NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4058 8.1627 118.3253 55.2340 33.6722 173.5867 2 Q 4.6559 8.3169 121.9632 52.8779 30.7511 172.7453 3 I 4.5831 9.1953 121.4923 59.0173 41.6591 173.9265 4 F 5.4531 8.4316 120.6941 55.8349 42.3240 175.0220 5 V 4.7439 8.9470 121.4159 61.2488 34.3379 174.0273 6 K 5.1272 9.4185 130.2747 55.0454 34.5661 175.2102 7 T 4.7879 8.4253 116.1401 59.4526 71.5924 174.8470 8 L 3.9644 8.7731 123.9881 58.5147 42.0978 178.4835 9 T 3.8931 7.8403 107.4227 64.1323 68.7382 174.5458 10 G 3.9571 7.6520 107.4324 44.6645 0.0000 173.4656 11 K 4.2062 7.9631 122.6559 56.4064 33.3503 175.5448 12 T 5.0315 8.4950 123.7941 61.9956 70.6271 173.7455 13 I 4.5266 8.9939 127.6088 59.6406 39.6563 175.1441 14 T 4.3921 8.7432 124.6083 63.4619 69.1925 173.9321 15 L 4.6997 9.0817 126.3354 52.8979 45.1683 175.5337 16 E 4.7140 8.7940 123.3115 55.5042 30.0856 175.1230 17 V 4.6391 8.8766 119.2535 59.6993 35.7367 174.5815 18 E 4.6279 8.7731 119.6556 54.6006 32.9661 174.7491 19 P 4.1917 0.0000 0.0000 65.8226 31.5296 178.3556 20 S 4.3656 7.8872 110.0306 59.5396 63.5403 173.9276 21 D 4.4613 8.2541 123.9030 54.1888 41.1225 176.4979 22 T 4.7866 8.2387 114.5827 61.2377 71.2270 175.7344 23 I 3.7568 8.1241 121.4734 64.3215 36.9758 178.4552 24 E 3.9223 8.1692 119.8958 59.1663 29.4802 178.4442 25 N 4.3194 7.9321 116.7586 56.2382 38.6218 177.5020 26 V 3.5584 7.5465 119.4126 66.0580 31.6689 178.1314 27 K 4.2332 8.5691 119.5129 58.9301 31.7677 179.1811 28 A 4.0439 8.0923 121.0033 55.0153 18.2971 179.8290 29 K 4.0366 8.2003 117.0162 59.3421 32.0472 179.6461 30 I 3.7740 7.8514 120.4887 64.1044 37.0789 178.1041 31 Q 4.0930 8.1906 120.6216 58.8801 28.6432 176.9580 32 D 4.6935 7.5834 116.9290 54.6755 40.9337 176.7025 33 K 4.4825 7.3553 116.3736 57.0148 34.4815 176.8216 34 E 4.4921 8.3283 114.5309 55.0447 31.3112 177.0047 35 G 3.8756 8.1028 106.4451 45.5556 0.0000 173.4208 36 I 4.0079 7.5313 120.9377 59.4100 37.7706 174.1884 37 P 4.3808 0.0000 0.0000 62.3481 31.1978 175.7310 38 P 4.3723 0.0000 0.0000 65.2880 31.5073 178.2645 39 D 4.4602 8.0750 116.8935 56.4587 41.2586 176.6594 40 Q 4.5788 8.1279 117.0487 55.6229 30.0810 174.8665 41 Q 4.9308 7.8265 118.6534 54.1468 31.8104 174.8192 42 R 4.6360 9.0172 121.8021 54.4221 33.8962 174.2082 43 L 5.0982 8.5500 123.8740 53.1512 44.1213 175.2755 44 I 4.9630 8.8926 125.3109 59.3999 39.9984 174.4746 45 F 4.8553 8.2380 128.7221 56.1757 41.1944 174.6854 46 A 3.2618 8.5875 130.7963 53.2469 15.2325 178.1826 47 G 3.9793 8.0064 106.5177 45.4885 0.0000 172.8213 48 K 4.7114 7.3899 117.4709 54.1474 35.8069 175.4279 49 Q 4.3576 8.4869 119.9584 55.9420 29.7121 175.6663 50 L 4.1448 8.1619 123.5696 53.0559 42.9286 176.0861 51 E 4.2835 8.5762 125.3586 55.4368 30.9443 176.0101 52 D 4.5149 8.6492 126.2724 55.9661 41.6556 174.9512 53 G 4.2744 9.0467 111.7967 46.2725 0.0000 174.7969 54 R 4.1348 7.6309 117.8839 55.5948 30.6854 176.6736 55 T 4.6685 8.2197 112.3982 61.0314 69.8087 175.7059 56 L 4.0779 8.6782 122.2952 57.8203 41.9706 180.0269 57 S 4.0765 8.0649 112.6692 61.3693 61.9789 175.8423 58 D 4.2307 7.6004 119.4285 56.7110 40.5346 177.3341 59 Y 4.4779 7.1231 115.0338 56.4041 39.1218 175.0216 60 N 4.1253 8.1481 116.7852 54.2388 36.6922 175.1316 61 I 3.5709 7.3022 118.2415 61.1044 37.8300 177.1334 62 Q 4.4417 7.6393 123.1739 54.0095 30.6510 175.3596 63 K 4.0323 8.3599 117.8948 58.4419 33.0316 176.3887 64 E 3.8419 8.5159 120.8823 57.5908 27.8621 174.2347 65 S 5.0420 7.9107 112.0502 57.1582 65.7578 172.9283 66 T 4.9923 8.7312 119.4215 63.0373 69.5806 174.1703 67 L 5.0768 9.2990 125.9037 53.6701 44.9348 174.8958 68 H 5.2384 9.2100 118.7604 54.0835 31.3472 173.2237 69 L 5.0188 9.0676 126.0708 53.5761 43.2518 175.4806 70 V 4.4506 8.9374 127.1004 61.0853 34.0198 174.0067 71 L 5.0893 8.5130 127.2171 53.1858 43.6840 