NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 T 4.2262 8.1701 117.3741 63.1853 69.8494 173.4767 3 A 4.0989 8.3884 127.8494 51.5632 19.2302 175.0463 4 L 4.6585 8.3868 120.9190 52.6741 44.6265 175.4043 5 A 4.1262 8.2856 125.5539 51.5261 19.0803 177.1652 6 K 4.0239 8.4644 123.1627 55.6188 32.5155 175.3853 7 P 4.6083 0.0000 0.0000 61.2120 33.0743 174.8884 8 Q 4.1162 8.3978 119.6763 56.4546 29.0893 175.2088 9 M 4.7024 8.6471 122.7077 54.8334 33.9245 175.4495 10 R 4.6310 7.7874 117.2386 54.9677 33.2912 175.1080 11 G 4.0839 8.5905 106.0462 46.5705 0.0000 176.0709 12 L 4.0080 7.9078 120.7930 57.1570 41.7789 178.5997 13 L 3.9205 7.8435 119.7127 58.1599 42.1459 178.7094 14 A 4.0251 7.9570 120.2846 54.9553 18.4496 179.4125 15 R 3.8279 8.1103 117.3468 59.7182 30.2570 178.8228 16 R 3.9955 8.0629 118.5379 59.0927 29.9315 178.1794 17 L 3.9354 8.0628 120.2880 58.1313 42.2875 178.5536 18 R 3.8863 8.1893 118.8552 59.6159 30.0594 177.8184 19 F 3.9852 8.1081 119.5010 62.0037 39.3574 176.9052 20 H 4.3423 8.5030 115.2604 58.5215 28.5080 177.9405 21 I 3.7462 8.1530 122.3885 64.1842 36.8838 178.5776 22 V 3.6944 7.7382 118.9047 65.7892 31.2787 178.3142 23 G 3.4554 7.7625 104.7979 47.8021 0.0000 175.3068 24 A 3.9949 8.1800 123.7894 54.7886 18.3194 179.5222 25 F 4.1684 8.2682 118.9288 61.7607 39.4713 177.1632 26 M 3.7981 8.0810 118.2674 58.5196 31.7675 179.0054 27 V 3.5657 8.0087 118.3957 65.9761 31.5381 178.2145 28 S 4.1913 7.9642 115.0198 61.6212 62.6958 176.7106 29 L 3.9868 7.8167 121.7930 57.6120 41.3175 179.8083 30 G 3.6021 8.2581 105.9078 47.7341 0.0000 175.5966 31 F 4.2963 8.8138 123.3923 60.7874 39.3265 176.9817 32 A 3.8218 8.3804 120.7131 55.5317 18.0091 179.4066 33 T 3.8055 7.6627 112.6135 66.9384 68.8500 176.1743 34 F 4.2595 8.2879 122.0650 61.4048 39.4958 176.3789 35 Y 3.6311 8.1957 119.5002 60.3502 38.4434 178.7620 36 K 4.5533 8.1180 118.2154 55.8396 33.1243 177.2942 37 F 4.8059 7.5563 119.9384 59.6928 45.9359 175.3334 38 A 3.7005 7.8626 120.6290 52.8561 18.7620 177.1652 39 V 3.8311 7.2776 113.8304 63.4129 33.3775 177.1238 40 A 3.9056 7.2430 120.7198 55.3146 18.2178 179.1870 41 E 3.8547 7.8903 115.5517 59.0777 29.5896 179.3053 42 K 3.6596 7.3200 118.3188 59.5991 32.1395 178.6460 43 R 3.9282 7.8998 118.6412 59.5468 30.0124 178.6582 44 K 4.0872 8.0648 118.2918 59.2340 31.9426 179.3803 45 K 3.9860 8.4773 120.1732 59.2227 32.1036 178.6075 46 A 3.9136 8.2766 121.4476 55.5361 18.2742 179.3368 47 Y 3.6022 7.9989 114.4318 61.0221 37.8878 178.3953 48 A 4.1787 8.2627 121.7316 55.3493 18.2875 179.4459 49 D 4.3285 8.6839 116.7910 57.3414 40.9669 178.4911 50 F 4.0646 8.0611 119.9671 61.5644 39.5776 176.3773 51 Y 4.4991 8.0045 112.8851 58.8755 37.8834 177.3466 52 R 4.1842 7.6717 120.6545 58.8243 30.5919 177.9772 53 N 5.0532 7.8616 113.8886 52.7531 39.6542 173.9814 54 Y 4.0537 8.1013 119.1350 57.1475 39.8339 174.3493 55 D 4.5397 7.7573 126.1905 52.1220 42.8729 176.4030 56 S 3.8123 7.9780 123.6651 61.5101 63.1276 176.1868 57 M 4.1680 7.9697 121.8958 57.9975 31.8192 178.3977 58 K 3.9576 8.0694 119.3982 59.3673 32.4489 178.1766 59 D 4.3290 8.0717 118.2959 57.3554 41.1593 177.8706 60 F 4.3763 8.6760 121.5633 61.4302 39.3223 176.5166 61 E 3.6071 8.7558 119.1791 59.3860 29.5257 178.6659 62 E 3.9320 8.2030 118.4326 59.6815 29.3369 179.3467 63 M 3.9225 7.9592 118.7484 58.1381 31.9356 178.7915 64 R 3.9722 8.0402 119.2406 59.4932 30.0503 178.7927 65 K 3.9005 8.0865 117.0500 59.2251 32.0688 178.7469 66 A 4.1619 7.5696 119.3542 52.6122 18.3929 177.7953 67 G 3.7752 7.9219 105.4762 46.4368 0.0000 175.0938 68 I 3.8184 7.0147 115.4708 62.3647 