NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 R 4.1364 8.2549 117.2613 54.8346 30.9511 175.1527 2 P 4.0277 0.0000 0.0000 62.4750 32.0131 175.8568 3 D 4.3506 8.4281 121.0754 57.3712 41.7181 178.7193 4 F 4.3164 8.0503 114.5051 59.7928 37.5262 177.5684 5 C 4.7178 7.3376 115.5795 58.8348 40.0081 174.6762 6 L 4.2243 7.9774 119.6963 54.6683 42.0534 176.8886 7 E 4.2127 7.5455 118.9234 55.4404 30.0521 174.9433 8 P 4.5761 0.0000 0.0000 60.9574 32.6644 174.3020 9 P 3.5934 0.0000 0.0000 62.7531 31.3480 175.2339 10 Y 4.6504 7.8457 120.6813 56.0780 40.7918 175.3528 11 T 4.1793 8.3507 125.2431 64.8109 68.9033 176.2534 12 G 3.7428 6.7363 104.7155 44.1107 0.0000 171.4686 13 P 4.2767 0.0000 0.0000 64.9007 31.8527 177.6531 14 C 4.4940 7.8261 116.9946 56.6951 40.7253 173.7800 15 K 4.1652 8.2068 118.3707 56.8965 33.0333 176.5139 16 A 4.1944 7.8325 122.7390 52.0977 20.0047 177.0103 17 R 4.9940 8.2403 117.4752 54.0024 30.6235 174.3543 18 I 4.5127 8.4177 123.0071 59.1956 40.4362 174.6871 19 I 4.4093 8.1417 126.1699 61.0465 38.2832 175.2249 20 R 4.6269 8.2655 123.6245 54.9994 35.2518 173.3155 21 Y 5.6550 9.2232 117.7430 56.6379 41.1453 175.2444 22 F 5.7263 9.2362 116.0371 55.6077 42.1633 172.6380 23 Y 4.4900 9.8833 122.6911 57.0383 40.1760 174.0910 24 N 4.7057 8.4808 126.2498 51.4501 38.3809 174.7356 25 A 3.7532 8.4447 128.3862 55.0170 18.7283 178.8909 26 K 3.9531 8.2277 113.1470 59.4067 32.1142 177.9924 27 A 4.1635 8.0360 119.2020 51.7095 19.3587 176.9420 28 G 4.0052 7.7678 103.9709 45.3301 0.0000 172.9363 29 L 4.6045 6.6991 117.9823 53.8814 46.0961 174.6577 30 C 5.1188 8.6409 120.0169 56.0407 43.2608 172.8564 31 Q 4.7865 8.4633 120.7294 54.5229 33.4856 174.2287 32 T 5.0160 8.4576 110.7047 61.4246 70.8331 173.7535 33 F 4.9030 8.5551 115.1286 56.1265 41.6779 173.1174 34 V 4.3162 8.4716 120.6847 62.1972 32.2441 174.2972 35 Y 4.7037 8.9709 130.5774 56.2311 40.1657 176.5300 36 G 3.9006 8.2990 113.5584 46.3776 0.0000 175.0038 37 G 3.8503 6.4701 106.6195 45.3014 0.0000 172.0674 38 C 4.8134 7.2529 111.8512 55.1517 44.1233 172.9691 39 R 3.8311 8.7665 115.8413 57.1472 27.1187 176.9666 40 A 4.3716 8.3634 118.7061 52.4090 19.1010 177.8018 41 K 4.4970 8.1506 119.5034 54.3288 34.7032 177.0444 42 R 3.5135 8.2003 118.2174 59.3118 30.1983 177.6410 43 N 4.8296 7.5510 116.8133 51.5432 36.6701 174.1684 44 N 5.0565 7.0113 117.1907 52.8602 41.6587 173.3727 45 F 4.9773 9.5886 126.3320 55.5441 41.5118 177.1517 46 K 4.0561 9.1805 124.3490 58.2293 32.7577 177.2237 47 S 4.7839 8.0066 112.5761 55.9358 65.4575 174.3281 48 A 3.2653 7.9149 130.3443 54.7694 18.1639 179.2713 49 E 3.7458 7.8935 117.3594 59.6749 29.6746 178.7374 50 D 4.2822 7.9587 118.7841 57.2371 40.7374 177.7786 51 C 2.5169 7.6424 119.1995 59.4949 44.8585 175.7206 52 M 3.7220 7.8806 118.3097 58.0724 30.4473 178.3847 53 R 3.8339 7.3789 118.7932 59.3326 30.3635 178.2318 54 T 4.0221 7.7122 114.7474 66.2201 68.6542 175.4427 55 C 4.4365 7.9362 116.2054 57.0780 41.5836 174.2042 56 G 3.5398 7.5568 113.7137 45.5320 0.0000 173.2539 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 R 8.25 4.14 0.00 1.74 1.82 0.00 3.03 0.00 0.00 3.06 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.49 0.00 2 P 0.00 4.03 0.00 0.97 1.67 0.00 3.30 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 2.03 0.00 3 D 8.43 4.35 0.00 2.77 2.74 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.05 4.32 0.00 3.22 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 5 C 7.34 4.72 0.00 2.94 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 6 L 7.98 4.22 0.00 1.80 1.76 1.02 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 7 E 7.55 4.21 0.00 2.09 1.90 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 2.38 2.46 0.00 8 P 0.00 4.58 0.00 2.08 2.00 0.00 3.77 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.93 0.00 9 P 0.00 3.59 0.00 0.77 0.49 0.00 3.25 0.00 0.00 2.