NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.8284 8.1648 122.9539 52.0987 19.8172 177.7839 2 H 3.8779 8.2096 117.3856 55.7042 26.2993 174.2021 3 M 4.2888 6.9986 121.2523 53.4934 34.5948 174.5786 4 D 4.4184 8.6830 118.5953 55.6959 41.3151 176.8350 5 C 5.3225 8.5083 122.6804 54.4390 44.3432 175.2587 6 T 2.6324 8.1364 118.3377 64.8273 68.3030 171.8656 7 E 4.3476 6.5283 121.9082 55.0508 29.7279 177.3259 8 F 4.5680 6.8726 124.0521 57.5103 40.2090 174.4138 9 N 4.5339 8.7540 115.3087 55.7628 39.3895 174.2422 10 P 4.6627 0.0000 0.0000 61.1960 29.4702 175.2200 11 L 3.8609 8.1007 125.1561 56.7093 41.5247 176.1926 12 C 3.9027 7.6861 114.8979 56.0894 40.9872 174.2124 13 R 4.3942 9.4248 116.9717 56.6261 30.6708 175.7057 14 C 4.7762 7.9147 112.3907 54.3297 42.3064 172.7016 15 N 4.6903 9.0017 122.0247 56.0082 39.9325 177.0517 16 K 4.6986 7.1030 117.5364 58.0348 31.5407 178.3889 17 M 4.4005 9.0950 118.8089 54.8193 29.4034 176.8249 18 L 4.4914 7.3241 126.1944 54.7400 41.1613 173.5972 19 G 3.9419 7.2711 113.3719 47.0093 0.0000 173.7445 20 D 4.5047 7.8550 120.7530 54.3623 41.9812 176.6887 21 L 4.5602 7.6065 114.3237 55.0576 42.9512 172.8768 22 I 4.2774 8.0244 124.0534 60.9286 40.7167 174.6153 23 C 5.5197 8.8638 121.9898 54.8086 39.5763 172.3472 24 A 5.4847 8.8969 124.9322 50.2685 21.0264 176.1358 25 V 5.2183 9.1965 120.3905 59.0945 35.5185 175.2418 26 I 4.3430 7.6464 115.2906 59.9479 37.8395 174.7775 27 G 4.0937 9.1921 120.8604 46.5715 0.0000 173.5014 28 D 4.5432 7.5906 115.8886 53.7828 42.2587 175.3390 29 A 4.4884 7.6904 122.3048 49.2154 18.7187 173.7628 30 K 4.6863 8.0218 120.1000 54.7493 33.5904 175.2564 31 E 5.0853 9.1214 126.2475 55.3933 33.4653 174.0675 32 E 5.3434 8.6094 123.2968 56.2371 31.1585 175.9571 33 H 4.7930 8.4569 117.8511 54.7904 32.6127 174.4634 34 R 3.8606 8.9769 123.0420 59.5360 31.0546 178.1704 35 N 4.6676 7.7890 115.9422 51.8783 35.1290 175.3686 36 M 3.6912 7.8729 122.5025 58.9166 32.5793 176.2720 37 C 4.6599 8.2544 114.9414 58.0022 43.2603 175.4215 38 A 3.8649 8.0498 123.7216 54.5437 17.8467 179.5286 39 L 3.6538 7.5098 118.3842 58.5660 42.1668 179.6992 40 C 4.2289 7.7330 115.2140 59.5572 40.0974 173.0976 41 C 4.2582 8.2441 115.5204 56.5742 41.8149 174.0646 42 E 4.4621 7.7630 120.5026 55.6456 29.4641 175.2346 43 H 4.1127 7.3449 112.5337 53.2257 29.3296 173.0806 44 P 4.4104 0.0000 0.0000 64.5619 31.5389 178.1460 45 G 4.1143 7.9394 106.4837 45.8497 0.0000 173.1736 46 G 4.0907 8.3325 109.0691 45.1502 0.0000 173.7455 47 F 4.2306 8.2998 120.7461 58.7575 40.0847 175.4123 48 E 4.1706 8.1903 125.9132 54.9964 29.4294 174.1500 49 Y 5.3663 7.2741 124.5499 54.9717 42.0231 175.1965 50 S 4.7543 8.8464 114.4676 56.3911 65.5281 172.9900 51 N 4.3482 9.1739 122.9211 53.2758 38.8417 173.9343 52 G 4.1942 7.4854 107.9566 42.6400 0.0000 172.8280 53 P 4.6523 0.0000 0.0000 62.2542 28.8999 174.6161 54 C 4.8653 8.0385 116.3769 55.7391 40.3070 174.5834 55 E 4.2033 7.8970 126.3427 56.3453 29.6358 174.6900 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 A 8.16 4.83 1.21 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 0.00 0.00 0.00 2 H 8.21 3.88 0.00 3.12 3.20 0.00 5.90 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 3 M 7.00 4.29 0.00 2.37 2.19 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.53 0.00 4 D 8.68 4.42 0.00 2.72 2.78 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 5 C 8.51 5.32 0.00 3.09 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 6 T 8.14 2.63 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 1.05 0.00 0.00 7 E 6.53 4.35 0.00 2.16 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 2.30 2.23 0.00 8 F 6.87 4.57 0.00 3.00 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 9 N 8.75 4.53 0.00 2.76 2.87 0.00 0.00 6.83 8.05 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 10 P 0.00 4.66 0.00 2.30 2.14 0.00 3.83 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.82 0.00 11 L 8.10 3.86 0.00 1.72 1.86 0.99 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 12 C 7.69 3.90 0.00 3.07 3.23 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 