NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 K 4.4361 8.1576 122.0433 56.3803 33.8841 174.4138 2 E 4.6193 9.3241 122.6452 53.1214 32.8020 173.2238 3 G 3.6881 6.9511 110.3837 45.2433 0.0000 172.3403 4 Y 4.4877 7.6038 116.7541 57.4630 39.3036 175.4410 5 L 4.4580 8.4761 124.9575 55.3004 43.5125 175.5316 6 M 5.2496 8.5593 124.1792 53.9773 34.8506 176.2163 7 D 4.8132 8.7504 121.6273 52.6245 41.9859 176.5048 8 H 4.3556 8.8003 113.2534 58.2130 28.5757 175.5143 9 E 4.3350 8.2260 117.7758 56.1065 30.1463 176.4773 10 G 3.9969 8.3284 107.3050 45.2788 0.0000 172.9431 11 C 4.8615 8.3349 117.1602 55.5161 42.1383 173.3893 12 K 4.4099 8.1605 120.2422 56.2424 32.6574 176.7533 13 L 4.1823 8.5071 126.7100 54.6924 42.7937 176.1105 14 S 4.7267 8.7082 122.1251 58.0654 63.2498 172.2725 15 C 5.0275 8.6919 120.2542 54.9075 42.6934 173.7206 16 F 4.0271 8.0907 122.2147 60.3710 39.6566 175.3774 17 I 3.1486 7.8798 129.3011 62.8594 34.4027 173.2759 18 R 4.5466 7.2145 116.7739 53.1483 33.7177 174.7068 19 P 4.4795 0.0000 0.0000 62.2823 32.1397 175.8170 20 S 4.2976 8.2947 114.0188 59.6954 62.9461 174.2738 21 G 4.0944 9.0307 114.7365 45.9491 0.0000 174.9224 22 Y 4.0890 8.0099 120.4706 61.2407 38.7426 177.6510 23 C 4.2858 8.4324 116.9898 59.6866 41.5139 176.0771 24 G 3.6289 8.1175 107.0134 47.7733 0.0000 175.4747 25 R 3.8611 8.1728 121.5161 59.3059 30.2824 178.5600 26 E 3.8575 8.0314 118.3813 59.2970 29.2708 178.5481 27 C 4.4209 8.6803 119.3400 59.5155 43.8272 175.8726 28 G 3.6703 8.2028 107.4351 48.7100 0.0000 175.7896 29 I 3.8246 7.6866 121.1549 63.5187 37.0969 177.6060 30 K 4.3468 7.2110 115.7740 55.9160 32.0141 177.3171 31 K 4.0282 7.9228 117.7722 56.4194 30.0802 176.5090 32 G 4.0768 8.1930 107.3370 46.2283 0.0000 175.2748 33 S 4.6675 8.6463 115.5375 59.4697 64.7637 173.5934 34 S 4.8352 7.9527 113.8144 57.7941 65.4695 173.2333 35 G 4.7387 8.6682 110.5318 45.9112 0.0000 171.3451 36 Y 5.0723 8.9813 118.0882 55.7554 42.1477 173.6909 37 C 4.5624 8.9943 120.4660 55.8852 43.2879 174.0511 38 A 4.1300 8.0499 135.0000 50.1843 16.9169 176.1801 39 W 4.4716 7.7358 129.4883 56.0040 31.8141 173.4652 40 P 4.1481 0.0000 0.0000 62.2269 32.1308 174.3207 41 A 5.1083 7.8908 120.7646 50.8166 23.2804 175.6407 42 C 4.9546 9.1578 117.3540 57.0214 42.4441 172.4080 43 Y 4.7139 8.6883 123.3370 55.7261 41.7094 173.3074 44 C 5.3441 8.1863 125.8518 54.9384 41.4950 172.0502 45 Y 4.7843 8.9810 121.4874 56.8285 41.1867 176.3738 46 G 4.1398 8.7650 107.6649 47.0171 0.0000 173.0951 47 L 4.1961 7.7804 119.3968 52.7820 42.6008 175.4929 48 P 3.9278 0.0000 0.0000 62.3994 31.5905 177.2755 49 N 4.2970 8.1633 117.6692 55.6800 38.5443 176.1738 50 W 4.5822 7.3792 112.8692 56.5527 28.9565 176.2435 51 V 3.9399 7.2496 120.3037 62.0433 31.6975 175.1154 52 K 4.2581 8.4887 128.0776 55.8857 32.9231 175.7957 53 V 4.5801 7.8632 117.8369 58.6475 35.1689 174.8954 54 W 4.3049 8.9647 132.2266 57.8383 30.9375 174.7934 55 D 4.2860 7.2217 124.2986 52.1477 43.6217 176.0461 56 R 3.3343 8.2645 124.4635 59.2954 30.4334 177.8475 57 A 4.0115 7.7744 118.9180 55.2391 18.3201 178.6669 58 T 4.4306 7.2692 108.8819 63.0991 68.9337 174.1684 59 N 4.5371 7.3109 119.6801 53.8268 40.3871 174.1272 60 K 4.3819 8.0522 122.3890 56.7205 31.9475 175.1934 61 C 4.6025 8.3819 123.4573 56.2861 44.2091 173.1298 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 K 8.16 4.44 0.00 1.78 1.80 0.00 1.56 0.00 0.00 1.71 0.00 0.00 2.88 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.32 1.40 7.81 2 E 9.32 4.62 0.00 1.79 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 2.19 2.38 0.00 3 G 6.95 3.69 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 0.00 0.00 0.00 4 Y 7.60 4.49 0.00 3.05 2.74 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 5 L 8.48 4.46 0.00 1.76 1.51 0.86 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 6 M 8.56 5.25 0.00 2.02 2.03 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.82 2.82 0.00 7 D 8.75 4.81 0.00 2.86 2.85 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 8 H 8.80 4.36 0.00 3.32 3.50 0.00 5.50 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 E 8.23 4.34 0.00 1.85 1.98 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 2.25 2.15 0.00 10 G 8.33 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 C 8.33 4.86 0.00 3.32 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 12 K 8.16 4.41 0.00 1.17 1.37 0.00 0.72 0.00 0.00 0.61 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.42 0.21 7.81 13 L 8.51 4.18 0.00 1.81 1.58 0.99 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 