NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 I 3.9157 8.0093 121.4242 60.9914 37.9433 174.6816 4 K 4.3207 8.4609 125.1756 54.7939 34.1910 171.1093 5 V 4.4654 8.1873 120.0342 61.8048 35.3586 175.0443 6 R 4.5475 8.4658 126.3428 55.4567 32.7957 173.5490 7 E 4.8518 8.6877 124.1376 54.5234 32.8161 174.8174 8 N 4.5198 8.5346 118.8862 53.2402 40.4358 170.6796 9 E 3.4389 8.5805 130.5060 54.5761 27.8845 172.7344 10 P 3.9834 0.0000 0.0000 62.5560 31.1306 175.8298 11 F 4.9599 7.6727 117.6237 54.9956 41.2173 175.6073 12 D 4.7663 8.7843 124.7323 54.1757 38.4708 176.7141 13 V 4.3002 7.4279 116.6196 59.5799 33.7966 176.3158 14 A 3.9991 8.8595 128.8375 53.1852 18.9977 176.7180 15 L 3.5768 7.7080 115.2590 56.1752 39.9832 174.3199 16 R 4.2716 7.5657 118.6499 57.2068 30.5167 177.0831 17 R 3.9108 7.9885 118.1327 59.8329 29.8765 177.9190 18 F 4.3854 8.2586 118.0167 61.3206 38.2067 176.4685 19 K 3.7007 7.9593 118.0954 59.0305 32.7232 178.4501 20 R 4.5753 7.2149 116.7959 55.7655 29.1874 176.7225 21 S 4.7584 7.6429 108.3398 57.8200 64.5886 172.8600 22 C 4.9326 7.9486 109.7949 59.2152 35.4630 173.6976 23 E 4.7081 7.1441 121.0371 54.7094 31.6679 174.9294 24 K 3.3719 8.5651 122.5080 57.6309 31.6483 174.7152 25 A 4.1126 8.5756 118.6957 54.2153 18.7852 176.2722 26 G 4.3377 9.2029 115.7869 46.0529 0.0000 175.0340 27 V 4.0785 7.3081 116.6592 62.1776 32.5077 175.1695 28 L 4.4476 7.7304 118.0334 57.0919 43.7301 177.9455 29 A 4.0850 8.0296 117.8442 54.3947 18.1973 178.4658 30 E 3.9630 7.8792 117.0192 58.6192 30.1050 177.6433 31 V 3.8431 7.2512 115.0020 63.0596 31.7443 177.1864 32 R 3.9507 7.7324 117.5103 61.6727 30.5543 175.4253 33 R 4.5071 7.6980 118.1382 54.5919 31.9818 174.5419 34 R 4.1099 8.4386 113.5275 56.3502 31.0908 176.3551 35 E 3.7706 8.8839 121.5898 56.9581 27.1822 177.6865 36 F 4.8164 7.6622 132.1931 58.2472 41.6901 172.9389 37 Y 3.8502 7.1957 119.5208 58.5162 37.0202 170.8983 38 E 4.2502 8.2208 119.0107 58.9930 30.9010 178.3764 39 K 3.6850 7.9346 118.2476 59.3023 31.7969 176.5956 40 P 4.1445 0.0000 0.0000 65.5930 31.3083 178.3515 41 T 3.8459 7.7940 111.2110 63.8956 68.6981 172.9949 42 T 4.2344 7.5601 109.0763 61.5837 71.2443 175.5754 43 E 3.8168 7.9251 125.7742 58.8456 30.2921 179.5114 44 R 4.1607 8.2331 118.0104 58.9349 30.1079 178.2687 45 K 4.3913 7.6545 114.5245 57.1843 32.1423 178.4530 46 R 4.2760 7.7520 119.4326 57.6784 30.5268 177.9950 47 A 4.1531 7.8296 120.1792 53.9878 18.2679 179.6453 48 K 3.9225 7.9923 117.5458 59.9846 32.5854 179.0562 49 A 4.0122 7.5729 121.1149 54.9604 18.6199 179.3038 50 S 4.1777 7.9631 110.8149 60.9055 62.2850 176.1787 51 A 4.0641 7.9358 123.8017 55.1749 18.3155 179.5132 52 V 3.6728 7.9060 116.6624 64.7993 31.2030 176.1077 53 K 3.9690 7.4254 122.6967 57.0546 33.1932 173.9287 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 3 I 8.01 3.92 1.52 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.62 0.72 -0.03 0.00 0.00 4 K 8.46 4.32 0.00 1.98 1.82 0.00 1.64 0.00 0.00 1.73 0.00 0.00 2.93 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.42 1.62 7.81 5 V 8.19 4.47 2.13 0.00 0.00 0.00 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 1.08 0.00 0.00 6 R 8.47 4.55 0.00 1.79 1.78 0.00 3.24 0.00 0.00 3.24 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.65 0.00 7 E 8.69 4.85 0.00 2.18 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 2.33 2.42 0.00 8 N 8.53 4.52 0.00 2.69 2.72 0.00 0.00 7.10 7.65 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 9 E 8.58 3.44 0.00 1.94 1.84 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 2.24 2.30 0.00 10 P 0.00 3.98 0.00 2.07 1.97 0.00 3.54 0.00 0.00 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.86 0.00 11 F 7.67 4.96 0.00 2.97 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 12 D 8.78 4.77 0.00 2.74 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 13 V 7.43 4.30 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 0.65 0.00 0.00 0.86 0.00 0.00 14 A 8.86 4.00 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 15 L 7.71 3.58 0.00 1.76 1.71 1.