NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 8 R 4.3215 8.2549 120.8595 55.6430 31.9785 175.0245 9 V 4.2011 7.2342 107.7041 59.8733 35.6557 171.3517 10 N 4.4200 9.3987 123.5114 53.7236 40.2353 175.7764 11 V 3.8522 8.4059 117.4017 63.2921 31.7217 176.6131 12 Q 4.5814 8.8938 117.6032 55.6613 30.4568 175.9505 13 R 4.7054 7.7380 117.2444 53.1628 30.4744 174.2037 14 P 4.2362 0.0000 0.0000 66.0459 31.6194 178.4848 15 L 4.0582 7.8978 117.4471 56.8928 41.6897 178.4161 16 D 4.5111 8.2102 118.6262 56.1726 40.4574 178.0987 17 A 4.0335 7.7763 121.2801 54.7344 18.5539 179.3551 18 L 3.8753 7.7635 118.1316 57.7310 41.4528 179.7088 19 G 3.9092 7.8349 105.1776 48.0755 0.0000 175.1119 20 N 4.5494 8.0104 116.8036 55.0441 38.8625 176.4682 21 S 4.6244 7.9297 115.4246 56.8551 63.7002 173.8323 22 L 4.2314 7.2377 121.9201 56.7632 41.8207 176.6457 23 N 4.3444 9.3518 119.0240 54.3033 36.9812 174.0141 24 S 4.9059 7.9239 112.5111 55.8707 67.3940 172.0047 25 P 5.0060 0.0000 0.0000 63.1214 31.9516 176.0310 26 V 4.8950 8.9198 115.1733 60.1666 37.1668 173.8726 27 I 4.8807 9.1338 122.4880 59.7414 40.1258 174.8741 28 I 4.8113 9.3153 128.3351 59.3090 39.9938 174.3402 29 K 4.7012 8.5926 128.9531 54.6365 33.4537 175.2491 30 L 5.0855 8.7087 127.3607 52.4134 44.9724 176.0852 31 K 3.7702 8.5512 120.4448 57.6966 32.6774 177.5308 32 G 3.7408 8.6903 110.1350 45.7249 0.0000 172.8455 33 D 4.2886 7.9393 115.3349 55.0569 39.8006 172.9273 34 R 4.6597 7.4615 115.8905 54.4299 33.2031 174.3687 35 E 5.2045 8.1975 124.0858 54.4970 33.4408 174.0255 36 F 5.3309 9.5077 124.1956 55.8341 43.4494 174.2094 37 R 5.2696 8.5620 119.7870 53.2908 34.6123 174.9594 38 G 4.0983 8.0793 107.8937 46.4017 0.0000 171.1922 39 V 4.5895 7.9924 120.4725 61.5334 33.0253 175.2073 40 L 4.5574 8.7532 130.9695 55.3172 42.4027 177.1101 41 K 4.8067 8.8605 125.0293 57.0262 34.9003 175.9395 42 S 4.6653 7.6909 112.1179 57.8075 65.6013 173.8308 43 F 5.9132 8.0121 116.0322 57.3812 40.1602 172.5468 44 D 5.0960 8.2927 119.6149 51.1137 42.1388 176.2435 45 L 4.1363 8.3670 117.9331 58.8347 40.7850 177.4363 46 H 4.5005 8.2225 115.2047 56.2561 29.0916 176.1508 47 M 3.2869 8.1728 118.3415 55.4622 30.0383 176.3555 48 N 4.9581 8.4754 117.7434 53.4454 39.8247 174.1849 49 L 5.2416 9.1443 122.3636 54.4833 44.9484 174.6585 50 V 4.8564 8.6650 119.2353 61.1513 34.3888 174.2530 51 L 5.3657 8.8752 127.0823 53.1173 45.0191 175.1479 52 N 5.2247 8.9783 118.8286 51.7895 42.2607 174.1721 53 D 4.5301 8.7730 117.7758 55.2711 38.9711 174.0571 54 A 4.6651 8.0315 119.7615 52.1712 19.8768 177.5441 55 E 5.1407 9.6063 119.5585 54.5964 34.4105 174.1748 56 E 4.4780 8.9498 123.8394 54.5093 31.6380 174.7390 57 L 5.2593 8.3050 126.1198 53.3522 45.5321 176.1804 58 E 4.3908 8.9419 119.4140 56.7812 33.6896 175.7437 59 D 4.2151 9.9682 121.9333 55.0876 38.5730 174.5334 60 G 4.0584 8.5717 106.2311 45.0430 0.0000 173.5416 61 E 4.6352 8.0317 119.2503 53.7597 32.4892 175.5957 62 V 4.0739 8.4103 123.0245 63.5893 31.8015 175.5687 63 T 4.4525 8.8084 117.7857 62.7005 70.0714 174.9591 64 R 4.6804 7.6143 119.5301 54.9400 34.9942 173.8917 65 R 4.7617 8.5760 121.8630 55.0216 31.6530 174.9619 66 L 4.4701 9.0154 126.3209 52.5922 43.0860 178.6653 67 G 3.8243 8.2251 108.5492 47.1033 0.0000 176.3126 68 T 4.8443 8.6376 120.2978 63.0731 69.1980 173.1180 69 V 4.4267 8.5675 123.7220 60.5043 35.2817 172.3725 70 L 4.9076 8.4903 126.0437 53.6821 43.4469 175.1195 71 I 4.3634 8.8697 127.9112 59.4046 39.7769 175.4712 72 R 4.5309 8.4937 126.4117 55.4929 30.9982 177.7917 73 G 4.1414 9.7432 112.4960 48.0404 0.0000 174.8118 74 D 4.5360 8.0591 116.9840 54.8357 39.6184 176.2968 75 N 4.7160 7.9600 116.8139 53.3996 39.4139 174.7461 76 I 4.3683 7.4620 