NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 R 4.1588 8.2549 117.2803 57.0335 31.1543 174.5066 2 E 3.5239 8.5232 116.4430 57.2060 26.2622 174.1206 3 C 4.6756 9.2838 119.2805 56.3729 43.3576 174.6038 4 K 4.9238 8.6148 122.9349 56.0655 32.8371 176.5790 5 T 4.8397 9.0492 122.1342 61.8313 73.2778 173.4675 6 E 4.4526 8.8588 124.6939 56.1602 30.7310 176.5622 7 S 4.0993 8.9488 118.4398 58.2487 62.0702 173.9361 8 N 4.5868 8.9811 125.8118 55.8333 37.7298 176.6741 9 T 3.9408 7.9371 115.1513 66.0602 68.7592 174.0452 10 F 4.2051 7.9693 123.5632 57.9823 39.3126 173.4660 11 P 4.6083 0.0000 0.0000 61.3368 31.5803 175.4762 12 G 3.7698 6.7139 105.0148 47.3093 0.0000 172.0594 13 I 4.2282 8.0717 120.6180 60.4235 38.1884 177.2010 14 C 4.8234 9.1392 124.7423 57.0784 41.6101 172.9939 15 I 4.0730 8.3750 126.6187 62.9263 37.5577 176.5350 16 T 4.7438 7.4502 107.8809 58.7607 71.9706 174.5831 17 K 3.7504 8.7574 123.6446 59.1252 31.7849 177.0710 18 P 4.2311 0.0000 0.0000 65.5553 31.1300 176.6869 19 P 4.3790 0.0000 0.0000 65.6960 31.3481 179.2317 20 C 3.7405 7.7789 117.1307 59.4175 38.6820 175.0309 21 R 3.7524 8.5658 120.8139 59.8022 29.5126 178.5730 22 K 4.0365 8.0204 117.1522 59.7613 32.4696 178.9433 23 A 4.0172 7.7331 122.3111 55.3519 18.4530 178.9777 24 C 4.1389 8.1315 115.0436 59.8956 39.9927 176.4237 25 I 3.8533 7.4761 121.0505 64.3512 36.7813 178.2868 26 S 4.3141 8.2028 114.3529 61.5793 63.1704 174.9784 27 E 4.5415 7.9297 120.5111 54.6703 33.8465 177.1112 28 K 4.4308 8.9807 119.9958 55.6441 31.1926 176.2594 29 F 4.5798 7.9557 124.1143 57.0627 42.9361 174.9738 30 T 4.7548 9.0006 116.0978 63.8505 75.5348 173.5067 31 D 5.0569 7.6846 118.4044 52.5605 45.1162 174.1692 32 G 4.2158 8.1072 105.7525 46.1014 0.0000 172.3938 33 H 4.6333 7.8775 116.0225 55.0779 32.5758 171.4761 34 C 5.0653 8.6938 116.1876 56.1094 39.3543 174.1010 35 S 4.3817 8.8844 120.1997 57.3091 63.1024 175.1407 36 K 4.3920 8.3777 128.6816 57.1714 32.2877 177.3948 37 I 4.6054 7.6694 118.2229 63.5219 41.7548 175.7911 38 L 4.8575 7.1139 117.4642 54.1841 42.3131 178.8197 39 R 4.7430 8.4762 124.7103 56.5551 29.1445 172.6097 40 R 4.9275 7.7733 118.1590 54.2104 34.5333 177.7415 41 C 4.3505 8.5542 121.5079 56.6725 41.4706 172.4191 42 L 4.4235 9.2433 132.0437 54.1239 42.1522 174.8759 43 C 4.9152 8.5085 124.7504 56.0216 39.7867 172.8664 44 T 5.4407 9.0029 112.5008 59.8542 70.9885 173.0353 45 K 4.9334 9.0230 125.3478 53.4120 35.3132 175.2194 46 P 4.5668 0.0000 0.0000 62.6525 29.6755 175.1850 47 C 4.4192 7.7414 116.5965 56.3432 42.7189 174.1869 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 R 8.25 4.16 0.00 1.92 2.00 0.00 3.18 0.00 0.00 3.23 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.72 0.00 2 E 8.52 3.52 0.00 2.25 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 0.00 2.22 2.35 0.00 3 C 9.28 4.68 0.00 2.84 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 4 K 8.61 4.92 0.00 1.66 1.77 0.00 1.80 0.00 0.00 1.75 0.00 0.00 2.96 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.44 1.43 7.81 5 T 9.05 4.84 4.77 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 1.36 0.00 0.00 6 E 8.86 4.45 0.00 2.01 1.93 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 2.29 2.32 0.00 7 S 8.95 4.10 0.00 3.54 3.73 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.98 4.59 0.00 2.92 3.00 0.00 0.00 6.39 7.96 0.00 0.00 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 T 7.94 3.94 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 1.26 0.00 0.00 10 F 7.97 4.21 0.00 2.82 