NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 V 3.9471 8.0544 120.3033 61.4704 32.6499 174.0847 2 V 4.3598 7.9127 120.9325 60.9163 35.9328 175.3541 3 Y 4.2686 8.6627 120.0780 57.5251 38.9536 178.2431 4 T 3.9531 8.5202 127.3719 62.7463 70.2461 169.6505 5 D 4.7020 8.5942 123.2544 53.7473 41.2408 177.3406 6 C 4.1052 8.5901 121.5966 57.6194 40.9442 173.9138 7 T 4.5352 8.2809 110.6529 61.4300 68.4364 172.8421 8 E 4.6132 8.1231 116.2219 55.4471 32.3838 175.5681 9 S 4.1457 8.8309 122.8257 59.8410 63.9047 173.5373 10 G 4.0343 9.4941 110.5996 45.5852 0.0000 173.9364 11 Q 4.7575 7.5937 117.0961 55.5045 30.5805 177.6546 12 N 4.8681 8.1036 112.4317 53.5805 39.0752 175.2446 13 L 4.5574 7.6280 115.6868 54.8081 44.2557 174.8882 14 C 4.7742 7.6862 115.4077 53.4553 44.8684 173.5598 15 L 4.8743 7.7620 118.3745 54.6328 37.9494 176.1827 16 C 4.7052 8.2791 120.3482 57.6033 38.9493 172.8168 17 E 4.0455 8.3273 123.6942 56.3067 30.1988 176.9916 18 G 3.9433 8.4200 118.1719 46.2276 0.0000 172.8632 19 S 4.4355 8.6403 116.7820 58.6744 62.9878 174.7708 20 N 4.7291 7.7471 117.1503 52.8799 39.3792 174.6918 21 V 4.8903 7.9609 120.2206 61.9072 33.2575 178.3754 22 C 4.6560 8.4146 129.5057 56.5863 44.1959 175.5822 23 G 4.0449 8.5894 96.0815 44.4244 0.0000 169.3000 24 Q 3.6751 8.5017 123.3734 55.8988 29.1687 177.1527 25 G 3.9997 9.3737 115.2442 44.9452 0.0000 171.9870 26 N 5.3061 7.8515 117.2846 51.5242 42.5148 173.0023 27 K 5.0543 8.2134 119.0973 55.8895 35.8956 175.7594 28 C 5.2091 9.5619 128.3344 55.5447 44.9717 172.3053 29 I 4.8155 8.7501 122.0369 59.8873 41.0221 174.3399 30 L 4.7185 8.1563 127.6428 53.8338 42.7552 174.4082 31 G 3.6709 8.9015 117.0463 45.3689 0.0000 171.9386 32 S 4.4622 8.5539 120.3968 57.0104 62.5159 173.5661 33 D 4.7045 9.5000 128.4258 55.3984 38.4727 174.4970 34 G 3.9658 8.3624 106.0736 45.6352 0.0000 174.4906 35 E 4.3749 7.9394 119.7330 54.5945 28.7513 176.7303 36 K 4.1029 8.4999 121.8293 56.9003 32.5557 176.1302 37 N 4.6736 7.0941 114.6890 53.2412 42.0895 172.8119 38 Q 4.8631 9.0365 127.7011 54.2328 33.1918 173.4706 39 C 5.1108 8.4407 118.5264 54.9825 34.1989 172.8551 40 V 4.2187 8.2178 119.9394 61.7211 32.8563 175.0939 41 T 4.2659 7.5040 122.4935 61.0592 69.1194 171.4490 42 G 4.1946 8.2798 110.1072 42.9728 0.0000 173.8842 43 E 4.2453 8.4450 121.4295 55.7913 30.3176 176.9534 44 G 3.9646 8.6407 114.1865 44.6471 0.0000 174.7059 45 T 4.4319 5.7900 115.7467 61.6102 73.4218 171.5715 46 P 4.2172 0.0000 0.0000 62.1119 29.5602 173.6442 47 K 3.9673 8.0800 127.2737 55.4800 31.2943 173.9271 48 P 4.5966 0.0000 0.0000 61.7006 32.2952 176.7637 49 Q 4.1795 8.4839 115.2819 56.5739 28.4974 176.0902 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 V 8.05 3.95 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 0.84 0.00 0.00 0.61 0.00 0.00 2 V 7.91 4.36 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 0.83 0.00 0.00 0.90 0.00 0.00 3 Y 8.66 4.27 0.00 3.06 2.20 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 4 T 8.52 3.95 4.28 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 1.29 0.00 0.00 5 D 8.59 4.70 0.00 2.70 2.60 0.00 0.00 0.00 0.00 0.00 0.00 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 C 8.59 4.11 0.00 2.95 3.24 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 7 T 8.28 4.54 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 1.21 0.00 0.00 8 E 8.12 4.61 0.00 1.97 1.