NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1R S 4.3671 8.3349 115.2961 58.1517 62.3851 171.2966 1Q E 4.0829 8.4476 124.0337 54.6649 29.6567 174.5420 1P Y 4.7484 9.3100 125.9022 55.5857 42.5647 174.1057 1O Q 4.3817 7.4094 124.9711 53.7988 30.3087 175.9153 1N T 4.3303 8.2788 113.4683 61.7506 69.5341 173.7133 1M F 4.4481 10.1776 124.8791 58.1787 41.4980 175.3460 1L F 4.3543 8.5405 118.0134 55.5521 40.7707 174.5931 1K N 4.7678 8.4607 120.8870 51.3988 39.1362 173.7374 1J P 5.1594 0.0000 0.0000 64.9630 31.4021 178.4450 1I R 3.9323 8.4292 119.2432 58.7929 30.0612 177.0806 1H T 4.4463 7.8785 105.5201 62.1110 70.3438 175.0795 1G F 4.2981 8.6704 123.8494 58.4962 40.0202 175.7108 1F G 3.7381 8.3570 107.5403 44.4706 0.0000 172.2243 1E S 4.8907 8.2441 112.5197 57.2324 65.1359 172.9565 1D G 3.8420 9.0959 111.1044 46.2671 0.0000 175.9355 1C E 4.0544 8.9797 120.9891 59.2634 29.7694 178.6196 1B A 4.2368 8.3013 119.9546 54.6465 18.5078 177.3377 1A D 4.8595 7.7107 112.8657 53.8884 41.6681 175.9618 1 C 4.1470 7.6418 113.0468 58.8530 29.9515 174.7437 2 G 3.8808 8.6686 107.9367 45.8193 0.0000 173.5388 3 L 4.5307 7.1845 118.4473 52.5209 42.3768 176.4383 4 R 4.1660 8.8105 124.6528 55.2132 30.4716 176.3126 5 P 4.1869 0.0000 0.0000 65.6483 31.3980 177.1563 6 L 4.1881 7.7672 114.3524 54.7681 42.0216 176.6853 7 F 4.7189 8.0094 115.8318 57.8555 41.9792 176.4760 8 E 4.0487 9.0834 122.0590 60.1416 30.0984 179.7795 9 K 4.2351 8.0775 115.2397 58.1864 32.2650 177.5667 10 K 4.5352 8.1470 117.5299 55.2813 32.9066 175.9427 11 S 3.8072 7.6818 112.4266 59.7338 61.0004 172.2537 12 L 4.9091 7.8528 117.0333 52.9739 44.3410 175.9632 13 E 4.9615 8.5817 120.3075 54.4786 30.9936 175.7905 14 D 4.7118 8.3790 121.5827 52.0490 40.7004 177.5762 14A K 4.1961 8.6017 118.8154 59.0372 32.2063 178.1285 14B T 4.4781 7.4530 104.4570 60.7919 69.8436 175.1551 14C E 3.8083 8.9115 124.8637 60.0789 29.4673 179.0870 14D R 3.9637 7.9910 117.0113 59.0612 29.8288 178.4601 14E E 3.8983 7.7808 118.6166 58.9322 29.9327 178.6744 14F L 3.9250 7.8155 119.1727 57.6784 41.7479 179.3462 14G L 4.0530 7.7353 118.3684 57.9391 41.5959 179.2604 14H E 4.0219 8.5155 119.0230 59.1698 29.1513 178.8785 14I S 4.3474 7.3499 111.5374 59.7692 63.3534 174.8746 14J Y 4.6276 7.4776 119.6367 57.5061 38.2031 175.3239 14K I 3.6409 7.1075 121.2832 61.3515 38.3961 174.9545 14L D 4.7950 8.5134 127.8875 52.1365 40.9972 176.2282 14M G 3.7495 8.4290 113.1523 45.5332 0.0000 172.2445 15 R 4.2027 8.4064 119.5511 56.0654 30.3387 176.4497 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 1R S 8.33 4.37 0.00 3.88 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1Q E 8.45 4.08 0.00 2.11 1.92 0.00 0.00 0.00 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 2.32 0.00 1P Y 9.31 4.75 0.00 2.88 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 1O Q 7.41 4.38 0.00 1.76 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.77 0.00 0.00 0.00 0.00 0.00 2.14 2.15 0.00 1N T 8.28 4.33 4.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 1M F 10.18 4.45 0.00 2.62 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 1L F 8.54 4.35 0.00 2.53 2.73 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 1K N 8.46 4.77 0.00 2.70 2.76 0.00 0.00 6.59 7.