NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.3873 8.2493 123.5822 52.0609 19.8949 176.0462 2 V 4.3552 8.0739 121.3569 57.6505 34.3837 172.7405 3 Q 3.9923 9.3352 120.7268 57.1416 29.6522 178.2241 4 Q 4.3766 8.6187 117.8729 56.7839 30.1156 175.8916 5 N 5.0552 7.6641 112.8407 50.4642 41.8984 174.0312 6 K 3.9444 8.5909 122.6113 56.0800 32.7363 174.9721 7 P 4.4612 0.0000 0.0000 62.3031 32.2506 176.9864 8 T 4.1713 8.2281 112.3935 61.3945 70.8356 175.9126 9 R 3.9532 8.5381 119.4155 59.4289 29.3089 179.0827 10 S 4.0667 7.9770 113.5272 61.2304 62.4584 175.7615 11 K 3.9169 8.2876 122.7503 59.9633 31.7786 177.7311 12 R 3.9129 8.2430 118.5135 59.2474 29.5481 178.3556 13 G 3.9878 7.9202 106.8045 48.3329 0.0000 174.8943 14 M 4.1863 8.0356 121.3640 58.0227 31.7898 178.6615 15 R 3.8970 7.9783 117.6953 59.6496 30.4910 178.0771 16 R 4.8309 8.0885 116.9714 56.6576 29.8278 178.1411 17 S 4.0620 7.9292 114.2016 60.9694 62.5502 174.2825 18 H 4.8401 7.7087 115.9756 55.6770 29.1288 175.3256 19 D 4.6630 8.7000 119.5192 54.9919 40.8207 176.2683 20 A 4.3715 7.2879 121.8908 51.7190 18.9931 177.7356 21 L 4.3656 8.2122 121.1551 54.5491 42.8006 176.3755 22 T 4.4869 8.0552 116.4180 61.5598 70.1748 175.0134 23 A 4.1909 8.3382 128.9834 52.0287 19.3685 177.3839 24 V 3.6435 8.1615 119.6470 65.0894 32.0153 179.1882 25 T 3.5757 7.8053 107.6403 62.3769 68.5432 172.7091 26 S 4.4220 7.6847 116.6168 59.4995 63.4659 174.5326 27 L 4.4865 7.6500 120.4716 55.8303 41.5008 176.0435 28 S 4.7064 8.5702 114.3567 57.1396 67.2466 172.2554 29 V 4.7888 8.1329 118.9436 61.0218 33.3551 174.7021 30 D 4.6415 8.8239 127.0179 53.4430 41.9674 176.4979 31 K 4.1080 8.7124 125.6214 60.3848 33.1063 178.4327 32 T 4.0122 7.9635 116.3839 64.4251 68.7953 174.1346 33 S 4.8437 7.9635 114.5386 55.3257 65.1980 173.2573 34 G 3.2663 7.9766 109.5671 44.2923 0.0000 173.8423 35 E 3.5072 8.1521 119.6871 56.3739 26.7032 175.4262 36 K 5.2423 8.5520 123.1531 55.1339 33.3736 176.2945 37 H 4.7108 7.7995 117.1589 55.3979 29.7103 173.9628 38 L 4.3264 7.7267 121.5403 54.1454 42.1416 176.7136 39 R 3.9614 8.4855 122.8758 58.7550 30.1551 175.6476 40 H 5.1856 9.2234 119.5301 57.1886 25.9725 173.8970 41 H 4.7147 8.4507 116.2242 53.4333 31.3393 173.6422 42 I 3.6698 7.8995 123.3973 61.9059 37.5517 175.8517 43 T 4.3837 9.0261 115.1049 60.3911 70.1556 175.7698 44 A 3.9907 8.5779 124.3400 55.5439 18.3412 178.7409 45 D 4.5177 8.5661 113.6122 55.5780 41.0520 176.8125 46 G 3.8704 8.5926 108.3538 46.2252 0.0000 172.8760 47 Y 4.7861 7.8800 115.3098 56.6447 40.1958 175.6731 48 Y 4.8685 8.6167 122.7597 58.0710 40.3636 174.3541 49 R 3.6013 8.6609 128.5567 56.8314 26.7720 177.3448 50 G 3.9411 8.5474 107.7175 45.8976 0.0000 170.8163 51 R 3.3949 8.6057 121.1370 56.6466 29.9167 176.0889 52 K 3.5100 8.3804 125.8761 55.1273 30.8219 176.4045 53 V 3.7660 7.6052 119.2291 60.0579 31.6623 176.2341 54 I 2.9695 8.3554 116.1422 62.0678 33.9479 174.8011 55 A 4.0441 8.5209 128.0419 54.6374 18.5501 177.4644 56 K 4.1636 7.2930 115.8368 56.6549 32.1975 176.5700 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 A 8.25 4.39 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 2 V 8.07 4.36 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 0.74 0.00 0.00 0.93 0.00 0.00 3 Q 9.34 3.99 0.00 2.17 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.93 0.00 0.00 0.00 0.00 0.00 2.34 2.43 0.00 4 Q 8.62 4.38 0.00 2.06 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.76 0.00 0.00 0.00 0.00 0.00 2.29 2.36 0.00 5 N 7.66 5.06 0.00 2.64 2.67 0.00 0.00 6.83 7.61 0.00 0.00 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 K 8.59 3.94 0.00 1.71 1.73 0.00 1.78 0.00 0.00 1.70 0.00 0.00 2.92 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.42 1.47 7.81 7 P 0.00 4.46 0.00 2.08 1.96 0.00 3.73 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.07 0.00 8 T 8.23 4.17 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 9 R 8.54 3.95 0.00 2.02 2.24 0.00 3.13 0.00 0.00 3.26 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.63 0.00 10 S 7.98 4.07 0.00 3.91 3.89 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.29 3.92 0.00 1.88 1.86 0.00 1.60 0.00 0.00 1.57 0.00 0.00 2.98 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.44 1.49 7.81 12 R 8.24 3.91 0.00 1.94 2.05 0.00 3.19 0.00 0.00 3.17 7.