38.1683 176.4858 69 F 4.8284 7.5143 118.7595 57.2734 39.6700 175.2136 70 Q 4.3672 8.8975 122.3311 57.6270 29.3292 177.1793 71 S 4.4014 8.1434 109.8893 58.5060 63.9554 173.6469 72 A 4.5806 7.9321 122.7347 50.4809 20.3827 175.7939 73 K 4.2510 8.7145 120.3704 57.3645 32.3508 177.1027 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 T 8.17 4.23 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 3 A 8.39 4.10 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.39 4.66 0.00 1.62 1.57 0.92 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 5 A 8.29 4.13 1.23 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 0.00 0.00 6 K 8.46 4.02 0.00 1.72 1.74 0.00 1.77 0.00 0.00 1.75 0.00 0.00 3.02 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.41 1.42 7.81 7 P 0.00 4.61 0.00 2.20 2.05 0.00 3.81 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.93 0.00 8 Q 8.40 4.12 0.00 2.02 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.05 6.83 0.00 0.00 0.00 0.00 0.00 2.33 2.32 0.00 9 M 8.65 4.70 0.00 1.99 2.02 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.50 0.00 10 R 7.79 4.63 0.00 1.76 1.81 0.00 3.36 0.00 0.00 3.23 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.58 0.00 11 G 8.59 4.08 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 0.00 0.00 0.00 12 L 7.91 4.01 0.00 1.70 1.72 0.91 0.48 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 13 L 7.84 3.92 0.00 1.75 1.66 0.92 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 14 A 7.96 4.03 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.11 3.83 0.00 2.00 2.09 0.00 3.24 0.00 0.00 3.07 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.78 0.00 16 R 8.06 4.00 0.00 2.05 2.13 0.00 3.16 0.00 0.00 3.11 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.69 0.00 17 L 8.06 3.94 0.00 1.84 1.90 0.94 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 18 R 8.19 3.89 0.00 2.00 2.17 0.00 3.18 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 1.67 1.67 0.00 19 F 8.11 3.99 0.00 3.15 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 20 H 8.50 4.34 0.00 3.39 3.39 0.00 5.87 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 I 8.15 3.75 1.96 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 1.58 0.91 0.90 0.00 0.00 22 V 7.74 3.69 2.17 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 0.95 0.00 0.00 0.90 0.00 0.00 23 G 7.76 3.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 A 8.18 3.99 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 25 F 8.27 4.17 0.00 3.09 3.29 0.00 0.00 0.00 0.00 0.00 0.00 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 M 8.08 3.80 0.00 2.03 2.19 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 3.02 0.00 27 V 8.01 3.57 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 1.03 0.00 0.00 0.97 0.00 0.00 28 S 7.96 4.19 0.00 4.07 3.90 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 29 L 7.82 3.99 0.00 1.64 1.55 0.29 0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 30 G 8.26 3.60 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 0.00 0.00 0.00 31 F 8.81 4.30 0.00 3.07 3.34 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 32 A 8.38 3.82 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 33 T 7.66 3.81 4.45 0.00 0.00 0.00 0.00 0.00 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 34 F 8.29 4.26 0.00 3.12 3.21 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 35 Y 8.20 3.63 0.00 2.45 2.75 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.12 4.55 0.00 1.86 1.84 0.00 1.79 0.00 0.00 1.66 0.00 0.00 3.00 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.55 