NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 6 L 4.1574 8.0433 120.6220 54.7624 42.6634 178.2184 7 Y 3.7307 8.3651 118.9033 61.5271 38.1178 175.9385 8 W 4.6573 8.6930 119.4790 59.7410 30.3033 177.0081 9 S 4.2851 7.5623 113.2356 59.0424 62.7316 174.3112 10 H 4.4654 8.9039 122.5785 58.4036 28.7962 174.7252 11 P 4.4862 0.0000 0.0000 62.1760 31.8575 175.4100 12 R 4.5554 8.1091 120.4521 54.1209 32.4778 175.3824 13 K 4.0653 8.8949 126.7511 58.9822 32.4062 175.9441 14 F 4.6599 7.6291 116.3951 57.7680 41.9626 172.6747 15 G 3.9268 6.0978 111.3641 43.9050 0.0000 172.3929 16 Q 4.2776 8.6267 122.9100 56.3693 29.2819 176.2068 17 G 3.9609 8.8094 111.1161 45.9448 0.0000 173.3697 18 S 4.0296 8.4426 117.2276 58.8008 63.6662 175.7037 19 R 3.7750 7.7130 119.4724 56.9423 28.7994 174.4314 20 S 4.5363 7.7798 111.6403 58.4414 66.5684 175.6973 21 C 4.8267 7.9927 116.5206 58.0966 30.2818 175.0584 22 R 3.8799 8.5408 121.3605 59.6684 29.8336 178.8493 23 V 3.7517 7.8678 115.8383 65.5625 33.4152 175.7773 24 C 4.4152 7.8582 115.4213 58.8761 30.1717 173.7422 25 S 5.8738 8.5952 108.1755 58.2803 64.1967 176.9879 26 N 4.5282 7.6106 119.0327 53.8922 38.9946 176.5324 27 R 3.8375 8.6072 121.8084 59.1224 30.5000 176.9517 28 H 4.6855 7.8522 113.4031 55.9793 29.9765 175.1269 29 G 4.0349 8.8741 110.9503 45.2253 0.0000 172.8033 30 L 4.4214 7.6301 121.0361 54.7027 42.7930 176.2834 31 I 4.6244 7.8978 126.1424 59.2644 40.3653 176.4944 32 R 3.6621 8.8018 125.7689 59.2548 30.2649 177.4554 33 K 3.7403 7.8507 117.7170 59.7014 32.2861 177.3206 34 Y 3.8803 7.2724 114.9094 59.5272 38.1684 177.3925 35 G 3.9357 9.2642 107.8063 45.2399 0.0000 173.1369 36 L 4.8727 7.5550 120.3694 53.6941 40.3642 176.9469 37 N 4.7406 8.4235 121.0334 56.1628 39.1567 176.6564 38 M 4.6659 8.5664 116.4874 57.3844 32.6024 175.4885 39 C 5.0443 7.2517 109.8390 56.7184 31.7634 174.7070 40 R 3.8769 8.0752 119.8481 59.2561 29.4562 178.9376 41 Q 3.9382 8.0893 119.1145 59.3706 29.0133 177.9187 42 C 4.3808 7.7579 120.7030 61.9454 31.3884 175.3240 43 F 4.0929 7.9790 120.5347 61.3137 39.0541 176.7155 44 R 3.8106 8.1846 116.8642 59.2633 29.6486 178.7366 45 Q 3.9464 8.2265 117.8637 57.9697 29.5034 176.2670 46 Y 4.4083 7.3950 118.8435 56.3539 34.9905 176.1941 47 A 3.4095 7.2965 125.3332 54.7695 18.9096 179.4686 48 K 4.0284 7.8590 115.6662 59.5361 32.5955 177.7726 49 D 4.5697 7.7817 116.8931 56.6223 41.2159 176.4536 50 I 4.6342 7.2485 116.7835 58.7455 39.6843 175.6414 51 G 3.7782 8.7906 113.5950 46.2533 0.0000 172.3755 52 F 4.8988 8.4044 125.1987 57.4688 42.2588 172.4364 53 I 4.3888 5.8909 123.5062 58.1267 40.7505 175.2322 54 K 4.0425 8.6086 124.1903 57.0543 31.8468 176.3888 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 6 L 8.04 4.16 0.00 1.74 1.47 0.97 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 7 Y 8.37 3.73 0.00 2.46 2.66 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 0.00 0.00 0.00 8 W 8.69 4.66 0.00 3.34 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 9 S 7.56 4.29 0.00 4.21 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 H 8.90 4.47 0.00 3.15 3.38 0.00 5.72 0.00 0.00 0.00 0.00 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 P 0.00 4.49 0.00 2.05 2.00 0.00 3.64 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.10 0.00 12 R 8.11 4.56 0.00 1.68 1.72 0.00 3.16 0.00 0.00 2.98 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.50 0.00 13 K 8.89 4.07 0.00 1.76 1.85 0.00 1.87 0.00 0.00 1.64 0.00 0.00 2.88 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.49 1.46 7.81 14 F 7.63 4.66 0.00 2.91 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 15 G 6.10 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 16 Q 8.63 4.28 0.00 2.09 