176.2134 72 R 4.4444 8.4201 123.3128 54.9736 30.3032 175.9338 73 L 4.8342 8.3162 123.1826 52.6616 45.2413 176.5146 74 R 4.4479 8.4852 120.4308 55.0566 31.3732 177.0328 75 G 3.7298 8.4969 110.3154 45.7229 0.0000 172.3844 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 8.16 4.41 0.00 2.07 2.20 0.00 0.00 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.59 0.00 2 Q 8.32 4.66 0.00 2.09 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.76 0.00 0.00 0.00 0.00 0.00 1.64 2.08 0.00 3 I 9.20 4.58 1.91 0.00 0.00 0.79 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 0.68 0.84 0.00 0.00 4 F 8.43 5.45 0.00 3.04 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 5 V 8.95 4.74 2.12 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 0.96 0.00 0.00 0.95 0.00 0.00 6 K 9.42 5.13 0.00 1.74 1.46 0.00 1.59 0.00 0.00 1.63 0.00 0.00 2.78 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.31 1.32 7.81 7 T 8.43 4.79 4.25 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 1.22 0.00 0.00 8 L 8.77 3.96 0.00 1.61 1.77 0.93 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 9 T 7.84 3.89 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 10 G 7.65 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 11 K 7.96 4.21 0.00 2.00 1.69 0.00 1.61 0.00 0.00 1.65 0.00 0.00 3.05 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.44 1.43 7.81 12 T 8.49 5.03 4.19 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 1.18 0.00 0.00 13 I 8.99 4.53 1.91 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 1.25 0.84 0.94 0.00 0.00 14 T 8.74 4.39 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 1.19 0.00 0.00 15 L 9.08 4.70 0.00 1.58 1.46 0.90 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 16 E 8.79 4.71 0.00 1.81 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 2.21 2.24 0.00 17 V 8.88 4.64 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.60 0.00 0.00 0.88 0.00 0.00 18 E 8.77 4.63 0.00 2.01 1.69 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 2.18 2.27 0.00 19 P 0.00 4.19 0.00 2.19 2.08 0.00 3.62 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.07 0.00 20 S 7.89 4.37 0.00 3.96 3.97 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.25 4.46 0.00 2.83 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 22 T 8.24 4.79 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 1.27 0.00 0.00 23 I 8.12 3.76 1.89 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 1.71 1.00 0.94 0.00 0.00 24 E 8.17 3.92 0.00 2.04 1.95 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 2.38 2.40 0.00 25 N 7.93 4.32 0.00 2.96 2.84 0.00 0.00 6.61 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 26 V 7.55 3.56 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 0.96 0.00 0.00 27 K 8.57 4.23 0.00 1.98 1.85 0.00 1.87 0.00 0.00 1.91 0.00 0.00 3.05 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.63 1.42 7.81 28 A 8.09 4.04 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 29 K 8.20 4.04 0.00 2.00 1.85 0.00 1.64 0.00 0.00 1.62 0.00 0.00 2.92 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.44 1.60 7.81 30 I 7.85 3.77 2.16 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 1.41 0.71 0.96 0.00 0.00 31 Q 8.19 4.09 0.00 2.31 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.96 0.00 0.00 0.00 0.00 0.00 2.35 2.43 0.00 32 D 7.58 4.69 0.00 2.82 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 33 K 7.36 4.48 0.00 1.91 1.80 0.00 1.67 0.00 0.00 1.71 0.00 0.00 2.99 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.35 1.51 7.81 34 E 8.33 4.49 0.00 1.91 1.94 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 2.23 2.36 0.00 35 G 8.10 3.88 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 0.00 0.00 0.00 36 I 7.53 4.01 1.87 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.58 0.91 0.00 