NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 D 4.7132 8.1700 119.7091 53.0753 41.0942 175.7958 2 H 3.7846 8.7817 117.9562 58.6751 29.4767 174.8713 3 Y 3.8109 8.2494 121.0310 60.7906 39.2724 176.9503 4 N 4.3329 8.7811 117.9327 56.7766 39.0385 175.7901 5 C 4.1349 8.4584 120.1557 59.8096 43.7866 175.7594 6 V 3.5881 7.7342 119.8431 65.9696 30.9386 177.3982 7 S 4.2256 7.9055 110.1412 59.5837 62.3576 174.8216 8 S 4.6787 7.7560 115.4804 58.3777 63.1967 174.4942 9 G 3.7664 7.9361 110.0364 45.6657 0.0000 173.7401 10 G 4.0590 8.0613 107.7235 44.5626 0.0000 173.1494 11 Q 4.7270 8.7136 120.0445 54.2696 32.3189 173.4932 12 C 5.0135 8.7355 123.3872 56.1919 38.2521 173.0532 13 L 4.9137 8.7293 123.2808 53.4455 45.2966 177.3551 14 Y 4.3179 8.9811 120.3244 60.2497 38.4571 176.1528 15 S 4.5005 7.9284 113.1137 56.8913 64.7827 173.2621 16 A 4.1309 8.2849 122.7175 52.2489 18.5707 178.2576 17 C 4.3797 8.5601 119.0714 56.3481 37.8427 172.4214 18 P 4.5316 0.0000 0.0000 61.6691 31.9990 175.3665 19 I 3.4937 7.8930 118.9198 62.6881 38.0300 175.4923 20 F 4.1190 8.4348 123.9620 58.2002 35.9086 174.1254 21 T 5.1120 7.7654 109.9666 60.1307 72.1993 172.5752 22 K 4.6751 9.0797 120.3761 55.2810 36.6135 175.0280 23 I 4.2444 8.2035 121.3692 61.0947 38.5531 176.1766 24 Q 4.4037 8.9553 129.7550 53.9804 29.0812 174.0504 25 G 3.8012 8.6744 109.3976 44.0570 0.0000 169.6537 26 T 5.0487 7.9860 106.8021 60.0591 72.1294 172.9155 27 C 4.7372 8.0481 117.7696 56.0982 43.1544 173.0318 28 Y 3.7680 8.7221 116.2883 60.0361 34.0029 170.5298 29 R 3.6461 8.8804 111.6959 57.3559 28.2598 178.2534 30 G 3.9887 8.5219 104.0953 45.5660 0.0000 175.0465 31 K 4.2631 7.9005 118.0140 56.9226 32.9412 176.1369 32 A 4.6777 7.9400 120.2555 49.6934 22.6086 175.2396 33 K 4.6315 8.8011 118.6363 55.4568 34.6167 175.4079 34 C 4.8773 8.7662 124.1898 55.7703 45.9348 171.4902 35 C 5.4868 9.2269 124.7812 55.0625 39.9164 174.1501 36 K 4.1976 8.8417 124.0649 56.6687 32.3477 175.6659 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 D 8.17 4.71 0.00 2.88 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 2 H 8.78 3.78 0.00 3.27 3.46 0.00 5.68 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 Y 8.25 3.81 0.00 3.16 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 4 N 8.78 4.33 0.00 2.98 2.99 0.00 0.00 6.94 7.17 0.00 0.00 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 8.46 4.13 0.00 3.00 3.09 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.73 3.59 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.00 0.00 0.73 0.00 0.00 7 S 7.91 4.23 0.00 3.53 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 8 S 7.76 4.68 0.00 4.04 3.84 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 9 G 7.94 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.06 4.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.71 4.73 0.00 2.08 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.04 6.87 0.00 0.00 0.00 0.00 0.00 2.23 2.31 0.00 12 C 8.74 5.01 0.00 2.74 2.34 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 13 L 8.73 4.91 0.00 1.50 1.51 0.96 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 14 Y 8.98 4.32 0.00 2.99 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 15 S 7.93 4.50 0.00 4.01 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 16 A 8.28 4.13 1.26 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 0.00 0.00 17 C 8.56 4.38 0.00 2.96 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 18 P 0.00 4.53 0.00 2.23 2.19 0.00 3.71 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 1.96 0.00 19 I 7.89 3.49 1.63 0.00 0.00 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.66 -0.36 0.81 0.00 0.00 20 F 8.43 4.12 0.00 3.29 3.12 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 21 T 7.77 5.11 4.44 0.00 0.00 0.00 0.00 0.00 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 22 K 9.08 4.68 0.00 1.71 1.90 0.00 1.33 0.00 0.00 1.58 0.00 0.00 2.81 0.00 0.00 3.28 0.00 0.00 0.00 0.00 1.31 1.53 7.81 23 I 8.20 4.24 1.85 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 1.00 0.90 0.00 0.00 24 Q 8.96 4.40 0.00 2.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 5.11 0.00 0.00 0.00 0.00 0.00 2.25 2.30 0.00 25 G 8.67 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.99 5.05 4.30 0.00 0.00 0.00 0.00 0.00 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 27 C 8.05 4.74 0.00 1.90 2.04 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.72 3.77 0.00 3.09 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 29 R 8.88 3.65 0.00 2.02 2.05 0.00 3.45 0.00 0.00 3.28 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.60 0.00 30 G 8.52 3.99 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 0.00 0.00 0.00 0.00 0.00 0.00 31 K 7.90 4.26 0.00 2.08 2.12 0.00 1.76 0.00 0.00 1.78 0.00 0.00 2.86 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.68 1.65 7.81 32 A 7.94 4.68 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 K 8.80 4.63 0.00 1.69 1.67 0.00 1.78 0.00 0.00 1.56 0.00 0.00 2.81 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.37 1.34 7.81 34 C 8.77 4.88 0.00 2.88 3.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 C 9.23 5.49 0.00 2.83 2.94 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 36 K 8.84 4.20 0.00 1.75 1.54 0.00 1.74 0.00 0.00 1.84 0.00 0.00 2.86 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.31 1.43 7.81