NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 L 4.3936 8.0433 122.7558 55.0465 44.1925 174.6597 2 E 5.0164 8.0800 119.3066 54.4419 32.9935 173.6833 3 C 4.9091 9.5146 120.1639 55.9392 45.9627 172.5295 4 H 5.1651 8.5339 117.2554 54.6070 29.9699 174.9474 5 N 5.0464 8.4022 116.9543 52.5063 37.8379 174.8368 6 Q 4.2404 8.1989 115.8927 56.9725 29.9176 174.8562 7 Q 4.4070 8.3468 118.0639 55.7760 30.9790 179.6190 8 S 3.3299 7.6924 115.1374 60.6583 63.9232 173.8595 9 S 4.6368 7.5461 111.5543 57.5805 64.1260 174.0345 10 Q 4.2108 8.2069 120.6160 54.9129 29.0495 174.1291 11 P 4.4696 0.0000 0.0000 61.5351 32.0459 174.3698 12 P 4.3340 0.0000 0.0000 63.3022 31.8568 175.6209 13 T 4.8356 8.1899 111.1522 60.5179 72.7715 172.0409 14 T 5.1711 8.2596 115.6066 61.0431 71.3993 172.0856 15 K 4.9012 8.7955 121.9883 55.0308 37.2447 175.6725 16 T 4.9569 8.4406 110.9700 60.3960 71.7238 175.2381 17 C 4.9240 8.6512 121.1381 54.5252 40.5374 172.2658 18 P 4.3490 0.0000 0.0000 63.8502 30.0763 177.0856 19 G 4.8739 7.9244 125.5961 46.7723 0.0000 170.8847 20 E 4.6012 7.7642 118.4110 55.1117 31.1782 175.8471 21 T 4.5875 8.3154 107.7730 61.3256 69.9699 172.8745 22 N 5.3357 7.8507 118.6806 52.0409 43.6810 173.4919 23 C 5.6254 8.8111 116.2732 55.4679 39.7651 172.7243 24 Y 5.5170 8.7935 117.6575 55.4369 41.9412 174.1477 25 K 4.8756 9.0479 118.3250 54.5280 36.5334 175.4883 26 K 5.0859 8.8041 123.4062 54.9410 36.2783 175.0509 27 V 5.0866 8.7240 124.2836 61.4360 35.6149 173.5594 28 W 5.5482 8.5730 121.9289 55.5779 31.7375 173.6867 29 R 4.9149 8.6351 119.0108 54.8506 33.0818 174.0773 30 D 4.7084 8.3278 117.3365 53.8324 44.3582 175.4291 31 H 4.3136 8.8956 116.0280 58.8054 28.7286 177.2206 32 R 4.2200 8.0281 116.7665 56.9304 30.9838 176.4872 33 G 3.9121 6.5714 103.8164 46.3239 0.0000 171.3146 34 T 4.7519 8.0549 112.9900 60.6970 71.0164 173.2126 35 I 4.4769 7.2445 123.2090 59.9694 42.1212 174.0732 36 I 5.0742 7.7664 122.7732 59.8972 41.2733 174.5966 37 E 4.8089 8.9359 120.9999 55.3218 33.3042 174.0191 38 R 4.8231 8.0500 118.7421 54.9381 33.9182 175.1339 39 G 3.7550 7.6554 106.0597 46.4295 0.0000 171.1870 40 C 5.2514 9.0810 116.8268 56.6362 42.4431 174.5680 41 G 3.7475 9.9233 107.9320 45.4763 0.0000 173.0794 42 C 4.7753 7.8001 112.7974 55.3009 44.4893 171.4038 43 P 4.3498 0.0000 0.0000 61.5119 32.2730 176.2247 44 T 4.0994 8.0281 109.7527 61.7102 69.2777 173.5226 45 V 4.4576 7.8674 120.9641 59.9560 34.4039 174.6033 46 K 4.6407 7.9019 117.6966 53.8157 36.0047 174.1043 47 P 4.5036 0.0000 0.0000 64.0106 31.5452 176.2263 48 G 4.1100 9.0537 111.0426 44.9422 0.0000 173.1374 49 I 4.7481 7.2348 118.3804 59.4597 40.3604 175.2544 50 K 4.8318 8.6321 121.7501 54.8741 35.8267 175.1930 51 L 5.3086 8.3487 123.1554 54.3451 45.8421 174.4872 52 N 5.1373 8.7882 117.3364 52.5498 43.4195 173.1194 53 C 5.6666 8.7100 117.7556 55.6545 39.0169 171.8800 54 C 5.2870 8.9759 114.3975 54.3978 44.9171 174.4584 55 T 4.2339 8.6566 107.5187 61.5440 70.2163 174.4091 56 T 4.3625 7.6316 111.7316 60.5098 70.3229 173.8675 57 D 4.5410 8.3342 121.8786 53.9694 42.1522 175.8955 58 K 3.8401 8.3256 119.3137 57.6951 30.6072 174.2508 59 C 4.5095 8.1674 113.3826 57.1843 43.5091 174.5455 60 N 4.6284 7.7386 118.1449 51.6122 36.5150 174.2779 61 N 4.4440 7.8016 120.1550 54.6680 39.0760 174.0768 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 4.39 0.00 1.80 1.64 0.92 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 2 E 8.08 5.02 0.00 1.80 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 2.22 2.35 0.00 3 C 9.51 4.91 0.00 2.81 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 4 H 8.53 5.17 0.00 3.03 3.18 0.00 5.64 0.00 0.00 0.00 0.00 6.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 N 8.40 5.05 0.00 2.78 2.80 0.00 0.00 6.96 6.67 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 6 Q 8.20 4.24 0.00 2.17 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.65 6.78 0.00 0.00 0.00 0.00 0.00 2.31 2.36 0.00 7 Q 8.35 4.41 0.00 2.27 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.97 6.23 0.00 0.00 0.00 0.00 0.00 2.38 2.36 0.00 8 S 7.69 3.33 0.00 3.89 4.15 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 0.00 0.00 0.00 0.00 9 S 7.55 4.64 0.00 3.89 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 10 Q 8.21 4.21 0.00 2.03 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.97 0.00 0.00 0.00 0.00 0.00 2.39 2.33 0.00 11 P 0.00 4.47 0.00 2.17 2.05 0.00 3.77 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 1.95 0.00 12 P 0.00 4.33 0.00 2.18 2.08 0.00 3.70 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.94 0.00 13 T 8.19 4.84 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 1.21 0.00 0.00 14 T 8.26 