NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 L 4.5046 8.0433 122.7562 55.2408 44.0870 175.0079 2 T 4.9415 8.7903 122.7218 61.6200 71.1192 171.4516 3 C 5.2838 9.1953 122.9510 54.8293 43.8225 173.0869 4 V 4.4034 8.7980 121.8157 63.1592 31.7439 176.4985 5 T 4.7565 9.1840 117.0381 61.2831 70.9003 174.2052 6 S 4.7452 7.7389 115.0465 57.2681 66.3959 173.1847 7 K 5.1074 8.3977 121.6605 55.8277 35.2958 175.5773 8 S 4.5562 8.8505 120.2151 57.9947 65.4700 174.8346 9 I 3.6756 8.4473 112.2899 64.4774 37.2898 177.2791 10 F 4.2679 8.0856 119.1562 58.8481 39.7400 174.7813 11 G 3.9494 7.0308 108.1471 44.1573 0.0000 172.4604 12 I 5.0331 8.1858 116.7432 59.4213 40.9223 175.4395 13 T 4.7484 8.6829 120.6244 62.1380 70.6253 173.7858 14 T 5.0840 8.4959 115.3289 59.8493 72.2314 172.8235 15 E 4.6152 9.0153 122.9049 54.2719 33.2630 173.9258 16 N 4.8490 8.8770 125.7182 53.3975 39.3028 175.2008 17 C 4.6189 9.2050 125.3940 56.2499 37.8813 172.4723 18 P 4.4812 0.0000 0.0000 61.9653 31.8260 175.0789 19 D 4.4652 8.4090 118.4225 56.1136 41.2523 176.6957 20 G 3.9477 9.0093 114.3521 45.4723 0.0000 173.6114 21 Q 4.4672 7.5824 118.6356 54.8652 27.4616 174.6418 22 N 5.0238 8.4417 119.3693 52.5542 39.5866 174.6170 23 L 5.1115 7.9896 117.6487 53.2699 45.8928 175.0824 24 C 5.4469 9.3152 119.6135 55.6505 37.0470 172.7862 25 F 5.6511 8.9008 116.2596 55.0959 41.5922 173.7115 26 K 4.5509 9.2474 118.7237 54.5082 35.9089 175.3816 27 R 5.1236 8.2782 124.4211 54.3685 33.8302 173.6111 28 W 5.2456 9.8954 126.6870 55.3023 31.4505 174.6088 29 Q 5.1576 9.5024 127.7800 54.3787 30.4619 174.3001 30 Y 3.5172 9.3485 128.8618 57.6003 39.5071 175.4566 31 I 4.0564 7.4694 127.6172 62.4572 39.0087 175.5178 32 S 4.1960 6.3678 111.7578 56.2396 65.4190 172.9760 33 P 4.4044 0.0000 0.0000 64.3542 30.9560 177.7447 34 R 4.6096 7.2929 113.6566 55.8006 30.7002 175.3481 35 M 4.8690 7.8308 118.4000 54.0087 36.3586 173.6045 36 Y 5.0363 8.8175 120.4273 56.1696 41.6260 174.2762 37 D 5.0879 9.3719 123.2224 52.5416 43.8597 174.4496 38 F 5.3571 8.8854 127.5110 56.6346 41.4976 174.4088 39 T 4.6492 7.7387 115.1527 59.9941 72.5060 172.7724 40 R 3.7352 7.4089 117.3048 54.2937 32.8890 175.1726 41 G 3.8526 5.7723 106.0269 46.5361 0.0000 171.1528 42 C 5.1976 8.6444 118.9124 56.0620 42.3196 172.6513 43 A 4.7570 8.8810 123.8731 51.0335 22.0713 177.4254 44 A 4.3117 8.5713 123.0845 54.2111 19.2165 177.8906 45 T 4.6338 7.4477 102.8465 60.1971 71.9792 174.2915 46 C 4.6584 8.3644 122.2865 54.0350 43.0088 171.3781 47 P 4.5115 0.0000 0.0000 61.6404 31.7078 176.8354 48 K 4.0691 8.4699 121.0610 56.0093 32.3829 177.1506 49 A 4.1542 8.5139 127.4931 52.0528 19.2197 176.9917 50 E 4.2463 8.6274 121.3609 55.6068 30.4324 175.7396 51 Y 4.4712 8.4096 120.8989 60.0192 38.9246 176.4037 52 R 3.9122 8.5959 125.0444 55.9295 28.4695 176.1346 53 D 5.2311 7.6311 116.2092 53.9725 42.2493 176.2286 54 V 4.6261 9.0153 119.5580 61.4020 35.0027 174.2150 55 I 5.3285 8.6959 127.3888 59.7026 40.3280 174.3756 56 N 5.2616 9.7051 124.3022 51.6989 41.7189 172.9732 57 C 5.8269 8.9667 119.8823 55.5728 41.1727 171.8249 58 C 4.9313 9.2521 115.0661 54.1662 45.3816 174.2913 59 G 4.2355 8.6510 105.8433 45.1455 0.0000 172.5580 60 T 4.6720 7.5520 108.8847 58.7113 71.6339 172.9093 61 D 4.7192 8.7563 121.7367 56.4265 41.1475 176.8095 62 K 3.9158 9.4256 122.9762 57.3208 30.3659 175.1271 63 C 4.4065 8.2416 115.4554 57.8047 41.7084 173.8347 64 N 4.8312 7.9528 116.8180 52.2926 37.2264 174.9684 65 K 4.1477 7.7089 123.8387 57.6893 32.7066 176.5907 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 L 8.04 4.50 0.00 1.80 1.62 1.06 0.46 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 2 T 8.79 4.94 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 3 C 9.20 5.28 0.00 2.76 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 4 V 8.80 4.40 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 1.01 0.00 0.00 0.91 0.00 0.00 5 T 9.18 4.76 4.18 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 1.19 0.00 0.00 6 S 7.74 4.75 0.00 3.88 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 7 K 8.40 5.11 0.00 1.75 1.68 0.00 1.86 0.00 0.00 1.76 0.00 0.00 2.75 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.33 1.45 7.81 8 S 8.85 4.56 0.00 4.05 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 9 I 8.45 3.68 1.64 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.29 0.81 0.00 0.00 10 F 8.09 4.27 0.00 3.10 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 11 G 7.03 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.19 5.03 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.79 0.92 0.00 0.00 13 T 8.68 4.75 4.23 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 0.00 0.00 0.00 1.19 0.00 0.00 14 T 8.50 5.08 4.23 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 0.00 0.00 0.00 1.20 0.00 0.00 15 E 9.02 4.62 0.00 1.97 1.75 