NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 E 4.1077 8.4401 120.2125 54.9143 31.9873 175.8956 2 A 3.6779 7.3929 132.7926 49.4338 18.1621 170.9125 3 E 3.7667 7.9081 120.2462 56.0861 30.1827 176.0921 4 K 4.1522 8.3421 122.7243 57.2278 33.2837 176.9875 5 C 4.8577 8.2526 116.5426 56.1158 42.2465 172.8890 6 T 4.1768 8.0827 109.1702 64.5759 69.3118 175.2204 7 K 4.1601 7.6112 123.2964 54.1505 32.8922 175.7022 8 P 4.3353 0.0000 0.0000 63.5047 31.2759 173.7468 9 N 3.1400 8.1118 113.3579 53.5395 37.5060 172.2830 10 E 4.1478 7.8929 130.6773 57.3020 30.5925 175.9707 11 Q 4.7092 9.0336 125.4119 53.0253 33.3438 174.0753 12 W 4.5440 8.8007 132.1332 57.9633 31.5351 174.9917 13 T 4.4455 7.0259 120.5715 60.3627 69.9773 174.4790 14 K 4.0596 8.7585 126.7496 57.7302 32.6218 178.0559 15 C 4.8484 7.7748 118.8990 54.9408 44.9061 174.9663 16 G 3.8001 8.0807 125.0399 46.5913 0.0000 169.1029 17 G 3.9945 7.8547 108.7613 44.4828 0.0000 174.5513 18 C 4.6463 8.5035 125.0803 56.5487 36.2651 170.3450 19 E 4.2189 8.2573 118.5494 56.3597 32.7715 173.5563 20 G 4.9681 8.9778 105.2656 44.5012 0.0000 172.1714 21 T 4.6177 8.4957 109.3348 59.8982 71.8907 173.6963 22 C 4.0046 8.5384 117.6853 57.3095 43.1703 173.2152 23 A 4.5481 7.9119 118.1145 52.1236 20.4715 177.2563 24 Q 4.4842 8.2809 115.1050 53.6995 30.9512 174.7307 25 K 3.8915 8.7307 124.8635 58.8557 32.4850 176.0369 26 I 4.8587 7.4931 118.0784 59.3613 40.2576 175.3212 27 V 4.2536 8.2112 127.7244 59.6595 32.5184 174.5809 28 P 4.4389 0.0000 0.0000 63.6184 31.8373 176.8675 29 C 4.6540 8.4009 117.8302 56.5118 43.5008 174.9968 30 T 3.8306 8.5903 115.7176 63.3938 68.7367 175.2957 31 R 4.1906 7.2093 119.9683 56.1641 30.1632 173.5376 32 E 4.4947 7.5397 113.4850 56.5336 32.9375 176.4168 33 C 4.8609 7.5623 113.8196 56.1346 38.8438 174.0594 34 K 4.2396 8.4425 123.7475 55.6299 33.0503 174.8260 35 P 4.5925 0.0000 0.0000 62.0864 32.2843 174.5214 36 P 4.0818 0.0000 0.0000 63.3877 31.5806 175.8441 37 R 4.0970 7.3323 122.5059 55.2860 34.4436 172.8192 38 C 4.5435 8.9243 120.6941 57.7512 37.5299 172.9603 39 E 4.5168 8.6336 122.9317 55.9743 33.9094 173.8535 40 C 4.6499 8.7644 120.0547 56.6187 39.3147 173.6882 41 I 4.6192 8.0019 121.2525 59.6974 39.8914 176.2576 42 A 4.0521 9.5812 132.3220 55.1033 18.4745 179.1966 43 S 4.2527 8.2290 107.8551 60.0930 62.6718 174.2064 44 A 4.4823 9.2659 121.5931 55.0840 20.0700 176.4631 45 G 3.2572 7.7916 104.9648 45.2031 0.0000 172.1991 46 F 4.7340 7.7597 119.3062 55.8933 40.4658 175.8250 47 V 4.5065 8.8344 115.8416 59.5865 35.5969 174.5141 48 R 4.9479 7.8023 121.0610 54.4598 31.3881 176.5364 49 D 4.4088 9.2484 124.2611 53.4886 41.9404 176.7153 50 A 4.0780 7.9254 127.8370 55.4858 18.3737 178.4297 51 Q 4.3573 8.3108 113.2837 55.7036 28.7180 175.7760 52 G 3.9780 8.3285 105.1521 46.9420 0.0000 173.8351 53 N 4.9229 7.8456 115.8724 50.8935 41.5442 174.9686 54 C 5.0717 8.8637 125.2498 56.4476 41.9888 172.5107 55 I 5.3380 9.0763 119.4983 57.7598 40.9766 175.1297 56 K 3.9669 9.1103 122.7799 56.5624 32.9106 177.8289 57 F 3.9457 8.3942 122.5913 61.2926 39.4468 177.5360 58 E 4.1277 8.1779 119.0691 59.2694 29.4431 177.3100 59 D 4.6959 7.6147 115.9321 54.7980 40.5552 175.9001 60 C 4.5562 7.7139 116.9071 55.9778 40.9567 173.4213 61 P 4.4668 0.0000 0.0000 62.5425 30.9783 176.9475 62 K 4.2102 8.4972 118.3575 57.4715 32.5787 175.9403 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 E 8.44 4.11 0.00 1.92 1.89 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 2.18 2.24 0.00 2 A 7.39 3.68 1.20 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 0.00 0.00 3 E 7.91 3.77 0.00 1.72 1.91 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 2.17 2.07 0.00 4 K 8.34 4.15 0.00 1.87 1.87 0.00 1.56 0.00 0.00 1.71 0.00 0.00 3.02 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.40 1.47 7.81 5 C 8.25 4.86 0.00 3.06 3.11 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 6 T 8.08 4.18 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 1.22 0.00 0.00 7 K 7.61 4.16 0.00 1.75 1.77 0.00 1.74 0.00 0.00 1.75 0.00 0.00 3.05 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.44 1.42 7.81 8 P 0.00 4.34 0.00 2.22 2.15 0.00 3.92 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 2.01 2.02 0.00 9 N 8.11 3.14 0.00 2.77 2.51 0.00 0.00 6.82 7.74 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 10 E 7.89 4.15 0.00 1.78 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 2.24 2.28 0.00 11 Q 9.03 4.71 0.00 2.05 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 7.06 0.00 0.00 0.00 0.00 0.00 2.29 2.26 0.00 12 W 8.80 4.54 0.00 3.63 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 13 T 7.03 4.45 4.07 