NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.5143 8.3049 120.3269 55.2014 32.2850 173.7536 2 S 4.4973 7.8130 116.3109 56.8945 67.0872 171.2411 3 E 4.6729 8.6564 122.7231 53.8912 34.0570 176.2423 4 G 3.9630 8.4160 108.9753 43.6639 0.0000 174.7130 5 A 4.1288 8.3910 121.2541 54.9617 18.1925 179.8246 6 E 3.9073 8.0947 116.7032 59.7350 29.6123 179.1423 7 E 3.9572 8.1852 118.0926 59.2010 29.5509 179.0032 8 L 4.1628 8.3189 120.7389 58.1262 42.2561 178.9628 9 K 3.8976 8.4341 119.5579 59.5688 32.1159 178.5601 10 A 4.0002 8.2029 121.2364 54.9195 18.1812 179.5974 11 K 3.7071 8.2500 118.3430 59.4957 32.3372 178.8396 12 L 3.2407 8.0091 120.9429 57.6971 41.8840 178.7989 13 K 3.8065 8.4044 119.9094 59.2643 32.0710 178.5117 14 K 3.7812 8.1085 120.1049 59.6740 32.0672 178.7293 15 L 3.8082 7.8545 119.2507 57.4839 41.3994 178.9594 16 N 4.0804 8.5692 117.1056 56.7561 38.9023 176.8654 17 A 3.9856 8.0914 122.2282 54.8780 18.2497 179.3920 18 Q 3.7856 8.1216 118.1298 59.3762 29.1983 178.4894 19 A 3.7317 8.1056 122.1378 55.2285 18.2215 179.7752 20 T 3.8509 8.1787 114.4764 66.6070 68.5163 176.7268 21 A 3.9867 8.0962 122.7055 55.2974 18.3741 179.7134 22 L 3.9609 7.6655 117.5530 57.8289 41.7181 179.6967 23 K 4.0549 8.3367 119.6182 59.8252 32.0078 178.8544 24 M 4.1477 8.3649 119.1757 58.4042 31.8606 178.2728 25 D 4.3707 8.3863 118.3321 57.0167 41.3005 178.0170 26 L 3.9824 8.3850 121.5677 58.3272 41.7070 178.3321 27 H 4.1738 8.1593 117.8083 59.3916 29.7494 176.7525 28 D 4.4573 7.9972 119.8076 57.0625 40.8713 177.9634 29 L 3.9973 8.1300 120.2817 57.9981 42.1105 178.5362 30 A 4.1437 8.0889 120.2491 54.8471 18.3424 178.8559 31 E 4.2197 7.4311 116.2445 58.0420 30.0032 176.8588 32 D 4.8356 7.7645 118.1540 53.3334 42.4782 176.0322 33 L 4.2151 7.9760 117.4323 54.8532 42.2177 176.4968 34 P 3.9805 0.0000 0.0000 64.3720 28.9836 176.2835 35 T 4.4924 8.5251 117.8678 65.4480 69.5825 177.7451 36 G 4.2232 8.4773 107.6341 44.3278 0.0000 175.5485 37 W 4.2592 8.6389 121.4964 59.0876 27.8397 176.4734 38 N 3.8414 7.3983 115.9530 54.7804 38.6134 175.3960 39 R 4.3830 7.7487 118.8299 56.1917 30.5216 177.1556 40 I 3.7213 7.2547 119.9099 65.8498 37.1565 178.1030 41 M 4.1701 7.9714 118.3744 57.9778 31.7104 177.9783 42 E 3.9092 7.9260 120.1801 59.4481 29.8804 179.0499 43 V 3.6281 7.7249 117.4567 65.6055 31.7076 177.8638 44 A 4.0041 8.0252 120.8561 55.0597 18.2462 179.1828 45 E 3.8891 8.4330 117.9308 59.4563 29.8083 179.0843 46 K 3.9889 8.4101 118.8459 59.8817 32.1462 179.4967 47 T 4.0098 8.5407 116.2717 66.7271 68.3072 176.0690 48 Y 4.1058 8.1140 121.4353 60.8289 38.8947 177.8632 49 E 3.8643 9.0959 120.3103 59.0985 29.6698 178.5152 50 A 3.9106 8.5860 121.1862 55.5636 18.4778 179.2926 51 Y 3.8490 8.1428 115.3035 60.6565 37.8545 178.5846 52 R 3.8160 8.0545 117.7928 59.2343 29.5299 178.7550 53 Q 3.9789 8.6181 120.7190 58.5160 28.9985 177.7581 54 L 3.8969 8.0380 121.8531 58.2127 42.1244 178.5545 55 D 4.3512 8.2195 117.9648 57.3710 41.1138 177.9001 56 E 4.0562 8.5547 119.6208 59.3808 29.3915 179.2381 57 F 4.1017 8.4714 120.8352 61.2793 39.5008 177.4400 58 R 3.8845 8.1881 118.0336 59.1606 29.7697 179.2498 59 K 3.9901 8.5329 118.9733 59.8974 32.5962 179.5407 60 S 4.0456 7.7502 116.0949 61.5851 62.8353 176.4725 61 T 3.6942 7.9681 115.8072 64.3829 66.9096 176.3189 62 A 3.8475 7.7744 123.1366 55.2904 18.5931 179.6026 63 S 4.1785 7.7168 111.6663 61.1283 62.1287 176.2333 64 L 4.0194 7.3456 122.1067 58.2094 42.0709 178.5222 65 E 4.0977 8.4356 116.4796 57.0246 29.4404 176.6969 66 H 4.0143 7.4656 115.9954 57.2224 28.6962 174.5142 67 H 4.3794 8.5400 119.0484 