NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 A 4.2908 8.2644 123.5835 52.0218 20.9177 176.7393 3 E 3.8933 7.9317 116.1712 56.2331 30.8241 173.2560 4 I 4.7840 9.1510 128.5401 59.8113 39.4426 174.6810 5 K 4.5736 9.2806 126.3562 54.6992 36.0935 174.5676 6 H 4.7655 8.3263 120.7221 54.7515 32.1051 171.8829 7 Y 5.3977 8.3997 123.6409 56.3180 41.2113 174.7798 8 Q 4.9014 8.6138 122.9924 54.4317 32.6204 173.6539 9 F 5.2507 9.3471 125.2581 55.6861 42.2705 174.2676 10 N 4.9511 9.2059 122.8300 52.8107 39.6822 173.6595 11 V 4.7254 8.2013 126.8788 60.7460 33.9918 175.4009 12 V 4.0558 8.6739 128.1998 62.9211 31.3411 174.8409 13 M 4.7787 8.6401 127.0991 53.8463 34.7804 175.6853 14 T 4.3594 8.7193 119.8921 64.3583 70.4339 174.1415 15 C 4.9936 7.5003 114.8327 55.5913 34.2430 174.5313 16 S 4.3204 8.5637 114.3233 60.6597 62.4987 176.4271 17 G 3.6256 8.0709 109.7657 48.1353 0.0000 175.1134 18 C 4.1097 8.0861 119.4717 62.5693 28.2232 176.3582 19 S 4.2824 8.0056 115.8890 61.1111 62.7726 176.6804 20 G 3.5961 8.3207 109.3053 47.5132 0.0000 175.5558 21 A 4.0103 8.1849 123.1818 54.9104 18.4721 179.9384 22 V 3.4793 7.5089 116.7612 65.9568 31.5250 177.6109 23 N 4.2570 8.2049 116.7704 56.8704 38.8935 176.7072 24 K 3.8666 8.5064 120.0160 59.8768 31.9184 179.7180 25 V 3.6737 7.3298 111.1616 64.0916 31.7103 178.2467 26 L 4.2278 7.7326 118.6725 57.6146 41.6091 179.3947 27 T 3.9835 8.2911 110.1505 64.5122 68.5594 176.6574 28 K 4.0692 7.8023 119.8626 58.2912 32.1738 177.3990 29 L 4.6804 7.5228 118.1826 54.2889 42.0050 176.1829 30 E 4.7252 8.2002 118.6041 55.3288 29.8095 175.0948 31 P 4.7860 0.0000 0.0000 63.1312 32.1612 176.7183 32 D 4.4129 8.1236 120.8389 57.3540 41.0622 176.4757 33 V 4.3728 8.1670 120.7085 62.2798 31.8282 175.9303 34 S 4.7133 8.9382 122.0269 58.5649 64.7689 174.2749 35 K 4.6574 7.8676 121.2528 55.1121 35.6084 174.3488 36 I 5.1268 8.4390 126.7334 59.6777 40.6282 174.5111 37 D 4.8575 9.6355 126.2668 52.7543 44.2779 174.5013 38 I 4.8541 8.5534 124.4750 59.4699 39.7894 175.1976 39 S 4.5354 8.9995 122.6717 56.4735 63.1649 174.3322 40 L 4.0003 8.7565 130.1536 58.2601 42.2086 178.1012 41 E 4.1271 8.2281 116.5332 59.1888 29.4702 178.0961 42 K 4.1834 8.1983 115.9938 56.4127 32.9502 176.5426 43 Q 3.6534 8.2267 117.5209 57.3175 26.4705 172.7168 44 L 5.2660 7.7612 115.5131 52.9596 46.1493 176.5289 45 V 4.7935 8.6951 121.2956 61.5582 34.6101 173.6963 46 D 5.5006 9.4938 128.9343 52.7997 43.2243 175.9162 47 V 5.0239 8.9385 122.7064 61.3165 35.2266 173.5669 48 Y 5.1365 8.9358 124.9165 56.6418 40.6957 174.6057 49 T 5.4860 8.7871 116.6835 62.5434 71.1092 173.7561 50 T 4.5988 8.6003 115.3613 62.1170 69.7529 175.2265 51 L 4.2595 7.9705 122.5230 53.7789 42.6389 175.6373 52 P 4.6114 0.0000 0.0000 62.3463 33.1804 176.8997 53 Y 3.2459 8.6800 123.5715 60.8261 38.7110 178.5042 54 D 4.3433 8.3397 119.3237 56.5488 39.2811 178.2654 55 F 4.1001 8.1785 121.3640 61.0621 39.5738 177.0268 56 I 3.5278 7.7523 119.2942 64.1509 36.8426 177.9325 57 L 3.3409 7.7204 121.4964 58.3252 41.9024 179.0685 58 E 3.8325 7.9127 118.1633 58.8961 29.0993 179.4265 59 K 3.6848 7.3568 117.9437 59.3447 32.3080 179.0587 60 I 3.6549 7.3276 119.7511 64.4544 37.0754 178.5522 61 K 3.8048 7.9706 119.2684 59.3919 31.6391 178.5696 62 K 4.2604 7.5547 115.7480 57.2472 32.1755 178.5558 63 T 4.0567 7.9111 111.3976 62.8283 68.9831 175.6994 64 G 3.9174 7.8985 109.3029 44.9223 0.0000 173.6145 65 K 4.1229 7.4924 119.5769 55.6529 32.8160 176.3947 66 E 4.0528 8.7002 124.7238 56.2956 30.8050 175.2852 67 V 4.4667 8.2834 127.3778 61.8876 31.9313 175.6265 68 R 4.3374 9.5898 129.3107 59.2161 30.6787 176.8494 69 S 4.6830 7.8999 