NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.9577 8.3393 109.7347 45.1448 0.0000 174.3287 2 S 4.3678 8.3643 119.5113 56.7234 65.3775 170.7736 3 A 4.6215 8.7633 123.5853 50.9965 21.7073 178.5144 4 S 3.8127 8.6132 114.3348 59.9061 63.0647 176.1785 5 C 3.8999 8.8787 119.3046 57.8491 42.4429 171.1534 6 G 3.8962 6.9296 100.7128 43.7459 0.0000 173.9602 7 V 4.2587 7.5146 110.2702 59.0588 35.5988 175.1427 8 W 4.2980 8.3308 121.2791 57.0448 30.0717 175.4012 9 D 4.9797 7.7859 120.3247 53.0160 43.1590 175.6161 10 E 4.2537 8.6513 116.6801 56.3544 30.1355 177.3149 11 W 4.4444 8.8236 122.3621 57.0680 30.2212 175.5172 12 S 5.0207 8.7035 117.9058 56.1077 64.6588 172.6817 13 P 4.5076 0.0000 0.0000 62.8242 31.7707 176.8541 14 C 4.6791 8.6660 120.9662 56.2297 44.2510 174.7958 15 S 3.9779 8.7532 120.4141 60.5797 62.5140 175.2863 16 V 4.2718 7.4701 111.6736 60.1207 33.1773 175.3650 17 T 3.9678 7.5800 112.9599 62.6049 66.2065 170.0851 18 C 5.3247 7.6928 111.2171 52.7900 43.8746 173.5968 19 G 3.3703 8.0824 109.3167 45.6001 0.0000 174.0075 20 K 4.4814 7.8934 119.1645 56.1240 32.8219 176.0529 21 G 4.2591 7.6007 106.4738 45.7223 0.0000 172.1605 22 T 5.3760 8.5535 109.1312 59.7671 72.4838 173.2008 23 R 5.2270 8.8004 118.4601 54.6269 33.5436 173.9657 24 S 5.5350 8.8439 112.8753 56.6088 67.1123 172.4366 25 R 4.8107 8.0005 114.7300 55.2453 32.7565 173.6422 26 K 5.3855 8.5676 118.5999 55.0647 36.1512 174.9414 27 R 4.5732 8.3467 116.3608 55.4605 32.6381 175.7557 28 E 4.2686 8.3742 120.9999 53.9794 28.1176 175.1453 29 I 3.7338 7.6710 114.3677 61.0979 38.0180 177.4518 30 L 4.0329 8.4097 124.1912 57.2057 42.0488 176.7278 31 H 4.9811 7.6028 114.2611 53.6861 32.6966 173.8225 32 E 4.1475 8.9109 118.6629 58.0640 29.6600 177.5529 33 G 4.1985 7.4315 108.3162 45.5619 0.0000 172.7056 34 C 5.0744 7.8378 115.0460 54.4998 44.1273 174.3416 35 T 4.2010 8.4826 119.4662 63.9688 68.8209 174.5310 36 S 4.6546 8.6674 118.3928 57.9490 64.9075 172.8450 37 E 5.5340 8.2398 120.7233 55.4320 32.5402 173.6250 38 I 4.8142 8.2328 118.8985 59.7308 41.8277 173.4467 39 Q 5.1020 8.3839 119.6759 54.8370 32.9661 173.9947 40 E 4.7122 8.7229 117.3995 54.9720 33.5510 174.0878 41 Q 4.4695 8.4783 122.4147 56.4102 29.7244 174.9272 42 C 4.4173 8.6315 121.5734 54.7550 43.4167 173.1120 43 E 4.5056 8.1548 114.8946 56.0646 29.6630 176.2436 44 E 4.2515 7.9111 119.1518 56.2234 30.3204 175.0371 45 E 4.6337 7.7689 117.8782 55.3913 34.1667 175.2042 46 R 3.9031 8.5204 115.8408 57.6372 26.9050 177.4401 47 C 4.4779 7.7286 114.4797 56.0764 41.3996 172.6466 48 P 4.5551 0.0000 0.0000 61.5061 31.8785 174.7414 49 P 4.3900 0.0000 0.0000 63.2620 31.2217 176.4628 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 G 8.34 3.96 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2 S 8.36 4.37 0.00 4.01 3.79 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.76 4.62 1.23 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 0.00 0.00 4 S 8.61 3.81 0.00 3.89 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 5 C 8.88 3.90 0.00 3.03 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 6 G 6.93 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 V 7.51 4.26 2.06 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 0.83 0.00 0.00 0.88 0.00 0.00 8 W 8.33 4.30 0.00 3.04 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 9 D 7.79 4.98 0.00 2.75 2.59 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.65 4.25 0.00 1.92 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 2.36 2.37 0.00 11 W 8.82 4.44 0.00 3.15 3.10 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 0.00 12 S 8.70 5.02 0.00 3.91 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 