120.1863 61.0383 38.1369 175.3381 77 V 4.2850 8.8166 125.3447 64.5142 32.3580 175.1458 78 Y 5.0291 7.0999 116.0035 56.0813 41.4090 172.9549 79 I 5.2487 8.4170 119.8038 59.8393 41.1127 174.9454 80 S 4.6776 9.1919 120.0122 55.7291 66.3588 172.2226 81 P 4.4419 0.0000 0.0000 63.0338 31.0655 176.2388 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 8 R 8.25 4.32 0.00 1.78 2.01 0.00 3.24 0.00 0.00 3.22 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.66 0.00 9 V 7.23 4.20 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 0.62 0.00 0.00 0.92 0.00 0.00 10 N 9.40 4.42 0.00 2.72 2.69 0.00 0.00 7.19 7.71 0.00 0.00 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 V 8.41 3.85 2.08 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 0.76 0.00 0.00 0.93 0.00 0.00 12 Q 8.89 4.58 0.00 2.05 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 7.25 0.00 0.00 0.00 0.00 0.00 2.28 2.28 0.00 13 R 7.74 4.71 0.00 1.89 1.87 0.00 3.15 0.00 0.00 3.23 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.52 0.00 14 P 0.00 4.24 0.00 2.24 2.31 0.00 3.79 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 2.07 2.07 0.00 15 L 7.90 4.06 0.00 1.77 1.77 0.91 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 16 D 8.21 4.51 0.00 2.85 2.72 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 17 A 7.78 4.03 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.76 3.88 0.00 0.58 0.13 0.48 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 19 G 7.83 3.91 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 0.00 0.00 0.00 20 N 8.01 4.55 0.00 2.91 2.90 0.00 0.00 6.97 6.88 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 21 S 7.93 4.62 0.00 3.93 3.87 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 0.00 0.00 0.00 22 L 7.24 4.23 0.00 1.77 1.71 1.01 1.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 23 N 9.35 4.34 0.00 2.84 2.91 0.00 0.00 6.79 7.59 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 24 S 7.92 4.91 0.00 3.87 3.71 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 5.01 0.00 1.95 2.00 0.00 3.65 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.13 0.00 26 V 8.92 4.90 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 0.99 0.00 0.00 1.00 0.00 0.00 27 I 9.13 4.88 1.99 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.79 1.02 0.00 0.00 28 I 9.32 4.81 1.97 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 1.17 0.99 0.88 0.00 0.00 29 K 8.59 4.70 0.00 0.79 0.74 0.00 1.55 0.00 0.00 1.48 0.00 0.00 2.94 0.00 0.00 2.87 0.00 0.00 0.00 0.00 0.86 1.12 7.81 30 L 8.71 5.09 0.00 1.66 1.68 1.00 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 31 K 8.55 3.77 0.00 1.63 1.76 0.00 1.74 0.00 0.00 1.71 0.00 0.00 2.96 0.00 0.00 3.19 0.00 0.00 0.00 0.00 1.48 1.61 7.81 32 G 8.69 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 7.94 4.29 0.00 2.77 2.68 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.46 4.66 0.00 1.94 1.80 0.00 3.44 0.00 0.00 3.35 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 1.40 0.00 35 E 8.20 5.20 0.00 1.95 1.58 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 2.22 2.40 0.00 36 F 9.51 5.33 0.00 2.88 2.90 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 37 R 8.56 5.27 0.00 1.72 1.78 0.00 3.22 0.00 0.00 3.29 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.41 0.00 38 G 8.08 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 0.00 0.00 0.00 0.00 39 V 7.99 4.59 2.10 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 1.01 0.00 0.00 0.95 0.00 0.00 40 L 8.75 4.56 0.00 1.87 1.73 1.08 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 41 K 8.86 4.81 0.00 1.63 1.81 0.00 1.83 0.00 0.00 1.65 0.00 0.00 2.86 