NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4281 8.3044 120.3525 55.4646 33.0458 174.4196 2 K 4.3824 7.7348 120.1696 53.9345 35.8136 173.4001 3 K 4.8751 9.0233 125.4489 55.3190 36.4906 173.9436 4 Y 5.8330 8.7462 117.9104 55.8633 43.1494 174.3666 5 V 4.9974 8.2735 118.5002 60.1616 35.0097 174.3358 6 C 3.9024 9.1625 124.0303 59.1513 32.6947 173.5162 7 T 4.4517 7.9082 114.1359 61.7582 68.6804 174.8174 8 V 4.1663 7.9213 121.2607 64.8093 33.6206 175.8189 9 C 4.3781 7.9609 111.6758 60.7394 30.6060 175.0762 10 G 4.2355 8.2487 108.2112 44.7353 0.0000 172.1150 11 Y 4.8419 8.2246 120.5376 55.7839 40.8166 173.8807 12 E 4.9282 8.0512 123.3859 54.9902 31.7643 174.2378 13 Y 4.7502 8.5648 123.1851 56.2063 41.2292 174.0792 14 D 4.6106 8.3899 126.0947 51.6556 41.3473 174.4014 15 P 4.1590 0.0000 0.0000 63.1570 31.9325 177.7595 16 A 4.0550 7.9296 122.3782 54.3950 18.4887 177.7998 17 E 4.3596 8.0311 111.1925 54.9715 30.7510 177.3902 18 G 4.1498 7.3646 109.3837 44.6845 0.0000 173.5073 19 D 4.9990 8.1942 116.4093 51.7292 41.2986 174.7220 20 P 4.6031 0.0000 0.0000 63.7303 32.1444 178.8177 21 D 4.4133 8.2020 118.0201 56.3614 41.3970 176.0627 22 N 4.7365 8.4179 114.5778 53.5085 40.3041 174.6224 23 G 3.7519 7.2901 103.6463 44.9720 0.0000 174.3029 24 V 3.7802 8.3256 122.0511 62.3148 32.1077 175.8474 25 K 4.3761 8.3822 125.7401 55.5865 32.6104 176.0216 26 P 4.7083 0.0000 0.0000 63.4117 31.9248 176.6422 27 G 4.1638 7.7246 107.8326 45.3546 0.0000 174.2796 28 T 4.4291 7.5323 114.2407 60.7269 71.8077 175.5059 29 S 4.5189 8.3950 121.9245 57.4913 65.3875 174.6466 30 F 3.7093 8.7445 123.6269 61.3159 39.0582 176.0839 31 D 4.4511 8.1097 115.9109 56.2877 41.2562 176.7505 32 D 4.4578 7.3408 116.4502 54.9434 41.6709 176.2977 33 L 3.6690 6.9725 119.3481 53.8283 42.1981 175.0842 34 P 4.4272 0.0000 0.0000 62.3427 32.1033 176.3328 35 A 4.1760 8.3338 120.7820 53.6899 18.8053 177.5213 36 D 4.8931 7.8038 115.0572 53.5983 41.7987 175.7668 37 W 4.6908 7.9196 126.1474 56.1729 32.1007 175.2387 38 V 4.2364 6.3529 114.5145 59.1947 35.1999 174.4307 39 C 3.6915 8.1259 122.5843 59.4682 31.6559 172.9102 40 P 4.3361 0.0000 0.0000 63.9576 31.3368 177.1848 41 V 3.7254 7.4038 118.8635 64.6409 31.5524 175.1899 42 C 4.3840 8.4910 111.5381 57.7904 32.3163 171.9095 43 G 2.8947 7.0914 109.5906 43.5879 0.0000 171.7594 44 A 4.7466 7.3613 123.7729 49.2925 22.5404 174.6333 45 P 4.9451 0.0000 0.0000 61.8961 32.5215 177.6519 46 K 4.3279 8.6112 117.3009 59.0026 32.0047 179.2865 47 S 4.4185 8.2782 112.5521 60.5061 62.7242 173.9615 48 E 4.5878 8.7998 118.6958 56.5331 30.7971 175.2679 49 F 5.2760 8.8446 120.0527 56.2117 40.7016 175.2214 50 E 4.9894 8.9560 122.9991 54.3136 33.3766 174.2337 51 A 3.9750 8.2376 121.9906 50.6165 19.4242 177.8116 52 A 4.0221 7.8297 124.7631 52.8668 18.4014 177.0568 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 8.30 4.43 0.00 1.99 2.08 0.00 0.00 0.00 0.00 0.00 -0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.52 0.00 2 K 7.73 4.38 0.00 1.77 1.74 0.00 1.46 0.00 0.00 1.60 0.00 0.00 2.94 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.07 1.23 7.81 3 K 9.02 4.88 0.00 1.65 1.67 0.00 1.61 0.00 0.00 1.80 0.00 0.00 2.81 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.39 1.34 7.81 4 Y 8.75 5.83 0.00 2.99 3.05 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 5 V 8.27 5.00 2.10 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 0.74 0.00 0.00 0.97 0.00 0.00 6 C 9.16 3.90 0.00 2.62 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 7 T 7.91 4.45 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 1.27 0.00 0.00 8 V 7.92 4.17 2.01 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 0.85 0.00 0.00 0.89 0.00 0.00 9 C 7.96 4.38 0.00 3.13 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 10 G 8.25 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 0.00 0.00 0.00 0.00 11 Y 