NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 T 4.3517 8.1744 110.9435 61.3041 70.3786 173.4438 6 N 4.7740 7.9613 119.2047 53.2731 39.2438 173.2063 7 S 4.5098 8.8829 113.5649 57.3950 64.9444 173.1718 8 D 4.7861 8.5955 121.1924 54.9272 41.7612 175.5798 9 F 5.3122 7.9401 114.5139 55.3947 41.6353 173.8922 10 V 4.6036 8.8589 111.8597 59.4928 35.5030 174.9440 11 V 4.8232 8.7590 123.2400 61.2932 34.0534 174.3797 12 I 4.9632 9.0288 128.6042 59.3269 40.6797 174.1541 13 K 5.0643 9.0074 128.4562 54.1926 34.5269 175.0436 14 A 4.3890 8.7858 130.4144 52.3789 19.0944 177.4577 15 L 4.6563 9.0943 122.0959 54.7059 42.5650 176.0454 16 E 4.6914 7.7013 115.4837 54.7343 32.4014 174.4457 17 D 4.4516 8.3432 119.4573 55.7100 41.3474 176.9705 18 G 3.8792 8.4678 109.9176 45.5647 0.0000 173.8667 19 V 3.9061 7.6242 119.5616 62.8494 33.0310 174.4443 20 N 5.2810 9.0640 124.6170 51.5666 41.3240 173.8091 21 V 4.2634 8.7336 125.6465 61.6464 32.7721 174.2956 22 I 4.4130 8.7298 130.4582 59.5027 39.1900 175.2606 23 G 4.0447 8.8669 115.4883 45.1501 0.0000 172.6114 24 L 5.2860 8.7788 126.8731 53.5877 43.5886 176.5833 25 T 4.3948 8.9845 114.7337 61.7538 69.1802 174.2844 26 R 4.3370 7.9836 126.3498 57.2011 30.9208 174.8641 27 G 3.7641 8.8212 108.8903 44.1410 0.0000 173.0405 28 A 4.0546 8.6746 120.9432 54.5448 18.6331 177.7609 29 D 4.7624 7.8509 114.2573 53.5255 42.4001 176.1462 30 T 4.7178 8.2793 122.5129 61.4981 69.5784 172.6964 31 R 4.7499 9.0278 122.7457 54.0802 33.9805 173.9948 32 F 5.4625 8.7094 117.6699 57.3355 39.3622 175.8069 33 H 5.0080 8.9374 117.6382 56.2454 30.8200 173.8954 34 H 4.7921 7.6730 117.7334 54.9809 33.3820 172.1974 35 S 4.8734 8.2429 121.0135 56.6652 65.2005 172.9282 36 E 4.3706 8.9604 127.5589 54.9304 30.8484 174.9597 37 K 4.8766 8.5956 126.7486 55.4976 33.6382 176.0329 38 L 4.9778 8.9790 124.8802 53.1141 44.9647 175.8704 39 D 5.0493 9.3372 123.0207 52.3775 43.3810 176.0357 40 K 4.0330 9.1507 122.2928 58.4046 32.3871 177.1466 41 G 4.0316 9.0319 115.6203 45.1774 0.0000 173.5650 42 E 4.2677 8.0260 119.5169 56.2178 30.8657 175.9776 43 V 4.9298 8.2901 122.0384 61.0423 34.2063 174.1757 44 L 4.7330 9.0670 130.0377 53.2838 44.5885 174.8594 45 I 5.0778 8.4264 126.1134 59.5742 39.5114 174.6740 46 A 4.6870 8.9856 129.2477 50.0778 21.8097 175.4112 47 Q 4.7733 8.6738 121.2721 55.1806 30.2241 175.9361 48 F 4.6534 8.4453 120.5759 58.0343 38.4138 175.0213 49 T 4.6851 9.1427 111.5807 60.0433 72.0766 174.0408 50 E 4.0446 8.9643 121.7656 59.5869 29.4570 177.4246 51 H 4.5563 7.7983 113.4046 56.3968 29.7453 174.4203 52 T 5.3348 8.1830 117.0372 61.8893 70.8855 174.5411 53 S 4.9786 9.0362 120.1023 58.0420 65.0847 173.4769 54 A 5.1832 8.0101 121.5781 50.8534 22.7615 174.9003 55 I 4.8901 8.5795 120.3721 59.3195 40.4844 174.7807 56 K 4.5624 8.9617 128.3308 54.5183 34.7031 174.6344 57 V 4.7807 8.4049 126.9267 61.3185 33.2286 174.6256 58 R 4.5626 9.0985 127.2403 55.6162 32.8099 177.1153 59 G 4.2317 8.9656 107.8395 44.7788 0.0000 172.7093 60 K 4.7619 9.8124 118.5657 55.4019 32.9141 176.5837 61 A 5.1001 8.5868 124.8643 50.6625 23.4171 173.6546 62 Y 4.9855 9.0234 121.2343 56.0155 41.2360 174.5772 63 I 4.8897 8.2784 127.0797 59.5049 40.8451 174.2479 64 Q 5.0466 8.9460 126.1849 54.2883 31.7630 174.9359 65 T 4.6607 8.5349 112.9553 59.4015 72.5035 174.5156 66 R 3.7039 8.5513 120.8410 59.6896 29.7379 176.3881 67 H 4.7124 8.2582 111.9165 55.1246 29.2597 174.2879 68 G 3.7502 6.7425 106.4191 44.0608 0.0000 173.2513 69 V 4.7579 7.7746 