0.00 37 P 0.00 4.38 0.00 2.21 2.19 0.00 3.70 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.00 0.00 38 P 0.00 4.37 0.00 2.20 2.14 0.00 3.59 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.10 0.00 39 D 8.07 4.46 0.00 2.65 2.73 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 40 Q 8.13 4.58 0.00 2.14 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.77 0.00 0.00 0.00 0.00 0.00 2.29 2.32 0.00 41 Q 7.83 4.93 0.00 2.02 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.67 6.75 0.00 0.00 0.00 0.00 0.00 2.28 2.51 0.00 42 R 9.02 4.64 0.00 1.81 1.79 0.00 3.26 0.00 0.00 3.17 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.71 0.00 43 L 8.55 5.10 0.00 1.55 1.55 0.90 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 44 I 8.89 4.96 1.90 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 1.12 1.07 0.88 0.00 0.00 45 F 8.24 4.86 0.00 2.84 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 46 A 8.59 3.26 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.01 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 48 K 7.39 4.71 0.00 1.82 1.69 0.00 1.70 0.00 0.00 1.66 0.00 0.00 2.94 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.49 1.55 7.81 49 Q 8.49 4.36 0.00 1.94 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.65 6.82 0.00 0.00 0.00 0.00 0.00 2.35 2.39 0.00 50 L 8.16 4.14 0.00 1.37 1.23 0.75 -0.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 51 E 8.58 4.28 0.00 2.21 1.92 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 2.35 2.38 0.00 52 D 8.65 4.51 0.00 2.72 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 53 G 9.05 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 0.00 0.00 0.00 0.00 54 R 7.63 4.13 0.00 2.29 2.00 0.00 3.07 0.00 0.00 2.82 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.58 0.00 55 T 8.22 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 1.26 0.00 0.00 56 L 8.68 4.08 0.00 1.88 1.71 0.93 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 57 S 8.06 4.08 0.00 3.89 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 D 7.60 4.23 0.00 2.67 2.33 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 59 Y 7.12 4.48 0.00 2.87 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 60 N 8.15 4.13 0.00 2.89 2.89 0.00 0.00 6.95 8.29 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 61 I 7.30 3.57 1.64 0.00 0.00 0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.62 -0.36 0.73 0.00 0.00 62 Q 7.64 4.44 0.00 2.06 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.83 0.00 0.00 0.00 0.00 0.00 2.37 2.47 0.00 63 K 8.36 4.03 0.00 1.85 1.79 0.00 1.72 0.00 0.00 1.71 0.00 0.00 3.02 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.41 1.48 7.81 64 E 8.52 3.84 0.00 2.26 2.40 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 2.40 2.31 0.00 65 S 7.91 5.04 0.00 4.20 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 66 T 8.73 4.99 4.32 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 1.22 0.00 0.00 67 L 9.30 5.08 0.00 1.60 1.62 0.90 1.21 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 68 H 9.21 5.24 0.00 3.03 3.20 0.00 5.59 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 L 9.07 5.02 0.00 1.59 1.58 0.97 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 70 V 8.94 4.45 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 1.01 0.00 0.00 0.94 0.00 0.00 71 L 8.51 5.09 0.00 1.55 1.56 0.93 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 72 R 8.42 4.44 0.00 1.72 1.90 0.00 3.27 0.00 0.00 3.22 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.74 0.00 73 L 8.32 4.83 0.00 1.58 1.53 0.92 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 74 R 8.49 4.45 0.00 1.79 1.85 0.00 3.15 0.00 0.00 3.23 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.61 0.00 75 G 8.50 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