NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 L 4.3505 8.0433 120.6290 54.4228 42.9441 181.6933 1 C 4.3190 8.9572 130.4998 59.9770 39.8352 173.3918 2 S 4.0379 8.1540 114.0175 58.9813 63.9910 173.3758 3 L 4.2537 8.2465 124.2447 53.8166 41.7295 175.7016 4 D 4.3262 9.3254 129.3129 56.0639 39.8140 173.0152 5 N 4.4696 8.4741 109.4419 53.2388 37.8439 174.5819 6 G 3.6541 8.7008 101.5474 45.3290 0.0000 174.8351 7 D 4.5483 8.3609 116.5925 54.2896 40.6405 173.5111 8 C 4.6018 7.7871 114.8148 57.2365 40.9443 173.7014 9 D 4.5085 8.5381 123.2256 56.8586 42.2567 177.4454 10 Q 4.4555 7.7344 111.7424 55.7216 30.6645 179.1883 11 F 4.6546 6.1241 127.0224 58.7040 40.2011 173.0585 12 C 5.4748 8.9356 122.9803 55.1329 42.7853 172.6134 13 H 4.9907 9.1484 121.9350 54.1309 32.6885 172.4361 14 E 4.9908 8.9550 122.4553 55.1535 30.1413 175.0099 15 E 4.6099 9.2312 125.2515 55.6094 31.9267 176.8128 16 Q 3.4719 9.6299 120.8677 57.0353 26.4201 174.0447 17 N 4.4086 8.5797 112.5647 53.8661 37.8672 173.4569 18 S 4.8342 8.5322 113.5671 56.8063 65.8058 173.1206 19 V 4.4580 8.2189 123.3018 62.5862 32.3767 175.4821 20 V 4.4768 9.1464 127.6382 60.2091 33.7457 173.9839 21 C 5.5087 8.9113 122.9293 55.8543 41.4000 172.9296 22 S 4.6894 8.9685 115.6121 57.7069 66.6325 171.6289 23 C 4.5801 8.5302 114.7790 54.8844 40.4940 174.3052 24 A 4.3757 8.5260 124.5856 51.6682 18.7177 177.5221 25 R 3.9735 8.4217 118.9816 58.0065 30.5513 177.5680 26 G 4.0651 9.6179 110.0986 45.1719 0.0000 171.9358 27 Y 5.3294 7.6001 116.0033 56.2203 42.2367 174.8864 28 T 4.7462 8.7785 110.3531 59.4937 72.4512 173.0737 29 L 4.4843 8.6776 126.4854 55.2531 42.8150 176.5100 30 A 4.2844 9.1577 128.5875 51.6172 19.4323 178.0762 31 D 4.3844 8.7553 118.9222 57.5665 40.8844 178.0004 32 N 4.4179 8.1739 113.6742 53.0855 37.4594 175.4939 33 G 3.9784 8.4613 107.2464 46.3379 0.0000 173.8062 34 K 4.4900 8.6580 118.2417 57.6744 35.0577 176.8431 35 A 4.6757 8.2540 120.5954 51.9665 20.0197 176.5798 36 C 5.3647 9.0185 116.8529 55.1899 44.2152 173.7531 37 I 4.6219 8.7601 124.8936 58.6567 39.1653 173.5261 38 P 4.0162 0.0000 0.0000 63.0794 31.4516 176.3506 39 T 4.1096 8.3261 117.9970 62.5035 67.9044 174.1976 40 G 3.9078 7.0224 106.9061 45.6473 0.0000 171.0919 41 P 4.1791 0.0000 0.0000 62.8877 32.7882 174.9848 42 Y 3.6083 7.4428 114.4211 58.6249 34.5511 168.9761 43 P 4.3605 0.0000 0.0000 61.9938 32.8173 176.3064 44 C 4.0908 8.5221 115.1556 59.9147 29.8284 174.1720 45 G 3.9640 8.8986 108.7295 45.8311 0.0000 173.1593 46 K 4.6400 7.4628 117.9696 54.0368 34.0661 176.4415 47 Q 4.1759 8.5761 122.8478 56.0114 29.3409 175.9083 48 T 4.3678 8.4031 112.2347 61.2731 69.7529 174.6088 49 L 4.5149 8.3620 124.7229 55.2505 42.9412 176.3351 50 E 4.3745 7.9851 122.6133 56.9422 30.3573 174.9192 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 0 L 8.04 4.35 0.00 1.94 0.76 0.92 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 1 C 8.96 4.32 0.00 3.13 3.14 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 2 S 8.15 4.04 0.00 3.85 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 3 L 8.25 4.25 0.00 1.63 1.71 0.92 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 4 D 9.33 4.33 0.00 2.88 2.60 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.47 4.47 0.00 2.96 2.78 0.00 0.00 7.62 7.94 0.00 0.00 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 8.70 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.36 4.55 0.00 2.81 2.82 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 8 C 7.79 4.60 0.00 3.11 2.99 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 9 D 8.54 4.51 0.00 2.72 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 Q 7.73 4.46 0.00 1.54 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.82 6.91 0.00 