112.2013 59.9587 34.8390 175.0884 70 I 4.4050 7.9363 120.7078 60.2599 41.9235 172.7283 71 E 5.2946 8.6858 126.1280 54.5445 31.8364 176.0586 72 S 4.5655 8.7244 119.1339 57.7018 65.1765 174.7926 73 E 4.8161 8.4663 118.1597 56.4260 31.6063 175.8073 74 G 3.8432 8.3240 113.9125 46.0735 0.0000 173.9361 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 5 T 8.17 4.35 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 1.22 0.00 0.00 6 N 7.96 4.77 0.00 2.78 2.83 0.00 0.00 7.16 6.75 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 7 S 8.88 4.51 0.00 4.13 3.95 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 0.00 0.00 0.00 8 D 8.60 4.79 0.00 2.78 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 9 F 7.94 5.31 0.00 2.98 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 10 V 8.86 4.60 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 0.59 0.00 0.00 0.88 0.00 0.00 11 V 8.76 4.82 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 1.19 0.00 0.00 1.18 0.00 0.00 12 I 9.03 4.96 1.86 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.53 0.91 0.00 0.00 13 K 9.01 5.06 0.00 1.89 1.80 0.00 1.66 0.00 0.00 1.67 0.00 0.00 2.85 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.37 1.39 7.81 14 A 8.79 4.39 1.35 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 0.00 0.00 0.00 15 L 9.09 4.66 0.00 1.55 1.73 0.98 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 16 E 7.70 4.69 0.00 2.02 1.88 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 2.19 2.33 0.00 17 D 8.34 4.45 0.00 2.69 2.64 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.47 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 0.00 0.00 0.00 19 V 7.62 3.91 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 1.06 0.00 0.00 0.96 0.00 0.00 20 N 9.06 5.28 0.00 2.59 2.59 0.00 0.00 6.43 7.66 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 21 V 8.73 4.26 2.03 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 0.98 0.00 0.00 0.89 0.00 0.00 22 I 8.73 4.41 1.37 0.00 0.00 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 0.47 -0.65 0.00 0.00 23 G 8.87 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 L 8.78 5.29 0.00 1.91 1.71 0.97 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 25 T 8.98 4.39 4.32 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 1.34 0.00 0.00 26 R 7.98 4.34 0.00 1.89 1.99 0.00 3.20 0.00 0.00 3.08 7.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.45 0.00 27 G 8.82 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 28 A 8.67 4.05 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 7.85 4.76 0.00 2.66 2.59 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.28 4.72 4.26 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 1.27 0.00 0.00 31 R 9.03 4.75 0.00 1.83 1.99 0.00 2.78 0.00 0.00 3.35 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.65 0.00 32 F 8.71 5.46 0.00 2.88 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 33 H 8.94 5.01 0.00 3.15 3.49 0.00 5.78 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 H 7.67 4.79 0.00 3.28 3.06 0.00 5.80 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 S 8.24 4.87 0.00 3.62 3.77 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.96 4.37 0.00 2.14 1.80 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 2.26 2.32 0.00 37 K 8.60 4.88 0.00 1.64 1.71 0.00 1.60 0.00 0.00 1.69 0.00 0.00 3.07 0.00 0.00 2.72 0.00 0.00 0.00 0.00 1.38 1.68 7.81 38 L 8.98 4.98 0.00 1.52 1.52 0.91 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 