NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 F 4.8888 8.3093 122.8261 57.5603 39.9385 173.3703 3 P 4.2970 0.0000 0.0000 60.5453 32.5703 174.2607 4 T 4.6376 7.8894 118.3642 60.0713 70.5893 173.7779 5 Y 4.9669 7.8884 124.7829 54.7626 41.4099 175.0815 6 K 4.6060 8.7644 119.5295 56.5248 32.9017 176.0322 7 C 4.8092 8.6915 117.5855 53.7356 40.4644 172.2437 8 P 4.4473 0.0000 0.0000 63.4831 32.7610 177.6718 9 E 4.3185 8.8460 120.1938 59.4138 29.2258 179.9136 10 T 4.0028 7.8919 115.2012 66.6781 69.0698 175.9259 11 F 4.0615 8.1324 122.1367 60.9865 39.2571 176.5927 12 D 4.1866 8.4623 117.2274 57.1931 41.0746 177.7586 13 A 4.1263 7.4558 120.0511 54.2651 18.4564 178.1046 14 W 4.5037 7.4830 112.2210 58.1597 29.4366 176.6743 15 Y 3.3583 5.9231 118.8486 60.1507 38.2618 175.3201 16 C 4.1649 7.4507 117.5277 56.4385 39.6638 173.2025 17 L 4.5853 8.0984 123.0734 53.7558 44.4585 175.5717 18 N 3.9102 8.7183 115.6450 55.4397 35.0966 173.8081 19 D 4.3152 7.7571 108.7894 55.0750 39.3225 174.5309 20 A 4.3762 7.1906 118.0822 51.9971 19.7355 177.5089 21 H 4.6095 9.1584 121.2784 55.1778 31.2989 173.4227 22 C 5.0477 8.7280 126.9601 56.1381 43.1312 172.4941 23 F 5.2664 8.7817 119.9385 55.0501 41.5437 173.2286 24 A 4.7952 8.8405 122.5810 50.0520 21.9684 175.4693 25 V 4.5048 8.2395 114.9858 59.1369 35.2912 175.1305 26 K 4.5082 8.8561 125.2770 55.5720 33.6704 176.0287 27 I 4.1541 8.3512 116.5981 59.5432 39.0405 175.3915 28 A 3.6437 9.4592 132.9465 54.2104 15.4607 176.9112 29 D 4.3300 8.1602 116.1956 53.9685 38.2308 176.2011 30 L 4.5307 7.2736 119.5450 52.4095 41.5204 178.1327 31 P 4.3476 0.0000 0.0000 61.9341 31.0182 175.8173 32 V 4.0639 8.2648 124.8884 61.2317 33.3898 173.9720 33 Y 4.4671 8.4547 125.8517 56.8382 39.0452 175.4773 34 S 4.5464 7.9525 121.4182 57.3845 66.2506 173.1382 35 C 5.0182 8.2167 120.2886 55.4398 43.6222 171.7731 36 E 4.4087 9.8021 126.9377 56.2692 30.1691 175.2228 37 C 5.0178 8.9326 124.3995 56.3930 36.1383 173.4436 38 A 4.5288 8.5027 122.7464 51.1828 19.9135 177.1950 39 I 3.6876 8.4070 120.5581 63.5057 37.7172 176.7175 40 G 3.7542 9.6195 112.4595 45.2218 0.0000 172.3567 41 F 5.3124 7.8171 116.5728 55.7061 43.0411 173.9036 42 M 4.8461 9.7387 120.8414 53.7348 34.3086 174.3263 43 G 4.6986 8.5544 105.4470 43.2095 0.0000 173.3237 44 Q 4.1026 8.4778 120.8687 58.4710 29.2762 176.9343 45 R 4.1081 8.4608 114.6720 55.0788 31.0394 175.0327 46 C 4.4757 7.7649 113.5678 58.0392 37.3070 173.4706 47 E 3.8460 7.7298 116.1900 57.2497 30.7764 175.9327 48 Y 4.9719 7.2469 116.9491 56.1332 40.3545 175.7526 49 K 4.5516 8.8076 121.6552 56.4458 33.2270 175.9144 50 E 4.5654 8.3283 123.9051 55.0355 31.0289 175.3654 51 I 4.2934 8.1375 126.4321 59.6417 38.9053 174.8972 52 D 4.5145 8.6466 124.7967 53.8639 41.1109 175.1914 53 N 4.8872 8.7136 123.7052 52.9297 37.5620 175.6299 54 T 4.2466 8.3665 109.5333 62.7468 69.7502 174.9403 55 Y 4.3461 7.5173 119.6157 57.7595 38.5680 175.4882 56 L 4.3334 8.3417 122.2824 53.7505 42.6213 175.6086 57 P 4.4953 0.0000 0.0000 62.1300 32.0984 176.8268 58 K 4.1606 8.4393 118.5767 56.9278 31.9548 177.2399 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 2 F 8.31 4.89 0.00 2.91 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 3 P 0.00 4.30 0.00 2.25 2.02 0.00 3.53 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 2.14 0.00 4 T 7.89 4.64 3.80 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 0.81 0.00 0.00 5 Y 7.89 4.97 0.00 3.10 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 6 K 8.76 4.61 0.00 1.77 1.86 0.00 1.79 0.00 0.00 1.81 0.00 0.00 3.04 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.51 1.52 7.81 7 C 8.69 4.81 0.00 3.24 3.34 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.45 0.00 2.22 2.08 0.00 3.40 0.00 0.00 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.25 0.00 9 E 8.85 4.32 0.00 2.02 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 0.00 2.44 2.38 0.00 10 T 7.89 4.00 4.