NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.2550 8.3645 123.5821 51.4834 20.5657 177.3412 2 K 4.3567 8.0252 115.6798 52.5998 34.1835 175.7941 *3 Y 5.1443 8.5670 125.8166 54.8513 40.0884 171.9576 4 V 4.6782 8.3982 125.9096 59.7309 34.0446 173.8888 5 C 5.2780 9.4202 126.6218 54.7318 40.3914 174.1640 6 K 3.9465 9.0788 128.2682 55.6903 31.4848 174.6286 7 I 4.1759 7.4416 116.8123 62.6954 36.4901 183.1536 8 C 4.6376 8.0118 116.5406 54.5850 40.7622 175.3618 9 G 4.5261 8.7561 108.4264 47.3940 0.0000 173.9724 *10 Y 4.0120 6.9777 120.5210 54.2450 39.3553 179.2344 11 I 4.5011 8.4636 125.3450 59.1491 37.2695 176.1128 *12 Y 4.4727 9.2625 133.2467 57.8624 36.7711 172.0873 13 D 4.4042 8.5097 125.6621 54.3920 39.0045 180.7226 14 E 3.6965 8.6733 124.7084 58.0805 30.4465 176.7598 15 D 4.5723 8.1155 115.8882 56.2597 40.3906 183.3292 16 A 3.9717 8.0075 121.6580 53.1682 18.9874 178.5963 17 G 3.7782 9.9333 106.0785 47.2452 0.0000 173.9946 18 D 4.7807 8.5325 113.2454 52.2606 42.2699 170.5818 19 P 4.3691 0.0000 0.0000 66.2244 31.4972 180.6571 20 D 4.6253 7.8461 119.0587 56.1549 40.0367 180.0510 21 N 5.0598 7.8212 116.0164 51.7186 38.5695 176.1247 22 G 3.9241 9.3242 107.0970 47.9466 0.0000 175.0344 23 V 4.3692 7.9784 121.9292 60.0787 34.1214 179.3457 24 S 4.8515 8.6086 127.1926 56.5168 64.9358 168.6671 25 P 4.7045 0.0000 0.0000 64.0059 31.5466 176.0973 26 G 3.9494 9.0357 107.5692 48.5602 0.0000 175.3185 27 T 4.0478 8.0138 115.0198 61.0024 69.1363 180.6025 28 K 4.4539 8.4685 129.5032 53.4299 33.4107 176.9532 *29 F 4.0326 8.7329 118.6494 61.7208 38.0160 178.7696 30 E 4.1993 8.3113 114.9641 56.9791 29.0044 179.3938 31 E 4.6644 7.9740 116.9370 57.0403 32.3125 181.3911 32 I 3.8146 7.9353 118.4802 60.3278 35.8134 180.4417 33 P 4.5610 0.0000 0.0000 61.5221 31.2845 174.4046 34 D 4.4910 8.7239 118.0440 57.1491 39.8750 177.8659 35 D 4.9581 8.0509 116.8345 53.6836 40.4915 181.7318 *36 W 4.5576 7.6578 122.8495 57.8329 29.0630 179.9234 37 V 4.4973 7.7960 116.2169 60.7460 34.9440 175.9849 38 C 4.4626 8.7490 118.7691 56.0031 40.2390 174.9276 39 P 4.0995 0.0000 0.0000 64.4730 30.0046 175.2475 40 I 4.0906 7.1783 116.9164 61.3492 35.9650 181.5146 41 C 4.5786 7.9924 116.6955 54.2113 41.2189 177.4077 42 G 4.4242 8.3576 104.1416 46.0891 0.0000 173.7224 43 A 4.0433 7.4037 123.9007 51.6350 19.0934 177.3580 44 P 4.2378 0.0000 0.0000 62.9740 31.0712 178.1186 45 K 3.8968 9.1994 128.1506 57.7500 31.5470 176.4716 46 S 4.2422 8.3627 116.7329 61.4622 62.4311 178.4132 47 E 4.4256 8.7075 118.9932 57.0093 28.7807 181.7095 *48 F 5.1205 7.6696 119.8244 56.1420 41.8106 177.4748 49 E 4.8247 8.2928 121.1249 54.7192 33.7100 174.8471 50 K 4.1690 8.3815 121.4031 55.2150 32.5207 175.3065 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 8.36 4.25 1.31 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 0.00 0.00 0.00 2 K 8.03 4.36 0.00 1.84 1.58 0.00 1.79 0.00 0.00 1.73 0.00 0.00 2.91 0.00 0.00 2.69 0.00 0.00 0.00 0.00 1.25 1.07 7.81 *3 Y 8.57 5.14 0.00 1.98 2.18 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.40 4.68 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 0.86 0.00 0.00 0.93 0.00 0.00 5 C 9.42 5.28 0.00 2.47 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 K 9.08 3.95 0.00 1.77 1.74 0.00 1.76 0.00 0.00 1.74 0.00 0.00 2.95 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.36 1.00 7.81 7 I 7.44 4.18 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 1.27 1.16 0.91 0.00 0.00 8 C 8.01 4.64 0.00 2.72 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 9 G 8.76 4.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 6.98 4.01 0.00 2.03 2.15 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.46 4.50 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 1.20 0.59 0.91 0.00 0.00 *12 Y 9.26 4.47 0.00 2.05 2.20 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 13 D 8.51 4.40 0.00 2.59 2.