NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 4.4610 8.3349 116.7977 61.1943 64.4675 173.3165 2 R 3.4811 6.8410 117.6208 53.4539 31.2599 170.9025 3 V 4.1434 7.4599 120.6995 63.1526 35.2511 170.2211 4 T 4.5822 7.5863 113.1389 59.3443 70.8202 175.4054 5 W 4.5141 9.0658 122.0485 60.1652 28.0809 177.5806 6 Y 3.8711 7.4597 118.3953 60.3498 38.2288 177.4376 7 D 4.2840 8.2388 118.3640 58.0002 41.0631 179.5160 8 F 3.3630 9.1449 113.5002 57.9403 40.8951 178.4425 9 L 3.4650 7.3412 117.3225 56.4714 42.4165 178.6576 10 M 3.8070 7.9100 116.2966 55.5360 30.7929 182.3366 11 E 2.8275 8.5045 122.3382 54.5985 31.3761 175.6730 12 D 4.7947 7.7305 125.8399 53.6305 40.4688 174.9377 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 S 8.33 4.46 0.00 3.90 3.97 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 2 R 6.84 3.48 0.00 1.90 1.84 0.00 3.29 0.00 0.00 3.19 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.68 0.00 3 V 7.46 4.14 2.12 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 0.80 0.00 0.00 1.08 0.00 0.00 4 T 7.59 4.58 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 5 W 9.07 4.51 0.00 3.45 3.34 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 6 Y 7.46 3.87 0.00 2.14 2.71 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 7 D 8.24 4.28 0.00 2.99 2.72 0.00 0.00 0.00 0.00 0.00 0.00 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 F 9.14 3.36 0.00 3.32 3.14 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 9 L 7.34 3.47 0.00 2.07 1.67 1.25 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 0.00 0.00 0.00 0.00 0.00 0.00 10 M 7.91 3.81 0.00 1.85 0.70 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.40 0.00 11 E 8.50 2.83 0.00 1.65 1.92 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 2.22 2.16 0.00 12 D 7.73 4.79 0.00 2.74 2.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00