NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.2979 8.3044 120.3282 55.4211 32.8127 175.5964 2 K 4.0669 8.4754 126.6841 54.7284 31.5550 175.4462 3 R 4.0383 8.1818 126.7375 56.4331 31.4841 176.5408 4 T 4.2716 8.1265 112.9406 60.7301 67.2017 172.7398 5 F 4.5971 8.2750 135.0000 57.0594 44.6282 174.8319 6 Q 3.4327 7.9670 122.6861 54.5394 29.2292 173.6163 7 P 4.3834 0.0000 0.0000 61.2244 29.0230 175.9076 8 S 3.7517 8.8015 122.9001 58.0003 59.4723 169.4784 9 V 4.0662 8.0714 120.0082 61.7194 32.0643 177.3607 10 L 4.2774 7.6975 118.8824 56.5886 41.1041 177.4097 11 K 4.1308 7.4046 117.9483 57.5264 32.3800 177.3128 12 R 4.0346 7.0970 116.8146 58.5370 30.5893 177.5007 13 N 4.9583 8.0222 115.6582 56.1946 39.1225 175.5904 14 R 4.6278 7.7012 116.6735 55.7367 30.1560 176.2632 15 S 4.6425 7.7304 112.5032 59.4346 69.6379 175.0065 16 H 4.6253 7.6588 121.1234 53.9429 33.1343 172.5685 17 G 3.7479 9.9764 127.0700 47.3372 0.0000 172.7144 18 F 3.7106 7.2783 111.5635 58.3539 38.8574 178.2134 19 R 4.0730 9.7214 116.7266 58.2003 29.3879 178.2538 20 A 3.8351 7.6614 120.0501 54.6941 19.0150 178.6585 21 R 4.1015 7.8018 116.9006 58.7329 30.2184 178.1263 22 M 3.9683 8.4858 120.2676 58.9271 32.3893 178.3995 23 A 4.1046 7.4800 119.7709 53.7863 18.8856 177.6779 24 T 4.4167 7.2855 113.4359 62.0287 69.7637 174.7323 25 K 3.8044 7.9590 122.5361 59.8822 31.8617 178.7733 26 N 4.4736 8.2576 119.1775 56.1142 37.1820 177.3511 27 G 3.7323 7.7232 108.3493 48.0265 0.0000 175.5856 28 R 3.9940 8.0119 120.2030 58.9836 29.9344 178.6854 29 Q 4.0961 8.0952 118.3710 58.7749 28.8498 178.2693 30 V 3.3723 7.5376 119.0562 66.3949 31.3119 178.1154 31 L 4.1836 7.7295 116.9442 57.4316 41.4031 179.1782 32 A 4.0737 7.8476 120.4654 54.9869 18.2583 179.6387 33 R 3.6122 8.7597 116.7022 59.4456 30.4171 177.8087 34 R 4.3165 7.5752 116.0799 57.7339 30.5621 178.4499 35 R 3.8877 8.5958 120.1026 60.2528 30.5441 178.2570 36 A 4.0135 7.8468 120.8799 54.8917 18.7121 178.5677 37 K 3.9290 8.7598 117.8276 59.4997 33.3890 180.1069 38 G 4.0810 7.8490 114.8581 45.7340 0.0000 175.0687 39 R 4.5239 8.4531 123.4161 56.1325 32.3158 174.5277 40 A 3.9304 8.2955 120.5219 52.8883 18.6043 178.4138 41 R 4.0395 8.8126 122.6002 58.6114 30.3221 177.2473 42 L 4.2255 7.4915 114.7317 54.5566 44.6332 174.4346 43 T 4.4594 8.0904 116.6111 60.5886 69.0847 172.6755 44 V 4.7100 7.7134 120.8978 62.1753 34.2988 171.5581 45 S 4.4405 7.3489 122.4458 58.5869 67.3614 176.6557 46 K 4.1694 8.8226 122.5343 57.7909 31.9081 176.6888 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 M 8.30 4.30 0.00 2.01 2.03 0.00 0.00 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.60 0.00 2 K 8.48 4.07 0.00 1.79 1.76 0.00 1.78 0.00 0.00 1.67 0.00 0.00 2.90 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.38 1.50 7.81 3 R 8.18 4.04 0.00 1.83 1.90 0.00 3.35 0.00 0.00 3.29 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.74 0.00 4 T 8.13 4.27 4.29 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 1.24 0.00 0.00 5 F 8.28 4.60 0.00 2.83 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 Q 7.97 3.43 0.00 2.07 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.73 0.00 0.00 0.00 0.00 0.00 2.23 2.22 0.00 7 P 0.00 4.38 0.00 2.06 1.10 0.00 3.69 0.00 0.00 3.