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 E 8.67 3.70 0.00 1.98 1.89 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 2.23 1.87 0.00 15 D 8.12 4.57 0.00 2.60 2.69 0.00 0.00 0.00 0.00 0.00 0.00 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 8.01 3.97 1.29 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 0.00 0.00 0.00 17 G 9.93 3.78 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 0.00 0.00 0.00 0.00 0.00 0.00 18 D 8.53 4.78 0.00 2.53 2.52 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.37 0.00 1.99 2.10 0.00 3.73 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 1.60 0.00 20 D 7.85 4.63 0.00 2.69 2.62 0.00 0.00 0.00 0.00 0.00 0.00 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 N 7.82 5.06 0.00 2.69 2.66 0.00 0.00 6.61 7.51 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 22 G 9.32 3.92 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 0.00 0.00 0.00 23 V 7.98 4.37 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 0.70 0.00 0.00 0.93 0.00 0.00 24 S 8.61 4.85 0.00 3.41 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 25 P 0.00 4.70 0.00 1.76 1.96 0.00 3.90 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 2.02 1.44 0.00 26 G 9.04 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 27 T 8.01 4.05 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 28 K 8.47 4.45 0.00 1.67 1.71 0.00 1.76 0.00 0.00 1.85 0.00 0.00 2.85 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.42 1.00 7.81 *29 F 8.73 4.03 0.00 2.20 2.32 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 30 E 8.31 4.20 0.00 1.98 1.86 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 2.23 1.87 0.00 31 E 7.97 4.66 0.00 1.95 1.82 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 2.14 2.08 0.00 32 I 7.94 3.81 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 1.16 1.10 0.91 0.00 0.00 33 P 0.00 4.56 0.00 1.99 1.97 0.00 3.70 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.59 0.00 34 D 8.72 4.49 0.00 2.69 2.62 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.05 4.96 0.00 2.66 2.52 0.00 0.00 0.00 0.00 0.00 0.00 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 W 7.66 4.56 0.00 2.47 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 0.00 0.00 0.00 0.00 37 V 7.80 4.50 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 0.78 0.00 0.00 0.93 0.00 0.00 38 C 8.75 4.46 0.00 2.75 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 39 P 0.00 4.10 0.00 2.08 2.00 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 1.94 1.59 0.00 40 I 7.18 4.09 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 1.27 1.13 0.91 0.00 0.00 41 C 7.99 4.58 0.00 2.74 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 42 G 8.36 4.42 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 A 7.40 4.04 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 P 0.00 4.24 0.00 2.01 1.97 0.00 3.77 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 1.60 0.00 45 K 9.20 3.90 0.00 1.67 1.89 0.00 1.79 0.00 0.00 1.85 0.00 0.00 2.88 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.46 1.05 7.81 46 S 8.36 4.24 0.00 3.62 3.85 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 0.00 0.00 0.00 47 E 8.71 4.43 0.00 1.84 1.95 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 2.24 2.12 0.00 *48 F 7.67 5.12 0.00 2.26 2.03 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 49 E 8.29 4.82 0.00 1.82 1.76 0.00 0.00 0.00 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 1.87 0.00 50 K 8.38 4.17 0.00 1.71 1.52 0.00 1.81 0.00 0.00 1.74 0.00 0.00 2.75 0.00 0.00 2.57 0.00 0.00 0.00 0.00 1.20 0.93 7.81 * Residues marked with a * may have inaccurate shift predictions.