NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 R 4.2828 8.1127 119.7053 56.0019 31.5889 173.7419 5 E 4.7687 8.2823 120.6079 53.2339 32.4221 173.7825 6 C 4.3882 9.4790 127.4794 59.3128 32.8880 173.5533 7 D 4.5091 8.6257 125.9891 55.7891 39.6784 175.7429 8 Y 4.3396 6.8691 118.4674 58.8756 41.2302 176.3324 9 C 3.9155 8.1385 113.8914 60.2076 30.7166 175.7495 10 G 4.1303 8.3372 106.4705 44.8337 0.0000 173.5598 11 T 4.3369 7.7169 109.9478 61.3679 70.4841 173.3994 12 D 4.9460 8.5171 122.6523 54.4593 41.6450 176.0875 13 I 4.1431 8.4946 125.2717 60.0726 38.3490 175.5445 14 E 3.9191 8.9661 128.7507 55.3977 29.7941 174.1553 15 P 4.2411 0.0000 0.0000 64.7175 31.4102 176.0872 16 G 3.8907 9.8849 108.5833 46.3734 0.0000 172.9592 17 T 4.5217 7.5397 112.9931 62.4530 72.7327 174.1433 18 G 4.1196 9.4178 108.6826 45.4981 0.0000 172.7257 19 T 4.7654 8.4350 113.4353 61.8208 72.9654 173.1740 20 M 4.9909 8.7730 124.9913 53.9046 33.9361 174.5587 21 F 4.7424 9.4098 130.3283 57.3530 41.1382 174.3676 22 V 4.3114 7.6230 126.4120 61.5095 32.5035 175.4058 23 H 4.1678 9.1567 125.9015 54.7882 29.6116 176.5136 24 K 3.8438 8.8009 122.1937 59.7930 31.8757 177.9086 25 D 4.4077 8.0001 116.2291 55.2077 39.5019 175.9016 26 G 3.5233 7.7289 107.8470 45.1775 0.0000 174.0569 27 A 4.2066 8.5026 123.1691 52.9264 19.6489 176.5947 28 T 5.0367 8.4123 115.1328 62.0585 71.9870 173.9077 29 T 4.6743 9.0251 122.0287 62.1258 72.1857 172.7069 30 H 5.0165 10.2677 126.0057 55.1526 30.3930 174.7212 31 F 5.3502 9.5619 122.2722 55.9597 41.4525 176.3213 32 C 4.4887 9.0465 116.2248 59.5535 30.6172 173.7332 33 S 4.6314 7.5765 114.3318 56.3785 66.2639 175.7153 34 S 4.7258 8.3913 118.8823 60.8046 62.7020 176.0502 35 K 3.7116 8.0973 122.8710 59.9482 31.8040 178.2538 36 C 4.3622 7.7902 116.1415 62.4601 28.0813 175.9592 37 E 2.7691 7.6322 120.0217 59.1898 28.5807 179.1784 38 N 4.2229 8.3573 116.7243 56.3057 38.0515 177.3237 39 N 4.4429 8.1011 117.8049 55.9496 38.6246 177.4729 40 A 4.2814 7.6887 122.3696 55.3428 18.3376 179.4359 41 D 4.5447 7.9061 116.0323 56.9876 40.8809 178.1427 42 L 4.3256 7.2679 116.9711 54.7662 41.8870 177.8578 43 G 4.0243 8.5517 108.2943 45.2480 0.0000 174.5599 44 R 4.1777 7.4089 117.4176 56.1235 30.9306 175.6602 45 E 4.6209 8.4900 119.7632 54.2425 31.2291 177.1086 46 A 3.4744 8.0922 126.2669 55.0477 18.4567 179.8302 47 R 3.8162 7.6302 113.7694 59.1197 30.2565 177.5525 48 N 4.4266 7.9173 113.6977 54.2822 39.0423 174.8611 49 L 4.4359 7.1681 119.3912 52.8939 42.2339 177.4813 50 E 4.0045 8.7668 124.4092 58.6868 29.6453 178.4417 51 W 4.4227 7.8231 114.6366 58.5995 29.0523 176.8160 52 T 3.7933 6.6730 117.2410 62.9311 68.3255 175.1759 53 D 4.3501 8.7346 125.9345 57.8660 41.1722 177.9899 54 T 3.8528 8.1991 115.1469 66.7168 68.5278 175.4011 55 A 3.9788 7.6958 122.1890 54.9036 18.6901 177.5282 56 R 4.1168 7.7254 118.7548 56.5595 30.1516 176.2905 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 4 R 8.11 4.28 0.00 1.88 1.88 0.00 3.01 0.00 0.00 3.20 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.59 0.00 5 E 8.28 4.77 0.00 1.95 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 2.16 2.51 0.00 6 C 9.48 4.39 0.00 3.09 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 7 D 8.63 4.51 0.00 2.55 2.63 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 8 Y 6.87 4.34 0.00 2.81 2.92 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 9 C 8.14 3.92 0.00 3.08 3.39 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.34 4.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.72 4.34 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 1.33 0.00 0.00 12 D 8.52 4.95 0.00 2.61 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 13 I 8.49 4.14 1.90 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.60 0.97 0.00 0.00 14 E 8.97 3.92 0.00 2.06 1.88 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 2.40 2.39 0.00 15 P 0.00 4.24 0.00 2.22 2.08 0.00 3.89 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.00 0.00 16 G 9.88 3.89 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 0.00 0.00 0.00 17 T 7.54 4.52 4.59 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 1.25 0.00 0.00 18 G 9.42 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 0.00 0.00 0.00 19 T 8.43 4.77 4.