8.22 4.84 0.00 3.13 2.87 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 12 E 8.05 4.93 0.00 1.92 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 2.04 2.05 0.00 13 Y 8.56 4.75 0.00 3.57 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 14 D 8.39 4.61 0.00 2.67 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 0.00 0.00 0.00 15 P 0.00 4.16 0.00 2.16 2.14 0.00 3.12 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.85 0.00 16 A 7.93 4.06 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 17 E 8.03 4.36 0.00 2.14 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 2.45 2.31 0.00 18 G 7.36 4.15 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 0.00 0.00 0.00 19 D 8.19 5.00 0.00 3.01 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 20 P 0.00 4.60 0.00 2.25 2.34 0.00 3.96 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 2.12 1.95 0.00 21 D 8.20 4.41 0.00 2.72 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 22 N 8.42 4.74 0.00 2.98 2.90 0.00 0.00 7.12 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 23 G 7.29 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 V 8.33 3.78 2.30 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 0.99 0.00 0.00 1.07 0.00 0.00 25 K 8.38 4.38 0.00 1.86 1.71 0.00 1.71 0.00 0.00 1.86 0.00 0.00 2.93 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.53 1.43 7.81 26 P 0.00 4.71 0.00 2.18 2.30 0.00 3.32 0.00 0.00 4.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.93 0.00 27 G 7.72 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 0.00 0.00 0.00 0.00 28 T 7.53 4.43 4.34 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 1.10 0.00 0.00 29 S 8.39 4.52 0.00 4.10 4.02 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 0.00 0.00 0.00 30 F 8.74 3.71 0.00 3.06 2.99 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 0.00 0.00 0.00 31 D 8.11 4.45 0.00 2.78 2.70 0.00 0.00 0.00 0.00 0.00 0.00 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 D 7.34 4.46 0.00 2.70 2.76 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 0.00 33 L 6.97 3.67 0.00 1.06 0.81 -1.47 0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 34 P 0.00 4.43 0.00 2.18 2.03 0.00 3.41 0.00 0.00 3.44 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 A 8.33 4.18 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 7.80 4.89 0.00 2.61 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 37 W 7.92 4.69 0.00 3.10 2.83 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 38 V 6.35 4.24 1.72 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 0.58 0.00 0.00 0.66 0.00 0.00 39 C 8.13 3.69 0.00 3.23 2.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 P 0.00 4.34 0.00 2.08 2.14 0.00 3.93 0.00 0.00 3.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 2.45 0.00 41 V 7.40 3.73 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.75 0.00 0.00 0.52 0.00 0.00 42 C 8.49 4.38 0.00 3.05 2.87 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 43 G 7.09 2.89 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 44 A 7.36 4.75 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 45 P 0.00 4.95 0.00 2.31 2.24 0.00 3.77 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 2.13 2.01 0.00 46 K 8.61 4.33 0.00 1.95 2.14 0.00 1.24 0.00 0.00 0.61 0.00 0.00 2.63 0.00 0.00 2.63 0.00 0.00 0.00 0.00 1.48 1.39 7.81 47 S 8.28 4.42 0.00 3.91 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 48 E 8.80 4.59 0.00 1.98 1.91 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 2.43 2.45 0.00 49 F 8.84 5.28 0.00 3.33 3.33 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 0.00 50 E 8.96 4.99 0.00 1.93 1.86 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 2.31 2.41 0.00 51 A 8.24 3.97 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 A 7.83 4.02 1.17 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 0.00 0.00 0.00