1.55 7.81 37 F 7.56 4.81 0.00 2.89 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 38 A 7.86 3.70 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.28 3.83 0.87 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 0.60 0.00 0.00 0.43 0.00 0.00 40 A 7.24 3.91 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 7.89 3.85 0.00 1.90 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 2.51 2.33 0.00 42 K 7.32 3.66 0.00 1.70 1.74 0.00 1.42 0.00 0.00 1.42 0.00 0.00 2.79 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.31 1.28 7.81 43 R 7.90 3.93 0.00 2.03 2.11 0.00 3.23 0.00 0.00 3.27 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.81 0.00 44 K 8.06 4.09 0.00 1.99 1.86 0.00 1.71 0.00 0.00 1.57 0.00 0.00 2.89 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.45 1.56 7.81 45 K 8.48 3.99 0.00 1.79 1.76 0.00 1.63 0.00 0.00 1.61 0.00 0.00 2.94 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.56 1.53 7.81 46 A 8.28 3.91 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 47 Y 8.00 3.60 0.00 3.17 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 48 A 8.26 4.18 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 D 8.68 4.33 0.00 2.85 2.75 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.06 4.06 0.00 2.81 2.83 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 0.00 0.00 0.00 51 Y 8.00 4.50 0.00 3.26 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 52 R 7.67 4.18 0.00 1.99 2.12 0.00 3.22 0.00 0.00 3.24 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.71 0.00 53 N 7.86 5.05 0.00 2.67 2.73 0.00 0.00 6.85 7.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 Y 8.10 4.05 0.00 2.79 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 55 D 7.76 4.54 0.00 2.56 2.32 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 56 S 7.98 3.81 0.00 4.16 4.21 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 57 M 7.97 4.17 0.00 2.09 2.14 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.68 2.51 0.00 58 K 8.07 3.96 0.00 1.91 1.87 0.00 1.67 0.00 0.00 1.68 0.00 0.00 3.06 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.59 1.47 7.81 59 D 8.07 4.33 0.00 2.89 2.91 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 60 F 8.68 4.38 0.00 3.14 3.36 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 61 E 8.76 3.61 0.00 2.32 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 2.32 2.37 0.00 62 E 8.20 3.93 0.00 2.24 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 2.31 2.50 0.00 63 M 7.96 3.92 0.00 1.63 2.35 0.00 0.00 0.00 0.00 0.00 2.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.92 2.50 0.00 64 R 8.04 3.97 0.00 1.25 1.76 0.00 3.33 0.00 0.00 3.19 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.94 0.00 65 K 8.09 3.90 0.00 1.74 1.82 0.00 1.71 0.00 0.00 1.68 0.00 0.00 3.01 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.44 1.46 7.81 66 A 7.57 4.16 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 G 7.92 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 68 I 7.01 3.82 1.60 0.00 0.00 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.54 -0.36 0.71 0.00 0.00 69 F 7.51 4.83 0.00 3.40 3.01 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 70 Q 8.90 4.37 0.00 2.13 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.94 0.00 0.00 0.00 0.00 0.00 2.37 2.40 0.00 71 S 8.14 4.40 0.00 3.97 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 72 A 7.93 4.58 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 K 8.71 4.25 0.00 1.79 1.75 0.00 1.83 0.00 0.00 1.80 0.00 0.00 2.93 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.44 1.39 7.81