NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 H 4.2974 8.4449 120.3703 55.8742 31.0291 172.2265 3 Y 4.5363 6.9889 118.0337 56.5539 38.6659 172.5564 4 E 4.2796 9.3451 122.3195 56.5669 31.1775 176.0046 5 E 4.6399 8.5556 119.7705 55.0535 33.7173 175.2075 6 G 3.8593 8.7966 105.8235 43.6981 0.0000 171.1750 7 P 4.2745 0.0000 0.0000 64.2497 31.4089 177.4880 8 G 3.8585 8.8479 109.8748 45.7201 0.0000 173.7774 9 K 4.4151 8.0050 117.5186 56.0487 33.8959 176.1252 10 N 4.9064 7.8660 115.9999 52.3940 37.9925 174.6606 11 I 4.5020 7.0875 110.2782 59.4199 40.5863 173.1657 12 P 4.3878 0.0000 0.0000 63.5711 31.7143 175.7770 13 F 4.9568 7.0369 113.2795 54.9126 40.6786 174.2307 14 S 4.5512 8.5013 115.9809 57.5559 63.2157 174.2094 15 V 4.4979 7.9487 119.2769 61.1361 32.3943 176.7461 16 E 3.9761 8.2727 123.7988 58.2412 29.7669 177.0305 17 N 4.9202 7.8490 117.3015 51.0839 41.5800 174.9566 18 K 3.7469 8.3851 127.8813 59.3541 32.6214 178.9393 19 W 4.4546 7.7101 119.8756 59.2545 29.3041 178.3692 20 R 4.0105 8.7755 119.1965 59.1210 29.4226 178.3008 21 L 3.9344 8.1379 120.4536 58.0352 42.1080 178.6163 22 L 3.9505 7.9464 120.0321 58.1680 42.0052 178.8319 23 A 4.0574 8.1677 120.6125 55.3860 18.2602 179.5056 24 M 3.9764 8.2173 117.1839 59.0199 32.1049 179.0332 25 M 4.0214 8.3474 119.0139 58.5661 32.0705 179.1124 26 T 4.0231 8.0736 116.1197 66.5721 68.5834 176.8992 27 L 4.0383 8.0353 120.9727 58.0992 41.5553 178.7208 28 F 4.0974 8.4882 120.8041 61.6830 39.2056 177.1451 29 F 4.2970 8.7457 117.3006 60.3697 38.8912 178.2098 30 G 3.7341 8.4458 105.9029 47.7270 0.0000 175.9632 31 S 4.2796 8.6005 117.3825 61.0692 62.7390 176.8900 32 G 3.5209 7.5405 108.5543 47.6197 0.0000 175.2696 33 F 4.4351 8.2543 122.0060 60.7381 39.8010 176.7221 34 A 4.5015 8.5460 120.4943 54.5541 18.2596 179.0687 35 A 4.0448 8.0011 119.5949 55.4203 18.3283 178.1928 36 P 4.0978 0.0000 0.0000 65.5913 31.3426 178.8731 37 F 3.9144 7.8681 116.2201 60.5432 38.8283 177.4533 38 F 4.0698 8.4609 116.7806 59.9660 38.6559 178.0517 39 I 3.8218 7.9380 120.1158 64.1298 36.8814 178.4433 40 V 3.5177 7.9641 119.3653 65.9280 31.3660 178.0162 41 R 3.8168 8.0321 118.4501 59.5910 29.6629 177.8140 42 H 4.1692 8.1525 117.0017 59.6624 30.0667 176.9933 43 Q 4.0469 8.3392 119.8284 58.8516 27.0721 178.7451 44 L 4.1183 8.1681 120.2502 57.3319 41.4813 178.6314 45 L 3.9358 7.7274 116.3384 55.6556 41.9010 178.6126 46 K 4.1327 7.5351 117.6253 57.0630 32.2004 176.6874 47 K 3.9404 7.1058 123.9247 57.2494 34.0175 173.7120 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 H 8.44 4.30 0.00 3.00 3.23 0.00 5.69 0.00 0.00 0.00 0.00 6.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 Y 6.99 4.54 0.00 3.00 2.70 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 0.00 0.00 0.00 4 E 9.35 4.28 0.00 1.96 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 2.34 2.27 0.00 5 E 8.56 4.64 0.00 1.92 1.81 0.00 0.00 0.00 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 2.51 0.00 6 G 8.80 3.86 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 7 P 0.00 4.27 0.00 2.02 2.01 0.00 3.74 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.09 0.00 8 G 8.85 3.86 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 9 K 8.00 4.42 0.00 1.76 1.79 0.00 1.67 0.00 0.00 1.69 0.00 0.00 2.88 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.49 1.45 7.81 10 N 7.87 4.91 0.00 2.77 2.86 0.00 0.00 5.82 7.81 0.00 0.00 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 I 7.09 4.50 0.79 0.00 0.00 