14 S 8.71 4.73 0.00 3.81 3.69 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 15 C 8.69 5.03 0.00 3.01 3.26 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 16 F 8.09 4.03 0.00 2.67 2.88 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 0.00 0.00 0.00 17 I 7.88 3.15 1.73 0.00 0.00 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.29 0.49 0.81 0.00 0.00 18 R 7.21 4.55 0.00 1.70 1.38 0.00 2.21 0.00 0.00 2.87 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.79 0.00 19 P 0.00 4.48 0.00 2.27 2.20 0.00 3.54 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 1.97 0.00 20 S 8.29 4.30 0.00 3.90 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 21 G 9.03 4.09 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 0.00 0.00 0.00 22 Y 8.01 4.09 0.00 3.14 3.07 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 0.00 0.00 0.00 23 C 8.43 4.29 0.00 3.03 3.12 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.12 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 0.00 0.00 0.00 25 R 8.17 3.86 0.00 1.93 2.02 0.00 3.10 0.00 0.00 3.18 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.65 0.00 26 E 8.03 3.86 0.00 1.75 1.80 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 1.68 1.65 0.00 27 C 8.68 4.42 0.00 3.00 3.31 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 28 G 8.20 3.67 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 I 7.69 3.82 1.98 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.81 0.90 0.00 0.00 30 K 7.21 4.35 0.00 1.89 1.79 0.00 1.74 0.00 0.00 1.71 0.00 0.00 3.02 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.41 1.58 7.81 31 K 7.92 4.03 0.00 1.86 2.02 0.00 1.83 0.00 0.00 1.80 0.00 0.00 3.17 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.36 1.39 7.81 32 G 8.19 4.08 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 0.00 0.00 0.00 33 S 8.65 4.67 0.00 3.95 4.12 0.00 0.00 0.00 0.00 0.00 0.00 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 S 7.95 4.84 0.00 3.93 3.86 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 0.00 0.00 0.00 35 G 8.67 4.74 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 36 Y 8.98 5.07 0.00 3.08 3.09 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 C 8.99 4.56 0.00 3.08 3.23 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 38 A 8.05 4.13 0.99 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 0.00 0.00 39 W 7.74 4.47 0.00 3.30 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 40 P 0.00 4.15 0.00 1.52 0.66 0.00 3.47 0.00 0.00 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.40 0.00 41 A 7.89 5.11 1.06 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 42 C 9.16 4.95 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 Y 8.69 4.71 0.00 2.40 2.17 0.00 0.00 0.00 0.00 0.00 0.00 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 C 8.19 5.34 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 45 Y 8.98 4.78 0.00 2.88 2.79 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 46 G 8.76 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 47 L 7.78 4.20 0.00 1.59 1.41 0.76 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 48 P 0.00 3.93 0.00 0.49 0.49 0.00 3.24 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.66 0.00 49 N 8.16 4.30 0.00 2.77 2.93 0.00 0.00 6.95 7.68 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 50 W 7.38 4.58 0.00 3.34 3.32 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 51 V 7.25 3.94 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.69 0.00 0.00 0.75 0.00 0.00 52 K 8.49 4.26 0.00 1.78 1.70 0.00 1.78 0.00 0.00 1.71 0.00 0.00 2.95 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.39 1.45 7.81 53 V 7.86 4.58 2.26 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 0.66 0.00 0.00 0.94 0.00 0.00 54 W 8.96 4.30 0.00 3.33 3.28 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 55 D 7.22 4.29 0.00 2.55 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 0.00 0.00 0.00 56 R 8.26 3.33 0.00 1.67 1.92 0.00 3.28 0.00 0.00 3.28 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.46 0.00 57 A 7.77 4.01 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 T 7.27 4.43 4.12 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 59 N 7.31 4.54 0.00 2.58 2.87 0.00 0.00 6.93 6.56 0.00 0.00 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 K 8.05 4.38 0.00 1.79 1.10 0.00 1.81 0.00 0.00 1.76 0.00 0.00 3.01 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.35 1.48 7.81 61 C 8.38 4.60 0.00 3.12 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