55.4426 28.1105 173.9610 68 H 4.7317 8.5306 123.8661 55.4526 31.1435 172.3130 69 H 4.9082 7.6984 112.0372 54.9076 31.6079 171.7740 70 H 4.8384 8.3886 116.9523 54.7939 30.8875 175.2360 71 H 4.5154 8.6587 116.3091 56.4166 28.7590 175.4182 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 M 8.30 4.51 0.00 2.02 2.12 0.00 0.00 0.00 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.57 0.00 2 S 7.81 4.50 0.00 3.90 3.71 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 0.00 0.00 0.00 0.00 3 E 8.66 4.67 0.00 1.92 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 2.23 2.30 0.00 4 G 8.42 3.96 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 0.00 0.00 0.00 5 A 8.39 4.13 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 6 E 8.09 3.91 0.00 2.03 2.02 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 2.41 2.41 0.00 7 E 8.19 3.96 0.00 2.18 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.33 0.00 8 L 8.32 4.16 0.00 1.97 1.92 0.92 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 9 K 8.43 3.90 0.00 2.01 1.93 0.00 1.60 0.00 0.00 1.67 0.00 0.00 3.05 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.44 1.50 7.81 10 A 8.20 4.00 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 11 K 8.25 3.71 0.00 1.95 1.86 0.00 1.81 0.00 0.00 1.88 0.00 0.00 3.13 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.01 1.32 7.81 12 L 8.01 3.24 0.00 1.66 1.77 0.93 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 13 K 8.40 3.81 0.00 1.97 1.87 0.00 1.54 0.00 0.00 1.54 0.00 0.00 2.96 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.40 1.44 7.81 14 K 8.11 3.78 0.00 1.93 1.86 0.00 1.52 0.00 0.00 1.60 0.00 0.00 2.98 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.36 1.45 7.81 15 L 7.85 3.81 0.00 1.58 1.49 0.48 0.59 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 16 N 8.57 4.08 0.00 2.74 2.88 0.00 0.00 7.06 8.38 0.00 0.00 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 A 8.09 3.99 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 18 Q 8.12 3.79 0.00 2.17 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 7.03 0.00 0.00 0.00 0.00 0.00 2.27 2.32 0.00 19 A 8.11 3.73 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.18 3.85 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 1.23 0.00 0.00 21 A 8.10 3.99 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.67 3.96 0.00 1.70 1.78 0.94 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 23 K 8.34 4.05 0.00 2.28 2.14 0.00 1.70 0.00 0.00 1.66 0.00 0.00 2.97 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.49 1.69 7.81 24 M 8.36 4.15 0.00 2.14 2.24 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.85 2.57 0.00 25 D 8.39 4.37 0.00 2.90 2.68 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 0.00 0.00 0.00 0.00 26 L 8.39 3.98 0.00 1.93 1.88 0.96 0.90 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 27 H 8.16 4.17 0.00 3.25 3.54 0.00 5.65 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 D 8.00 4.46 0.00 2.78 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 29 L 8.13 4.00 0.00 1.76 1.88 1.02 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 30 A 8.09 4.14 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 7.43 4.22 0.00 2.19 2.00 0.00 0.00 0.00 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 2.44 0.00 32 D 7.76 4.84 0.00 2.93 2.75 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 33 L 7.98 4.22 0.00 1.76 1.61 0.93 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 34 P 0.00 3.98 0.00 1.96 1.93 0.00 3.65 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 1.86 1.87 0.00 35 T 8.53 4.49 4.74 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 1.26 0.00 0.00 36 G 8.48 4.