NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 G 3.9266 8.3544 109.7470 45.7750 0.0000 172.0219 3 Y 4.4760 8.0341 128.1480 54.3654 41.8732 173.4083 4 S 4.2995 9.0122 115.7443 59.3810 64.1849 173.9534 5 S 4.6876 8.5092 116.9036 58.2166 63.2302 173.9665 6 D 4.6845 7.7486 120.6618 53.8497 41.5627 176.2377 7 T 4.2080 8.1237 111.4490 62.0064 69.6153 173.6269 8 T 4.6694 7.9285 115.6942 59.4815 70.5283 171.5643 9 P 4.5316 0.0000 0.0000 62.7806 32.2024 176.2128 10 C 5.0259 8.6048 118.1516 55.2323 43.6801 173.6783 11 C 4.9658 8.0501 117.9718 55.4285 41.9751 174.1522 12 F 4.4818 8.4075 118.9153 56.8965 40.4901 174.6602 13 A 4.3564 7.4477 121.5300 51.1095 21.7815 174.9687 14 Y 5.1342 7.9202 117.5317 55.7326 40.3023 176.0660 15 I 3.8572 8.7329 124.6698 61.2291 38.7556 175.9840 16 A 4.2903 8.8198 130.4705 54.4041 18.7072 177.8538 17 R 4.5046 7.4653 112.2840 53.1530 33.0929 174.0012 18 P 2.0000 0.0000 0.0000 61.8917 31.6113 176.5621 19 M 4.2001 7.6742 119.7964 54.0952 32.2750 174.3524 20 P 4.2524 0.0000 0.0000 62.3624 32.2885 177.6019 21 R 3.1984 8.6160 123.0310 59.1900 30.0160 178.0898 22 A 4.0585 7.6947 118.5788 54.3796 18.7055 177.2632 23 H 4.8129 8.1461 112.3748 55.5588 29.2884 174.3801 24 I 4.9717 7.4815 121.6299 59.4039 38.6295 175.3852 25 K 4.6771 8.8983 123.1573 57.0664 34.7612 175.5224 26 E 5.1093 8.1486 118.9479 55.6067 34.3918 173.1716 27 Y 5.4936 8.3987 118.0733 56.1928 41.4418 173.5405 28 F 4.5730 8.5088 114.3490 56.0353 41.9727 172.3917 29 Y 5.0716 8.5642 116.8512 56.5880 39.4658 176.1665 30 T 4.4433 8.5124 113.4181 60.9958 70.3536 174.3393 31 S 4.1125 8.9160 116.7218 58.8378 62.6433 175.5853 32 G 3.7691 8.5395 114.8579 47.4485 0.0000 174.7435 33 K 4.0464 7.8570 119.1053 58.8738 32.2965 177.1567 34 C 4.5731 7.8525 116.1662 56.3316 40.6775 174.0549 35 S 4.1031 8.5857 116.7680 60.4452 62.9988 174.2849 36 N 5.0210 7.5646 117.1471 50.0966 40.6714 172.5711 37 P 4.4423 0.0000 0.0000 63.0066 32.4672 175.3730 38 A 4.6690 8.1913 120.8420 50.9668 23.1663 175.1552 39 V 4.0041 8.1369 120.5760 61.1897 33.8489 174.9057 40 V 4.4274 8.0843 126.9867 60.9770 33.8587 174.0741 41 F 5.2121 8.9791 127.7504 56.5108 40.8742 174.9695 42 V 4.8315 9.0770 124.6247 61.9153 33.0977 175.9170 43 T 5.0481 9.0519 119.3260 60.8174 70.8938 175.5587 44 R 4.1678 8.6907 119.2906 57.5982 30.2310 177.7233 45 K 4.3350 7.9476 116.3029 55.8462 32.2433 176.1389 46 N 4.4178 8.2153 115.1446 54.2133 36.5042 174.3187 47 R 4.4507 7.6967 117.9866 55.9893 31.9654 174.8205 48 Q 5.2405 8.6146 121.9487 54.1456 31.1975 175.1833 49 V 4.5075 8.7016 123.5416 61.1561 34.8084 173.8773 50 C 5.0522 8.9261 125.0885 56.9011 42.0278 172.4440 51 A 5.0872 8.9912 124.0963 49.9309 23.1370 175.0355 52 N 3.1527 8.0536 118.5658 52.0023 38.7269 174.2989 53 P 4.1371 0.0000 0.0000 64.4326 31.5400 177.0813 54 E 4.2445 8.0591 116.9398 56.9114 30.3839 177.4588 55 K 4.0506 7.5009 120.0259 55.3957 33.8247 177.7524 56 K 3.8680 8.5383 123.8221 60.1172 32.4324 179.5211 57 W 4.1249 7.9815 117.8687 58.7773 28.0784 178.3477 58 V 2.8101 6.3426 118.5771 65.6239 30.9584 178.1301 59 R 3.8549 7.7461 117.7689 59.1524 29.7430 178.9662 60 E 4.0661 8.3528 118.6104 59.5479 29.4534 178.9202 61 Y 4.1397 8.4710 117.0932 61.1315 37.8428 178.6900 62 I 3.3896 7.9311 120.7345 64.3546 37.2691 178.2549 63 N 4.3516 8.2141 117.3616 56.3006 38.1100 177.4982 64 S 