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1J P 0.00 5.16 0.00 2.33 2.45 0.00 3.99 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.02 0.00 1I R 8.43 3.93 0.00 1.84 2.14 0.00 3.25 0.00 0.00 3.29 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.59 0.00 1H T 7.88 4.45 4.32 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 1.26 0.00 0.00 1G F 8.67 4.30 0.00 2.98 3.27 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 1F G 8.36 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 1E S 8.24 4.89 0.00 4.01 3.88 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 1D G 9.10 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 1C E 8.98 4.05 0.00 2.50 2.27 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 2.86 2.65 0.00 1B A 8.30 4.24 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1A D 7.71 4.86 0.00 2.63 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 1 C 7.64 4.15 0.00 3.08 3.02 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 2 G 8.67 3.88 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 0.00 0.00 0.00 3 L 7.18 4.53 0.00 1.67 1.64 0.99 0.88 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 4 R 8.81 4.17 0.00 2.29 2.10 0.00 3.23 0.00 0.00 3.14 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.65 0.00 5 P 0.00 4.19 0.00 2.03 2.12 0.00 3.70 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.13 0.00 6 L 7.77 4.19 0.00 1.44 0.91 0.83 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 7 F 8.01 4.72 0.00 3.04 2.95 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 8 E 9.08 4.05 0.00 2.13 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 0.00 2.45 2.47 0.00 9 K 8.08 4.24 0.00 1.85 1.87 0.00 1.71 0.00 0.00 1.72 0.00 0.00 3.02 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.46 1.41 7.81 10 K 8.15 4.54 0.00 1.56 1.70 0.00 1.77 0.00 0.00 1.62 0.00 0.00 2.86 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.31 1.41 7.81 11 S 7.68 3.81 0.00 4.01 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 12 L 7.85 4.91 0.00 1.59 1.62 0.80 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 13 E 8.58 4.96 0.00 1.97 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 2.43 2.30 0.00 14 D 8.38 4.71 0.00 2.61 1.79 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 14A K 8.60 4.20 0.00 1.75 1.92 0.00 1.70 0.00 0.00 1.76 0.00 0.00 3.06 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.47 1.47 7.81 14B T 7.45 4.48 4.19 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 1.18 0.00 0.00 14C E 8.91 3.81 0.00 2.32 1.96 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 2.29 2.31 0.00 14D R 7.99 3.96 0.00 1.88 1.96 0.00 3.29 0.00 0.00 3.27 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.69 0.00 14E E 7.78 3.90 0.00 1.94 2.11 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 2.26 2.31 0.00 14F L 7.82 3.92 0.00 1.83 1.53 0.87 0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 14G L 7.74 4.05 0.00 1.89 1.79 1.07 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 14H E 8.52 4.02 0.00 2.06 1.98 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 2.50 2.45 0.00 14I S 7.35 4.35 0.00 3.91 3.94 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 14J Y 7.48 4.63 0.00 3.14 2.95 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 14K I 7.11 3.64 2.00 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 1.32 0.77 0.95 0.00 0.00 14L D 8.51 4.80 0.00 2.70 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 14M G 8.43 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 15 R 8.41 4.20 0.00 1.81 1.84 0.00 3.25 0.00 0.00 3.27 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.76 0.00