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 W 8.64 4.26 0.00 3.69 3.40 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 38 N 7.40 3.84 0.00 1.81 2.49 0.00 0.00 6.10 7.36 0.00 0.00 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 R 7.75 4.38 0.00 1.82 1.99 0.00 3.15 0.00 0.00 3.16 7.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.68 0.00 40 I 7.25 3.72 1.96 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.62 0.95 0.00 0.00 41 M 7.97 4.17 0.00 2.04 2.08 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 2.68 2.59 0.00 42 E 7.93 3.91 0.00 1.95 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 0.00 2.31 2.31 0.00 43 V 7.72 3.63 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 1.03 0.00 0.00 1.00 0.00 0.00 44 A 8.03 4.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.43 3.89 0.00 2.12 2.19 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 2.38 2.39 0.00 46 K 8.41 3.99 0.00 2.08 1.88 0.00 1.62 0.00 0.00 1.68 0.00 0.00 3.34 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.47 1.55 7.81 47 T 8.54 4.01 4.36 0.00 0.00 0.00 0.00 0.00 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 48 Y 8.11 4.11 0.00 3.17 3.24 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 49 E 9.10 3.86 0.00 2.34 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 2.40 2.54 0.00 50 A 8.59 3.91 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 51 Y 8.14 3.85 0.00 3.08 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 52 R 8.05 3.82 0.00 1.79 1.77 0.00 2.77 0.00 0.00 3.04 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.77 0.00 53 Q 8.62 3.98 0.00 2.11 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.82 0.00 0.00 0.00 0.00 0.00 2.33 2.36 0.00 54 L 8.04 3.90 0.00 1.75 1.73 0.83 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 55 D 8.22 4.35 0.00 2.93 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 56 E 8.55 4.06 0.00 2.22 2.02 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 2.60 2.47 0.00 57 F 8.47 4.10 0.00 3.17 3.24 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 58 R 8.19 3.88 0.00 2.08 1.95 0.00 3.21 0.00 0.00 3.27 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 2.06 0.00 59 K 8.53 3.99 0.00 1.89 2.03 0.00 1.44 0.00 0.00 1.82 0.00 0.00 2.93 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.60 1.44 7.81 60 S 7.75 4.05 0.00 3.79 3.83 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 61 T 7.97 3.69 3.40 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 1.02 0.00 0.00 62 A 7.77 3.85 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 63 S 7.72 4.18 0.00 3.83 3.96 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 64 L 7.35 4.02 0.00 1.79 1.73 0.90 1.23 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 65 E 8.44 4.10 0.00 2.06 2.02 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 2.35 2.46 0.00 66 H 7.47 4.01 0.00 3.32 3.40 0.00 5.77 0.00 0.00 0.00 0.00 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 H 8.54 4.38 0.00 3.07 3.28 0.00 5.76 0.00 0.00 0.00 0.00 6.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 H 8.53 4.73 0.00 3.00 3.18 0.00 5.92 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 H 7.70 4.91 0.00 3.17 3.19 0.00 5.76 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 70 H 8.39 4.84 0.00 3.18 3.31 0.00 5.70 0.00 0.00 0.00 0.00 6.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 H 8.66 4.52 0.00 3.15 3.22 0.00 5.73 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