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 11 F 8.13 4.06 0.00 2.88 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 12 D 8.46 4.19 0.00 2.80 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 13 A 7.46 4.13 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 W 7.48 4.50 0.00 3.47 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 15 Y 5.92 3.36 0.00 1.43 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 0.00 0.00 0.00 16 C 7.45 4.16 0.00 2.88 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 L 8.10 4.59 0.00 1.74 1.33 0.74 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 18 N 8.72 3.91 0.00 2.09 1.75 0.00 0.00 7.07 8.06 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 19 D 7.76 4.32 0.00 2.72 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 20 A 7.19 4.38 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 H 9.16 4.61 0.00 3.31 3.29 0.00 5.78 0.00 0.00 0.00 0.00 6.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 C 8.73 5.05 0.00 3.05 3.15 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 23 F 8.78 5.27 0.00 3.06 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 24 A 8.84 4.80 0.56 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 0.00 0.00 0.00 0.00 0.00 0.00 25 V 8.24 4.50 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 0.80 0.00 0.00 0.98 0.00 0.00 26 K 8.86 4.51 0.00 1.88 1.88 0.00 1.53 0.00 0.00 1.81 0.00 0.00 2.86 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.66 1.50 7.81 27 I 8.35 4.15 1.88 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 1.21 0.92 0.94 0.00 0.00 28 A 9.46 3.64 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.16 4.33 0.00 2.87 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 30 L 7.27 4.53 0.00 1.58 1.58 0.92 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 31 P 0.00 4.35 0.00 1.76 2.03 0.00 3.69 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 1.99 1.96 0.00 32 V 8.26 4.06 2.05 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 0.98 0.00 0.00 0.90 0.00 0.00 33 Y 8.45 4.47 0.00 2.61 2.71 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 34 S 7.95 4.55 0.00 2.72 3.51 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 0.00 0.00 0.00 0.00 35 C 8.22 5.02 0.00 3.03 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 36 E 9.80 4.41 0.00 2.48 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 2.31 2.42 0.00 37 C 8.93 5.02 0.00 2.99 3.19 0.00 0.00 0.00 0.00 0.00 0.00 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 8.50 4.53 1.37 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 39 I 8.41 3.69 1.92 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.87 0.92 0.00 0.00 40 G 9.62 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 0.00 0.00 0.00 41 F 7.82 5.31 0.00 3.10 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 42 M 9.74 4.85 0.00 2.22 2.19 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.58 0.00 43 G 8.55 4.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.48 4.10 0.00 2.06 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.03 7.10 0.00 0.00 0.00 0.00 0.00 2.43 2.52 0.00 45 R 8.46 4.11 0.00 1.67 1.49 0.00 3.15 0.00 0.00 2.94 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.24 0.00 46 C 7.76 4.48 0.00 3.17 3.16 0.00 0.00 0.00 0.00 0.00 0.00 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 7.73 3.85 0.00 1.70 1.74 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 1.47 1.47 0.00 48 Y 7.25 4.97 0.00 3.20 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 49 K 8.81 4.55 0.00 1.66 1.61 0.00 1.78 0.00 0.00 1.59 0.00 0.00 3.06 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.30 1.61 7.81 50 E 8.33 4.57 0.00 1.96 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 2.26 2.30 0.00 51 I 8.14 4.29 1.87 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 1.30 0.71 0.93 0.00 0.00 52 D 8.65 4.51 0.00 2.64 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 53 N 8.71 4.89 0.00 2.84 2.88 0.00 0.00 6.24 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 54 T 8.37 4.25 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 1.11 0.00 0.00 55 Y 7.52 4.35 0.00 3.01 2.87 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 56 L 8.34 4.33 0.00 1.69 1.62 0.95 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 57 P 0.00 4.50 0.00 2.05 1.99 0.00 3.70 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.12 0.00 58 K 8.44 4.16 0.00 1.73 1.71 0.00 1.75 0.00 0.00 1.72 0.00 0.00 2.96 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.42 1.35 7.81