NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4848 8.1627 118.3252 55.3034 33.4799 173.2373 2 Q 4.8095 8.2068 119.1670 52.4504 32.5079 172.3615 3 I 4.5592 9.1653 119.5777 59.0768 42.4248 173.1644 4 F 5.4823 8.6962 119.6700 55.6618 42.8411 174.9576 5 V 4.8124 8.6215 121.4773 61.1517 34.1537 174.0376 6 K 5.1056 8.8875 129.3336 55.0998 35.2674 175.3019 7 T 4.9978 8.3095 122.5155 61.8918 71.1511 175.5259 8 L 4.2348 8.5048 121.3834 56.8768 42.0006 178.6855 9 T 3.9080 7.7742 112.8934 63.6207 67.5261 174.2790 10 G 4.0530 8.0540 109.0472 45.2721 0.0000 174.2321 11 K 3.8045 8.2343 120.8639 57.7028 33.1124 175.6417 12 T 4.8333 8.4849 122.6813 62.0861 71.7933 173.2441 13 I 4.6527 8.4148 120.3881 59.3695 40.9344 174.3587 14 T 5.1878 8.3615 111.1137 59.9380 71.5879 173.2704 15 L 4.8110 8.4699 122.7829 52.9411 45.8612 175.0954 16 E 4.8295 8.6963 123.0630 55.0305 30.4601 175.1351 17 V 4.6209 8.5658 119.6278 59.6177 36.1682 174.7145 18 E 4.8006 8.6310 120.4087 53.7521 31.7522 176.0238 19 P 4.4279 0.0000 0.0000 65.6468 31.2062 177.4654 20 S 4.7738 7.8951 111.5607 58.0760 63.3568 173.4111 21 D 4.6167 8.3535 122.5641 54.2574 41.6381 176.4367 22 T 4.7293 8.3061 113.5799 61.1719 71.4026 176.0339 23 I 3.7437 8.2052 122.6398 64.2455 37.0093 178.4237 24 E 3.9238 8.0966 120.0514 59.4263 29.4889 178.5196 25 N 4.2413 8.0518 116.1821 56.4154 38.4548 177.2195 26 V 3.5715 7.6176 118.3498 66.2693 31.7280 177.8079 27 K 4.4810 8.6658 119.2916 59.0213 31.8374 179.1861 28 A 4.0017 7.9553 120.5010 54.6141 17.1648 179.1716 29 K 4.1443 8.0990 116.1076 58.1058 32.3448 178.7347 30 I 4.2370 7.7915 120.3716 63.1586 37.4608 177.6797 31 Q 4.3005 7.7569 121.5358 58.4606 28.7547 177.5519 32 D 4.4354 7.8806 119.8161 56.0472 40.9427 177.6428 33 K 4.5381 7.4632 116.3668 56.6273 34.0772 176.8104 34 E 4.6239 8.2572 118.5011 54.9448 31.0741 177.4346 35 G 4.0385 7.9873 106.1479 45.5245 0.0000 173.8582 36 I 3.9243 7.1972 120.8866 59.9884 37.7652 174.0037 37 P 4.4266 0.0000 0.0000 61.9910 32.0440 175.7818 38 P 4.2924 0.0000 0.0000 65.7668 31.4819 177.5953 39 D 4.6539 8.0906 115.2086 54.3236 39.4525 176.1260 40 Q 4.6136 7.9483 118.0130 55.9874 30.7964 175.2547 41 Q 4.6472 8.1316 119.7423 55.3620 30.8030 175.4053 42 R 4.7242 8.7238 121.1205 54.7402 34.1382 174.0297 43 L 5.1785 8.5410 124.1416 53.2742 44.3078 175.7228 44 I 5.0942 8.8960 123.2476 59.6690 41.4261 174.4960 45 F 5.0549 9.1735 127.5111 57.1324 42.8995 174.1047 46 A 3.4955 8.5627 129.3811 53.6023 15.5148 177.0612 47 G 3.9617 8.0347 104.5943 45.9475 0.0000 172.9488 48 K 4.6358 7.4730 118.1365 54.0572 34.9994 175.5947 49 Q 4.5733 8.5319 121.6437 56.0024 29.3971 175.5193 50 L 4.3988 8.4135 122.8504 53.3022 44.2522 175.6583 51 E 4.6183 9.3963 121.2621 54.9048 31.4677 176.8801 52 D 4.5311 9.2064 124.1398 57.8054 41.3053 179.7312 53 G 3.5320 8.1795 106.1157 48.4793 0.0000 174.3221 54 R 4.1068 7.4815 118.2863 56.3899 30.3099 175.7808 55 T 5.0101 8.0702 108.8946 59.6075 71.4073 175.7744 56 L 4.0375 8.8459 122.4932 58.1163 41.9831 179.7744 57 S 4.0821 8.4371 113.3969 61.5877 62.4633 175.9313 58 D 4.2314 7.8037 118.4706 57.5982 40.4711 177.1139 59 Y 4.3895 7.5514 112.2303 57.2974 38.6044 174.7289 60 N 4.1602 8.0171 117.7103 54.5257 37.3177 174.5019 61 I 4.0300 7.8810 118.9570 60.0327 38.1977 176.7252 62 Q 4.4524 8.1978 125.7181 54.0976 30.9080 174.9680 63 R 4.0084 8.2212 114.9698 57.7671 29.9657 175.9512 64 E 3.4441 9.8994 118.7593 57.4232 27.8178 174.8252 65 S 4.5777 7.4743 114.2043 58.7832 64.4130 173.3994 66 T 5.1348 8.7230 119.5142 62.2109 69.9924 174.0157 67 L 4.9984 9.0320 127.1480 53.6862 44.6903 175.2225 68 H 5.4177 9.3782 118.4389 54.0375 31.6421 173.0211 69 L 5.2051 9.0702 124.6465 53.5232 44.5160 175.7789 70 V 4.5453 8.5740 123.8599 61.5547 35.2284 173.4139 71 L 5.2371 8.4476 126.7306 53.1649 44.0756 176.4704 72 R 4.2694 8.6561 121.8219 56.2053 30.9385 176.2089 73 L 4.4928 8.4223 118.2262 56.3658 43.2881 178.5475 74 R 3.8918 7.9085 116.4994 57.4863 30.5567 173.9538 75 G 3.7164 8.1268 120.3301 44.5595 0.0000 173.6268 76 G 3.8577 8.6620 113.5007 45.5253 0.0000 171.7912 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 4.48 0.00 2.07 2.22 0.00 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.64 0.00 2 Q 8.21 4.81 0.00 2.07 1.