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.19 0.00 9 S 8.83 4.15 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 10 G 9.49 4.03 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 0.00 0.00 0.00 11 Q 7.59 4.76 0.00 2.02 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.70 0.00 0.00 0.00 0.00 0.00 2.35 2.13 0.00 12 N 8.10 4.87 0.00 2.64 2.86 0.00 0.00 5.62 6.62 0.00 0.00 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 L 7.63 4.56 0.00 0.27 0.56 0.65 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 14 C 7.69 4.77 0.00 3.17 3.16 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 15 L 7.76 4.87 0.00 1.56 1.69 1.02 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 16 C 8.28 4.71 0.00 2.90 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 17 E 8.33 4.05 0.00 2.03 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 2.37 2.30 0.00 18 G 8.42 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 19 S 8.64 4.44 0.00 3.85 3.88 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 20 N 7.75 4.73 0.00 2.98 2.71 0.00 0.00 6.63 9.03 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 21 V 7.96 4.89 2.14 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 0.87 0.00 0.00 1.10 0.00 0.00 22 C 8.41 4.66 0.00 2.97 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 23 G 8.59 4.04 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 0.00 0.00 0.00 24 Q 8.50 3.68 0.00 2.09 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 5.40 0.00 0.00 0.00 0.00 0.00 2.34 2.52 0.00 25 G 9.37 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 N 7.85 5.31 0.00 2.68 2.73 0.00 0.00 6.21 7.76 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 27 K 8.21 5.05 0.00 1.74 1.61 0.00 1.60 0.00 0.00 1.56 0.00 0.00 2.78 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.49 1.36 7.81 28 C 9.56 5.21 0.00 2.96 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 29 I 8.75 4.82 1.86 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 1.21 0.88 0.90 0.00 0.00 30 L 8.16 4.72 0.00 1.52 1.65 0.96 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 31 G 8.90 3.67 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 0.00 0.00 0.00 32 S 8.55 4.46 0.00 3.78 3.69 0.00 0.00 0.00 0.00 0.00 0.00 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 D 9.50 4.70 0.00 2.81 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 34 G 8.36 3.97 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 0.00 0.00 0.00 35 E 7.94 4.37 0.00 2.20 1.92 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 2.42 2.30 0.00 36 K 8.50 4.10 0.00 1.81 1.84 0.00 1.73 0.00 0.00 1.74 0.00 0.00 2.84 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.53 1.43 7.81 37 N 7.09 4.67 0.00 2.76 2.64 0.00 0.00 6.53 6.65 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 38 Q 9.04 4.86 0.00 2.07 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.66 6.65 0.00 0.00 0.00 0.00 0.00 2.23 2.29 0.00 39 C 8.44 5.11 0.00 2.92 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 40 V 8.22 4.22 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.00 0.00 0.92 0.00 0.00 41 T 7.50 4.27 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 42 G 8.28 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 43 E 8.44 4.25 0.00 1.96 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 2.30 2.29 0.00 44 G 8.64 3.96 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 0.00 0.00 0.00 45 T 5.79 4.43 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 1.20 0.00 0.00 46 P 0.00 4.22 0.00 2.19 2.11 0.00 3.80 0.00 0.00 3.57 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 47 K 8.08 3.97 0.00 1.66 1.78 0.00 1.77 0.00 0.00 1.80 0.00 0.00 3.14 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.46 1.48 7.81 48 P 0.00 4.60 0.00 2.22 2.09 0.00 3.57 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.08 0.00 49 Q 8.48 4.18 0.00 2.18 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.78 6.69 0.00 0.00 0.00 0.00 0.00 2.34 2.43 0.00