5.17 4.29 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 1.22 0.00 0.00 15 K 8.80 4.90 0.00 1.69 1.62 0.00 1.68 0.00 0.00 1.70 0.00 0.00 2.89 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.35 1.52 7.81 16 T 8.44 4.96 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 17 C 8.65 4.92 0.00 2.98 3.15 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 0.00 0.00 0.00 0.00 18 P 0.00 4.35 0.00 2.18 2.12 0.00 3.90 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 1.99 1.97 0.00 19 G 7.92 4.87 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 0.00 0.00 0.00 20 E 7.76 4.60 0.00 2.02 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 2.28 2.24 0.00 21 T 8.32 4.59 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 22 N 7.85 5.34 0.00 2.72 2.89 0.00 0.00 6.86 7.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 C 8.81 5.63 0.00 2.86 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 24 Y 8.79 5.52 0.00 2.92 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 25 K 9.05 4.88 0.00 1.75 1.72 0.00 1.61 0.00 0.00 1.59 0.00 0.00 2.82 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.33 1.33 7.81 26 K 8.80 5.09 0.00 2.07 1.90 0.00 1.83 0.00 0.00 1.66 0.00 0.00 2.78 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.50 1.60 7.81 27 V 8.72 5.09 2.14 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 0.83 0.00 0.00 0.98 0.00 0.00 28 W 8.57 5.55 0.00 3.35 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 29 R 8.64 4.91 0.00 1.80 1.84 0.00 3.20 0.00 0.00 3.15 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.59 0.00 30 D 8.33 4.71 0.00 2.87 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 31 H 8.90 4.31 0.00 3.18 3.36 0.00 5.75 0.00 0.00 0.00 0.00 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 R 8.03 4.22 0.00 1.80 2.00 0.00 3.39 0.00 0.00 3.42 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.71 0.00 33 G 6.57 3.91 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 0.00 0.00 0.00 34 T 8.05 4.75 4.16 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 1.12 0.00 0.00 35 I 7.24 4.48 0.74 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 -0.02 0.70 0.00 0.00 36 I 7.77 5.07 1.80 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.33 0.89 0.00 0.00 37 E 8.94 4.81 0.00 2.10 2.14 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 2.45 2.35 0.00 38 R 8.05 4.82 0.00 1.58 1.73 0.00 3.25 0.00 0.00 3.19 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.59 0.00 39 G 7.66 3.75 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 0.00 0.00 0.00 40 C 9.08 5.25 0.00 2.93 3.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 G 9.92 3.75 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 0.00 0.00 0.00 42 C 7.80 4.78 0.00 2.91 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 43 P 0.00 4.35 0.00 1.79 1.82 0.00 2.83 0.00 0.00 3.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.77 0.00 44 T 8.03 4.10 4.20 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 1.17 0.00 0.00 45 V 7.87 4.46 2.08 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 0.73 0.00 0.00 0.94 0.00 0.00 46 K 7.90 4.64 0.00 1.75 1.65 0.00 1.62 0.00 0.00 1.83 0.00 0.00 2.92 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.39 1.38 7.81 47 P 0.00 4.50 0.00 2.18 2.07 0.00 3.72 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.96 0.00 48 G 9.05 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 0.00 0.00 0.00 0.00 49 I 7.23 4.75 2.01 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 0.70 0.96 0.00 0.00 50 K 8.63 4.83 0.00 1.72 1.70 0.00 1.67 0.00 0.00 1.60 0.00 0.00 2.82 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.38 1.52 7.81 51 L 8.35 5.31 0.00 1.63 1.51 0.90 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 52 N 8.79 5.14 0.00 2.72 2.67 0.00 0.00 7.17 7.33 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 53 C 8.71 5.67 0.00 2.82 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 54 C 8.98 5.29 0.00 2.99 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 55 T 8.66 4.23 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 56 T 7.63 4.36 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 57 D 8.33 4.54 0.00 2.67 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 58 K 8.33 3.84 0.00 1.84 1.82 0.00 1.86 0.00 0.00 1.79 0.00 0.00 3.05 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.37 1.51 7.81 59 C 8.17 4.51 0.00 3.13 3.20 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 60 N 7.74 4.63 0.00 2.84 2.91 0.00 0.00 5.92 8.01 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 61 N 7.80 4.44 0.00 2.69 2.73 0.00 0.00 7.11 7.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00