4.1128 8.0742 113.9077 61.4153 62.6202 176.0144 65 L 4.1805 8.4292 120.7702 57.5628 41.3993 178.8432 66 E 4.2759 8.2679 117.9484 57.4085 29.9751 176.8528 67 M 4.3858 7.2654 116.0046 54.2282 32.6181 176.2356 68 S 4.3566 8.3723 114.6469 59.3657 62.7092 176.3380 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 Y 8.03 4.48 0.00 2.97 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 4 S 9.01 4.30 0.00 4.10 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 5 S 8.51 4.69 0.00 3.99 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 6 D 7.75 4.68 0.00 2.72 2.65 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 0.00 0.00 0.00 0.00 7 T 8.12 4.21 4.27 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 1.23 0.00 0.00 8 T 7.93 4.67 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 1.21 0.00 0.00 9 P 0.00 4.53 0.00 2.36 2.14 0.00 3.79 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.09 0.00 10 C 8.60 5.03 0.00 2.87 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 11 C 8.05 4.97 0.00 2.79 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 12 F 8.41 4.48 0.00 2.96 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 13 A 7.45 4.36 1.18 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 0.00 0.00 0.00 14 Y 7.92 5.13 0.00 3.02 2.79 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 15 I 8.73 3.86 2.04 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.70 1.35 0.00 0.00 16 A 8.82 4.29 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 17 R 7.47 4.50 0.00 1.61 1.63 0.00 3.36 0.00 0.00 3.16 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.49 0.00 18 P 0.00 2.00 0.00 1.41 0.59 0.00 3.22 0.00 0.00 3.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.44 0.00 19 M 7.67 4.20 0.00 2.16 2.11 0.00 0.00 0.00 0.00 0.00 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.68 2.64 0.00 20 P 0.00 4.25 0.00 1.84 1.84 0.00 3.61 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.00 0.00 21 R 8.62 3.20 0.00 1.15 1.64 0.00 2.56 0.00 0.00 2.25 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.40 0.00 22 A 7.69 4.06 1.20 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 0.00 0.00 23 H 8.15 4.81 0.00 3.31 3.30 0.00 5.59 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 I 7.48 4.97 1.70 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.54 0.96 0.00 0.00 25 K 8.90 4.68 0.00 1.75 1.92 0.00 1.64 0.00 0.00 1.74 0.00 0.00 3.25 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.59 1.45 7.81 26 E 8.15 5.11 0.00 2.03 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 2.37 2.39 0.00 27 Y 8.40 5.49 0.00 2.68 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 28 F 8.51 4.57 0.00 2.99 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 29 Y 8.56 5.07 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 30 T 8.51 4.44 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 1.27 0.00 0.00 31 S 8.92 4.11 0.00 3.86 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 32 G 8.54 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 0.00 0.00 0.00 33 K 7.86 4.05 0.00 1.67 1.80 0.00 1.46 0.00 0.00 1.41 0.00 0.00 2.20 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.28 1.18 7.81 34 C 7.85 4.57 0.00 2.99 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 S 8.59 4.10 0.00 4.02 4.07 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 