NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 R 4.1832 8.2549 119.6878 54.9011 31.8570 175.0942 2 P 4.0284 0.0000 0.0000 62.1901 31.8432 176.3303 3 D 4.3849 8.3998 121.6922 57.0815 41.7941 178.6116 4 F 4.3285 7.9426 114.6616 59.7223 37.5328 177.7939 5 C 4.7044 7.5227 116.0723 59.1132 40.0376 174.6792 6 L 4.3445 7.8847 118.9428 54.0186 42.0741 176.4672 7 E 4.3581 7.4923 119.3887 54.6525 30.3489 174.9650 8 P 4.3773 0.0000 0.0000 61.5748 32.0673 174.4263 9 P 3.5794 0.0000 0.0000 62.7674 31.3400 175.1430 10 Y 4.6647 7.8337 121.1337 56.1188 40.5820 175.3946 11 T 4.0432 8.3535 125.0906 65.2415 68.8722 176.0206 12 G 3.6626 6.8481 104.9441 44.0314 0.0000 171.1618 13 P 4.3636 0.0000 0.0000 64.3216 31.9654 177.6240 14 C 4.4771 7.9135 117.1115 56.9438 40.7577 173.3937 15 G 3.8496 8.2812 109.0838 45.6872 0.0000 173.8819 16 A 4.2773 7.7783 122.6149 50.5631 20.7749 177.8082 17 R 4.6842 8.0077 117.6965 54.4896 29.4480 173.1214 18 I 4.3854 8.2516 122.1935 59.1323 39.6819 175.5473 19 I 4.1617 8.2876 128.5902 61.3663 37.7264 175.4879 20 R 4.8589 8.3942 124.7967 54.7938 35.2302 173.3772 21 Y 5.6497 9.5668 117.6597 56.5446 41.3217 175.3339 22 F 5.7486 9.5432 116.9854 55.4204 41.8482 172.8287 23 Y 4.4766 10.0107 122.6725 57.1878 40.2301 173.6597 24 N 4.7780 8.0061 126.0798 51.5804 39.4875 174.8794 25 A 3.8056 8.4711 130.2275 54.9470 18.8649 178.8542 26 K 4.0305 7.9750 114.1353 58.9996 32.1709 177.9971 27 A 4.2042 7.9667 119.5923 51.9196 19.6026 177.9748 28 G 3.9442 8.9647 103.6061 44.9651 0.0000 172.4883 29 L 4.7740 6.8177 118.6977 54.4486 44.3770 174.9932 30 C 4.9869 8.6354 116.3508 56.3496 40.2492 173.3820 31 Q 4.9008 8.5953 121.1286 54.1389 32.8739 174.6937 32 T 4.8666 8.4715 110.8077 61.5311 70.6418 173.5190 33 F 4.9938 8.8889 116.9229 56.1335 42.1065 172.7535 34 V 4.4292 8.3808 119.4381 61.6838 32.5907 174.0639 35 Y 4.7546 8.8508 130.0863 56.1172 40.2813 176.4549 36 G 3.7703 8.1648 113.4180 46.2586 0.0000 175.0250 37 G 3.7573 6.2109 107.3449 45.2862 0.0000 172.5273 38 C 5.0260 6.7275 111.4161 54.1126 44.6615 173.1635 39 R 3.8513 8.8802 116.4684 56.9674 27.1097 176.8052 40 A 4.2083 8.4227 119.2352 52.5899 18.9000 178.5394 41 K 4.3251 8.3197 121.0924 55.0250 33.7259 177.3915 42 R 3.4716 7.9931 118.0825 58.8338 30.3660 177.6103 43 N 4.8327 7.7321 118.0564 51.4144 37.4451 174.2998 44 N 5.1153 6.6605 116.5700 52.8063 41.6114 173.0858 45 F 5.0389 9.6122 124.7955 55.6458 42.4799 176.4716 46 K 4.5484 8.8476 121.5589 58.0314 32.7735 177.8270 47 S 4.4341 7.7602 112.9224 55.4462 67.2357 174.5902 48 A 3.3749 7.2634 124.9486 54.8882 18.0205 179.7599 49 E 3.7216 7.7906 117.3240 59.5733 29.8522 178.5914 50 D 4.2721 7.9404 118.7917 57.4295 40.8661 178.0538 51 C 2.4500 7.6240 118.6344 59.1026 44.7897 175.6972 52 L 3.8184 7.9921 120.9101 57.7864 40.9256 179.7671 53 R 3.8653 7.9341 117.3129 58.8165 29.9810 178.3860 54 T 4.3055 7.1939 113.9324 64.6053 69.4838 174.8433 55 C 4.4936 8.2127 115.9231 55.6952 42.0543 174.0261 56 G 3.7306 7.4065 109.4058 47.4311 0.0000 174.1081 57 G 3.8560 8.9022 112.4533 45.0117 0.0000 173.0571 58 A 4.0593 7.2969 127.3954 52.4022 18.2420 177.3535 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 1 R 8.25 4.18 0.00 1.66 1.69 0.00 3.34 0.00 0.00 3.09 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.60 0.00 2 P 0.00 4.03 0.00 0.69 1.56 0.00 3.24 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 1.87 2.02 0.00 3 D 8.40 4.38 0.00 2.69 2.73 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 4 F 7.94 4.33 0.00 3.21 3.35 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 5 C 7.52 4.70 0.00 2.99 3.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 L 7.88 4.34 0.00 1.73 1.76 0.94 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 7 E 7.49 4.36 0.00 2.21 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 2.41 2.45 0.00 8 P 0.00 4.38 0.00 2.08 2.01 0.00 3.78 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 1.97 1.94 0.00 9 P 0.00 3.58 0.00 0.71 0.49 0.00 3.26 0.00 0.00 2.