NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 V 4.0715 8.0393 114.0410 61.3842 33.9252 176.6382 2 V 3.7364 7.7590 118.3525 63.3284 33.5482 174.3826 3 S 4.2358 8.7068 121.1468 58.5570 69.0472 178.3898 4 H 4.5203 7.5057 121.3510 56.7889 33.0589 172.9427 5 F 4.9173 6.2911 115.0479 54.9850 39.7327 175.2735 6 N 4.6974 8.9439 124.9094 52.7012 37.8905 177.6102 7 D 4.1656 9.0977 127.8200 56.0643 41.1358 176.3101 8 C 5.0102 8.9090 116.8086 55.0972 45.0178 172.0957 9 P 4.1362 0.0000 0.0000 63.2335 31.0707 175.2853 10 D 4.6377 8.2471 115.9727 54.9227 41.8407 178.0334 11 S 4.4114 7.7823 113.1570 60.9040 63.5979 175.7808 12 H 4.8761 7.4423 118.5937 55.2225 28.8143 177.4889 13 T 3.8629 8.1324 111.9997 63.7912 68.4881 173.3924 14 Q 4.3981 7.6590 117.8770 54.4184 28.9214 174.5856 15 F 4.6657 8.5143 124.7434 58.3610 40.7138 176.2018 16 C 4.7877 7.9213 114.8787 56.2665 43.3334 172.8495 17 F 3.3104 8.4314 121.5214 60.3100 38.9204 175.5902 18 H 4.3530 7.8535 128.6602 53.3896 28.0716 173.2153 19 G 4.8627 7.9712 112.9122 45.6220 0.0000 170.1415 20 T 4.3847 8.0043 116.9216 62.4486 69.8059 171.2752 21 C 5.5818 8.7578 114.5616 54.0397 44.4425 173.6801 22 R 4.7498 8.5365 118.4044 53.8054 32.8969 174.6698 23 F 4.7379 8.3894 121.0198 56.7701 41.6275 174.0874 24 L 4.0827 8.1026 127.8617 54.9638 40.0710 178.5741 25 V 4.0672 8.2054 122.9451 63.0304 31.9773 177.4443 26 Q 4.1794 7.8893 121.1269 58.3710 29.1950 176.0707 27 E 4.4761 7.7048 115.3520 56.0230 31.2033 175.3954 28 D 3.5815 8.0219 112.7658 54.1570 38.1324 172.4755 29 K 4.1328 5.9914 127.2755 55.1022 34.3079 172.3778 30 P 4.8390 0.0000 0.0000 62.7813 32.2436 175.2040 31 A 4.8789 8.6229 122.6814 50.9246 23.3647 173.7716 32 C 5.2614 8.8436 115.2420 55.5752 37.8076 175.0724 33 V 4.2704 8.9126 121.1078 61.3183 32.8757 173.3464 34 C 4.7801 8.5839 123.9198 56.3669 35.5429 173.7121 35 H 4.6248 8.6471 120.6723 54.9040 29.3539 174.9418 36 S 4.2795 8.7788 118.3503 61.5164 61.9760 174.4998 37 G 4.6003 7.9514 127.0700 46.1559 0.0000 170.3498 38 Y 4.8976 7.2809 116.9966 56.4691 40.4904 175.0872 39 V 4.5236 8.4616 114.0008 60.2918 36.3188 174.5280 40 G 4.3280 9.1271 107.8658 44.0531 0.0000 174.8220 41 A 4.0595 8.7299 123.8096 54.7144 17.9896 179.1528 42 R 4.5888 7.8251 113.1999 56.1903 30.7255 176.6762 43 C 4.4228 8.6719 113.0680 57.8396 38.6050 175.4560 44 E 3.6596 7.7140 121.1775 59.0885 29.3731 176.4130 45 H 4.9367 7.8469 115.4661 54.8268 31.4392 173.9483 46 A 4.5455 8.1877 119.2461 50.5196 22.0298 176.3665 47 D 4.2504 9.1491 122.0373 55.2388 40.0468 177.9580 48 L 3.6520 7.2720 124.1853 56.6867 41.7560 177.4461 49 L 4.3536 6.9635 115.6234 54.7359 43.9641 176.5601 50 A 4.1052 7.5041 128.0676 52.9060 18.9511 176.1122 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 1 V 8.04 4.07 2.05 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 0.88 0.00 0.00 0.89 0.00 0.00 2 V 7.76 3.74 2.05 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 0.58 0.00 0.00 0.94 0.00 0.00 3 S 8.71 4.24 0.00 3.30 2.63 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 4 H 7.51 4.52 0.00 2.82 3.10 0.00 5.64 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 F 6.29 4.92 0.00 3.11 3.07 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 6 N 8.94 4.70 0.00 2.84 2.90 0.00 0.00 6.59 8.13 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 7 D 9.10 4.17 0.00 2.81 2.36 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 8 C 8.91 5.01 0.00 2.89 2.87 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 9 P 0.00 4.14 0.00 1.81 1.64 0.00 3.59 0.00 0.00 3.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.22 0.00 10 D 8.25 4.64 0.00 2.58 2.69 0.00 0.00 0.00 0.00 0.00 0.00 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 S 7.78 4.41 0.00 3.94 3.92 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 12 H 7.44 4.88 0.00 3.17 3.46 0.00 5.64 0.00 0.00 0.00 0.00 6.