36 N 7.56 5.02 0.00 2.65 2.73 0.00 0.00 6.92 8.02 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 37 P 0.00 4.44 0.00 2.20 2.06 0.00 3.84 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 1.98 0.00 38 A 8.19 4.67 1.21 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 0.00 0.00 39 V 8.14 4.00 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 -0.28 0.00 0.00 0.13 0.00 0.00 40 V 8.08 4.43 0.67 0.00 0.00 0.00 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 0.52 0.00 0.00 41 F 8.98 5.21 0.00 3.11 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 42 V 9.08 4.83 2.23 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 1.16 0.00 0.00 1.16 0.00 0.00 43 T 9.05 5.05 4.41 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 1.30 0.00 0.00 44 R 8.69 4.17 0.00 1.85 2.03 0.00 3.26 0.00 0.00 3.24 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.63 0.00 45 K 7.95 4.34 0.00 1.75 1.83 0.00 1.83 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.37 1.42 7.81 46 N 8.22 4.42 0.00 2.91 2.99 0.00 0.00 6.82 8.14 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 47 R 7.70 4.45 0.00 2.01 1.84 0.00 3.13 0.00 0.00 3.20 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.70 0.00 48 Q 8.61 5.24 0.00 2.04 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.66 6.46 0.00 0.00 0.00 0.00 0.00 2.42 2.42 0.00 49 V 8.70 4.51 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 1.04 0.00 0.00 50 C 8.93 5.05 0.00 3.11 3.09 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 51 A 8.99 5.09 0.99 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 0.00 0.00 0.00 0.00 0.00 52 N 8.05 3.15 0.00 1.87 2.26 0.00 0.00 7.03 7.71 0.00 0.00 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 P 0.00 4.14 0.00 2.05 2.20 0.00 3.27 0.00 0.00 3.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.11 0.00 54 E 8.06 4.24 0.00 1.97 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 2.22 2.17 0.00 55 K 7.50 4.05 0.00 1.33 1.28 0.00 1.80 0.00 0.00 1.69 0.00 0.00 3.03 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.30 1.50 7.81 56 K 8.54 3.87 0.00 1.95 2.06 0.00 1.58 0.00 0.00 1.91 0.00 0.00 3.36 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.59 1.50 7.81 57 W 7.98 4.12 0.00 3.26 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 58 V 6.34 2.81 1.63 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 0.57 0.00 0.00 -0.82 0.00 0.00 59 R 7.75 3.85 0.00 1.95 1.91 0.00 3.12 0.00 0.00 3.19 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.69 0.00 60 E 8.35 4.07 0.00 2.33 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 0.00 2.37 2.67 0.00 61 Y 8.47 4.14 0.00 3.07 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 62 I 7.93 3.39 1.80 0.00 0.00 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.03 0.36 0.66 0.00 0.00 63 N 8.21 4.35 0.00 2.94 2.89 0.00 0.00 6.69 6.66 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 64 S 8.07 4.11 0.00 3.84 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 65 L 8.43 4.18 0.00 1.90 1.92 1.24 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 66 E 8.27 4.28 0.00 2.20 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.74 0.00 67 M 7.27 4.39 0.00 2.18 2.07 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.65 0.00 68 S 8.37 4.36 0.00 3.82 3.73 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