NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.8173 8.3393 109.7364 45.4395 0.0000 177.0687 2 S 4.3166 8.9246 125.8505 53.8263 62.6114 170.6141 3 P 4.6852 0.0000 0.0000 60.7781 34.0683 176.5923 4 P 4.6804 0.0000 0.0000 62.5522 28.9709 176.3175 5 E 4.5079 7.5432 112.3306 56.6387 30.8898 175.9398 6 A 3.7711 8.4510 117.7049 53.4912 14.9217 178.4855 7 D 4.7814 7.6849 120.5001 52.0784 41.8795 176.5430 8 P 4.0750 0.0000 0.0000 65.7684 31.9869 178.5943 9 R 4.0538 8.8550 117.6423 59.5294 29.9477 179.3233 10 L 3.4859 8.0162 117.4962 56.8088 41.5024 178.4312 11 I 4.0844 8.8546 118.6684 61.2268 38.1658 176.2408 12 E 4.2693 8.8131 121.2629 58.3544 29.7176 177.7968 13 S 4.1045 8.7710 113.6417 61.0754 62.9266 175.7592 14 L 4.1348 7.9526 122.6108 58.4895 41.5427 178.4411 15 S 4.0544 8.6884 114.4732 62.1385 62.5494 176.5226 16 Q 4.0023 7.9794 121.6133 59.9849 27.4663 179.0823 17 M 4.3068 8.9529 119.3686 57.9810 32.1904 176.9118 18 L 4.4875 8.8805 123.0269 56.5565 42.4184 177.9331 19 S 4.3502 7.6535 113.3246 60.1899 62.9416 175.3102 20 M 4.2834 7.4699 120.5792 56.3976 32.1492 176.3950 21 G 3.8624 7.6627 107.3121 45.1702 0.0000 172.8950 22 F 5.2826 7.6498 118.5493 56.9447 43.9790 174.0937 23 S 4.5074 8.1360 122.7219 58.9823 68.8055 177.2270 24 D 3.9304 8.4609 131.7424 51.8535 40.6366 177.0344 25 E 4.3955 9.2119 129.6155 54.6640 29.2271 173.6619 26 G 3.9260 6.7351 110.8591 44.0859 0.0000 174.3302 27 G 3.9750 8.1511 107.0378 42.7115 0.0000 175.2369 28 W 4.6099 7.3111 119.6593 57.8966 29.1327 176.2504 29 L 3.8886 6.4678 120.3099 58.7761 41.0106 178.6581 30 T 3.8572 7.5961 112.4249 65.2271 67.5047 174.7547 31 R 4.2260 7.9101 119.6626 58.5592 30.4065 177.5644 32 L 3.7607 9.5794 119.2977 58.8414 41.9541 178.8074 33 L 3.7838 8.5252 116.9515 58.2280 41.5953 179.5237 34 Q 3.4671 7.6082 116.6603 59.4554 28.8091 179.3209 35 T 4.2964 8.1045 110.0434 62.7366 67.0687 174.3726 36 K 4.5300 8.9292 119.3287 56.3823 33.3190 175.6550 37 N 3.7693 8.4882 114.7825 54.9945 38.2686 173.4830 38 Y 3.6334 7.7842 107.9401 59.0231 34.9573 169.9911 39 D 5.0827 7.9055 118.2136 51.4786 42.7883 177.4395 40 I 3.8261 7.9689 115.0803 62.4332 38.6222 178.2532 41 G 3.8999 8.2556 109.8814 48.3937 0.0000 174.0743 42 A 4.3725 8.8032 122.2599 52.3669 20.3013 178.9534 43 A 4.1945 7.5815 119.2833 55.4916 18.7920 179.7611 44 L 4.0728 8.5344 116.0041 58.3345 42.2140 179.4081 45 D 4.8827 7.6556 117.8369 57.1040 41.4069 178.6355 46 T 4.0052 7.1578 108.2365 62.5381 69.6888 176.1713 47 I 4.2419 8.3261 116.1309 63.8734 37.8829 176.3185 48 Q 4.4444 7.2609 115.8836 54.7413 31.1897 173.6708 49 Y 4.7339 7.0743 109.6264 56.9448 39.7857 174.9943 50 S 5.5492 7.7527 107.9313 57.1469 64.7390 175.4877 51 K 4.6321 7.6316 115.1004 57.3657 33.7260 175.7019 52 H 4.4894 7.8912 122.0589 56.2970 30.0910 172.7297 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 8.34 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 0.00 0.00 0.00 2 S 8.92 4.32 0.00 4.25 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 3 P 0.00 4.69 0.00 2.18 2.07 0.00 3.72 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 1.92 0.00 4 P 0.00 4.68 0.00 2.20 2.16 0.00 3.73 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.97 0.00 5 E 7.54 4.51 0.00 2.02 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 2.28 2.27 0.00 6 A 8.45 3.77 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 7 D 7.68 4.78 0.00 2.83 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 8 P 0.00 4.07 0.00 2.15 2.08 0.00 3.55 0.00 0.00 3.73 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 9 R 8.86 4.05 0.00 1.27 1.46 0.00 2.87 0.00 0.00 2.25 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.54 0.00 10 L 8.02 3.49 0.00 1.73 1.66 0.95 0.43 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 11 I 8.85 4.08 1.92 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 1.38 1.39 0.94 0.00 0.00 12 E 8.81 4.27 0.00 2.07 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.31 0.00 13 S 8.77 4.10 0.00 4.03 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 14 L 7.95 4.13 0.00 1.85 1.79 0.94 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 15 S 8.69 4.05 0.00 3.98 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 16 Q 7.98 4.00 0.00 2.02 2.