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 2.19 2.22 0.00 16 N 8.88 4.85 0.00 2.77 2.74 0.00 0.00 7.16 7.65 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 17 C 9.21 4.62 0.00 2.94 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 18 P 0.00 4.48 0.00 2.22 2.19 0.00 3.81 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 2.17 1.96 0.00 19 D 8.41 4.47 0.00 2.64 2.64 0.00 0.00 0.00 0.00 0.00 0.00 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 G 9.01 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 7.58 4.47 0.00 2.25 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 7.29 0.00 0.00 0.00 0.00 0.00 2.41 2.32 0.00 22 N 8.44 5.02 0.00 2.69 2.80 0.00 0.00 6.96 7.85 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 23 L 7.99 5.11 0.00 1.77 1.57 0.95 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 24 C 9.32 5.45 0.00 2.82 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 25 F 8.90 5.65 0.00 2.96 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 26 K 9.25 4.55 0.00 1.70 1.20 0.00 1.84 0.00 0.00 1.74 0.00 0.00 3.03 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.27 1.34 7.81 27 R 8.28 5.12 0.00 1.87 1.72 0.00 2.98 0.00 0.00 3.12 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.80 0.00 28 W 9.90 5.25 0.00 3.38 3.10 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 0.00 0.00 0.00 29 Q 9.50 5.16 0.00 2.17 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 7.00 0.00 0.00 0.00 0.00 0.00 2.33 2.35 0.00 30 Y 9.35 3.52 0.00 2.92 2.64 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.47 4.06 1.78 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.97 0.81 0.00 0.00 32 S 6.37 4.20 0.00 3.81 3.76 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.40 0.00 2.07 2.25 0.00 3.63 0.00 0.00 4.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.21 0.00 34 R 7.29 4.61 0.00 1.86 1.90 0.00 3.13 0.00 0.00 3.23 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.55 0.00 35 M 7.83 4.87 0.00 1.85 1.71 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.43 2.47 0.00 36 Y 8.82 5.04 0.00 2.96 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 37 D 9.37 5.09 0.00 2.80 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 38 F 8.89 5.36 0.00 2.92 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 39 T 7.74 4.65 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 40 R 7.41 3.74 0.00 1.47 1.46 0.00 3.07 0.00 0.00 3.29 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.52 0.00 41 G 5.77 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 42 C 8.64 5.20 0.00 3.11 3.12 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 0.00 43 A 8.88 4.76 1.28 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 0.00 0.00 0.00 0.00 0.00 0.00 44 A 8.57 4.31 1.32 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 0.00 0.00 45 T 7.45 4.63 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 1.21 0.00 0.00 46 C 8.36 4.66 0.00 2.96 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 47 P 0.00 4.51 0.00 2.05 1.94 0.00 3.67 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 2.04 0.00 48 K 8.47 4.07 0.00 1.76 1.79 0.00 1.79 0.00 0.00 1.73 0.00 0.00 2.99 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.46 1.39 7.81 49 A 8.51 4.15 1.32 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 0.00 0.00 50 E 8.63 4.25 0.00 2.09 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 2.43 2.32 0.00 51 Y 8.41 4.47 0.00 2.78 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 52 R 8.60 3.91 0.00 1.35 1.46 0.00 2.21 0.00 0.00 2.35 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.50 0.00 53 D 7.63 5.23 0.00 2.86 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 54 V 9.02 4.63 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.00 0.00 0.83 0.00 0.00 55 I 8.70 5.33 1.95 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.91 0.96 0.00 0.00 56 N 9.71 5.26 0.00 2.93 2.85 0.00 0.00 6.38 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 C 8.97 5.83 0.00 2.87 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 58 C 9.25 4.93 0.00 2.97 3.18 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 59 G 8.65 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 0.00 0.00 0.00 0.00 60 T 7.55 4.67 4.25 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 61 D 8.76 4.72 0.00 2.69 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 62 K 9.43 3.92 0.00 1.89 1.85 0.00 1.66 0.00 0.00 1.69 0.00 0.00 2.97 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.35 1.34 7.81 63 C 8.24 4.41 0.00 3.11 3.29 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 64 N 7.95 4.83 0.00 2.76 2.88 0.00 0.00 6.07 7.13 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 65 K 7.71 4.15 0.00 1.86 1.92 0.00 1.64 0.00 0.00 1.74 0.00 0.00 3.06 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.54 1.39 7.81