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 0.97 0.00 0.00 14 K 8.76 4.06 0.00 1.83 1.88 0.00 1.97 0.00 0.00 1.74 0.00 0.00 2.89 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.73 1.85 7.81 15 C 7.77 4.85 0.00 2.85 2.89 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 16 G 8.08 3.80 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 0.00 0.00 0.00 17 G 7.85 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 18 C 8.50 4.65 0.00 2.86 3.05 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.26 4.22 0.00 2.02 1.72 0.00 0.00 0.00 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 2.40 0.00 20 G 8.98 4.97 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 21 T 8.50 4.62 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 22 C 8.54 4.00 0.00 2.81 3.10 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.91 4.55 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 24 Q 8.28 4.48 0.00 2.10 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.61 0.00 0.00 0.00 0.00 0.00 2.30 2.31 0.00 25 K 8.73 3.89 0.00 1.97 1.92 0.00 1.68 0.00 0.00 2.10 0.00 0.00 3.10 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.59 1.64 7.81 26 I 7.49 4.86 1.89 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.81 0.92 0.00 0.00 27 V 8.21 4.25 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 0.00 0.00 0.93 0.00 0.00 28 P 0.00 4.44 0.00 2.09 2.10 0.00 3.81 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 2.01 0.00 29 C 8.40 4.65 0.00 2.96 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 30 T 8.59 3.83 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 31 R 7.21 4.19 0.00 1.86 1.95 0.00 3.08 0.00 0.00 3.21 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.59 0.00 32 E 7.54 4.49 0.00 1.89 1.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.27 0.00 33 C 7.56 4.86 0.00 2.77 2.91 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 34 K 8.44 4.24 0.00 1.63 1.66 0.00 1.64 0.00 0.00 1.76 0.00 0.00 2.87 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.49 1.44 7.81 35 P 0.00 4.59 0.00 1.91 1.98 0.00 3.90 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 2.00 2.00 0.00 36 P 0.00 4.08 0.00 2.15 2.09 0.00 3.98 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.06 0.00 37 R 7.33 4.10 0.00 1.70 1.51 0.00 3.08 0.00 0.00 3.11 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.49 0.00 38 C 8.92 4.54 0.00 2.91 3.01 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 0.00 0.00 0.00 0.00 39 E 8.63 4.52 0.00 1.78 1.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.07 0.00 40 C 8.76 4.65 0.00 2.96 3.18 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.00 4.62 2.02 0.00 0.00 0.60 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 0.83 1.02 0.00 0.00 42 A 9.58 4.05 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 43 S 8.23 4.25 0.00 3.87 3.95 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 44 A 9.27 4.48 1.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.79 3.26 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 0.00 46 F 7.76 4.73 0.00 3.13 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 47 V 8.83 4.51 1.67 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 -0.50 0.00 0.00 0.69 0.00 0.00 48 R 7.80 4.95 0.00 1.61 1.82 0.00 3.13 0.00 0.00 3.12 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.65 0.00 49 D 9.25 4.41 0.00 2.60 2.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 A 7.93 4.08 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.31 4.36 0.00 2.05 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.81 0.00 0.00 0.00 0.00 0.00 2.33 2.49 0.00 52 G 8.33 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 53 N 7.85 4.92 0.00 2.61 2.71 0.00 0.00 6.64 7.58 0.00 0.00 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 8.86 5.07 0.00 2.95 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 55 I 9.08 5.34 1.92 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 2.05 0.98 0.00 0.00 56 K 9.11 3.97 0.00 2.01 1.73 0.00 1.68 0.00 0.00 1.73 0.00 0.00 3.05 0.00 0.00 3.19 0.00 0.00 0.00 0.00 1.36 1.80 7.81 57 F 8.39 3.95 0.00 3.13 2.88 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 58 E 8.18 4.13 0.00 2.02 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 2.32 2.34 0.00 59 D 7.61 4.70 0.00 2.86 2.71 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 60 C 7.71 4.56 0.00 3.20 3.08 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 0.00 0.00 0.00 0.00 61 P 0.00 4.47 0.00 2.07 2.06 0.00 3.88 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.00 0.00 62 K 8.50 4.21 0.00 1.70 1.67 0.00 1.78 0.00 0.00 1.75 0.00 0.00 3.03 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.33 1.39 7.81