110.8097 57.8225 66.0614 174.1017 70 G 4.7606 8.8012 106.4444 44.4797 0.0000 171.6177 71 K 4.5312 8.7673 119.6661 55.4283 36.7799 174.2162 72 Q 5.0244 8.2889 121.6365 54.5048 30.6622 175.1357 73 L 4.3497 8.5813 125.5679 54.8134 41.5981 176.3157 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 A 8.26 4.29 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 3 E 7.93 3.89 0.00 2.16 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 2.39 2.42 0.00 4 I 9.15 4.78 1.90 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.87 1.00 0.00 0.00 5 K 9.28 4.57 0.00 1.34 1.44 0.00 1.54 0.00 0.00 1.72 0.00 0.00 3.10 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.40 1.38 7.81 6 H 8.33 4.77 0.00 2.81 2.92 0.00 5.64 0.00 0.00 0.00 0.00 6.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 Y 8.40 5.40 0.00 3.08 2.48 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.61 4.90 0.00 2.09 1.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.77 0.00 0.00 0.00 0.00 0.00 2.21 2.32 0.00 9 F 9.35 5.25 0.00 3.00 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 10 N 9.21 4.95 0.00 2.87 2.76 0.00 0.00 6.38 8.52 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 11 V 8.20 4.73 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 0.85 0.00 0.00 0.99 0.00 0.00 12 V 8.67 4.06 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 0.99 0.00 0.00 13 M 8.64 4.78 0.00 2.00 1.93 0.00 0.00 0.00 0.00 0.00 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.68 2.51 0.00 14 T 8.72 4.36 4.24 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 1.21 0.00 0.00 15 C 7.50 4.99 0.00 3.09 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 16 S 8.56 4.32 0.00 4.07 4.17 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 17 G 8.07 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 18 C 8.09 4.11 0.00 3.15 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 S 8.01 4.28 0.00 4.01 4.12 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 0.00 0.00 0.00 20 G 8.32 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.18 4.01 1.37 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 22 V 7.51 3.48 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 0.95 0.00 0.00 0.95 0.00 0.00 23 N 8.20 4.26 0.00 3.01 2.95 0.00 0.00 7.25 6.88 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 24 K 8.51 3.87 0.00 1.76 1.85 0.00 1.71 0.00 0.00 1.64 0.00 0.00 2.95 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.46 1.76 7.81 25 V 7.33 3.67 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 0.70 0.00 0.00 0.89 0.00 0.00 26 L 7.73 4.23 0.00 1.84 1.73 0.94 0.58 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 27 T 8.29 3.98 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 28 K 7.80 4.07 0.00 1.94 1.95 0.00 1.66 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.48 1.68 7.81 29 L 7.52 4.68 0.00 1.80 1.78 0.99 1.07 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 30 E 8.20 4.73 0.00 2.08 1.90 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 2.63 2.30 0.00 31 P 0.00 4.79 0.00 2.18 2.15 0.00 3.79 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 1.97 1.98 0.00 32 D 8.12 4.41 0.00 2.94 2.79 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 33 V 8.17 4.37 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 1.06 0.00 0.00 1.03 0.00 0.00 34 S 8.94 4.71 0.00 3.85 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 35 K 7.87 4.66 0.00 1.63 1.35 0.00 1.35 0.00 0.00 1.02 0.00 0.00 2.75 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.25 1.38 7.81 36 I 8.44 5.13 1.92 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.86 1.00 0.00 0.00 37 D 9.64 