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.66 0.00 0.00 0.00 0.00 0.00 1.90 2.29 0.00 3 I 9.17 4.56 1.84 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.47 0.75 0.00 0.00 4 F 8.70 5.48 0.00 3.07 2.84 0.00 0.00 0.00 0.00 0.00 0.00 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 8.62 4.81 2.11 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 0.96 0.00 0.00 0.93 0.00 0.00 6 K 8.89 5.11 0.00 1.83 1.51 0.00 1.62 0.00 0.00 1.65 0.00 0.00 2.87 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.36 1.52 7.81 7 T 8.31 5.00 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 1.24 0.00 0.00 8 L 8.50 4.23 0.00 1.62 1.72 0.97 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 9 T 7.77 3.91 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 1.25 0.00 0.00 10 G 8.05 4.05 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 0.00 0.00 0.00 11 K 8.23 3.80 0.00 1.89 1.74 0.00 1.55 0.00 0.00 1.82 0.00 0.00 3.06 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.52 1.58 7.81 12 T 8.48 4.83 4.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 13 I 8.41 4.65 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 1.48 0.74 0.93 0.00 0.00 14 T 8.36 5.19 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 1.52 0.00 0.00 15 L 8.47 4.81 0.00 1.54 1.51 0.89 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 16 E 8.70 4.83 0.00 1.91 1.83 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 2.18 2.34 0.00 17 V 8.57 4.62 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 0.69 0.00 0.00 0.85 0.00 0.00 18 E 8.63 4.80 0.00 2.07 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.34 0.00 19 P 0.00 4.43 0.00 2.19 2.31 0.00 3.66 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 2.06 1.96 0.00 20 S 7.90 4.77 0.00 3.98 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 8.35 4.62 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 22 T 8.31 4.73 4.46 0.00 0.00 0.00 0.00 0.00 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 8.21 3.74 2.18 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 1.72 1.24 0.92 0.00 0.00 24 E 8.10 3.92 0.00 2.19 1.96 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 2.31 2.51 0.00 25 N 8.05 4.24 0.00 3.03 2.84 0.00 0.00 6.69 7.66 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 26 V 7.62 3.57 2.06 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 0.80 0.00 0.00 0.90 0.00 0.00 27 K 8.67 4.48 0.00 2.10 1.85 0.00 1.74 0.00 0.00 1.75 0.00 0.00 2.99 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.60 1.32 7.81 28 A 7.96 4.00 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 29 K 8.10 4.14 0.00 1.96 1.84 0.00 1.63 0.00 0.00 1.62 0.00 0.00 2.93 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.43 1.63 7.81 30 I 7.79 4.24 2.20 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 1.02 0.95 0.00 0.00 31 Q 7.76 4.30 0.00 2.19 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.90 0.00 0.00 0.00 0.00 0.00 2.42 2.35 0.00 32 D 7.88 4.44 0.00 2.63 2.71 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 33 K 7.46 4.54 0.00 2.05 1.88 0.00 1.54 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.55 1.43 7.81 34 E 8.26 4.62 0.00 2.17 1.97 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 2.21 2.45 0.00 35 G 7.99 4.04 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 0.00 0.00 0.00 36 I 7.20 3.92 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 1.30 1.26 0.91 0.00 0.00 37 P 0.00 4.43 0.00 2.17 1.98 0.00 3.60 0.00 0.00 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.08 0.00 38 