NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 T 4.4192 8.0333 110.9283 61.1917 69.0646 173.9721 3 Q 4.0074 8.7371 128.9240 56.6791 28.9755 173.4708 4 C 5.0873 8.2131 111.8958 53.7547 45.8765 173.2922 5 Q 4.2350 9.4318 119.4791 57.8008 29.5023 176.2274 6 S 4.6356 7.9372 111.2044 55.9861 67.0860 175.4598 7 V 3.6048 8.8249 122.0889 65.8045 30.5692 178.9374 8 R 3.9962 7.5696 119.9139 59.8938 30.4689 177.5514 9 D 4.3473 8.4355 119.1259 57.6961 40.8052 178.1622 10 C 4.4600 8.1849 118.3496 59.6608 41.9285 175.3302 11 Q 4.0589 8.5259 120.6433 58.9373 28.0418 178.7806 12 Q 4.1387 7.8649 117.4890 59.3561 28.8001 177.5783 13 Y 4.3505 7.7402 120.3753 59.3309 39.2872 175.4299 14 C 4.9357 8.1445 115.4678 54.9576 44.5870 174.1179 15 L 4.1185 8.7553 124.0121 57.7052 41.7059 177.8207 16 T 4.5773 7.4449 115.3535 60.3905 68.7787 171.2270 17 P 4.6220 0.0000 0.0000 63.1533 32.2612 176.2681 18 D 4.7476 9.1654 121.0369 55.6940 41.3461 176.2710 19 R 4.6824 7.5564 113.1045 54.9715 32.9434 173.9242 20 C 4.8846 8.8757 121.9812 56.9266 44.9755 172.6776 21 S 4.7404 9.0421 121.0098 58.6570 66.8593 173.9715 22 Y 3.7860 9.5640 120.4864 58.8280 37.1111 170.4045 23 G 4.0149 8.2734 101.8306 45.5593 0.0000 173.9746 24 T 4.6326 8.2802 115.9443 62.0612 71.8145 170.9389 25 C 4.8967 8.6797 122.6414 55.2516 39.3487 172.9717 26 Y 4.4587 9.3968 123.9190 58.2720 38.5870 174.5447 27 C 5.3416 8.8182 120.9613 55.1306 42.3652 174.1357 28 K 3.9700 8.9528 124.6815 59.7040 32.5893 177.4984 29 T 4.6158 7.7549 115.8332 62.8069 70.2571 173.5697 30 T 4.1516 7.9701 121.4393 63.8359 69.4752 173.8898 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 T 8.03 4.42 4.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 3 Q 8.74 4.01 0.00 2.02 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.89 6.60 0.00 0.00 0.00 0.00 0.00 2.29 2.42 0.00 4 C 8.21 5.09 0.00 3.33 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 5 Q 9.43 4.23 0.00 2.13 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.66 0.00 0.00 0.00 0.00 0.00 2.31 2.29 0.00 6 S 7.94 4.64 0.00 3.85 3.72 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 7 V 8.82 3.60 2.11 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 0.98 0.00 0.00 0.96 0.00 0.00 8 R 7.57 4.00 0.00 1.89 1.96 0.00 3.39 0.00 0.00 3.30 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.59 0.00 9 D 8.44 4.35 0.00 2.85 2.66 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 10 C 8.18 4.46 0.00 3.05 3.16 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.53 4.06 0.00 2.30 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.60 0.00 0.00 0.00 0.00 0.00 2.41 2.57 0.00 12 Q 7.86 4.14 0.00 2.27 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 6.99 0.00 0.00 0.00 0.00 0.00 2.67 2.50 0.00 13 Y 7.74 4.35 0.00 3.02 3.23 0.00 0.00 0.00 0.00 0.00 0.00 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 8.14 4.94 0.00 3.17 2.95 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.76 4.12 0.00 1.63 1.73 0.92 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 16 T 7.44 4.58 4.25 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 1.22 0.00 0.00 17 P 0.00 4.62 0.00 2.14 2.15 0.00 3.86 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.17 0.00 18 D 9.17 4.75 0.00 2.77 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 19 R 7.56 4.68 0.00 1.92 1.94 0.00 2.86 0.00 0.00 3.02 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.45 0.00 20 C 8.88 4.88 0.00 3.11 3.13 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 21 S 9.04 4.74 0.00 3.92 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 22 Y 9.56 3.79 0.00 3.21 3.11 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 0.00 23 G 8.27 4.01 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 0.00 0.00 0.00 24 T 8.28 4.63 4.10 0.00 0.00 0.00 0.00 0.00 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 25 C 8.68 4.90 0.00 3.00 3.08 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 9.40 4.46 0.00 3.10 2.86 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 27 C 8.82 5.34 0.00 2.90 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 28 K 8.95 3.97 0.00 1.97 1.90 0.00 1.81 0.00 0.00 1.70 0.00 0.00 3.09 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.46 1.59 7.81 29 T 7.75 4.62 4.25 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 1.21 0.00 0.00 30 T 7.97 4.15 4.25 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 1.13 0.00 0.00