NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 R 4.1817 8.2549 117.2627 54.7557 31.1456 174.8184 2 P 4.0635 0.0000 0.0000 60.4990 31.9578 176.2678 3 D 4.3456 8.5189 121.5433 56.3760 40.1076 178.2858 4 F 4.4387 7.9051 113.9928 59.0155 38.0774 177.5479 5 C 4.5251 7.2718 118.0064 59.0325 40.0617 174.2693 6 L 4.3461 7.6838 117.7584 54.8632 41.8838 176.7559 7 E 4.3182 7.5815 118.8044 54.8572 30.1550 175.0370 8 P 4.4721 0.0000 0.0000 61.5721 32.1255 174.4730 9 P 3.6278 0.0000 0.0000 62.8016 31.3133 175.2080 10 Y 4.5878 7.7283 121.2793 56.0295 40.2166 175.4223 11 T 4.1887 8.2591 125.4535 64.9964 68.8334 176.0460 12 G 3.7579 6.8403 105.0780 44.1088 0.0000 171.2137 13 P 4.3359 0.0000 0.0000 64.5482 32.0586 177.7096 14 C 4.5205 7.8720 116.6944 56.9500 40.7368 173.4394 15 K 4.6706 8.1893 119.2186 56.1854 32.1260 176.5679 16 A 4.3290 7.7786 121.1264 51.2991 20.9967 177.6219 17 R 4.5222 8.3227 118.7929 54.2499 30.9729 172.7336 18 I 4.4685 8.3843 124.4890 58.8599 40.0915 174.5166 19 I 4.3151 8.3183 128.5020 61.0069 37.7897 175.4339 20 R 4.6923 8.3088 124.9574 54.5971 34.8675 173.6756 21 Y 5.6238 9.4566 117.7890 56.7278 40.9219 175.3149 22 F 5.7880 9.4744 116.3139 55.5245 42.0548 172.8021 23 Y 4.3518 9.9259 122.9934 57.3098 39.5957 174.2965 24 N 4.5077 8.1557 126.3570 51.7848 39.3983 174.9826 25 A 3.9739 8.8954 132.6352 55.8835 18.7013 179.4727 26 K 4.0891 8.1398 115.2958 57.3931 31.9786 179.8079 27 A 4.0700 7.9462 120.8203 52.8049 18.8046 178.4684 28 G 3.8873 9.3191 103.4957 45.2251 0.0000 172.2630 29 L 4.6349 6.6570 118.6986 54.5588 44.4177 174.9930 30 C 4.9718 8.5440 116.1149 56.3807 42.5728 173.2934 31 Q 4.8447 8.4520 120.8610 54.5369 33.2638 174.0735 32 T 5.1776 8.5171 110.0548 61.0631 71.0514 173.7268 33 F 4.9802 8.8107 116.6273 55.9093 42.0397 173.0332 34 V 4.3412 8.4217 119.8197 61.9937 32.2591 174.1976 35 Y 4.7903 8.8254 130.2924 56.2229 40.2859 176.3998 36 G 3.7787 8.2582 113.1697 46.2104 0.0000 175.0789 37 G 3.9197 6.7160 107.4287 45.2155 0.0000 172.2729 38 C 4.8933 7.1086 111.9234 55.0211 44.4160 173.1798 39 R 3.8079 8.8192 116.5040 57.0405 27.1645 176.8837 40 A 4.2658 8.3295 118.8614 52.5437 19.0705 178.1821 41 K 4.3816 8.2178 120.4894 54.6837 34.1724 177.1916 42 R 3.5812 8.0858 118.0578 59.0657 30.4021 177.6485 43 N 4.7738 7.8399 117.8529 51.5061 37.4777 174.5881 44 N 5.0974 6.6190 116.6146 52.8117 41.5990 173.0677 45 F 5.0734 9.6272 124.9257 55.6590 42.2302 176.5614 46 K 4.5466 8.8911 122.1691 57.9502 32.7480 177.7012 47 S 4.5559 7.7766 112.9852 55.7902 66.9450 174.8521 48 A 3.4147 7.3888 125.2803 54.9518 18.1028 179.8785 49 E 3.7488 7.8728 116.6949 59.7363 29.5149 179.0199 50 D 4.2279 7.7491 117.3543 57.2738 41.2010 177.3956 51 C 2.4500 7.5986 118.7316 59.4390 43.4738 175.5896 52 M 3.8231 8.2773 120.5031 58.0065 31.2050 178.8873 53 R 3.7695 7.6395 118.2551 59.8368 30.4256 178.4929 54 T 4.0827 7.7488 114.2306 65.9340 68.6225 174.7510 55 C 4.4503 7.9728 115.3910 56.1497 41.8258 174.1613 56 G 3.7941 7.8355 114.1554 45.8495 0.0000 173.2510 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 R 8.25 4.18 0.00 1.68 1.84 0.00 2.79 0.00 0.00 2.87 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.40 0.00 2 P 0.00 4.06 0.00 1.20 1.78 0.00 3.26 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 2.01 0.00 3 D 8.52 4.35 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 4 F 7.91 4.44 0.00 3.26 3.38 0.00 0.00 0.00 0.00 0.00 0.00 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 7.27 4.53 0.00 2.89 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 6 L 7.68 4.35 0.00 1.77 1.75 0.92 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 7 E 7.58 4.32 0.00 2.23 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 2.40 2.44 0.00 8 P 0.00 4.47 0.00 2.10 2.04 0.00 3.79 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 1.99 1.96 0.00 9 P 0.00 3.63 0.00 0.53 0.49 0.00 3.35 0.00 0.00 2.