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.44 0.00 10 Y 7.85 4.65 0.00 2.78 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 11 T 8.35 4.18 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 1.20 0.00 0.00 12 G 6.74 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.28 0.00 2.17 2.20 0.00 3.80 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.03 0.00 14 C 7.83 4.49 0.00 2.79 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 15 K 8.21 4.17 0.00 1.78 1.85 0.00 1.39 0.00 0.00 1.66 0.00 0.00 3.01 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.30 1.42 7.81 16 A 7.83 4.19 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 17 R 8.24 4.99 0.00 1.60 1.78 0.00 3.14 0.00 0.00 3.18 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.57 0.00 18 I 8.42 4.51 1.87 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.81 0.92 0.00 0.00 19 I 8.14 4.41 1.77 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.41 0.60 0.00 0.00 20 R 8.27 4.63 0.00 0.75 1.77 0.00 3.38 0.00 0.00 3.16 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 1.47 0.00 21 Y 9.22 5.66 0.00 3.25 3.06 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 22 F 9.24 5.73 0.00 3.11 2.94 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 23 Y 9.88 4.49 0.00 3.14 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 24 N 8.48 4.71 0.00 2.28 2.46 0.00 0.00 6.66 7.84 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 25 A 8.44 3.75 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 26 K 8.23 3.95 0.00 1.93 1.88 0.00 1.75 0.00 0.00 1.72 0.00 0.00 3.01 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.44 1.45 7.81 27 A 8.04 4.16 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 28 G 7.77 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 6.70 4.60 0.00 1.52 1.31 0.90 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 30 C 8.64 5.12 0.00 2.91 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 31 Q 8.46 4.79 0.00 1.55 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.76 0.00 0.00 0.00 0.00 0.00 2.17 1.98 0.00 32 T 8.46 5.02 4.11 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 1.00 0.00 0.00 33 F 8.56 4.90 0.00 3.03 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 34 V 8.47 4.32 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 0.70 0.00 0.00 0.90 0.00 0.00 35 Y 8.97 4.70 0.00 2.50 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 36 G 8.30 3.90 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 0.00 0.00 0.00 37 G 6.47 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 0.00 0.00 0.00 38 C 7.25 4.81 0.00 3.06 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 39 R 8.77 3.83 0.00 2.13 2.38 0.00 3.32 0.00 0.00 3.28 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.75 0.00 40 A 8.36 4.37 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 41 K 8.15 4.50 0.00 1.72 1.81 0.00 1.53 0.00 0.00 1.48 0.00 0.00 2.13 0.00 0.00 2.55 0.00 0.00 0.00 0.00 1.11 1.14 7.81 42 R 8.20 3.51 0.00 1.42 0.66 0.00 2.83 0.00 0.00 2.91 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.34 0.00 43 N 7.55 4.83 0.00 3.24 2.84 0.00 0.00 6.95 7.67 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 44 N 7.01 5.06 0.00 2.73 2.59 0.00 0.00 7.11 7.02 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 45 F 9.59 4.98 0.00 3.15 3.11 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 46 K 9.18 4.06 0.00 1.78 1.93 0.00 1.77 0.00 0.00 1.69 0.00 0.00 2.98 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.52 1.51 7.81 47 S 8.01 4.78 0.00 3.91 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 48 A 7.91 3.27 0.56 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 0.00 0.00 49 E 7.89 3.75 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 2.32 2.34 0.00 50 D 7.96 4.28 0.00 2.94 2.77 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 51 C 7.64 2.52 0.00 2.81 3.04 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 52 M 7.88 3.72 0.00 2.23 2.22 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.57 0.00 53 R 7.38 3.83 0.00 1.85 1.89 0.00 3.23 0.00 0.00 3.19 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.60 0.00 54 T 7.71 4.02 4.11 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 1.51 0.00 0.00 55 C 7.94 4.44 0.00 2.60 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 0.00 0.00 0.00 0.00 56 G 7.56 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00