NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -1 K 4.3494 8.1733 122.1402 55.1875 34.7727 177.2481 0 L 3.3182 8.0392 120.9038 55.5865 40.8699 178.3451 1 C 4.4194 9.9800 129.7504 60.4261 40.7853 174.8027 2 S 4.0584 7.9682 114.4213 59.1820 63.0031 174.0597 3 L 4.2701 7.9073 123.5140 53.8555 41.3016 175.4805 4 D 4.4960 9.1017 129.2959 55.6885 39.8068 173.1798 5 N 4.2854 8.4182 109.4968 53.1542 37.7404 174.3073 6 G 3.8381 8.7322 101.0318 45.6945 0.0000 174.8378 7 D 4.5636 8.2972 116.1477 54.2358 40.5668 173.5145 8 C 4.5915 7.9748 114.9054 57.0463 40.9454 173.7340 9 D 4.4971 8.5318 123.5497 56.9840 42.0289 177.2624 10 Q 4.4942 7.3812 112.4913 55.6343 30.7832 179.4435 11 F 4.6777 7.0073 128.6518 58.6432 40.0059 172.3843 12 C 5.5478 8.9446 122.7942 55.0672 44.5059 172.3706 13 H 5.0668 9.3133 125.0385 54.4503 33.3204 171.4550 14 E 5.0437 8.5165 123.7969 54.8958 31.1325 175.3667 15 E 4.5944 9.3224 123.6819 56.0133 33.3923 175.9178 16 Q 3.3495 9.5978 122.0504 58.0202 26.3995 173.1565 17 N 4.2415 8.1328 105.7203 53.8596 37.0550 174.8920 18 S 4.5970 8.2203 110.4930 56.2623 65.8800 172.8224 19 V 4.1737 8.3726 127.3603 63.0394 32.2531 175.1288 20 V 4.4488 9.3345 127.4634 61.4529 34.1499 173.7066 21 C 5.4578 8.8947 125.1892 56.1226 37.2464 172.6378 22 S 4.6996 8.6851 114.9939 57.9247 66.6501 171.8272 23 C 4.8248 8.4972 115.5805 54.5426 38.6666 174.2983 24 A 4.4306 8.8468 124.0915 51.7445 18.6876 177.3348 25 R 4.0722 8.4311 120.1428 58.0978 30.7041 176.8893 26 G 3.9716 9.4508 112.6571 45.1338 0.0000 171.8225 27 Y 5.2640 7.5893 115.8630 56.0508 41.5651 175.0773 28 T 4.7567 8.9290 111.5990 59.4949 72.1507 173.0469 29 L 4.5512 8.5519 126.0374 55.1209 42.9502 176.4978 30 A 4.3316 9.0636 128.4608 51.3774 19.4550 178.0137 31 D 4.4291 8.8634 118.9582 57.5283 40.8554 178.0580 32 N 4.4404 8.1610 113.7957 52.9221 37.7528 175.6992 33 G 3.9716 8.4789 107.4116 46.2110 0.0000 173.8822 34 K 4.4803 8.5369 118.3748 57.5631 35.1871 176.7298 35 A 4.7062 8.1999 120.5760 51.7090 20.3342 176.6746 36 C 5.3012 8.7827 117.3634 55.2808 39.5776 173.6131 37 I 4.6653 8.6864 125.2904 58.6505 39.2285 173.5963 38 P 4.2294 0.0000 0.0000 62.8906 31.1587 176.8105 39 T 4.0213 8.4206 114.8555 64.3532 69.6772 174.3687 40 G 4.0003 7.2930 107.9511 43.9673 0.0000 170.2725 41 P 4.0826 0.0000 0.0000 63.5040 32.3674 175.7624 42 Y 3.5754 7.6528 116.6455 58.5979 35.1870 169.1514 43 P 4.3738 0.0000 0.0000 62.0630 32.7837 176.4297 44 C 4.3144 8.3626 114.7017 59.7962 29.9327 174.2864 45 G 3.9794 8.9585 109.2967 45.5891 0.0000 173.0791 46 K 4.6115 7.2895 118.7131 54.0834 33.9015 176.5098 47 Q 4.1877 8.6061 122.8497 56.1961 29.3502 176.0585 48 T 4.5221 8.2732 111.3176 60.9672 70.1555 174.5704 49 L 4.7596 8.3671 121.3112 54.7462 44.0421 176.4698 50 E 4.2897 8.0297 122.5061 56.7569 30.4601 174.7233 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 K 8.17 4.35 0.00 1.70 1.76 0.00 1.90 0.00 0.00 1.81 0.00 0.00 2.88 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.34 1.04 7.81 0 L 8.04 3.32 0.00 2.09 0.89 0.92 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 1 C 9.98 4.42 0.00 3.15 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 2 S 7.97 4.06 0.00 3.96 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 3 L 7.91 4.27 0.00 1.72 1.71 0.92 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 4 D 9.10 4.50 0.00 2.91 2.62 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.42 4.29 0.00 2.98 2.79 0.00 0.00 7.58 7.90 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 6 G 8.73 3.84 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 D 8.30 4.56 0.00 2.82 2.82 0.00 0.00 0.00 0.00 0.00 0.00 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 7.97 4.59 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 9 D 8.53 4.50 0.00 2.68 2.57 0.00 0.00 0.00 0.00 0.00 0.00 