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.67 0.00 13 G 7.92 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 M 8.04 4.19 0.00 2.08 2.25 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.72 2.54 0.00 15 R 7.98 3.90 0.00 1.89 2.21 0.00 3.26 0.00 0.00 3.23 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.70 0.00 16 R 8.09 4.83 0.00 2.03 1.94 0.00 3.20 0.00 0.00 3.19 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.73 0.00 17 S 7.93 4.06 0.00 3.75 4.13 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 0.00 0.00 0.00 0.00 18 H 7.71 4.84 0.00 3.22 3.26 0.00 5.67 0.00 0.00 0.00 0.00 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 D 8.70 4.66 0.00 2.85 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 20 A 7.29 4.37 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 21 L 8.21 4.37 0.00 1.65 1.62 0.92 0.84 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 22 T 8.06 4.49 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 23 A 8.34 4.19 1.23 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 0.00 0.00 0.00 24 V 8.16 3.64 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 0.99 0.00 0.00 0.92 0.00 0.00 25 T 7.81 3.58 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 1.25 0.00 0.00 26 S 7.68 4.42 0.00 3.91 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 27 L 7.65 4.49 0.00 1.77 1.64 0.91 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 28 S 8.57 4.71 0.00 3.83 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 29 V 8.13 4.79 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 0.90 0.00 0.00 0.92 0.00 0.00 30 D 8.82 4.64 0.00 2.70 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 31 K 8.71 4.11 0.00 1.88 1.91 0.00 1.60 0.00 0.00 1.68 0.00 0.00 2.93 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.38 1.44 7.81 32 T 7.96 4.01 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 33 S 7.96 4.84 0.00 3.58 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 34 G 7.98 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 0.00 0.00 0.00 35 E 8.15 3.51 0.00 2.07 2.06 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 2.30 2.24 0.00 36 K 8.55 5.24 0.00 1.76 1.77 0.00 1.91 0.00 0.00 2.40 0.00 0.00 3.06 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.44 1.39 7.81 37 H 7.80 4.71 0.00 3.47 3.49 0.00 5.65 0.00 0.00 0.00 0.00 6.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 L 7.73 4.33 0.00 1.52 1.52 0.72 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 39 R 8.49 3.96 0.00 1.72 1.84 0.00 3.27 0.00 0.00 3.16 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 1.45 0.00 40 H 9.22 5.19 0.00 3.49 3.51 0.00 5.76 0.00 0.00 0.00 0.00 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 H 8.45 4.71 0.00 3.33 3.19 0.00 5.89 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 I 7.90 3.67 1.77 0.00 0.00 0.52 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 0.27 0.90 0.00 0.00 43 T 9.03 4.38 4.33 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 0.00 0.00 0.00 1.32 0.00 0.00 44 A 8.58 3.99 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 45 D 8.57 4.52 0.00 3.05 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 46 G 8.59 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 0.00 0.00 0.00 47 Y 7.88 4.79 0.00 3.11 2.92 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 48 Y 8.62 4.87 0.00 2.95 2.86 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 49 R 8.66 3.60 0.00 1.73 1.82 0.00 2.80 0.00 0.00 2.77 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.50 0.00 50 G 8.55 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 0.00 0.00 0.00 51 R 8.61 3.39 0.00 1.99 1.88 0.00 3.18 0.00 0.00 3.27 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.61 0.00 52 K 8.38 3.51 0.00 1.17 1.56 0.00 1.18 0.00 0.00 0.61 0.00 0.00 3.01 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.11 1.23 7.81 53 V 7.61 3.77 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 0.80 0.00 0.00 1.03 0.00 0.00 54 I 8.36 2.97 1.82 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 1.31 0.98 0.90 0.00 0.00 55 A 8.52 4.04 1.25 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 0.00 0.00 0.00 56 K 7.29 4.16 0.00 1.72 1.71 0.00 1.73 0.00 0.00 1.73 0.00 0.00 3.00 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.42 1.35 7.81