NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.5023 8.1233 123.6046 52.3713 19.4375 177.0900 2 T 4.1712 7.8598 116.8358 61.9468 67.6184 170.3553 3 C 4.9994 8.3193 126.9988 55.7264 45.7223 173.2582 4 D 4.2714 8.5678 123.1065 53.7920 45.8078 176.2665 5 L 3.6559 8.3277 117.4608 56.1348 40.2311 175.0661 6 A 4.2045 7.7120 120.0730 55.0824 18.7586 179.3241 7 S 4.4447 7.6773 111.8406 58.0914 64.7963 173.3340 8 K 3.9638 9.4261 128.2962 55.1711 30.1958 177.2342 9 W 4.4667 7.2572 113.1078 55.6429 28.3798 173.4679 10 N 4.6643 8.8758 122.8818 54.1977 40.7858 178.1802 11 W 4.1337 8.8475 134.0408 57.3550 31.5584 178.6288 12 N 3.1400 8.5642 116.5430 54.2459 38.1555 174.4125 13 H 4.3034 5.2900 114.5460 58.6713 30.1647 176.8344 14 T 4.1142 7.6169 117.3747 66.1068 68.7902 174.1380 15 L 4.3638 7.3608 120.3181 55.6547 46.1567 177.2317 16 C 4.2491 8.0581 118.6891 59.5584 43.9875 175.4034 17 A 3.5689 8.0217 122.2906 54.6545 17.8483 179.1470 18 A 3.8515 7.3672 118.3615 55.7131 18.1918 179.3275 19 H 4.0700 7.8595 115.8895 59.7822 29.8906 176.9963 20 C 4.2872 7.9420 117.7610 59.8156 39.8111 175.9695 21 I 4.4489 7.9325 122.1858 63.9811 36.7827 177.9990 22 A 4.1010 7.8523 120.3789 55.0050 18.1793 179.4272 23 R 3.9598 7.6585 116.6556 57.5500 30.4103 178.3477 24 R 5.4492 7.4924 126.7425 57.5007 30.2235 174.1169 25 Y 4.2628 7.2705 116.9181 57.1162 38.8689 176.4022 26 R 4.0185 8.2794 122.0207 57.9764 31.6606 178.4678 27 G 4.1759 7.3437 107.4369 45.6201 0.0000 175.4679 28 G 4.2239 7.8363 109.3693 43.9483 0.0000 172.5976 29 Y 3.5425 7.2795 122.4864 56.4912 38.7184 176.2364 30 C 4.8869 8.7464 118.4072 56.3216 40.8193 173.4976 31 N 4.9520 8.9439 124.2197 53.0811 39.3818 176.1388 32 S 4.1950 8.5924 119.8809 61.5768 62.9798 175.5543 33 K 4.2870 8.3414 116.9705 56.6673 32.8657 176.2245 34 A 3.6916 7.8269 119.2019 54.4122 16.6125 178.4056 35 V 4.5615 7.6848 119.5887 61.9509 34.1267 173.3999 36 C 5.0617 8.4539 122.5911 53.1355 41.7422 171.2412 37 V 3.4496 7.1981 126.0617 63.3280 32.4413 175.2269 38 C 4.5089 8.3438 125.8771 57.8489 41.6554 173.5582 39 R 4.8312 8.9156 118.9958 55.3108 32.9099 174.8863 40 N 4.6574 8.9037 118.2463 53.8839 39.0643 174.5537 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 A 8.12 4.50 1.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2 T 7.86 4.17 4.49 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 3 C 8.32 5.00 0.00 3.21 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 4 D 8.57 4.27 0.00 2.72 2.76 0.00 0.00 0.00 0.00 0.00 0.00 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 8.33 3.66 0.00 2.01 1.74 0.94 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 6 A 7.71 4.20 1.40 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 0.00 0.00 7 S 7.68 4.44 0.00 3.87 3.78 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 0.00 0.00 0.00 8 K 9.43 3.96 0.00 1.57 0.87 0.00 1.53 0.00 0.00 1.61 0.00 0.00 2.83 0.00 0.00 2.81 0.00 0.00 0.00 0.00 0.97 1.07 7.81 9 W 7.26 4.47 0.00 3.27 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 10 N 8.88 4.66 0.00 2.89 2.92 0.00 0.00 7.38 8.05 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 11 W 8.85 4.13 0.00 3.54 2.50 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.56 3.14 0.00 2.60 1.98 0.00 0.00 6.01 6.35 0.00 0.00 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 5.29 4.30 0.00 3.20 3.29 0.00 5.75 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 T 7.62 4.11 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 1.32 0.00 0.00 15 L 7.36 4.36 0.00 1.82 1.85 1.02 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 0.00 0.00 0.00 0.00 0.00 0.00 16 C 8.06 4.25 0.00 2.91 2.42 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.02 3.57 1.10 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 0.00 0.00 18 A 7.37 3.85 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 19 H 7.86 4.07 0.00 3.24 3.42 0.00 5.79 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 C 7.94 4.29 0.00 3.05 3.04 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 0.00 0.00 0.00 21 I 7.93 4.45 1.99 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.03 0.89 0.00 0.00 22 A 7.85 4.10 1.32 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 0.00 0.00 23 R 7.66 3.96 0.00 1.72 2.33 0.00 3.48 0.00 0.00 3.29 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.84 0.00 24 R 7.49 5.45 0.00 1.88 1.99 0.00 2.97 0.00 0.00 2.90 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.69 0.00 25 Y 7.27 4.26 0.00 3.11 2.95 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.28 4.02 0.00 2.15 2.22 0.00 3.50 0.00 0.00 3.32 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.63 0.00 27 G 7.34 4.18 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 0.00 0.00 0.00 0.00 0.00 0.00 28 G 7.84 4.22 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 0.00 0.00 0.00 29 Y 7.28 3.54 0.00 3.21 3.02 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 30 C 8.75 4.89 0.00 3.26 3.60 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 31 N 8.94 4.95 0.00 3.06 2.92 0.00 0.00 7.06 7.91 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 32 S 8.59 4.20 0.00 3.96 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 33 K 8.34 4.29 0.00 1.87 1.90 0.00 1.75 0.00 0.00 1.73 0.00 0.00 3.01 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.68 1.47 7.81 34 A 7.83 3.69 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 35 V 7.68 4.56 2.13 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 1.11 0.00 0.00 1.00 0.00 0.00 36 C 8.45 5.06 0.00 2.59 2.52 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 37 V 7.20 3.45 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 0.00 0.00 0.72 0.00 0.00 0.76 0.00 0.00 38 C 8.34 4.51 0.00 2.10 1.64 0.00 0.00 0.00 0.00 0.00 0.00 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 8.92 4.83 0.00 1.95 1.94 0.00 2.77 0.00 0.00 3.17 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.47 0.00 40 N 8.90 4.66 0.00 2.71 2.77 0.00 0.00 6.90 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00