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.32 0.00 0.00 0.00 0.00 0.00 2.51 2.50 0.00 17 G 8.81 3.96 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 0.00 0.00 0.00 18 S 8.44 4.03 0.00 3.94 3.97 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 19 R 7.71 3.78 0.00 1.93 1.99 0.00 3.30 0.00 0.00 3.12 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.67 0.00 20 S 7.78 4.54 0.00 3.78 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 21 C 7.99 4.83 0.00 3.19 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 22 R 8.54 3.88 0.00 1.87 2.05 0.00 3.33 0.00 0.00 3.16 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.74 0.00 23 V 7.87 3.75 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 0.94 0.00 0.00 24 C 7.86 4.42 0.00 2.96 2.29 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 25 S 8.60 5.87 0.00 3.98 3.87 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 26 N 7.61 4.53 0.00 2.89 2.78 0.00 0.00 7.04 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 27 R 8.61 3.84 0.00 1.59 1.81 0.00 3.10 0.00 0.00 3.18 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.59 0.00 28 H 7.85 4.69 0.00 3.16 3.20 0.00 5.66 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 29 G 8.87 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 30 L 7.63 4.42 0.00 1.59 1.58 1.06 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 31 I 7.90 4.62 2.11 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.80 1.01 0.00 0.00 32 R 8.80 3.66 0.00 1.74 1.91 0.00 3.25 0.00 0.00 3.13 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.59 0.00 33 K 7.85 3.74 0.00 1.34 0.88 0.00 1.42 0.00 0.00 1.45 0.00 0.00 2.94 0.00 0.00 2.71 0.00 0.00 0.00 0.00 0.59 0.66 7.81 34 Y 7.27 3.88 0.00 2.96 2.88 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 35 G 9.26 3.94 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 0.00 0.00 0.00 36 L 7.56 4.87 0.00 1.76 1.92 1.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 37 N 8.42 4.74 0.00 2.86 3.10 0.00 0.00 7.13 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 38 M 8.57 4.67 0.00 1.99 2.22 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.68 2.51 0.00 39 C 7.25 5.04 0.00 3.13 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 40 R 8.08 3.88 0.00 1.84 1.93 0.00 3.12 0.00 0.00 3.26 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.67 0.00 41 Q 8.09 3.94 0.00 2.11 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.90 0.00 0.00 0.00 0.00 0.00 2.42 2.41 0.00 42 C 7.76 4.38 0.00 3.03 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 43 F 7.98 4.09 0.00 2.82 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 44 R 8.18 3.81 0.00 1.84 1.90 0.00 3.42 0.00 0.00 3.32 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.80 0.00 45 Q 8.23 3.95 0.00 2.19 1.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.90 0.00 0.00 0.00 0.00 0.00 2.27 2.46 0.00 46 Y 7.39 4.41 0.00 3.06 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 47 A 7.30 3.41 1.22 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 48 K 7.86 4.03 0.00 1.82 1.92 0.00 1.78 0.00 0.00 1.64 0.00 0.00 2.87 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.44 1.38 7.81 49 D 7.78 4.57 0.00 2.77 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 50 I 7.25 4.63 2.39 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.99 1.10 0.00 0.00 51 G 8.79 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 52 F 8.40 4.90 0.00 3.27 3.32 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 53 I 5.89 4.39 1.67 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.98 0.51 0.00 0.00 54 K 8.61 4.04 0.00 1.73 1.68 0.00 1.93 0.00 0.00 1.77 0.00 0.00 2.99 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.45 1.41 7.81