NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.9057 8.3549 109.7327 45.4154 0.0000 173.1437 2 R 4.3496 8.3719 124.4026 54.3481 32.0338 174.3579 3 Q 4.5233 8.8265 120.2963 53.5542 33.6241 174.5907 4 F 4.2668 8.5086 120.0153 59.3907 39.4275 175.4410 5 G 4.0549 9.4477 112.9371 45.5636 0.0000 173.7204 6 H 4.9730 7.7173 113.4940 55.4844 29.5437 174.9061 7 L 4.0654 7.6653 120.0426 56.4465 41.9468 176.9573 8 T 4.3885 7.1598 110.5973 61.3038 70.3309 172.3932 9 R 4.3845 8.3248 124.3534 54.8196 30.8704 175.4476 10 V 4.4405 8.2333 124.1346 61.0056 34.3085 174.5444 11 R 4.4596 8.1173 124.8409 55.9181 33.1673 174.8562 12 H 4.1633 8.8955 116.9921 56.5063 25.7086 174.5013 13 V 4.2086 7.7385 119.0670 61.1346 32.4461 174.8084 14 I 4.0809 8.1933 128.4604 60.1270 38.1363 175.1055 15 T 4.4326 8.1032 121.9637 61.8148 70.2146 173.2969 16 Y 4.8038 8.4167 123.5807 56.3251 40.0554 175.3649 17 S 4.7528 8.4978 119.1216 56.6437 67.0329 172.9731 18 L 4.7231 8.1891 124.4046 52.6547 44.4605 176.0239 19 S 4.2030 8.6305 118.5478 58.1568 62.8717 173.7206 20 P 4.2017 0.0000 0.0000 65.6464 31.2303 178.2373 21 F 4.4441 8.0098 116.0047 59.3515 38.9921 175.5897 22 E 4.4364 7.8777 118.7515 56.6785 29.8112 175.5289 23 Q 4.5973 7.3709 114.3728 54.2856 31.9531 174.4056 24 R 4.1891 8.2786 117.3854 55.5353 30.9509 177.1673 25 A 3.8394 8.5495 125.2859 54.3021 19.1030 177.9256 26 F 4.8965 7.6428 112.6947 55.3262 38.9458 172.9717 27 P 4.2769 0.0000 0.0000 63.5508 32.6883 177.2921 28 H 4.1220 8.7911 122.2772 56.9023 26.4537 175.7497 29 Y 3.9575 7.9035 121.8885 60.6028 39.7817 177.5697 30 F 4.2998 8.0329 117.8776 59.8092 39.7614 178.1380 31 S 4.1989 8.3138 113.6338 60.5147 62.8990 174.8012 32 K 4.2591 8.2770 121.3170 57.3458 33.1080 178.2694 33 G 3.6594 8.0184 107.3431 47.0490 0.0000 175.4698 34 I 3.7091 7.7304 115.9496 62.9486 37.4711 176.2698 35 P 4.2503 0.0000 0.0000 65.4573 31.0103 178.3156 36 N 4.3195 7.8458 114.0323 56.3339 38.4976 177.7968 37 V 3.6086 7.6437 120.4404 64.8365 31.2643 178.3723 38 L 3.9460 7.9554 119.4931 57.6495 41.5047 179.4151 39 R 3.9194 8.1110 118.6146 59.4798 30.1240 178.8250 40 R 3.9488 8.3807 118.2865 59.3413 29.9731 179.0358 41 T 3.9358 8.2288 115.9400 66.7342 68.2982 176.3330 42 R 3.8511 7.7849 118.7591 59.7332 30.1131 178.1338 43 A 4.1679 7.8230 118.7589 54.1658 18.6380 178.2384 44 C 4.7255 7.7243 110.3738 58.2407 31.2312 176.0624 45 I 3.7060 7.9307 116.5125 64.5414 36.6296 178.0761 46 L 4.0220 7.8958 118.4077 56.6397 41.5323 178.9351 47 R 4.2218 7.8153 117.0466 58.5059 30.6144 178.3915 48 V 3.8847 7.7130 116.6814 65.6313 32.0438 177.5067 49 A 4.3698 8.3566 120.4933 55.0755 18.2574 177.8055 50 P 4.2952 0.0000 0.0000 65.2690 31.3338 177.0068 51 P 4.1988 0.0000 0.0000 65.5558 31.1705 178.6320 52 F 4.5412 8.1612 116.6127 60.6028 38.8732 178.0320 53 V 3.8204 8.1957 111.4670 64.7702 31.2109 178.3943 54 A 4.1875 8.0463 119.9935 54.7644 18.1460 179.5474 55 F 4.2507 8.5336 119.4997 61.7351 39.5034 176.4478 56 Y 3.7742 8.4770 119.5347 60.8884 38.5233 178.3728 57 L 3.8639 8.4618 120.0417 57.7874 41.6821 179.7280 58 V 3.7201 7.5729 118.2409 65.7490 31.5169 177.3782 59 Y 3.9320 8.1731 120.0417 60.9319 38.5693 178.4434 60 T 3.5105 7.7655 110.7915 64.1654 68.8441 176.1575 61 W 4.0428 8.2112 131.4510 60.2311 30.8116 178.1183 62 G 3.4485 8.3301 105.4794 48.0543 0.0000 175.7536 63 T 3.8089 7.4240 117.8385 66.3291 68.5136 176.9138 64 Q 3.8024 7.5086 119.5215 58.7725 28.6228 178.4861 65 E 3.5260 7.7349 120.5821 58.9893 29.6931 178.6555 66 F 4.0894 7.7305 120.0923 61.2575 39.2788 176.3523 67 E 3.5701 7.5884 117.4187 59.4194 29.4011 178.7413 68 K 4.0509 7.5275 116.0559 58.6019 32.2989 178.9545 69 S 4.1868 7.9983 113.2329 60.2661 62.5520 174.3979 70 K 4.3638 7.1261 119.6302 55.4182 33.3540 176.8358 71 R 4.5493 7.1420 115.9628 54.5856 