NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -1 H 4.5569 8.4331 116.3218 54.5455 30.1373 172.9000 0 G 3.8615 9.2730 115.4863 42.7592 0.0000 172.3182 1 S 4.5674 7.7495 113.3331 56.0157 67.2168 173.5238 2 A 4.0070 8.5927 122.6419 55.0849 18.1439 179.8493 3 S 4.0334 8.1342 110.9353 60.8715 62.8427 174.9930 4 F 4.6786 7.9701 116.6828 56.9419 39.3966 175.3291 5 L 4.5727 7.5123 121.1358 52.8272 42.8551 176.6647 6 K 4.1371 8.5987 121.5398 56.4437 32.5331 177.2350 7 K 4.2229 8.9360 126.2449 58.8527 32.5603 176.5698 8 T 5.1434 7.5550 105.7172 60.0356 72.0578 172.4967 9 M 4.8989 8.8304 122.3565 53.5043 35.6404 172.8453 10 P 5.0313 0.0000 0.0000 62.7902 33.0276 175.1032 11 F 5.1437 8.3636 114.3406 55.6206 41.5488 173.3335 12 K 5.2215 8.7688 118.2758 55.1671 35.9392 175.4507 13 T 4.8489 8.9710 116.4664 60.8608 71.5047 172.5154 14 T 5.1682 8.5264 121.6543 61.8404 72.1433 173.3164 15 I 4.6390 8.9228 126.5605 59.4314 40.6777 174.1717 16 E 4.5883 8.4323 126.7525 54.6185 32.8721 174.5639 17 G 3.8872 6.9996 111.9518 46.2960 0.0000 171.8606 18 T 5.3721 8.3684 108.8655 59.8797 71.7518 173.3363 19 V 4.2192 8.6677 124.2832 62.1286 33.8682 175.0723 20 N 4.3000 9.9729 125.3998 54.4680 36.0814 175.2400 21 G 3.9274 8.5309 103.1830 45.7612 0.0000 172.9704 22 H 4.9159 8.2134 120.5177 54.2516 30.7386 173.1237 23 Y 4.9058 8.4333 128.2815 57.2378 39.8609 173.6464 24 F 4.9276 7.1757 119.8422 55.4479 42.0158 172.8999 25 K 4.8916 8.8803 120.3225 55.0048 35.7401 174.7440 26 C 5.5852 9.5698 123.5527 58.2203 32.5972 173.0015 27 T 5.2077 8.7571 110.7909 60.3364 72.1996 172.8721 28 G 4.6251 8.6739 107.8322 45.2810 0.0000 172.0640 29 K 5.1249 8.9868 120.1132 54.8264 36.9909 175.8704 30 G 3.6750 8.0305 109.7305 45.5339 0.0000 171.3009 31 E 5.0139 8.6796 117.8757 54.7499 34.2746 175.3259 32 G 4.4934 9.0322 108.9503 45.0508 0.0000 170.8462 33 N 5.6590 9.3095 119.2620 50.3515 39.3690 173.5473 34 P 4.1124 0.0000 0.0000 65.4471 31.4437 177.6399 35 F 4.4665 7.9646 115.5506 58.6204 39.4605 176.4108 36 E 4.2051 8.3342 118.4185 56.4878 29.7383 176.6021 37 G 3.8721 8.0512 106.9321 46.7585 0.0000 173.3196 38 T 4.9284 7.4070 108.0359 59.8303 72.4152 172.2936 39 Q 5.1280 8.3025 118.2952 55.9144 31.3926 172.6865 40 E 4.9817 9.1495 120.5441 55.1512 33.4269 173.7551 41 M 5.2363 8.6214 121.5510 53.9731 34.9156 173.4625 42 K 4.5826 9.1073 121.7119 54.7534 34.7672 174.6464 43 I 5.0936 8.3886 127.6521 59.5828 39.8071 174.7164 44 E 4.6721 9.2426 125.8119 54.4271 33.0139 175.1797 45 V 4.5880 8.4878 124.5333 62.4254 31.7006 175.3454 46 I 4.4476 8.7994 121.7109 61.2110 39.1489 175.6619 47 E 4.6205 7.8424 121.9729 55.6638 33.8979 176.2713 48 G 3.9222 8.6897 110.2030 46.5444 0.0000 173.7026 49 G 3.9511 7.7045 107.5537 43.5785 0.0000 172.4342 50 P 4.3867 0.0000 0.0000 61.5074 32.0872 176.7384 51 L 3.6913 8.0837 121.9363 54.5374 41.8218 175.2275 52 P 4.5899 0.0000 0.0000 62.4726 31.3700 175.1357 53 F 4.9140 6.6378 112.0979 55.0109 41.0688 173.7458 54 A 4.1695 8.6353 124.1901 51.9478 18.7508 178.4630 55 F 4.0357 9.0709 125.0024 61.7305 39.4262 176.8365 56 H 4.2542 8.7646 116.9475 58.0046 28.2183 176.9625 57 I 3.8833 7.4392 113.3256 62.6925 37.8102 177.1469 58 L 4.2608 7.6714 120.4853 54.9764 41.3674 178.4329 59 S 4.0523 7.4235 116.2004 61.8075 62.8764 176.5164 60 T 4.1328 7.7377 107.3429 63.2627 68.9235 175.1225 61 S 4.4732 7.5888 117.3941 59.4299 63.7012 173.9552 62 C 4.3726 7.5804 121.9163 60.0417 27.7536 173.3449 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 H 8.43 4.56 0.00 3.24 3.47 0.00 5.70 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0 G 9.27 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 1 S 7.75 4.57 0.00 4.03 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 0.00 2 A 8.59 4.01 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.13 4.03 0.00 3.48 3.48 0.00 0.00 0.00 0.00 0.00 0.00 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 F 7.97 4.68 0.00 3.19 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 5 L 7.51 4.57 0.00 1.62 1.46 -0.03 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 6 K 8.60 4.14 0.00 1.87 1.84 0.00 1.81 0.00 0.00 1.68 0.00 0.00 3.01 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.50 1.51 7.81 7 K 8.94 4.22 0.00 1.81 1.82 0.00 1.66 0.00 0.00 1.88 0.00 0.00 2.95 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.54 1.46 7.81 8 T 7.56 5.14 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 1.23 0.00 0.00 9 M 8.83 4.90 0.00 2.12 1.92 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.54 0.00 10 P 0.00 5.03 0.00 2.06 1.98 0.00 3.83 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 1.99 1.95 0.00 11 F 8.36 5.14 0.00 3.10 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 12 K 8.77 5.22 0.00 1.66 1.74 0.00 1.71 0.00 0.00 1.64 0.00 0.00 2.66 