NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.2953 8.3044 120.3265 55.3998 32.5545 174.8564 2 D 4.9741 8.4195 124.7474 49.4835 39.9628 174.2640 3 P 4.4756 0.0000 0.0000 63.7151 32.7776 176.5458 4 N 4.7779 7.5320 114.4476 53.4414 41.2488 174.6493 5 C 4.6993 7.4309 112.5934 59.0428 34.7001 173.8680 6 S 4.8783 8.4561 125.2079 58.5114 63.7979 172.4746 7 C 4.8587 7.8328 120.2228 59.5182 30.1267 174.1347 8 A 3.7003 8.4412 118.5877 54.2970 15.4437 176.8773 8A A 4.1721 7.7132 121.7646 50.7583 20.6981 174.7003 9 A 3.4795 9.0682 123.4529 55.6146 16.7720 175.6994 10 G 4.3105 9.0947 112.9870 47.2148 0.0000 173.3070 11 D 4.4975 7.7353 117.7563 53.9051 41.4247 176.4394 12 S 4.5913 8.1697 117.1877 56.7290 62.9406 174.2053 13 C 4.3934 8.3509 120.1020 58.0474 30.2824 174.4344 14 T 4.4831 8.1351 112.0229 60.0794 67.6084 173.3877 15 C 4.8462 8.2561 127.7497 60.1398 29.5385 174.8213 16 A 4.5686 8.1134 123.5525 52.6064 20.2261 177.9517 17 N 4.5666 7.7246 112.4597 54.2992 39.5287 175.5744 18 S 4.3755 7.3924 117.0535 57.5532 66.2271 174.2476 19 C 4.3957 8.6279 126.3387 59.5830 32.1241 172.8650 20 T 4.4300 8.2094 112.3698 62.9353 70.5512 174.4946 21 C 4.4179 8.0545 116.9164 59.5302 28.4907 173.9232 22 K 4.1289 8.5154 123.1582 57.9120 32.8358 176.6299 23 A 4.6913 9.0291 120.9584 51.1476 18.9795 175.6366 24 C 4.3257 7.7665 121.8341 59.0527 32.8096 172.6910 25 K 4.5910 8.3208 124.1991 56.0169 33.0458 175.8945 26 C 4.4023 7.8065 115.4343 59.5920 28.5696 174.6195 27 T 4.0615 8.3702 112.0985 63.5848 68.5327 175.1865 28 S 4.4445 7.8241 117.1329 59.7042 63.4127 174.4804 29 C 4.5386 8.0190 118.3001 58.8305 30.0456 174.0786 30 K 4.1826 8.3550 122.7094 56.6411 32.3670 176.7367 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 M 8.30 4.30 0.00 2.02 2.13 0.00 0.00 0.00 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.54 0.00 2 D 8.42 4.97 0.00 2.82 2.57 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.48 0.00 2.22 2.06 0.00 3.76 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.98 0.00 4 N 7.53 4.78 0.00 2.73 2.89 0.00 0.00 6.36 7.66 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 5 C 7.43 4.70 0.00 2.90 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 6 S 8.46 4.88 0.00 3.88 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 7 C 7.83 4.86 0.00 2.94 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 8 A 8.44 3.70 1.28 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 0.00 0.00 8A A 7.71 4.17 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 9 A 9.07 3.48 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 10 G 9.09 4.31 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 0.00 11 D 7.74 4.50 0.00 2.66 2.63 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 12 S 8.17 4.59 0.00 3.82 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 13 C 8.35 4.39 0.00 3.08 2.93 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 14 T 8.14 4.48 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 8.26 4.85 0.00 2.93 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 16 A 8.11 4.57 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 17 N 7.72 4.57 0.00 2.72 2.81 0.00 0.00 6.72 7.57 0.00 0.00 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 S 7.39 4.38 0.00 3.81 3.74 0.00 0.00 0.00 0.00 0.00 0.00 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 C 8.63 4.40 0.00 2.93 2.83 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 0.00 0.00 0.00 20 T 8.21 4.43 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 1.25 0.00 0.00 21 C 8.05 4.42 0.00 2.91 3.26 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 0.00 22 K 8.52 4.13 0.00 1.69 1.82 0.00 1.62 0.00 0.00 1.71 0.00 0.00 3.13 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.39 1.49 7.81 23 A 9.03 4.69 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 C 7.77 4.33 0.00 2.94 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 25 K 8.32 4.59 0.00 1.70 1.70 0.00 1.83 0.00 0.00 1.70 0.00 0.00 2.96 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.30 1.41 7.81 26 C 7.81 4.40 0.00 3.03 2.83 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 0.00 0.00 0.00 27 T 8.37 4.06 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 28 S 7.82 4.44 0.00 3.88 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 29 C 8.02 4.54 0.00 2.91 2.83 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 0.00 0.00 0.00 30 K 8.36 4.18 0.00 1.83 1.76 0.00 1.62 0.00 0.00 1.74 0.00 0.00 2.81 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.31 1.34 7.81