34.2202 175.6011 72 K 4.4871 8.3117 121.0288 55.6960 33.9854 175.6767 73 N 4.9593 8.4440 112.6778 53.3398 44.0685 173.3687 74 P 4.9294 0.0000 0.0000 60.8249 33.9014 174.7245 75 A 4.2087 8.1585 120.9633 52.5819 19.2567 176.0876 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 G 8.35 3.91 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2 R 8.37 4.35 0.00 1.76 1.74 0.00 3.10 0.00 0.00 3.18 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.65 0.00 3 Q 8.83 4.52 0.00 2.06 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.96 7.06 0.00 0.00 0.00 0.00 0.00 2.35 2.34 0.00 4 F 8.51 4.27 0.00 3.07 3.01 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 5 G 9.45 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 6 H 7.72 4.97 0.00 3.28 3.21 0.00 5.67 0.00 0.00 0.00 0.00 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 L 7.67 4.07 0.00 1.59 1.59 0.50 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 8 T 7.16 4.39 4.23 0.00 0.00 0.00 0.00 0.00 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 9 R 8.32 4.38 0.00 1.80 1.81 0.00 3.22 0.00 0.00 3.14 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.59 0.00 10 V 8.23 4.44 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 0.89 0.00 0.00 0.93 0.00 0.00 11 R 8.12 4.46 0.00 1.55 1.23 0.00 3.29 0.00 0.00 3.17 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.53 0.00 12 H 8.90 4.16 0.00 3.34 3.43 0.00 5.66 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 V 7.74 4.21 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 0.81 0.00 0.00 0.93 0.00 0.00 14 I 8.19 4.08 1.68 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.46 0.04 0.00 0.00 15 T 8.10 4.43 4.16 0.00 0.00 0.00 0.00 0.00 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 16 Y 8.42 4.80 0.00 2.94 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 17 S 8.50 4.75 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 18 L 8.19 4.72 0.00 1.57 1.53 0.94 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 19 S 8.63 4.20 0.00 3.96 3.82 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 20 P 0.00 4.20 0.00 1.79 2.08 0.00 3.79 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.80 0.00 21 F 8.01 4.44 0.00 3.06 3.13 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 22 E 7.88 4.44 0.00 2.19 2.02 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 2.37 2.42 0.00 23 Q 7.37 4.60 0.00 2.12 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.82 0.00 0.00 0.00 0.00 0.00 2.33 2.26 0.00 24 R 8.28 4.19 0.00 1.80 1.89 0.00 3.17 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 1.63 1.62 0.00 25 A 8.55 3.84 0.89 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 26 F 7.64 4.90 0.00 2.82 2.74 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.28 0.00 2.18 2.05 0.00 3.95 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.96 0.00 28 H 8.79 4.12 0.00 3.43 3.39 0.00 5.82 0.00 0.00 0.00 0.00 8.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 Y 7.90 3.96 0.00 3.06 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 30 F 8.03 4.30 0.00 3.18 3.06 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 31 S 8.31 4.20 0.00 4.02 4.09 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 0.00 0.00 0.00 0.00 32 K 8.28 4.26 0.00 1.94 1.82 0.00 1.64 0.00 0.00 1.65 0.00 0.00 2.88 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.35 1.35 7.81 33 G 8.02 3.66 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 0.00 0.00 0.00 34 I 7.73 3.71 1.88 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 1.60 0.83 0.94 0.00 0.00 35 P 0.00 4.25 0.00 2.16 2.15 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 2.29 2.19 0.00 36 N 7.85 4.32 0.00 3.00 2.82 0.00 0.00 6.73 7.56 0.00 0.00 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 7.64 3.61 