0.00 0.00 0.00 0.00 1.91 2.00 0.00 11 F 6.12 4.65 0.00 3.00 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 12 C 8.94 5.47 0.00 3.15 2.94 0.00 0.00 0.00 0.00 0.00 0.00 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 H 9.15 4.99 0.00 3.29 3.13 0.00 5.85 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 E 8.96 4.99 0.00 1.85 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 2.25 2.33 0.00 15 E 9.23 4.61 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 2.22 2.25 0.00 16 Q 9.63 3.47 0.00 2.18 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.08 0.00 0.00 0.00 0.00 0.00 2.27 2.33 0.00 17 N 8.58 4.41 0.00 2.87 2.96 0.00 0.00 7.02 7.63 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 18 S 8.53 4.83 0.00 3.89 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 19 V 8.22 4.46 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 0.81 0.00 0.00 0.94 0.00 0.00 20 V 9.15 4.48 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 0.79 0.00 0.00 0.94 0.00 0.00 21 C 8.91 5.51 0.00 3.02 3.05 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 0.00 0.00 0.00 0.00 22 S 8.97 4.69 0.00 3.96 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 23 C 8.53 4.58 0.00 2.77 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 24 A 8.53 4.38 1.19 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 0.00 0.00 25 R 8.42 3.97 0.00 1.90 1.96 0.00 3.22 0.00 0.00 3.29 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.70 0.00 26 G 9.62 4.07 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 0.00 0.00 0.00 27 Y 7.60 5.33 0.00 2.78 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 28 T 8.78 4.75 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 1.22 0.00 0.00 29 L 8.68 4.48 0.00 1.67 1.64 1.01 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 30 A 9.16 4.28 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 D 8.76 4.38 0.00 2.68 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 32 N 8.17 4.42 0.00 2.81 2.93 0.00 0.00 6.00 7.00 0.00 0.00 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 G 8.46 3.98 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 0.00 0.00 0.00 34 K 8.66 4.49 0.00 1.67 1.95 0.00 1.66 0.00 0.00 1.76 0.00 0.00 2.88 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.34 1.52 7.81 35 A 8.25 4.68 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 C 9.02 5.36 0.00 2.66 2.86 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 37 I 8.76 4.62 1.89 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.01 0.90 0.00 0.00 38 P 0.00 4.02 0.00 1.73 1.58 0.00 3.64 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 2.05 0.00 39 T 8.33 4.11 4.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 40 G 7.02 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 41 P 0.00 4.18 0.00 1.76 1.85 0.00 3.90 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 1.96 0.00 42 Y 7.44 3.61 0.00 3.20 3.06 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 43 P 0.00 4.36 0.00 1.70 1.73 0.00 3.63 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 1.78 0.00 44 C 8.52 4.09 0.00 3.19 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 45 G 8.90 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 46 K 7.46 4.64 0.00 1.82 1.76 0.00 1.78 0.00 0.00 1.77 0.00 0.00 3.02 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.51 1.58 7.81 47 Q 8.58 4.18 0.00 2.07 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.89 0.00 0.00 0.00 0.00 0.00 2.39 2.37 0.00 48 T 8.40 4.37 4.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 49 L 8.36 4.51 0.00 1.65 1.76 0.92 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 50 E 7.99 4.37 0.00 1.90 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 2.22 2.36 0.00