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 16 R 7.57 4.27 0.00 1.97 1.90 0.00 3.32 0.00 0.00 3.32 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.76 0.00 17 R 7.99 3.91 0.00 1.92 2.05 0.00 3.36 0.00 0.00 3.28 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.70 0.00 18 F 8.26 4.39 0.00 2.88 3.07 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 0.00 0.00 0.00 0.00 19 K 7.96 3.70 0.00 2.05 1.81 0.00 1.36 0.00 0.00 1.57 0.00 0.00 2.99 0.00 0.00 2.63 0.00 0.00 0.00 0.00 1.40 1.43 7.81 20 R 7.21 4.58 0.00 1.79 1.91 0.00 3.24 0.00 0.00 3.15 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.57 0.00 21 S 7.64 4.76 0.00 4.01 4.17 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 22 C 7.95 4.93 0.00 3.10 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 23 E 7.14 4.71 0.00 1.95 1.74 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 2.16 2.26 0.00 24 K 8.57 3.37 0.00 1.85 1.59 0.00 1.74 0.00 0.00 1.80 0.00 0.00 2.92 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.37 1.33 7.81 25 A 8.58 4.11 1.24 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 26 G 9.20 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 0.00 0.00 0.00 0.00 27 V 7.31 4.08 2.06 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 0.76 0.00 0.00 0.98 0.00 0.00 28 L 7.73 4.45 0.00 1.63 1.67 0.89 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 29 A 8.03 4.08 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 7.88 3.96 0.00 1.94 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 2.07 2.13 0.00 31 V 7.25 3.84 2.02 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 0.80 0.00 0.00 0.90 0.00 0.00 32 R 7.73 3.95 0.00 1.80 2.01 0.00 3.25 0.00 0.00 3.13 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.66 0.00 33 R 7.70 4.51 0.00 1.75 1.76 0.00 3.32 0.00 0.00 3.26 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.57 0.00 34 R 8.44 4.11 0.00 1.93 2.00 0.00 3.04 0.00 0.00 3.26 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.71 0.00 35 E 8.88 3.77 0.00 1.49 1.12 0.00 0.00 0.00 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 2.38 0.00 36 F 7.66 4.82 0.00 2.73 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 37 Y 7.20 3.85 0.00 3.22 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 38 E 8.22 4.25 0.00 2.10 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 2.32 2.39 0.00 39 K 7.93 3.68 0.00 0.79 0.80 0.00 1.95 0.00 0.00 2.00 0.00 0.00 3.02 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.33 1.38 7.81 40 P 0.00 4.14 0.00 2.32 2.50 0.00 3.62 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 2.14 2.11 0.00 41 T 7.79 3.85 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 1.23 0.00 0.00 42 T 7.56 4.23 4.18 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 1.29 0.00 0.00 43 E 7.93 3.82 0.00 1.80 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 2.26 2.40 0.00 44 R 8.23 4.16 0.00 2.18 1.97 0.00 3.27 0.00 0.00 3.45 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.77 0.00 45 K 7.65 4.39 0.00 1.90 1.83 0.00 1.90 0.00 0.00 1.70 0.00 0.00 3.03 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.47 1.47 7.81 46 R 7.75 4.28 0.00 2.01 1.95 0.00 3.30 0.00 0.00 3.31 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.87 0.00 47 A 7.83 4.15 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 48 K 7.99 3.92 0.00 2.04 2.08 0.00 1.40 0.00 0.00 1.82 0.00 0.00 3.03 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.55 1.59 7.81 49 A 7.57 4.01 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.96 4.18 0.00 3.90 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 51 A 7.94 4.06 1.34 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 0.00 0.00 0.00 52 V 7.91 3.67 2.08 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 0.83 0.00 0.00 0.93 0.00 0.00 53 K 7.43 3.97 0.00 1.73 1.64 0.00 1.83 0.00 0.00 1.74 0.00 0.00 3.03 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.22 1.23 7.81