P 0.00 4.29 0.00 2.22 2.31 0.00 3.69 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 2.07 1.95 0.00 39 D 8.09 4.65 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 40 Q 7.95 4.61 0.00 1.98 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.80 6.98 0.00 0.00 0.00 0.00 0.00 2.27 2.30 0.00 41 Q 8.13 4.65 0.00 2.17 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.01 6.76 0.00 0.00 0.00 0.00 0.00 2.36 2.53 0.00 42 R 8.72 4.72 0.00 1.91 1.78 0.00 3.40 0.00 0.00 3.19 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.73 0.00 43 L 8.54 5.18 0.00 1.55 1.53 0.90 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 44 I 8.90 5.09 1.92 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 1.11 0.68 0.96 0.00 0.00 45 F 9.17 5.05 0.00 2.96 2.77 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 0.00 0.00 0.00 46 A 8.56 3.50 0.97 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 0.00 0.00 47 G 8.03 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 48 K 7.47 4.64 0.00 1.91 1.67 0.00 1.75 0.00 0.00 1.75 0.00 0.00 3.00 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.35 1.58 7.81 49 Q 8.53 4.57 0.00 1.94 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.68 6.82 0.00 0.00 0.00 0.00 0.00 2.35 2.38 0.00 50 L 8.41 4.40 0.00 1.35 1.09 0.70 0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 51 E 9.40 4.62 0.00 2.01 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 2.40 2.53 0.00 52 D 9.21 4.53 0.00 2.76 2.77 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 0.00 0.00 0.00 53 G 8.18 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.48 4.11 0.00 2.06 1.68 0.00 3.22 0.00 0.00 3.17 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.49 0.00 55 T 8.07 5.01 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 1.20 0.00 0.00 56 L 8.85 4.04 0.00 1.84 1.70 0.86 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 57 S 8.44 4.08 0.00 3.98 3.86 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 58 D 7.80 4.23 0.00 2.66 2.34 0.00 0.00 0.00 0.00 0.00 0.00 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 7.55 4.39 0.00 3.06 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 60 N 8.02 4.16 0.00 2.91 2.99 0.00 0.00 7.04 8.80 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 61 I 7.88 4.03 1.67 0.00 0.00 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 0.45 0.46 0.00 0.00 62 Q 8.20 4.45 0.00 2.09 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.80 7.10 0.00 0.00 0.00 0.00 0.00 2.46 2.32 0.00 63 R 8.22 4.01 0.00 1.84 1.88 0.00 3.15 0.00 0.00 3.21 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.63 0.00 64 E 9.90 3.44 0.00 2.18 2.25 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 2.40 2.06 0.00 65 S 7.47 4.58 0.00 3.73 3.54 0.00 0.00 0.00 0.00 0.00 0.00 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 8.72 5.13 4.36 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 1.23 0.00 0.00 67 L 9.03 5.00 0.00 1.65 1.57 0.81 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 68 H 9.38 5.42 0.00 3.04 3.19 0.00 5.57 0.00 0.00 0.00 0.00 6.78 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 5.21 0.00 1.57 1.65 0.98 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 70 V 8.57 4.55 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 0.88 0.00 0.00 0.94 0.00 0.00 71 L 8.45 5.24 0.00 1.53 1.55 0.93 0.96 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 72 R 8.66 4.27 0.00 1.67 1.89 0.00 3.29 0.00 0.00 3.23 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.76 0.00 73 L 8.42 4.49 0.00 1.61 1.68 0.92 0.88 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 74 R 7.91 3.89 0.00 1.80 1.95 0.00 3.32 0.00 0.00 3.23 7.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.62 0.00 75 G 8.13 3.72 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 0.00 0.00 0.00 76 G 8.66 3.86 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 0.00 0.00 0.00