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.52 0.00 10 Y 7.83 4.66 0.00 2.78 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 11 T 8.35 4.04 4.11 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 0.00 0.00 0.00 1.18 0.00 0.00 12 G 6.85 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.36 0.00 2.18 2.19 0.00 3.77 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.02 0.00 14 C 7.91 4.48 0.00 2.80 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 15 G 8.28 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 16 A 7.78 4.28 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 17 R 8.01 4.68 0.00 1.72 1.75 0.00 3.19 0.00 0.00 3.19 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.57 0.00 18 I 8.25 4.39 2.00 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.62 0.97 0.00 0.00 19 I 8.29 4.16 1.81 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 1.26 0.40 0.68 0.00 0.00 20 R 8.39 4.86 0.00 0.83 1.93 0.00 3.44 0.00 0.00 3.20 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.53 0.00 21 Y 9.57 5.65 0.00 3.16 3.03 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 0.00 0.00 0.00 22 F 9.54 5.75 0.00 3.09 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 23 Y 10.01 4.48 0.00 3.08 3.03 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 0.00 0.00 0.00 24 N 8.01 4.78 0.00 2.36 2.42 0.00 0.00 6.71 8.51 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 25 A 8.47 3.81 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 26 K 7.97 4.03 0.00 1.91 1.87 0.00 1.71 0.00 0.00 1.71 0.00 0.00 3.00 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.47 1.39 7.81 27 A 7.97 4.20 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 28 G 8.96 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 0.00 0.00 0.00 29 L 6.82 4.77 0.00 1.70 1.73 0.81 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 30 C 8.64 4.99 0.00 2.90 3.15 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 0.00 0.00 0.00 0.00 31 Q 8.60 4.90 0.00 1.38 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.87 0.00 0.00 0.00 0.00 0.00 2.16 1.96 0.00 32 T 8.47 4.87 4.05 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 0.00 0.00 0.81 0.00 0.00 33 F 8.89 4.99 0.00 3.02 3.15 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 0.00 0.00 0.00 0.00 34 V 8.38 4.43 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 0.70 0.00 0.00 0.90 0.00 0.00 35 Y 8.85 4.75 0.00 2.51 2.70 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 36 G 8.16 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 0.00 0.00 0.00 37 G 6.21 3.76 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 38 C 6.73 5.03 0.00 3.05 2.97 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 0.00 0.00 0.00 39 R 8.88 3.85 0.00 2.26 2.25 0.00 3.28 0.00 0.00 3.34 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.69 0.00 40 A 8.42 4.21 0.94 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 0.00 0.00 41 K 8.32 4.33 0.00 1.73 1.67 0.00 1.60 0.00 0.00 1.52 0.00 0.00 2.13 0.00 0.00 2.67 0.00 0.00 0.00 0.00 1.10 1.06 7.81 42 R 7.99 3.47 0.00 0.85 0.66 0.00 2.57 0.00 0.00 2.91 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 1.25 0.00 43 N 7.73 4.83 0.00 3.22 2.89 0.00 0.00 6.69 7.79 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 44 N 6.66 5.12 0.00 2.68 2.57 0.00 0.00 7.08 7.02 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 45 F 9.61 5.04 0.00 3.28 2.99 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 46 K 8.85 4.55 0.00 1.84 1.95 0.00 1.77 0.00 0.00 1.81 0.00 0.00 3.00 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.49 1.48 7.81 47 S 7.76 4.43 0.00 3.84 3.88 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 48 A 7.26 3.37 0.93 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 0.00 0.00 0.00 0.00 0.00 49 E 7.79 3.72 0.00 1.94 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 2.31 2.34 0.00 50 D 7.94 4.27 0.00 2.97 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 51 C 7.62 2.45 0.00 2.68 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 52 L 7.99 3.82 0.00 1.57 1.61 0.86 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 53 R 7.93 3.87 0.00 1.83 1.94 0.00 3.11 0.00 0.00 3.19 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.74 0.00 54 T 7.19 4.31 4.15 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 0.00 0.00 0.00 1.60 0.00 0.00 55 C 8.21 4.49 0.00 2.69 2.27 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 56 G 7.41 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 57 G 8.90 3.86 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 0.00 0.00 0.00 0.00 0.00 0.00 58 A 7.30 4.06 1.13 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 0.00 0.00 0.00 0.00 0.00