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.98 0.00 0.00 0.00 0.00 0.00 2.43 2.66 0.00 17 M 8.95 4.31 0.00 2.39 2.23 0.00 0.00 0.00 0.00 0.00 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.66 2.68 0.00 18 L 8.88 4.49 0.00 1.65 1.74 0.91 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 19 S 7.65 4.35 0.00 3.88 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 20 M 7.47 4.28 0.00 2.23 2.41 0.00 0.00 0.00 0.00 0.00 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.65 2.93 0.00 21 G 7.66 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 22 F 7.65 5.28 0.00 3.31 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 23 S 8.14 4.51 0.00 3.83 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 24 D 8.46 3.93 0.00 1.58 1.73 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 25 E 9.21 4.40 0.00 2.38 2.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.42 0.00 26 G 6.74 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 27 G 8.15 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 28 W 7.31 4.61 0.00 3.57 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 29 L 6.47 3.89 0.00 0.72 1.09 0.91 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 30 T 7.60 3.86 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 1.20 0.00 0.00 31 R 7.91 4.23 0.00 1.96 2.03 0.00 3.32 0.00 0.00 3.36 7.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.72 0.00 32 L 9.58 3.76 0.00 2.06 2.38 1.12 0.92 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 33 L 8.53 3.78 0.00 1.73 1.70 1.10 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 34 Q 7.61 3.47 0.00 2.22 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.70 7.08 0.00 0.00 0.00 0.00 0.00 2.35 2.16 0.00 35 T 8.10 4.30 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 1.26 0.00 0.00 36 K 8.93 4.53 0.00 2.06 1.86 0.00 1.73 0.00 0.00 1.54 0.00 0.00 2.87 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.33 1.46 7.81 37 N 8.49 3.77 0.00 2.76 2.87 0.00 0.00 7.14 7.98 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 38 Y 7.78 3.63 0.00 3.21 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 39 D 7.91 5.08 0.00 2.93 2.90 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.97 3.83 1.97 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 1.03 0.99 0.00 0.00 41 G 8.26 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 A 8.80 4.37 1.25 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 0.00 0.00 0.00 43 A 7.58 4.19 1.64 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 0.00 0.00 44 L 8.53 4.07 0.00 1.75 1.78 1.01 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 45 D 7.66 4.88 0.00 2.88 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 46 T 7.16 4.01 3.30 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 0.82 0.00 0.00 47 I 8.33 4.24 2.06 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.14 1.58 0.00 0.00 48 Q 7.26 4.44 0.00 1.22 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 7.78 0.00 0.00 0.00 0.00 0.00 1.95 2.08 0.00 49 Y 7.07 4.73 0.00 2.89 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 50 S 7.75 5.55 0.00 3.90 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 51 K 7.63 4.63 0.00 1.71 1.75 0.00 1.67 0.00 0.00 1.62 0.00 0.00 2.96 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.34 1.40 7.81 52 H 7.89 4.49 0.00 3.07 3.07 0.00 5.78 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00