NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 G 3.9311 8.3549 109.7367 45.2055 0.0000 174.4994 3 K 3.9652 8.3937 118.2643 54.6568 33.9238 171.2659 4 V 4.4917 8.6205 121.9931 61.4173 35.5674 173.5483 5 Y 5.0017 8.8621 124.3204 56.1663 40.8605 174.6971 6 K 4.4913 8.2369 122.6414 54.5060 35.2286 174.7780 7 K 4.9879 8.4626 125.1118 54.6497 34.5093 175.7285 8 V 4.4621 8.6153 123.4550 61.0516 35.0766 173.6979 9 E 5.0066 8.8816 128.4560 55.0725 30.3775 174.7819 10 L 4.8706 9.0366 127.1224 52.8435 45.8696 176.0701 11 V 4.6114 8.3006 120.3433 61.1803 33.4810 174.9064 12 G 4.4829 8.9618 116.5749 45.0506 0.0000 171.6185 13 T 5.3840 8.2079 113.6911 60.1815 72.0588 173.0762 14 S 4.6787 8.8692 115.6933 57.8909 65.9016 175.2569 15 E 4.6771 9.0359 124.3412 57.7337 30.1212 177.6337 16 E 4.2065 8.3149 118.5145 57.6307 30.2549 176.3224 17 G 3.4169 7.1644 104.7356 44.1020 0.0000 173.6327 18 L 3.7606 7.3360 118.1594 57.8267 41.4492 179.4520 19 E 3.9072 8.0384 117.7751 59.4871 29.4422 179.2359 20 A 3.9266 7.8937 119.9630 54.8256 18.5630 179.4601 21 A 3.9241 7.8292 119.3722 55.3470 18.4885 179.8846 22 I 3.5113 7.6641 118.3051 64.7235 37.0936 178.7916 23 Q 3.9111 8.2568 118.6981 58.5736 28.4708 178.7092 24 A 3.9101 8.0227 121.7531 55.0863 18.4770 179.5004 25 A 3.8895 7.8240 118.7109 55.4350 18.5296 179.7703 26 L 3.8901 7.8392 117.2263 57.6328 41.4018 179.5728 27 A 3.9740 8.0374 120.5848 54.9861 18.1814 179.3654 28 R 3.9348 7.9017 116.6890 59.2908 30.1776 178.4686 29 A 3.8875 8.0089 120.6819 55.2253 17.5320 179.6138 30 R 3.9773 7.9708 117.0066 59.3480 29.8336 178.8735 31 K 4.2277 7.6145 117.2185 58.7728 32.0077 177.8494 32 T 4.4065 7.2486 113.8801 63.3583 71.0435 174.1321 33 L 4.4586 8.0067 120.1711 52.7698 43.5904 175.9395 34 R 4.5006 7.9207 120.0376 55.4768 33.0267 174.9337 35 H 4.1759 8.4517 113.2966 56.7714 26.1941 175.2310 36 L 4.4876 8.1313 118.7228 55.4662 42.1595 175.6820 37 D 5.2063 9.2737 122.5141 55.1910 43.0271 176.2390 38 W 5.5733 7.8791 113.3752 54.9293 32.1339 173.0079 39 F 5.4534 8.5162 114.1250 55.3282 41.1928 173.8897 40 E 4.6979 9.3968 118.8700 54.6812 33.3509 175.0183 41 V 4.2435 8.7156 125.4503 63.0435 31.6948 175.5322 42 K 4.5057 9.2500 128.6141 58.5216 33.0751 176.7461 43 E 4.7952 7.8782 115.1749 55.3606 33.0195 173.9638 44 I 4.8861 8.3427 121.1366 59.9728 39.7291 175.0063 45 R 4.7402 9.5005 126.2642 55.1706 34.7714 174.1029 46 G 4.3690 7.8073 106.7583 47.2986 0.0000 171.9485 47 T 4.8114 7.7875 109.7117 59.8372 71.9382 173.3854 48 I 4.7468 8.2597 122.6106 59.8133 39.9069 175.3981 49 G 4.3392 8.8437 116.4301 43.8717 0.0000 172.6740 50 E 3.8604 8.9570 115.8378 58.6981 29.6862 177.3402 51 A 4.6478 8.0223 120.3932 51.7577 20.5909 176.3917 52 G 4.0104 7.4070 108.4257 45.2094 0.0000 176.8275 53 V 3.8093 8.2360 124.5356 62.8808 31.8015 174.4785 54 K 4.3335 8.6945 128.4135 57.6131 33.6591 176.0932 55 E 4.7223 7.5525 120.0155 54.6764 33.0493 173.6565 56 Y 4.6131 9.3136 125.5060 57.8029 39.8193 174.8864 57 Q 4.7899 9.2188 121.8184 54.4031 32.6059 174.4914 58 V 4.5918 8.7835 126.3860 61.1186 33.1352 174.9968 59 V 4.3474 8.6296 129.6881 62.6027 32.8388 174.6552 60 L 5.1826 9.0239 129.0685 53.6569 45.9989 174.1678 61 E 5.0857 9.5641 125.9059 54.7327 32.0219 174.8757 62 V 4.5372 8.9445 125.0741 60.9733 34.1394 174.2410 63 G 3.2156 8.1305 115.9302 43.9316 0.0000 172.3158 64 F 5.6326 8.3718 118.8213 54.8515 41.9725 