4.86 0.00 2.62 2.60 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.55 4.85 1.90 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 1.28 0.63 0.99 0.00 0.00 39 S 9.00 4.54 0.00 3.89 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 L 8.76 4.00 0.00 1.64 1.69 1.02 1.00 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 41 E 8.23 4.13 0.00 1.99 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 2.32 2.40 0.00 42 K 8.20 4.18 0.00 1.76 1.88 0.00 1.84 0.00 0.00 1.72 0.00 0.00 2.99 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.46 1.42 7.81 43 Q 8.23 3.65 0.00 2.36 2.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.86 6.73 0.00 0.00 0.00 0.00 0.00 2.28 2.48 0.00 44 L 7.76 5.27 0.00 1.60 1.57 0.95 0.75 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 45 V 8.70 4.79 2.28 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 1.17 0.00 0.00 0.99 0.00 0.00 46 D 9.49 5.50 0.00 2.72 2.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 V 8.94 5.02 2.34 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 1.12 0.00 0.00 1.16 0.00 0.00 48 Y 8.94 5.14 0.00 2.86 2.81 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 49 T 8.79 5.49 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 1.31 0.00 0.00 50 T 8.60 4.60 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 1.31 0.00 0.00 51 L 7.97 4.26 0.00 1.89 1.79 1.15 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 52 P 0.00 4.61 0.00 2.39 2.05 0.00 3.57 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.16 0.00 53 Y 8.68 3.25 0.00 2.49 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 54 D 8.34 4.34 0.00 2.96 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 55 F 8.18 4.10 0.00 3.11 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 56 I 7.75 3.53 2.00 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.44 0.89 0.00 0.00 57 L 7.72 3.34 0.00 1.25 1.59 0.92 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 58 E 7.91 3.83 0.00 1.85 1.82 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 2.39 2.43 0.00 59 K 7.36 3.68 0.00 1.57 1.63 0.00 1.47 0.00 0.00 1.37 0.00 0.00 2.35 0.00 0.00 2.66 0.00 0.00 0.00 0.00 0.81 1.08 7.81 60 I 7.33 3.65 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 1.27 0.47 0.73 0.00 0.00 61 K 7.97 3.80 0.00 1.68 1.81 0.00 1.62 0.00 0.00 1.80 0.00 0.00 2.91 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.40 1.53 7.81 62 K 7.55 4.26 0.00 1.71 1.77 0.00 1.61 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.41 1.49 7.81 63 T 7.91 4.06 4.19 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 1.21 0.00 0.00 64 G 7.90 3.92 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 0.00 0.00 0.00 65 K 7.49 4.12 0.00 1.75 1.86 0.00 1.71 0.00 0.00 1.61 0.00 0.00 2.73 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.44 1.50 7.81 66 E 8.70 4.05 0.00 2.05 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 2.31 0.00 67 V 8.28 4.47 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 1.05 0.00 0.00 0.86 0.00 0.00 68 R 9.59 4.34 0.00 1.73 1.99 0.00 3.43 0.00 0.00 3.29 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.74 0.00 69 S 7.90 4.68 0.00 3.86 3.94 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 70 G 8.80 4.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 K 8.77 4.53 0.00 1.63 1.75 0.00 1.21 0.00 0.00 1.50 0.00 0.00 2.73 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.19 1.26 7.81 72 Q 8.29 5.02 0.00 2.04 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.55 6.89 0.00 0.00 0.00 0.00 0.00 2.29 2.69 0.00 73 L 8.58 4.35 0.00 1.25 1.42 0.59 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00