0.00 13 R 9.42 4.39 0.00 2.04 2.01 0.00 3.28 0.00 0.00 3.28 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.72 0.00 14 C 7.91 4.78 0.00 3.00 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 15 N 9.00 4.69 0.00 2.79 2.87 0.00 0.00 6.96 7.67 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 16 K 7.10 4.70 0.00 1.88 1.80 0.00 1.59 0.00 0.00 1.76 0.00 0.00 3.08 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.40 1.43 7.81 17 M 9.09 4.40 0.00 2.14 2.15 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.71 2.52 0.00 18 L 7.32 4.49 0.00 1.69 1.67 0.92 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 19 G 7.27 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 0.00 0.00 0.00 20 D 7.86 4.50 0.00 2.69 2.65 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 0.00 0.00 0.00 0.00 21 L 7.61 4.56 0.00 1.71 1.49 0.93 0.83 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 22 I 8.02 4.28 1.94 0.00 0.00 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.26 1.06 0.00 0.00 23 C 8.86 5.52 0.00 2.96 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 24 A 8.90 5.48 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 25 V 9.20 5.22 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 0.71 0.00 0.00 0.84 0.00 0.00 26 I 7.65 4.34 1.73 0.00 0.00 -0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 1.02 0.47 0.00 0.00 27 G 9.19 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 0.00 0.00 0.00 28 D 7.59 4.54 0.00 2.56 2.56 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 0.00 0.00 0.00 0.00 29 A 7.69 4.49 1.18 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 0.00 0.00 30 K 8.02 4.69 0.00 1.67 1.70 0.00 1.80 0.00 0.00 1.62 0.00 0.00 2.84 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.34 1.33 7.81 31 E 9.12 5.09 0.00 1.96 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 2.25 0.00 32 E 8.61 5.34 0.00 1.86 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 2.44 2.41 0.00 33 H 8.46 4.79 0.00 3.00 3.15 0.00 5.61 0.00 0.00 0.00 0.00 6.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 R 8.98 3.86 0.00 1.80 1.97 0.00 3.36 0.00 0.00 3.22 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.59 0.00 35 N 7.79 4.67 0.00 2.74 2.84 0.00 0.00 6.57 7.83 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 36 M 7.87 3.69 0.00 1.86 1.82 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.88 0.00 37 C 8.25 4.66 0.00 3.12 3.28 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 38 A 8.05 3.86 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.51 3.65 0.00 1.70 1.68 0.72 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 40 C 7.73 4.23 0.00 3.00 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 41 C 8.24 4.26 0.00 2.96 3.22 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 0.00 42 E 7.76 4.46 0.00 1.80 1.94 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 2.11 2.12 0.00 43 H 7.34 4.11 0.00 3.15 3.02 0.00 5.81 0.00 0.00 0.00 0.00 6.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 P 0.00 4.41 0.00 2.17 2.14 0.00 3.83 0.00 0.00 3.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.43 2.23 0.00 45 G 7.94 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 0.00 0.00 0.00 46 G 8.33 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 0.00 0.00 0.00 47 F 8.30 4.23 0.00 3.04 3.17 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 48 E 8.19 4.17 0.00 1.80 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 2.09 2.00 0.00 49 Y 7.27 5.37 0.00 3.12 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 50 S 8.85 4.75 0.00 3.90 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 51 N 9.17 4.35 0.00 2.77 2.87 0.00 0.00 7.17 7.59 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 52 G 7.49 4.19 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 0.00 53 P 0.00 4.65 0.00 2.20 2.11 0.00 3.73 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 1.96 0.00 54 C 8.04 4.87 0.00 3.07 3.22 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 0.00 55 E 7.90 4.20 0.00 1.94 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 2.26 2.21 0.00