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.85 0.00 8 S 8.80 3.75 0.00 3.98 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 9 V 8.07 4.07 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 0.78 0.00 0.00 0.92 0.00 0.00 10 L 7.70 4.28 0.00 1.73 1.77 0.90 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 11 K 7.40 4.13 0.00 1.75 1.83 0.00 1.78 0.00 0.00 1.60 0.00 0.00 2.92 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.39 1.34 7.81 12 R 7.10 4.03 0.00 1.95 1.82 0.00 3.25 0.00 0.00 3.15 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.60 0.00 13 N 8.02 4.96 0.00 2.73 2.77 0.00 0.00 7.71 7.65 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 14 R 7.70 4.63 0.00 1.82 1.90 0.00 3.31 0.00 0.00 3.29 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.67 0.00 15 S 7.73 4.64 0.00 3.90 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 16 H 7.66 4.63 0.00 3.07 3.08 0.00 5.68 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 G 9.98 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 18 F 7.28 3.71 0.00 3.45 3.40 0.00 0.00 0.00 0.00 0.00 0.00 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 R 9.72 4.07 0.00 2.11 2.24 0.00 2.76 0.00 0.00 3.11 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.66 0.00 20 A 7.66 3.84 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 21 R 7.80 4.10 0.00 1.91 2.12 0.00 3.34 0.00 0.00 3.27 7.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.72 0.00 22 M 8.49 3.97 0.00 2.16 2.18 0.00 0.00 0.00 0.00 0.00 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.66 2.75 0.00 23 A 7.48 4.10 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 24 T 7.29 4.42 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 25 K 7.96 3.80 0.00 1.84 1.73 0.00 1.57 0.00 0.00 1.87 0.00 0.00 3.07 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.54 1.58 7.81 26 N 8.26 4.47 0.00 2.99 3.09 0.00 0.00 5.85 6.93 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 27 G 7.72 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.01 3.99 0.00 1.91 1.95 0.00 3.28 0.00 0.00 3.18 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.83 0.00 29 Q 8.10 4.10 0.00 2.45 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 6.48 0.00 0.00 0.00 0.00 0.00 2.38 2.37 0.00 30 V 7.54 3.37 2.24 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 1.02 0.00 0.00 0.98 0.00 0.00 31 L 7.73 4.18 0.00 2.06 1.73 1.06 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 32 A 7.85 4.07 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 33 R 8.76 3.61 0.00 1.95 2.02 0.00 3.32 0.00 0.00 3.23 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.82 0.00 34 R 7.58 4.32 0.00 1.96 1.87 0.00 3.18 0.00 0.00 3.18 7.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.87 0.00 35 R 8.60 3.89 0.00 1.99 1.99 0.00 3.24 0.00 0.00 3.25 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.71 0.00 36 A 7.85 4.01 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 37 K 8.76 3.93 0.00 1.82 2.04 0.00 1.82 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.46 1.55 7.81 38 G 7.85 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 39 R 8.45 4.52 0.00 1.73 1.87 0.00 3.30 0.00 0.00 3.23 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.68 0.00 40 A 8.30 3.93 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 41 R 8.81 4.04 0.00 1.81 2.02 0.00 3.25 0.00 0.00 3.15 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.64 0.00 42 L 7.49 4.23 0.00 1.52 1.50 0.87 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 43 T 8.09 4.46 4.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 44 V 7.71 4.71 2.58 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 0.92 0.00 0.00 1.16 0.00 0.00 45 S 7.35 4.44 0.00 3.81 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 46 K 8.82 4.17 0.00 1.75 1.73 0.00 1.68 0.00 0.00 1.75 0.00 0.00 2.96 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.61 1.47 7.81