173.7410 65 R 4.0709 8.8258 121.8991 56.0791 30.4191 176.1007 66 L 4.3824 8.2984 127.2621 54.5328 42.3080 177.1340 67 E 4.0051 8.8064 122.3645 56.6387 30.3772 172.4314 68 E 3.4592 8.6438 131.7674 56.6093 29.7096 175.1047 *69 T 4.1630 8.4365 117.0179 61.0848 69.2274 170.1366 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 2 G 8.35 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 0.00 0.00 0.00 3 K 8.39 3.97 0.00 1.79 1.40 0.00 1.83 0.00 0.00 1.65 0.00 0.00 2.96 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.39 1.50 7.81 4 V 8.62 4.49 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 1.08 0.00 0.00 0.91 0.00 0.00 5 Y 8.86 5.00 0.00 3.00 3.02 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 6 K 8.24 4.49 0.00 1.44 0.74 0.00 1.59 0.00 0.00 1.76 0.00 0.00 2.89 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.16 1.26 7.81 7 K 8.46 4.99 0.00 1.65 1.66 0.00 2.07 0.00 0.00 1.74 0.00 0.00 2.92 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.14 1.36 7.81 8 V 8.62 4.46 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 1.09 0.00 0.00 9 E 8.88 5.01 0.00 2.03 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 2.23 2.46 0.00 10 L 9.04 4.87 0.00 1.54 1.48 0.87 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 11 V 8.30 4.61 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 0.80 0.00 0.00 0.94 0.00 0.00 12 G 8.96 4.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.21 5.38 4.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 14 S 8.87 4.68 0.00 3.90 3.91 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 0.00 0.00 0.00 15 E 9.04 4.68 0.00 2.03 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 0.00 2.41 2.34 0.00 16 E 8.31 4.21 0.00 1.98 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 0.00 2.34 2.40 0.00 17 G 7.16 3.42 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 0.00 18 L 7.34 3.76 0.00 1.54 1.63 0.87 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 19 E 8.04 3.91 0.00 1.99 1.96 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 2.39 2.43 0.00 20 A 7.89 3.93 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 21 A 7.83 3.92 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.66 3.51 1.87 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.64 0.40 0.00 0.00 23 Q 8.26 3.91 0.00 2.13 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.81 0.00 0.00 0.00 0.00 0.00 2.42 2.47 0.00 24 A 8.02 3.91 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 25 A 7.82 3.89 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 26 L 7.84 3.89 0.00 1.60 1.63 0.56 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 27 A 8.04 3.97 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 28 R 7.90 3.93 0.00 1.91 2.04 0.00 3.11 0.00 0.00 3.14 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.64 0.00 29 A 8.01 3.89 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.97 3.98 0.00 1.93 2.05 0.00 3.08 0.00 0.00 3.14 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.63 0.00 31 K 7.61 4.23 0.00 1.91 1.82 0.00 1.66 0.00 0.00 1.67 0.00 0.00 2.99 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.44 1.64 7.81 32 T 7.25 4.41 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 1.10 0.00 0.00 33 L 8.01 4.46 0.00 1.26 0.78 0.34 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 34 R 7.92 4.50 0.00 1.67 1.48 0.00 3.29 0.00 0.00 3.18 