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.32 1.41 7.81 13 T 8.97 4.85 4.35 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 0.00 0.00 0.00 1.38 0.00 0.00 14 T 8.53 5.17 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 1.23 0.00 0.00 15 I 8.92 4.64 1.98 0.00 0.00 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 1.16 0.76 1.04 0.00 0.00 16 E 8.43 4.59 0.00 1.84 1.68 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 2.17 2.16 0.00 17 G 7.00 3.89 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 0.00 18 T 8.37 5.37 4.33 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 1.38 0.00 0.00 19 V 8.67 4.22 1.46 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 0.39 0.00 0.00 0.75 0.00 0.00 20 N 9.97 4.30 0.00 2.84 2.87 0.00 0.00 7.22 7.65 0.00 0.00 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 G 8.53 3.93 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 H 8.21 4.92 0.00 3.34 3.59 0.00 5.58 0.00 0.00 0.00 0.00 6.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 Y 8.43 4.91 0.00 3.08 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 24 F 7.18 4.93 0.00 3.22 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 25 K 8.88 4.89 0.00 1.69 1.62 0.00 1.64 0.00 0.00 1.70 0.00 0.00 2.85 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.33 1.51 7.81 26 C 9.57 5.59 0.00 2.95 2.97 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 27 T 8.76 5.21 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 1.24 0.00 0.00 28 G 8.67 4.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.99 5.12 0.00 1.63 1.53 0.00 1.67 0.00 0.00 1.59 0.00 0.00 2.78 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.29 1.36 7.81 30 G 8.03 3.68 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 0.00 0.00 0.00 31 E 8.68 5.01 0.00 1.78 1.74 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 2.10 2.13 0.00 32 G 9.03 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 0.00 0.00 0.00 0.00 33 N 9.31 5.66 0.00 2.82 2.75 0.00 0.00 6.87 7.68 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 34 P 0.00 4.11 0.00 1.56 1.96 0.00 4.07 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 2.07 1.95 0.00 35 F 7.96 4.47 0.00 3.09 3.15 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.33 4.21 0.00 2.00 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 0.00 2.42 2.36 0.00 37 G 8.05 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 T 7.41 4.93 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 1.28 0.00 0.00 39 Q 8.30 5.13 0.00 2.29 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.66 6.74 0.00 0.00 0.00 0.00 0.00 2.22 2.38 0.00 40 E 9.15 4.98 0.00 2.06 1.76 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 2.20 2.27 0.00 41 M 8.62 5.24 0.00 2.40 2.25 0.00 0.00 0.00 0.00 0.00 2.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.68 0.00 42 K 9.11 4.58 0.00 1.77 1.65 0.00 1.55 0.00 0.00 1.61 0.00 0.00 2.80 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.29 1.33 7.81 43 I 8.39 5.09 1.89 0.00 0.00 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 1.53 0.76 1.12 0.00 0.00 44 E 9.24 4.67 0.00 1.85 1.80 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 2.18 2.19 0.00 45 V 8.49 4.59 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 0.96 0.00 0.00 0.95 0.00 0.00 46 I 8.80 4.45 1.90 0.00 0.00 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 1.34 0.89 0.94 0.00 0.00 47 E 7.84 4.62 0.00 2.04 1.98 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 2.37 2.38 0.00 48 G 8.69 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 0.00 0.00 0.00 49 G 7.70 3.95 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 0.00 0.00 0.00 50 P 0.00 4.39 0.00 1.98 1.93 0.00 3.67 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 1.99 2.07 0.00 51 L 8.08 3.69 0.00 1.17 0.37 0.69 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 52 P 0.00 4.59 0.00 2.16 2.01 0.00 3.15 0.00 0.00 3.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.49 0.00 53 F 6.64 4.91 0.00 3.02 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.64 4.17 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 9.07 4.04 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 56 H 8.76 4.25 0.00 3.28 3.39 0.00 6.14 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 I 7.44 3.88 1.77 0.00 0.00 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.38 0.88 0.00 0.00 58 L 7.67 4.26 0.00 0.85 1.45 0.69 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 59 S 7.42 4.05 0.00 3.96 3.94 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 60 T 7.74 4.13 4.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 61 S 7.59 4.47 0.00 4.00 3.95 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 62 C 7.58 4.37 0.00 3.05 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