NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4732 8.3044 120.3296 55.0207 33.5578 174.8916 2 S 4.0322 8.7301 113.7148 60.1734 62.5023 172.3683 3 D 4.8714 8.3480 120.6371 51.8288 41.4514 174.0196 4 D 4.3743 8.3054 122.6196 54.9211 41.6041 176.0639 5 K 3.4651 7.9174 119.3656 55.5889 29.4874 170.8497 6 P 4.1428 0.0000 0.0000 62.6320 31.6442 177.4836 7 F 4.4435 8.6351 123.0042 56.5142 39.0966 174.3470 8 L 4.6205 8.3117 124.0245 53.4896 42.4381 176.4891 9 C 4.3812 9.3693 126.5357 59.8592 32.7785 173.1485 10 T 4.3761 8.5618 117.0882 60.1585 67.1588 172.9974 11 A 4.6659 7.8409 131.2204 49.9849 22.8369 174.0292 12 P 4.3515 0.0000 0.0000 63.7839 31.8989 177.1257 13 G 4.1225 8.9881 115.2280 46.2452 0.0000 174.1297 14 C 3.9956 8.3083 119.5942 61.3187 32.4380 174.2905 15 G 4.1412 7.7916 106.9823 46.2831 0.0000 172.3987 16 Q 4.3429 7.5443 120.9788 55.4952 31.2345 176.5576 17 R 5.3552 7.6757 119.2288 53.7993 32.7966 174.0047 18 F 5.0726 8.6895 121.7496 56.0831 43.5277 175.6456 19 T 4.2621 8.9600 109.8392 63.7434 69.2360 174.8327 20 N 4.7120 7.6568 117.7315 50.2740 43.8611 174.5677 21 E 3.0448 7.2399 120.8918 58.2458 29.5164 178.1601 22 D 4.1300 7.5184 118.0632 57.9140 41.3857 177.8958 23 H 4.0839 7.5349 115.9593 58.4901 28.6844 177.4563 24 L 3.3737 6.9325 121.7355 57.5492 41.8075 178.6895 25 A 3.8764 8.0328 121.2784 55.3859 18.2491 180.0087 26 V 3.6027 7.4436 110.5333 64.6048 31.0559 178.4697 27 H 4.0516 7.9007 117.7559 59.2848 29.7027 177.6125 28 K 4.0691 8.4460 120.7695 59.4326 31.7857 178.6495 29 H 4.0893 8.6117 119.3777 59.3805 29.5068 177.4150 30 K 3.8830 7.5385 118.9459 59.9961 32.5119 178.6978 31 H 4.3697 7.4644 115.6522 58.7356 28.7608 177.3940 32 E 4.0969 8.2785 119.1102 59.2711 30.9241 178.8480 33 M 4.3135 8.0180 120.3248 54.3929 28.5904 177.4867 34 T 3.9763 7.5283 113.5603 64.2930 68.3398 174.6654 35 L 4.1259 7.7032 119.8536 57.0929 40.9036 177.2414 36 K 3.5379 7.5839 121.5853 57.7282 32.6945 176.0597 37 F 4.0007 8.1999 122.2546 57.9611 36.0536 175.5091 38 G 3.8089 7.8552 112.9995 46.5170 0.0000 173.3237 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 4.47 0.00 2.04 2.13 0.00 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.51 0.00 2 S 8.73 4.03 0.00 3.91 3.89 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 3 D 8.35 4.87 0.00 2.60 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 4 D 8.31 4.37 0.00 2.70 2.74 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 5 K 7.92 3.47 0.00 1.70 1.46 0.00 1.68 0.00 0.00 1.61 0.00 0.00 2.91 0.00 0.00 2.90 0.00 0.00 0.00 0.00 0.57 0.97 7.81 6 P 0.00 4.14 0.00 2.18 2.06 0.00 3.68 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.95 0.00 7 F 8.64 4.44 0.00 3.38 3.18 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 0.00 0.00 0.00 8 L 8.31 4.62 0.00 1.57 1.67 0.92 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 9 C 9.37 4.38 0.00 3.33 3.24 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 10 T 8.56 4.38 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 1.25 0.00 0.00 11 A 7.84 4.67 1.15 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 0.00 0.00 12 P 0.00 4.35 0.00 2.22 2.21 0.00 3.73 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 1.95 0.00 13 G 8.99 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 0.00 0.00 0.00 14 C 8.31 4.00 0.00 2.93 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 15 G 7.79 4.14 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 Q 7.54 4.34 0.00 2.08 1.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.88 0.00 0.00 0.00 0.00 0.00 2.37 2.54 0.00 17 R 7.68 5.36 0.00 1.72 1.62 0.00 3.13 0.00 0.00 2.25 7.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.41 0.00 18 F 8.69 5.07 0.00 3.16 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 19 T 8.96 4.26 4.35 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 1.29 0.00 0.00 20 N 7.66 4.71 0.00 2.22 2.39 0.00 0.00 6.59 7.70 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 21 E 7.24 3.04 0.00 1.40 1.64 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 2.31 2.34 0.00 22 D 7.52 4.13 0.00 2.66 2.36 0.00 0.00 0.00 0.00 0.00 0.00 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 H 7.53 4.08 0.00 2.87 3.08 0.00 5.67 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 L 6.93 3.37 0.00 1.69 1.79 1.26 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 25 A 8.03 3.88 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.44 3.60 2.05 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 1.04 0.00 0.00 0.89 0.00 0.00 27 H 7.90 4.05 0.00 3.03 3.25 0.00 5.78 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 K 8.45 4.07 0.00 1.99 2.02 0.00 1.81 0.00 0.00 1.62 0.00 0.00 2.96 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.55 1.58 7.81 29 H 8.61 4.09 0.00 3.25 3.47 0.00 5.78 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 K 7.54 3.88 0.00 1.86 1.89 0.00 1.56 0.00 0.00 1.68 0.00 0.00 3.07 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.59 1.22 7.81 31 H 7.46 4.37 0.00 3.34 3.35 0.00 5.66 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 E 8.28 4.10 0.00 1.96 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 2.35 2.45 0.00 33 M 8.02 4.31 0.00 1.83 1.84 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.63 0.00 34 T 7.53 3.98 4.38 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 1.20 0.00 0.00 35 L 7.70 4.13 0.00 1.74 1.75 0.86 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 36 K 7.58 3.54 0.00 1.49 1.37 0.00 1.35 0.00 0.00 0.96 0.00 0.00 2.64 0.00 0.00 2.76 0.00 0.00 0.00 0.00 0.30 0.72 7.81 37 F 8.20 4.00 0.00 3.28 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 38 G 7.86 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