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.52 0.00 35 H 8.45 4.18 0.00 3.64 3.49 0.00 5.62 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 L 8.13 4.49 0.00 1.66 1.66 0.85 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 37 D 9.27 5.21 0.00 3.10 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 38 W 7.88 5.57 0.00 3.27 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 39 F 8.52 5.45 0.00 3.01 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 40 E 9.40 4.70 0.00 1.97 1.93 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 2.43 2.53 0.00 41 V 8.72 4.24 2.18 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 0.83 0.00 0.00 1.13 0.00 0.00 42 K 9.25 4.51 0.00 1.79 1.87 0.00 1.84 0.00 0.00 1.79 0.00 0.00 3.01 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.48 1.56 7.81 43 E 7.88 4.80 0.00 2.02 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 0.00 2.29 2.36 0.00 44 I 8.34 4.89 1.92 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.72 1.00 0.00 0.00 45 R 9.50 4.74 0.00 1.69 1.82 0.00 3.42 0.00 0.00 3.18 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.57 0.00 46 G 7.81 4.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.79 4.81 4.20 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 1.18 0.00 0.00 48 I 8.26 4.75 1.84 0.00 0.00 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 1.22 0.63 0.91 0.00 0.00 49 G 8.84 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 50 E 8.96 3.86 0.00 2.08 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 0.00 2.27 2.30 0.00 51 A 8.02 4.65 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.41 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 0.00 0.00 0.00 53 V 8.24 3.81 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 0.72 0.00 0.00 54 K 8.69 4.33 0.00 1.80 1.82 0.00 1.77 0.00 0.00 1.59 0.00 0.00 2.83 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.33 1.32 7.81 55 E 7.55 4.72 0.00 2.12 1.66 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 0.00 2.19 2.29 0.00 56 Y 9.31 4.61 0.00 3.08 2.84 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 57 Q 9.22 4.79 0.00 2.09 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.78 0.00 0.00 0.00 0.00 0.00 2.27 2.28 0.00 58 V 8.78 4.59 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 0.94 0.00 0.00 0.96 0.00 0.00 59 V 8.63 4.35 2.11 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 0.90 0.00 0.00 0.95 0.00 0.00 60 L 9.02 5.18 0.00 1.91 1.53 0.99 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 61 E 9.56 5.09 0.00 1.95 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 2.25 2.25 0.00 62 V 8.94 4.54 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 0.95 0.00 0.00 0.90 0.00 0.00 63 G 8.13 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 0.00 0.00 0.00 64 F 8.37 5.63 0.00 3.35 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 65 R 8.83 4.07 0.00 1.97 1.93 0.00 3.10 0.00 0.00 3.19 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.02 0.00 66 L 8.30 4.38 0.00 1.60 1.55 0.86 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 67 E 8.81 4.01 0.00 2.00 1.90 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 2.36 2.41 0.00 68 E 8.64 3.46 0.00 2.09 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 2.17 2.23 0.00 *69 T 8.44 4.16 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 1.21 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.