NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.5031 8.2649 123.5727 52.1028 19.9820 175.4345 2 F 4.9336 8.7540 117.1415 55.6385 42.5053 173.4631 3 T 4.7401 9.4358 118.9688 62.0384 72.0583 172.2279 4 C 5.3647 8.6915 122.0096 55.4301 39.3046 173.0779 5 H 5.0216 8.9771 117.9143 54.1716 32.9542 171.9775 6 C 5.1707 8.8792 119.6836 56.8750 37.3804 173.3002 7 R 4.8605 9.1965 122.2429 54.5570 34.0525 176.8319 8 R 4.0572 8.8512 120.7669 58.7223 30.4548 177.6845 9 S 4.6371 7.6740 112.4915 56.5345 66.4634 174.5835 10 C 4.5228 8.7022 122.5324 56.8587 41.9033 173.2703 11 Y 4.6985 8.8325 120.9032 57.7083 38.0938 177.5939 12 S 4.2066 8.7139 116.5057 61.4574 63.0479 175.3411 13 T 4.3059 7.9871 108.4769 62.0132 69.1886 173.8444 14 E 4.9278 7.9878 121.7479 55.1106 32.2809 174.4527 15 Y 4.6432 8.9314 123.4125 55.9736 41.2231 174.7236 16 S 4.4121 7.9403 121.5889 57.3848 62.5387 173.6638 17 Y 5.0203 9.0797 132.4475 56.4945 37.3210 174.2192 18 G 3.9526 8.3862 108.1739 44.8861 0.0000 170.6046 19 T 5.0006 7.8781 108.0864 60.3510 70.8582 174.7734 20 C 4.9085 9.1817 123.9109 55.1763 46.7600 172.5622 21 T 4.8728 8.5496 122.9722 62.2527 69.4452 174.3246 22 V 4.1316 8.8473 127.7123 62.0260 32.8461 175.3783 23 M 3.2941 9.7499 127.9250 56.4943 29.4432 178.0741 24 G 3.9473 8.5267 104.5269 45.4678 0.0000 173.7905 25 I 4.3633 7.6853 121.7191 58.8245 39.0026 174.2259 26 N 4.7241 8.8637 124.1220 54.6352 39.3775 173.3290 27 H 5.0498 9.7233 122.9596 53.9059 33.3610 172.9777 28 R 4.7514 9.0811 118.5181 55.5668 32.1784 176.3430 29 F 5.1108 9.2646 125.8067 57.5432 40.4446 173.6266 30 C 5.2799 9.2522 125.3977 55.4922 38.9697 172.5976 31 C 5.6356 9.2219 121.8937 54.9766 38.3850 174.3323 32 L 4.4024 8.7524 121.2090 56.2349 40.3863 175.7778 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 A 8.26 4.50 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.75 4.93 0.00 2.85 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 3 T 9.44 4.74 4.26 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 1.17 0.00 0.00 4 C 8.69 5.36 0.00 2.23 1.65 0.00 0.00 0.00 0.00 0.00 0.00 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 H 8.98 5.02 0.00 2.85 3.05 0.00 5.80 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 C 8.88 5.17 0.00 2.88 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 R 9.20 4.86 0.00 1.65 1.79 0.00 2.90 0.00 0.00 2.83 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.62 0.00 8 R 8.85 4.06 0.00 1.78 1.95 0.00 3.09 0.00 0.00 3.14 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.50 0.00 9 S 7.67 4.64 0.00 3.83 3.75 0.00 0.00 0.00 0.00 0.00 0.00 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 8.70 4.52 0.00 2.95 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.83 4.70 0.00 2.93 2.77 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 12 S 8.71 4.21 0.00 4.00 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 13 T 7.99 4.31 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 1.25 0.00 0.00 14 E 7.99 4.93 0.00 2.04 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.26 0.00 15 Y 8.93 4.64 0.00 3.01 2.80 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 16 S 7.94 4.41 0.00 3.77 3.48 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 9.08 5.02 0.00 3.16 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 18 G 8.39 3.95 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 0.00 0.00 0.00 19 T 7.88 5.00 4.24 0.00 0.00 0.00 0.00 0.00 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 20 C 9.18 4.91 0.00 3.06 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 T 8.55 4.87 4.21 0.00 0.00 0.00 0.00 0.00 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 22 V 8.85 4.13 1.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 0.75 0.00 0.00 23 M 9.75 3.29 0.00 2.17 2.11 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.45 0.00 24 G 8.53 3.95 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 0.00 0.00 0.00 25 I 7.69 4.36 2.11 0.00 0.00 0.90 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 0.84 0.93 0.00 0.00 26 N 8.86 4.72 0.00 2.74 2.76 0.00 0.00 6.94 7.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 H 9.72 5.05 0.00 3.27 3.36 0.00 5.85 0.00 0.00 0.00 0.00 6.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 R 9.08 4.75 0.00 1.81 1.85 0.00 3.26 0.00 0.00 3.10 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.70 0.00 29 F 9.26 5.11 0.00 2.97 3.22 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 30 C 9.25 5.28 0.00 2.79 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 31 C 9.22 5.64 0.00 2.98 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 32 L 8.75 4.40 0.00 1.71 1.72 0.97 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00