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 7.38 4.49 0.00 1.50 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.82 6.92 0.00 0.00 0.00 0.00 0.00 1.87 1.98 0.00 11 F 7.01 4.68 0.00 2.95 2.81 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 12 C 8.94 5.55 0.00 3.06 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 13 H 9.31 5.07 0.00 3.21 3.07 0.00 5.62 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 E 8.52 5.04 0.00 1.82 1.84 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 0.00 2.22 2.29 0.00 15 E 9.32 4.59 0.00 1.95 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 2.28 2.37 0.00 16 Q 9.60 3.35 0.00 2.14 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.84 0.00 0.00 0.00 0.00 0.00 2.29 2.37 0.00 17 N 8.13 4.24 0.00 2.83 2.87 0.00 0.00 6.89 7.57 0.00 0.00 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 S 8.22 4.60 0.00 3.77 3.77 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 19 V 8.37 4.17 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 0.81 0.00 0.00 0.94 0.00 0.00 20 V 9.33 4.45 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 1.02 0.00 0.00 1.02 0.00 0.00 21 C 8.89 5.46 0.00 3.02 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 22 S 8.69 4.70 0.00 4.00 4.02 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 23 C 8.50 4.82 0.00 2.81 2.79 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.85 4.43 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.43 4.07 0.00 1.86 1.94 0.00 3.24 0.00 0.00 3.27 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.68 0.00 26 G 9.45 3.97 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 0.00 0.00 0.00 27 Y 7.59 5.26 0.00 2.85 2.80 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.93 4.76 4.26 0.00 0.00 0.00 0.00 0.00 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 29 L 8.55 4.55 0.00 1.67 1.63 1.02 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 30 A 9.06 4.33 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.86 4.43 0.00 2.68 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 32 N 8.16 4.44 0.00 2.81 2.93 0.00 0.00 6.03 7.00 0.00 0.00 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 G 8.48 3.97 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 0.00 0.00 0.00 34 K 8.54 4.48 0.00 1.68 1.93 0.00 1.66 0.00 0.00 1.86 0.00 0.00 2.87 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.33 1.53 7.81 35 A 8.20 4.71 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 C 8.78 5.30 0.00 2.63 2.81 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 37 I 8.69 4.67 1.90 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.67 0.91 0.00 0.00 38 P 0.00 4.23 0.00 1.76 1.61 0.00 3.67 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.04 0.00 39 T 8.42 4.02 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 1.19 0.00 0.00 40 G 7.29 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.08 0.00 2.14 1.88 0.00 3.82 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.07 0.00 42 Y 7.65 3.58 0.00 3.12 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 43 P 0.00 4.37 0.00 1.86 1.74 0.00 3.58 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.79 0.00 44 C 8.36 4.31 0.00 3.19 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 45 G 8.96 3.98 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 0.00 0.00 0.00 46 K 7.29 4.61 0.00 1.91 1.77 0.00 1.78 0.00 0.00 1.76 0.00 0.00 2.97 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.52 1.59 7.81 47 Q 8.61 4.19 0.00 2.06 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.88 0.00 0.00 0.00 0.00 0.00 2.39 2.38 0.00 48 T 8.27 4.52 4.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 49 L 8.37 4.76 0.00 1.61 1.71 0.92 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 50 E 8.03 4.29 0.00 1.91 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 2.23 2.31 0.00