53 L 7.83 4.11 0.00 1.51 1.64 0.83 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 54 G 9.00 4.10 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 I 7.64 3.95 1.84 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 1.24 0.64 0.87 0.00 0.00