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 11 P 0.00 4.61 0.00 2.09 2.02 0.00 3.39 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.84 0.00 12 G 6.71 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 13 I 8.07 4.23 1.90 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.61 1.05 0.00 0.00 14 C 9.14 4.82 0.00 2.87 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 15 I 8.38 4.07 1.94 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.97 0.94 0.00 0.00 16 T 7.45 4.74 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 1.23 0.00 0.00 17 K 8.76 3.75 0.00 1.79 1.82 0.00 1.76 0.00 0.00 1.80 0.00 0.00 2.94 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.55 1.45 7.81 18 P 0.00 4.23 0.00 2.21 2.13 0.00 3.58 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.22 0.00 19 P 0.00 4.38 0.00 2.59 2.25 0.00 3.77 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.21 0.00 20 C 7.78 3.74 0.00 2.32 3.02 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.57 3.75 0.00 2.07 1.94 0.00 3.31 0.00 0.00 3.21 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.80 0.00 22 K 8.02 4.04 0.00 2.08 2.08 0.00 1.42 0.00 0.00 1.68 0.00 0.00 3.00 0.00 0.00 3.22 0.00 0.00 0.00 0.00 1.68 1.51 7.81 23 A 7.73 4.02 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 C 8.13 4.14 0.00 3.05 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 25 I 7.48 3.85 2.04 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.77 0.94 0.00 0.00 26 S 8.20 4.31 0.00 4.05 4.03 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 27 E 7.93 4.54 0.00 2.36 2.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.91 0.00 28 K 8.98 4.43 0.00 1.39 1.57 0.00 1.48 0.00 0.00 1.67 0.00 0.00 3.08 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.36 1.40 7.81 29 F 7.96 4.58 0.00 2.97 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 30 T 9.00 4.75 4.29 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 1.35 0.00 0.00 31 D 7.68 5.06 0.00 2.87 2.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 G 8.11 4.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 H 7.88 4.63 0.00 3.12 3.34 0.00 5.26 0.00 0.00 0.00 0.00 6.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 C 8.69 5.07 0.00 2.87 3.04 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 35 S 8.88 4.38 0.00 3.86 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 36 K 8.38 4.39 0.00 1.90 1.87 0.00 1.57 0.00 0.00 1.70 0.00 0.00 2.96 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.41 1.46 7.81 37 I 7.67 4.61 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.54 0.91 0.00 0.00 38 L 7.11 4.86 0.00 1.63 0.80 0.93 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 39 R 8.48 4.74 0.00 1.85 1.79 0.00 3.14 0.00 0.00 3.36 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.68 0.00 40 R 7.77 4.93 0.00 1.74 1.83 0.00 3.45 0.00 0.00 3.32 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.62 0.00 41 C 8.55 4.35 0.00 1.72 2.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 L 9.24 4.42 0.00 1.60 1.39 0.85 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 43 C 8.51 4.92 0.00 1.54 1.93 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 44 T 9.00 5.44 4.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 45 K 9.02 4.93 0.00 1.59 1.24 0.00 1.11 0.00 0.00 1.39 0.00 0.00 2.13 0.00 0.00 2.29 0.00 0.00 0.00 0.00 1.36 1.22 7.81 46 P 0.00 4.57 0.00 2.19 2.14 0.00 3.71 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.95 0.00 47 C 7.74 4.42 0.00 3.07 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