NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.7828 8.3544 109.7526 46.2196 0.0000 173.4827 2 S 3.5017 8.7821 121.8627 59.1384 60.1569 169.9960 3 H 5.0014 7.5451 117.4917 54.7102 30.7990 172.7381 4 T 4.2675 7.4152 118.8687 62.4996 74.2490 171.5116 5 P 4.5758 0.0000 0.0000 62.4582 32.3323 174.5616 6 D 5.4123 8.3206 117.9615 51.6279 42.0641 175.2923 7 E 4.8846 8.8998 117.0786 55.0030 33.5227 174.2395 8 S 5.3326 8.9694 117.7382 56.7782 67.0283 172.9402 9 F 5.4097 7.9050 117.5332 55.0753 41.1243 173.3370 10 L 4.9411 8.8349 125.0469 54.3597 43.5377 174.4464 11 C 5.5751 9.8868 124.4241 55.8270 44.1158 172.2191 12 Y 5.0024 8.9299 124.2086 56.0854 40.3797 174.1996 13 Q 5.5889 8.3261 125.0979 52.6228 31.5070 175.0596 14 P 4.9910 0.0000 0.0000 63.4313 31.5367 176.0515 15 D 4.4979 7.8261 118.6749 55.4073 43.2599 175.0233 16 Q 3.9437 6.8374 114.9604 55.2849 33.7712 172.6129 17 V 4.6025 8.8023 120.5058 62.0054 33.7114 173.9836 18 C 5.4309 9.0367 125.8503 55.3723 42.0554 172.1597 19 C 5.4339 8.3878 123.2712 54.9379 43.3651 172.4473 20 F 5.7994 8.5903 122.2480 54.7782 43.3019 173.6168 21 I 4.9415 8.0820 121.7565 59.2959 40.6488 175.5578 22 C 5.3314 8.8414 121.7566 56.4112 44.9027 173.4915 23 R 4.7517 9.0818 116.6094 55.0114 29.1938 175.0315 24 G 3.7175 7.9440 105.6155 45.0771 0.0000 172.4856 25 A 4.3759 7.1536 120.9628 53.8005 21.9389 175.2720 26 A 4.4066 8.1694 113.3358 50.8159 21.7267 175.0029 27 P 3.9483 0.0000 0.0000 62.4332 31.4973 176.0616 28 L 4.0777 8.4695 121.2895 55.3547 40.1911 175.2430 29 P 4.5826 0.0000 0.0000 62.6561 32.6282 174.4258 30 S 4.6967 8.4061 116.0339 59.3634 69.2972 176.6747 31 E 4.5767 8.0161 117.6908 54.9993 30.0624 175.7277 32 G 4.9142 7.5982 108.3967 46.7744 0.0000 172.2284 33 E 4.9480 7.7248 117.3977 56.0843 32.8780 175.2185 34 C 5.5816 8.4706 114.1998 57.0939 38.8897 173.1019 35 N 5.3847 9.1927 117.2848 50.6038 43.1219 172.3348 36 P 4.6116 0.0000 0.0000 63.8221 31.8762 176.5254 37 H 4.7649 9.2195 122.1520 54.9762 31.3487 171.6453 38 P 4.2394 0.0000 0.0000 65.1134 31.9099 176.2374 39 T 4.6600 7.4133 115.5156 64.8467 72.0319 172.6054 40 A 4.6923 8.1217 125.8719 51.2594 21.1521 176.1737 41 P 4.3784 0.0000 0.0000 64.6063 31.6721 178.5376 42 W 4.4139 8.1130 127.1901 60.2026 30.9518 177.9461 43 C 3.3690 8.3397 117.9607 59.9981 42.6506 175.6638 44 R 3.5710 7.4789 118.1021 59.1996 29.7183 177.4209 45 E 4.1324 7.7515 118.5063 58.7146 29.5795 177.5803 46 G 3.8123 7.3050 101.9316 44.5889 0.0000 172.5794 47 A 4.5364 8.0612 125.1137 50.1217 17.3394 177.1550 48 V 4.2453 7.1630 116.0474 62.2319 32.6654 175.0264 49 E 4.7194 7.9656 114.9558 53.5415 31.9743 174.3575 50 W 5.2133 8.7401 132.3875 56.1495 32.6036 175.5022 51 V 3.7354 7.9856 125.7476 58.7144 33.8391 172.7845 52 P 4.2295 0.0000 0.0000 62.2956 32.0722 174.9280 53 Y 4.6005 8.6500 126.4257 55.2630 40.3772 175.9228 54 S 4.1355 8.7095 122.8676 61.8519 62.8228 176.1231 55 T 4.0518 8.0078 109.7877 63.8572 69.2360 173.6292 56 G 4.1374 7.9482 107.5897 45.5663 0.0000 172.0625 57 Q 5.3683 8.5121 121.3899 56.2616 30.1643 175.6218 58 C 5.5882 9.1607 123.7088 55.7117 45.5040 172.5538 59 R 4.8333 8.4616 117.3248 55.9619 33.5578 173.5063 60 T 4.2903 7.9960 120.9283 60.4247 69.4350 172.7464 61 T 4.4517 7.2897 121.8148 60.6261 71.5792 171.1826 62 C 5.3728 8.2069 122.0579 56.6282 42.6045 172.3037 63 I 4.7206 8.4459 115.8759 59.0220 41.0213 172.1092 64 P 4.4474 0.0000 0.0000 62.8129 32.1549 177.6387 65 Y 4.8755 8.0377 117.4150 57.9854 37.2147 176.2317 66 V 4.6765 8.5356 119.8834 60.5525 34.3339 175.1056 67 E 4.2494 8.8054 124.3683 56.2280 29.5993 175.2331 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 3.78 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 0.00 0.00 0.00 2 S 8.78 3.50 0.00 4.08 3.85 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 0.00 0.00 0.00 0.00 3 H 7.55 5.00 0.00 3.12 3.22 0.00 5.98 0.00 0.00 0.00 0.00 8.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 T 7.42 4.27 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 1.23 0.00 0.00 5 P 0.00 4.58 0.00 2.23 2.06 0.00 3.78 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 2.00 1.96 0.00 6 D 8.32 5.41 0.00 2.75 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 7 E 8.90 4.88 0.00 2.16 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 0.00 2.27 2.45 0.00 8 S 8.97 5.33 0.00 4.05 3.77 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 9 F 7.91 5.41 0.00 3.15 3.10 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 10 L 8.83 4.94 0.00 2.01 1.77 1.08 0.95 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 11 C 9.89 5.58 0.00 3.40 3.42 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 12 Y 8.93 5.00 0.00 3.13 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 13 Q 8.33 5.59 0.00 2.07 2.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.81 6.89 0.00 0.00 0.00 0.00 0.00 2.50 2.31 0.00 14 P 0.00 4.99 0.00 2.08 2.22 0.00 3.76 0.00 0.00 4.