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 1.01 0.00 0.00 0.92 0.00 0.00 38 L 7.96 3.95 0.00 1.95 1.75 0.92 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 39 R 8.11 3.92 0.00 1.99 2.10 0.00 3.09 0.00 0.00 3.16 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.67 0.00 40 R 8.38 3.95 0.00 2.03 1.96 0.00 3.18 0.00 0.00 3.16 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.87 0.00 41 T 8.23 3.94 4.39 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 1.21 0.00 0.00 42 R 7.78 3.85 0.00 1.97 2.13 0.00 3.26 0.00 0.00 3.23 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.67 0.00 43 A 7.82 4.17 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 C 7.72 4.73 0.00 3.22 3.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 I 7.93 3.71 1.89 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 1.53 0.82 0.98 0.00 0.00 46 L 7.90 4.02 0.00 1.65 1.79 0.93 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 47 R 7.82 4.22 0.00 1.91 1.99 0.00 3.26 0.00 0.00 3.16 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.74 0.00 48 V 7.71 3.88 2.18 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 1.06 0.00 0.00 1.06 0.00 0.00 49 A 8.36 4.37 1.45 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 0.00 0.00 0.00 50 P 0.00 4.30 0.00 2.18 2.15 0.00 3.65 0.00 0.00 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.22 0.00 51 P 0.00 4.20 0.00 1.60 1.83 0.00 3.79 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 2.07 0.00 52 F 8.16 4.54 0.00 3.33 3.16 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.20 3.82 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 0.87 0.00 0.00 1.07 0.00 0.00 54 A 8.05 4.19 1.42 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 0.00 0.00 55 F 8.53 4.25 0.00 3.18 3.37 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 56 Y 8.48 3.77 0.00 3.05 3.20 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 0.00 0.00 0.00 0.00 57 L 8.46 3.86 0.00 1.71 1.71 0.97 0.85 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 58 V 7.57 3.72 2.22 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 1.09 0.00 0.00 0.97 0.00 0.00 59 Y 8.17 3.93 0.00 2.24 2.59 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 0.00 60 T 7.77 3.51 4.01 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 0.65 0.00 0.00 61 W 8.21 4.04 0.00 3.44 3.29 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 62 G 8.33 3.45 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 0.00 0.00 0.00 0.00 63 T 7.42 3.81 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 64 Q 7.51 3.80 0.00 2.09 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.81 0.00 0.00 0.00 0.00 0.00 2.26 2.30 0.00 65 E 7.73 3.53 0.00 1.16 1.12 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 1.56 2.03 0.00 66 F 7.73 4.09 0.00 3.03 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 67 E 7.59 3.57 0.00 2.10 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 2.19 2.21 0.00 68 K 7.53 4.05 0.00 1.75 1.74 0.00 1.67 0.00 0.00 1.55 0.00 0.00 2.94 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.37 1.42 7.81 69 S 8.00 4.19 0.00 3.96 3.82 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 70 K 7.13 4.36 0.00 1.49 1.59 0.00 1.62 0.00 0.00 1.64 0.00 0.00 3.07 0.00 0.00 2.72 0.00 0.00 0.00 0.00 1.14 0.97 7.81 71 R 7.14 4.55 0.00 1.80 1.70 0.00 3.12 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 1.44 1.53 0.00 72 K 8.31 4.49 0.00 1.71 1.74 0.00 1.70 0.00 0.00 1.68 0.00 0.00 2.77 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.37 1.42 7.81 73 N 8.44 4.96 0.00 2.63 2.77 0.00 0.00 6.71 8.02 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 74 P 0.00 4.93 0.00 2.12 2.00 0.00 3.43 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 2.03 0.00 75 A 8.16 4.21 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