NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 C 4.9781 8.4544 118.1692 56.9880 39.7783 172.3236 3 R 4.6394 9.0652 124.3029 53.8245 34.1374 171.6420 4 R 5.0721 8.6872 121.9927 54.6057 32.8091 174.2355 5 L 4.7823 9.0109 125.8417 53.5955 46.1345 174.0923 6 C 5.2257 8.5749 120.0926 55.5881 44.2629 174.3097 7 Y 3.8802 8.9453 125.4346 58.0540 36.7864 175.6254 8 K 4.4708 7.6639 120.4466 56.2979 30.4171 173.9885 9 Q 4.4617 7.7705 129.6685 56.4544 33.4427 173.8567 10 R 4.6115 7.7393 118.1588 55.5948 32.4503 174.3607 11 C 5.3636 8.4381 118.7205 55.7646 41.8323 173.8564 12 V 4.5653 9.2001 116.2055 60.5673 36.4733 173.7375 13 T 5.1388 8.5870 116.9054 62.3549 71.2936 173.9856 14 Y 4.7859 9.2563 122.4957 56.5622 41.1191 174.1321 15 C 5.1807 8.8234 121.9322 55.0190 42.6185 173.8299 16 R 4.3093 8.4413 124.9655 55.8048 30.9268 174.3096 17 G 3.9963 8.1650 108.0773 43.9680 0.0000 174.3213 18 R 4.1639 8.1599 114.7280 56.2044 29.6646 175.1452 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 C 8.45 4.98 0.00 3.00 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 3 R 9.07 4.64 0.00 1.87 1.75 0.00 3.05 0.00 0.00 3.14 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.65 0.00 4 R 8.69 5.07 0.00 1.84 1.76 0.00 3.23 0.00 0.00 3.15 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.64 0.00 5 L 9.01 4.78 0.00 1.34 0.90 0.71 -0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 6 C 8.57 5.23 0.00 2.80 3.05 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 0.00 7 Y 8.95 3.88 0.00 2.97 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 8 K 7.66 4.47 0.00 1.80 2.06 0.00 1.75 0.00 0.00 1.55 0.00 0.00 2.93 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.20 1.10 7.81 9 Q 7.77 4.46 0.00 2.00 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.93 0.00 0.00 0.00 0.00 0.00 2.15 2.23 0.00 10 R 7.74 4.61 0.00 1.95 1.85 0.00 3.10 0.00 0.00 3.21 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.65 0.00 11 C 8.44 5.36 0.00 2.84 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 12 V 9.20 4.57 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.71 0.00 0.00 1.01 0.00 0.00 13 T 8.59 5.14 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 1.30 0.00 0.00 14 Y 9.26 4.79 0.00 2.77 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 15 C 8.82 5.18 0.00 2.91 2.98 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.44 4.31 0.00 1.79 1.82 0.00 3.24 0.00 0.00 3.24 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.60 0.00 17 G 8.17 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.16 4.16 0.00 1.85 1.82 0.00 3.06 0.00 0.00 3.26 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.58 0.00