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 T 8.13 3.86 4.22 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 1.23 0.00 0.00 14 Q 7.66 4.40 0.00 2.05 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.88 0.00 0.00 0.00 0.00 0.00 2.17 2.26 0.00 15 F 8.51 4.67 0.00 2.92 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 16 C 7.92 4.79 0.00 3.14 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 17 F 8.43 3.31 0.00 3.25 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 18 H 7.85 4.35 0.00 2.97 1.79 0.00 5.77 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 19 G 7.97 4.86 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 0.00 0.00 0.00 0.00 0.00 0.00 20 T 8.00 4.38 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 1.24 0.00 0.00 21 C 8.76 5.58 0.00 3.14 3.13 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 0.00 0.00 0.00 22 R 8.54 4.75 0.00 1.75 1.99 0.00 2.92 0.00 0.00 3.12 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.33 0.00 23 F 8.39 4.74 0.00 2.94 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 24 L 8.10 4.08 0.00 1.46 1.46 0.91 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 25 V 8.21 4.07 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 0.75 0.00 0.00 1.09 0.00 0.00 26 Q 7.89 4.18 0.00 1.99 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 7.46 0.00 0.00 0.00 0.00 0.00 2.29 2.30 0.00 27 E 7.70 4.48 0.00 1.85 1.78 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 2.17 2.24 0.00 28 D 8.02 3.58 0.00 2.93 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 K 5.99 4.13 0.00 1.60 1.46 0.00 1.64 0.00 0.00 1.79 0.00 0.00 3.05 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.32 1.33 7.81 30 P 0.00 4.84 0.00 0.69 1.78 0.00 3.67 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 2.01 0.00 31 A 8.62 4.88 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 32 C 8.84 5.26 0.00 2.94 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 33 V 8.91 4.27 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 0.98 0.00 0.00 0.89 0.00 0.00 34 C 8.58 4.78 0.00 3.04 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 35 H 8.65 4.62 0.00 3.39 3.33 0.00 5.62 0.00 0.00 0.00 0.00 6.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 S 8.78 4.28 0.00 3.90 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 G 7.95 4.60 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 38 Y 7.28 4.90 0.00 3.05 2.93 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 39 V 8.46 4.52 2.12 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 1.02 0.00 0.00 0.96 0.00 0.00 40 G 9.13 4.33 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 0.00 41 A 8.73 4.06 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 42 R 7.83 4.59 0.00 1.89 2.00 0.00 3.33 0.00 0.00 3.30 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.58 0.00 43 C 8.67 4.42 0.00 3.09 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 44 E 7.71 3.66 0.00 1.73 1.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.70 0.00 45 H 7.85 4.94 0.00 3.35 3.19 0.00 5.62 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 A 8.19 4.55 1.06 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 0.00 0.00 0.00 0.00 0.00 0.00 47 D 9.15 4.25 0.00 2.75 2.56 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.27 3.65 0.00 1.67 1.64 0.89 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 49 L 6.96 4.35 0.00 1.58 1.52 0.90 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 50 A 7.50 4.11 1.16 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 0.00 0.00 0.00