13 P 0.00 4.51 0.00 2.08 2.07 0.00 3.81 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.99 0.00 14 C 8.67 4.68 0.00 2.93 2.96 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 0.00 0.00 0.00 0.00 15 S 8.75 3.98 0.00 4.00 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 16 V 7.47 4.27 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.00 0.00 0.92 0.00 0.00 17 T 7.58 3.97 4.23 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 1.20 0.00 0.00 18 C 7.69 5.32 0.00 2.91 3.21 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 0.00 19 G 8.08 3.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 K 7.89 4.48 0.00 1.73 1.81 0.00 1.73 0.00 0.00 1.69 0.00 0.00 3.03 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.37 1.40 7.81 21 G 7.60 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 0.00 0.00 0.00 0.00 22 T 8.55 5.38 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 1.22 0.00 0.00 23 R 8.80 5.23 0.00 2.09 1.96 0.00 2.22 0.00 0.00 2.85 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 1.06 0.00 24 S 8.84 5.54 0.00 3.98 4.02 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 25 R 8.00 4.81 0.00 1.58 1.53 0.00 2.38 0.00 0.00 2.25 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.71 0.00 26 K 8.57 5.39 0.00 1.73 1.76 0.00 1.69 0.00 0.00 1.89 0.00 0.00 2.91 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.46 1.43 7.81 27 R 8.35 4.57 0.00 1.55 1.46 0.00 2.21 0.00 0.00 2.25 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.67 1.09 0.00 28 E 8.37 4.27 0.00 1.88 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.23 0.00 29 I 7.67 3.73 1.93 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.45 0.80 0.00 0.00 30 L 8.41 4.03 0.00 1.53 1.54 0.85 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 31 H 7.60 4.98 0.00 3.09 3.09 0.00 5.62 0.00 0.00 0.00 0.00 6.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 E 8.91 4.15 0.00 2.07 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.31 0.00 33 G 7.43 4.20 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 C 7.84 5.07 0.00 2.86 2.89 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 0.00 0.00 0.00 0.00 35 T 8.48 4.20 4.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 36 S 8.67 4.65 0.00 3.82 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 37 E 8.24 5.53 0.00 2.05 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 2.49 0.00 38 I 8.23 4.81 1.64 0.00 0.00 0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 -0.36 0.96 0.00 0.00 39 Q 8.38 5.10 0.00 1.91 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.80 0.00 0.00 0.00 0.00 0.00 2.45 2.37 0.00 40 E 8.72 4.71 0.00 1.96 2.01 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 1.83 1.87 0.00 41 Q 8.48 4.47 0.00 2.03 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.77 7.03 0.00 0.00 0.00 0.00 0.00 2.27 2.45 0.00 42 C 8.63 4.42 0.00 2.88 2.97 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 43 E 8.15 4.51 0.00 1.80 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.08 0.00 44 E 7.91 4.25 0.00 1.95 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 2.25 2.24 0.00 45 E 7.77 4.63 0.00 1.90 1.77 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 2.25 2.23 0.00 46 R 8.52 3.90 0.00 1.94 1.96 0.00 3.20 0.00 0.00 3.21 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.62 0.00 47 C 7.73 4.48 0.00 2.94 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 48 P 0.00 4.56 0.00 2.17 2.05 0.00 3.78 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.98 0.00 49 P 0.00 4.39 0.00 2.05 2.03 0.00 3.70 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.10 0.00