39 D 9.34 5.05 0.00 2.70 2.57 0.00 0.00 0.00 0.00 0.00 0.00 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 K 9.15 4.03 0.00 1.74 1.74 0.00 1.79 0.00 0.00 1.71 0.00 0.00 3.02 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.46 1.48 7.81 41 G 9.03 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 42 E 8.03 4.27 0.00 2.06 1.87 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 2.32 2.25 0.00 43 V 8.29 4.93 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 0.85 0.00 0.00 0.96 0.00 0.00 44 L 9.07 4.73 0.00 1.73 1.46 0.90 0.78 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 45 I 8.43 5.08 1.75 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 1.26 0.79 0.65 0.00 0.00 46 A 8.99 4.69 1.11 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 0.00 0.00 0.00 47 Q 8.67 4.77 0.00 1.97 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.77 6.92 0.00 0.00 0.00 0.00 0.00 2.47 2.40 0.00 48 F 8.45 4.65 0.00 3.03 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 49 T 9.14 4.69 4.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 50 E 8.96 4.04 0.00 1.92 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 0.00 2.01 2.28 0.00 51 H 7.80 4.56 0.00 3.27 3.17 0.00 5.80 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 T 8.18 5.33 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 1.33 0.00 0.00 53 S 9.04 4.98 0.00 3.80 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 0.00 54 A 8.01 5.18 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.58 4.89 1.85 0.00 0.00 0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.66 0.83 0.00 0.00 56 K 8.96 4.56 0.00 1.81 1.53 0.00 1.71 0.00 0.00 1.67 0.00 0.00 2.90 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.33 1.38 7.81 57 V 8.40 4.78 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 0.85 0.00 0.00 0.90 0.00 0.00 58 R 9.10 4.56 0.00 1.75 1.78 0.00 3.20 0.00 0.00 3.20 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.53 0.00 59 G 8.97 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 0.00 0.00 0.00 0.00 60 K 9.81 4.76 0.00 1.70 1.78 0.00 1.66 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 1.47 1.40 7.81 61 A 8.59 5.10 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 62 Y 9.02 4.99 0.00 3.04 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 63 I 8.28 4.89 1.84 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.82 0.82 0.00 0.00 64 Q 8.95 5.05 0.00 1.94 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.56 0.00 0.00 0.00 0.00 0.00 2.18 2.14 0.00 65 T 8.53 4.66 4.12 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 0.00 0.00 1.15 0.00 0.00 66 R 8.55 3.70 0.00 1.68 1.68 0.00 3.32 0.00 0.00 3.18 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.59 0.00 67 H 8.26 4.71 0.00 3.20 3.27 0.00 5.69 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 G 6.74 3.75 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 0.00 0.00 0.00 69 V 7.77 4.76 1.75 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 0.71 0.00 0.00 1.00 0.00 0.00 70 I 7.94 4.41 1.82 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 1.04 0.83 0.00 0.00 71 E 8.69 5.29 0.00 1.92 1.87 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 2.51 2.51 0.00 72 S 8.72 4.57 0.00 3.92 3.98 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 73 E 8.47 4.82 0.00 1.93 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 2.23 2.31 0.00 74 G 8.32 3.84 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 0.00