0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.27 0.67 0.00 0.00 12 P 0.00 4.39 0.00 2.20 2.16 0.00 3.62 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 1.98 0.00 13 F 7.04 4.96 0.00 3.01 2.85 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 14 S 8.50 4.55 0.00 3.83 3.81 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.95 4.50 2.07 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 0.86 0.00 0.00 0.86 0.00 0.00 16 E 8.27 3.98 0.00 1.91 1.97 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 2.32 2.29 0.00 17 N 7.85 4.92 0.00 2.77 2.65 0.00 0.00 6.95 6.99 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 18 K 8.39 3.75 0.00 1.50 1.72 0.00 0.91 0.00 0.00 1.12 0.00 0.00 2.73 0.00 0.00 2.77 0.00 0.00 0.00 0.00 0.77 0.21 7.81 19 W 7.71 4.45 0.00 3.59 3.30 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 20 R 8.78 4.01 0.00 1.92 1.96 0.00 3.13 0.00 0.00 3.12 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.68 0.00 21 L 8.14 3.93 0.00 1.86 1.70 1.03 0.44 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 22 L 7.95 3.95 0.00 1.98 2.03 1.00 1.24 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 23 A 8.17 4.06 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 M 8.22 3.98 0.00 1.93 2.20 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.89 0.00 25 M 8.35 4.02 0.00 2.26 2.18 0.00 0.00 0.00 0.00 0.00 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.67 2.41 0.00 26 T 8.07 4.02 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 1.26 0.00 0.00 27 L 8.04 4.04 0.00 1.88 1.74 0.94 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 28 F 8.49 4.10 0.00 2.91 2.78 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 29 F 8.75 4.30 0.00 3.39 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 30 G 8.45 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 0.00 0.00 0.00 31 S 8.60 4.28 0.00 3.99 4.17 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 0.00 0.00 0.00 0.00 32 G 7.54 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.25 4.44 0.00 3.08 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 34 A 8.55 4.50 1.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.00 4.04 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 36 P 0.00 4.10 0.00 1.62 1.84 0.00 3.67 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 2.05 0.00 37 F 7.87 3.91 0.00 3.27 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 38 F 8.46 4.07 0.00 3.25 3.17 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 0.00 0.00 0.00 0.00 39 I 7.94 3.82 1.97 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 1.42 0.81 0.92 0.00 0.00 40 V 7.96 3.52 2.16 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 0.95 0.00 0.00 0.82 0.00 0.00 41 R 8.03 3.82 0.00 1.82 2.00 0.00 2.99 0.00 0.00 2.98 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.59 0.00 42 H 8.15 4.17 0.00 3.24 3.59 0.00 6.01 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 Q 8.34 4.05 0.00 2.20 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.59 0.00 0.00 0.00 0.00 0.00 2.49 2.54 0.00 44 L 8.17 4.12 0.00 1.82 1.69 0.90 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 45 L 7.73 3.94 0.00 1.63 1.71 0.94 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 46 K 7.54 4.13 0.00 1.70 1.81 0.00 1.46 0.00 0.00 1.63 0.00 0.00 2.95 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.38 1.41 7.81 47 K 7.11 3.94 0.00 1.87 1.68 0.00 1.82 0.00 0.00 1.73 0.00 0.00 3.00 0.00 0.00 2.71 0.00 0.00 0.00 0.00 1.20 1.11 7.81