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 20 M 8.77 4.99 0.00 1.99 1.87 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.42 0.00 21 F 9.41 4.74 0.00 3.31 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 22 V 7.62 4.31 1.85 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 0.73 0.00 0.00 0.84 0.00 0.00 23 H 9.16 4.17 0.00 3.34 3.22 0.00 5.69 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 K 8.80 3.84 0.00 1.74 1.88 0.00 1.80 0.00 0.00 1.78 0.00 0.00 3.03 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.44 1.45 7.81 25 D 8.00 4.41 0.00 2.82 2.80 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 0.00 26 G 7.73 3.52 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 0.00 0.00 0.00 27 A 8.50 4.21 1.21 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 0.00 0.00 28 T 8.41 5.04 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 1.19 0.00 0.00 29 T 9.03 4.67 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 0.61 0.00 0.00 30 H 10.27 5.02 0.00 3.13 3.27 0.00 5.76 0.00 0.00 0.00 0.00 6.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 F 9.56 5.35 0.00 2.98 3.08 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 32 C 9.05 4.49 0.00 3.16 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 33 S 7.58 4.63 0.00 4.04 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 34 S 8.39 4.73 0.00 3.98 4.11 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 35 K 8.10 3.71 0.00 1.75 1.86 0.00 1.40 0.00 0.00 1.46 0.00 0.00 2.13 0.00 0.00 2.35 0.00 0.00 0.00 0.00 1.43 1.37 7.81 36 C 7.79 4.36 0.00 3.11 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 37 E 7.63 2.77 0.00 1.69 1.21 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 1.47 2.24 0.00 38 N 8.36 4.22 0.00 2.79 2.79 0.00 0.00 7.11 6.96 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 39 N 8.10 4.44 0.00 3.10 3.17 0.00 0.00 6.86 7.69 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 40 A 7.69 4.28 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 41 D 7.91 4.54 0.00 2.67 2.65 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 42 L 7.27 4.33 0.00 1.86 1.73 0.95 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 43 G 8.55 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 0.00 0.00 0.00 44 R 7.41 4.18 0.00 2.24 2.00 0.00 3.26 0.00 0.00 3.37 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.68 0.00 45 E 8.49 4.62 0.00 1.96 1.78 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 2.33 2.29 0.00 46 A 8.09 3.47 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.63 3.82 0.00 1.72 1.91 0.00 3.13 0.00 0.00 3.16 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.54 0.00 48 N 7.92 4.43 0.00 2.79 2.84 0.00 0.00 6.98 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 49 L 7.17 4.44 0.00 1.03 0.91 1.15 0.88 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 50 E 8.77 4.00 0.00 2.02 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 0.00 2.30 2.30 0.00 51 W 7.82 4.42 0.00 3.56 3.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 T 6.67 3.79 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 0.94 0.00 0.00 53 D 8.73 4.35 0.00 2.76 2.72 0.00 0.00 0.00 0.00 0.00 0.00 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 8.20 3.85 3.99 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 1.06 0.00 0.00 55 A 7.70 3.98 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 56 R 7.73 4.12 0.00 1.94 1.83 0.00 3.21 0.00 0.00 3.28 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.77 0.00