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.14 0.00 15 D 7.83 4.50 0.00 2.46 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 16 Q 6.84 3.94 0.00 1.91 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.56 0.00 0.00 0.00 0.00 0.00 2.25 2.12 0.00 17 V 8.80 4.60 2.08 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 1.10 0.00 0.00 1.17 0.00 0.00 18 C 9.04 5.43 0.00 3.33 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 19 C 8.39 5.43 0.00 3.46 2.64 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 20 F 8.59 5.80 0.00 2.07 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 21 I 8.08 4.94 1.84 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 2.02 0.90 0.00 0.00 22 C 8.84 5.33 0.00 3.04 3.18 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 23 R 9.08 4.75 0.00 1.93 1.82 0.00 3.42 0.00 0.00 3.45 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.71 0.00 24 G 7.94 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 25 A 7.15 4.38 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 A 8.17 4.41 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 3.95 0.00 1.92 1.93 0.00 3.93 0.00 0.00 3.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.30 0.00 28 L 8.47 4.08 0.00 1.82 1.86 0.95 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 29 P 0.00 4.58 0.00 2.20 2.05 0.00 3.80 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.90 0.00 30 S 8.41 4.70 0.00 3.81 3.85 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 0.00 0.00 0.00 0.00 31 E 8.02 4.58 0.00 2.20 2.16 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 2.34 2.32 0.00 32 G 7.60 4.91 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 33 E 7.72 4.95 0.00 2.09 2.19 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 2.42 2.40 0.00 34 C 8.47 5.58 0.00 2.92 3.09 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 35 N 9.19 5.38 0.00 2.66 2.68 0.00 0.00 7.17 7.61 0.00 0.00 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 P 0.00 4.61 0.00 2.12 2.12 0.00 3.84 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.99 0.00 37 H 9.22 4.76 0.00 3.22 3.28 0.00 5.81 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 38 P 0.00 4.24 0.00 2.18 2.08 0.00 3.70 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.23 0.00 39 T 7.41 4.66 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 40 A 8.12 4.69 1.26 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 0.00 0.00 0.00 41 P 0.00 4.38 0.00 2.11 2.18 0.00 3.77 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.19 0.00 42 W 8.11 4.41 0.00 3.38 3.27 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 43 C 8.34 3.37 0.00 2.96 2.96 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 44 R 7.48 3.57 0.00 1.76 1.89 0.00 3.35 0.00 0.00 3.10 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.62 0.00 45 E 7.75 4.13 0.00 2.30 1.99 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 2.34 2.35 0.00 46 G 7.30 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 0.00 0.00 0.00 0.00 47 A 8.06 4.54 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.16 4.25 2.04 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 0.93 0.00 0.00 0.86 0.00 0.00 49 E 7.97 4.72 0.00 2.04 1.84 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 2.12 2.13 0.00 50 W 8.74 5.21 0.00 3.32 3.03 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 0.00 0.00 0.00 0.00 51 V 7.99 3.74 1.89 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 0.69 0.00 0.00 0.79 0.00 0.00 52 P 0.00 4.23 0.00 2.06 2.11 0.00 3.23 0.00 0.00 2.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.75 0.00 53 Y 8.65 4.60 0.00 3.06 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 54 S 8.71 4.14 0.00 3.94 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 0.00 55 T 8.01 4.05 4.54 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 1.26 0.00 0.00 56 G 7.95 4.14 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 0.00 0.00 0.00 57 Q 8.51 5.37 0.00 2.07 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.66 0.00 0.00 0.00 0.00 0.00 2.83 1.47 0.00 58 C 9.16 5.59 0.00 2.89 2.94 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 0.00 0.00 0.00 59 R 8.46 4.83 0.00 2.01 1.90 0.00 3.27 0.00 0.00 3.22 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.71 0.00 60 T 8.00 4.29 4.54 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 1.21 0.00 0.00 61 T 7.29 4.45 3.76 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 0.34 0.00 0.00 62 C 8.21 5.37 0.00 2.85 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 63 I 8.45 4.72 2.01 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.40 1.26 0.00 0.00 64 P 0.00 4.45 0.00 2.18 2.12 0.00 3.81 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 2.01 2.02 0.00 65 Y 8.04 4.88 0.00 2.99 2.67 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.54 4.68 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 0.76 0.00 0.00 0.91 0.00 0.00 67 E 8.81 4.25 0.00 1.91 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 2.20 2.28 0.00