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.44 0.00 10 Y 7.73 4.59 0.00 2.78 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 11 T 8.26 4.19 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 1.16 0.00 0.00 12 G 6.84 3.76 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 0.00 0.00 0.00 13 P 0.00 4.34 0.00 2.17 2.18 0.00 3.78 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 1.98 2.02 0.00 14 C 7.87 4.52 0.00 2.80 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 15 K 8.19 4.67 0.00 1.66 1.73 0.00 1.70 0.00 0.00 1.67 0.00 0.00 2.94 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.28 1.33 7.81 16 A 7.78 4.33 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 17 R 8.32 4.52 0.00 1.72 1.76 0.00 3.32 0.00 0.00 3.18 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.52 0.00 18 I 8.38 4.47 2.01 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.56 0.97 0.00 0.00 19 I 8.32 4.32 1.76 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 1.28 0.68 0.70 0.00 0.00 20 R 8.31 4.69 0.00 0.89 1.88 0.00 3.39 0.00 0.00 3.18 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.50 0.00 21 Y 9.46 5.62 0.00 3.18 3.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 F 9.47 5.79 0.00 3.17 3.08 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 0.00 0.00 0.00 0.00 23 Y 9.93 4.35 0.00 2.97 3.03 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 24 N 8.16 4.51 0.00 2.20 2.42 0.00 0.00 6.66 8.49 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 25 A 8.90 3.97 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.14 4.09 0.00 1.79 1.74 0.00 1.80 0.00 0.00 1.71 0.00 0.00 2.94 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.36 1.01 7.81 27 A 7.95 4.07 1.15 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 28 G 9.32 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 29 L 6.66 4.63 0.00 1.57 1.70 0.88 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 30 C 8.54 4.97 0.00 2.87 3.14 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 0.00 0.00 0.00 0.00 31 Q 8.45 4.84 0.00 1.84 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.74 0.00 0.00 0.00 0.00 0.00 2.17 1.94 0.00 32 T 8.52 5.18 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 0.63 0.00 0.00 33 F 8.81 4.98 0.00 2.90 2.98 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 34 V 8.42 4.34 2.09 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 0.71 0.00 0.00 0.90 0.00 0.00 35 Y 8.83 4.79 0.00 2.53 2.73 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 36 G 8.26 3.78 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 0.00 0.00 0.00 37 G 6.72 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 38 C 7.11 4.89 0.00 3.07 2.98 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 39 R 8.82 3.81 0.00 2.17 2.25 0.00 3.27 0.00 0.00 3.32 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.68 0.00 40 A 8.33 4.27 0.93 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 41 K 8.22 4.38 0.00 1.72 1.67 0.00 1.45 0.00 0.00 1.49 0.00 0.00 2.56 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.07 0.93 7.81 42 R 8.09 3.58 0.00 1.11 0.66 0.00 2.23 0.00 0.00 2.81 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 1.28 0.00 43 N 7.84 4.77 0.00 3.16 2.88 0.00 0.00 6.68 7.79 0.00 0.00 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 N 6.62 5.10 0.00 2.69 2.57 0.00 0.00 7.08 7.02 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 45 F 9.63 5.07 0.00 3.23 3.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 K 8.89 4.55 0.00 1.85 1.95 0.00 1.80 0.00 0.00 1.81 0.00 0.00 3.01 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.49 1.47 7.81 47 S 7.78 4.56 0.00 4.07 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 48 A 7.39 3.41 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 7.87 3.75 0.00 1.98 1.95 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 2.35 2.36 0.00 50 D 7.75 4.23 0.00 2.72 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 51 C 7.60 2.45 0.00 2.80 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 52 M 8.28 3.82 0.00 1.94 2.07 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.69 0.00 53 R 7.64 3.77 0.00 1.74 2.10 0.00 3.25 0.00 0.00 3.20 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.63 0.00 54 T 7.75 4.08 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 1.60 0.00 0.00 55 C 7.97 4.45 0.00 2.76 2.22 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 56 G 7.84 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00