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.56 1.66 7.81 42 S 7.69 4.67 0.00 3.81 3.63 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.01 5.91 0.00 2.99 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 44 D 8.29 5.10 0.00 2.85 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 45 L 8.37 4.14 0.00 1.76 1.83 0.87 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 46 H 8.22 4.50 0.00 3.37 3.36 0.00 5.67 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 M 8.17 3.29 0.00 2.22 2.28 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.49 0.00 48 N 8.48 4.96 0.00 3.02 2.75 0.00 0.00 6.52 6.31 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 49 L 9.14 5.24 0.00 1.88 1.81 0.90 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 50 V 8.66 4.86 2.09 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 1.04 0.00 0.00 0.93 0.00 0.00 51 L 8.88 5.37 0.00 1.61 1.54 0.96 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 52 N 8.98 5.22 0.00 2.68 2.69 0.00 0.00 7.19 8.24 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 53 D 8.77 4.53 0.00 2.81 2.75 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 54 A 8.03 4.67 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 E 9.61 5.14 0.00 1.83 1.78 0.00 0.00 0.00 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 2.25 0.00 56 E 8.95 4.48 0.00 1.59 1.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.76 0.00 57 L 8.30 5.26 0.00 1.37 1.45 0.86 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 58 E 8.94 4.39 0.00 1.94 1.75 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 2.16 2.16 0.00 59 D 9.97 4.22 0.00 2.79 2.75 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 60 G 8.57 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 61 E 8.03 4.64 0.00 2.03 1.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.23 0.00 62 V 8.41 4.07 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 0.91 0.00 0.00 1.03 0.00 0.00 63 T 8.81 4.45 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 1.22 0.00 0.00 64 R 7.61 4.68 0.00 1.72 1.82 0.00 3.10 0.00 0.00 3.30 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.62 0.00 65 R 8.58 4.76 0.00 1.78 1.81 0.00 3.22 0.00 0.00 3.24 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.63 0.00 66 L 9.02 4.47 0.00 1.65 1.73 1.17 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 67 G 8.23 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 T 8.64 4.84 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 1.21 0.00 0.00 69 V 8.57 4.43 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 0.52 0.00 0.00 0.81 0.00 0.00 70 L 8.49 4.91 0.00 1.62 1.57 0.94 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 71 I 8.87 4.36 1.75 0.00 0.00 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 0.39 0.74 0.00 0.00 72 R 8.49 4.53 0.00 1.84 1.83 0.00 3.12 0.00 0.00 3.32 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.59 0.00 73 G 9.74 4.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 D 8.06 4.54 0.00 2.79 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 75 N 7.96 4.72 0.00 2.85 2.86 0.00 0.00 6.91 7.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 I 7.46 4.37 1.98 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.44 0.91 0.00 0.00 77 V 8.82 4.28 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 0.89 0.00 0.00 0.93 0.00 0.00 78 Y 7.10 5.03 0.00 3.01 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 79 I 8.42 5.25 1.89 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 1.23 0.69 0.91 0.00 0.00 80 S 9.19 4.68 0.00 3.86 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 P 0.00 4.44 0.00 2.08 1.96 0.00 3.76 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 2.02 2.08 0.00