NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.3525 8.2493 123.5730 51.9910 20.8308 177.3797 2 R 4.1604 7.7670 120.6787 56.2416 32.4077 171.4487 3 E 5.0705 8.8571 117.3407 56.2344 32.8937 177.9689 4 V 4.8184 8.7834 117.8524 60.0575 36.9463 173.8434 5 I 5.2032 8.9373 123.3344 59.4016 41.6678 173.8242 6 L 5.2789 8.8905 127.9636 54.0103 44.5316 175.2060 7 A 4.4592 8.8853 124.0733 51.4489 19.5053 177.0704 8 V 4.6381 8.4225 125.5443 61.5264 29.7279 176.0406 9 H 4.1143 8.5492 120.5979 58.1707 29.1675 177.0020 10 G 3.9602 8.1774 106.2935 47.0886 0.0000 173.6425 11 M 4.2235 8.0052 121.1443 55.9520 31.9604 174.9356 12 T 4.5045 8.2652 119.9362 64.8659 72.4778 174.8605 13 C 4.5450 7.7368 114.3280 57.4671 32.1834 173.8612 14 S 4.3582 8.5961 113.9884 61.5443 62.5854 176.6091 15 A 4.1237 7.9090 120.8289 54.8061 18.1606 178.8517 16 C 4.3417 8.1196 115.4678 62.6866 28.2689 175.8759 17 T 4.2005 8.1069 111.7056 64.6327 68.6784 176.7421 18 N 4.3966 8.1541 118.4351 55.8919 38.2593 176.9918 19 T 4.1476 7.5276 117.6804 67.0040 68.3227 175.7652 20 I 3.7656 8.0285 122.4289 63.9081 37.0704 177.5705 21 N 4.2580 8.0146 116.9156 57.1949 38.7562 176.9522 22 T 3.8661 8.0992 116.2392 66.9358 68.9983 176.2540 23 Q 4.1284 7.6016 119.2580 58.9077 28.8415 178.6253 24 L 3.9453 8.1536 120.1749 58.0702 41.7082 179.4346 25 R 4.1587 8.0681 114.0900 57.3674 29.9066 177.3177 26 A 4.2433 7.5828 120.4962 53.3532 19.2196 177.8685 27 L 4.2777 7.8440 117.7083 54.2418 42.2026 178.3895 28 K 4.5939 8.6639 121.7984 56.7921 31.5043 177.7714 29 G 4.2787 8.4375 104.5256 45.6673 0.0000 173.2450 30 V 4.2549 7.9277 121.2861 63.2938 31.8408 175.6023 31 T 4.4711 9.1136 124.4334 65.0226 70.6876 174.4701 32 K 4.5260 7.6482 119.0443 55.8253 35.7729 174.4198 33 C 4.8039 8.6104 125.4790 58.4676 33.3984 172.6773 34 D 5.1220 9.1367 127.0231 53.0223 43.2427 175.6434 35 I 5.0232 7.9065 112.0362 59.9066 41.0280 174.2984 36 S 4.6403 8.9898 119.4492 57.0948 65.6838 175.1536 37 L 4.2359 8.8491 124.6258 56.1818 42.1601 177.9143 38 V 3.9934 7.7765 117.2105 64.1847 31.8623 176.3209 39 T 4.2235 7.8396 107.7629 60.7312 69.5481 174.5609 40 N 4.2327 7.8529 117.2724 53.6106 37.1319 173.2617 41 E 4.5012 7.6407 117.4985 56.8957 30.8427 175.2859 42 C 5.0039 9.0238 124.5406 57.5583 34.6857 172.2887 43 Q 4.8705 9.2110 127.5658 54.4831 31.0018 173.5616 44 V 4.8959 8.8212 126.9190 61.3229 34.5584 174.4318 45 T 5.1333 8.7299 123.1700 62.0382 72.2675 172.4922 46 Y 4.9453 7.9458 120.5282 56.9147 41.1515 173.9756 47 D 4.3568 9.5521 122.3460 54.8554 40.7485 175.4907 48 N 4.2777 8.2132 116.8634 54.5229 41.5960 174.0202 49 E 4.5014 10.4831 121.5815 55.8281 27.2277 175.4466 50 V 4.3881 7.4530 115.2918 59.8963 33.8021 173.1932 51 T 4.6802 8.0633 112.0822 60.0877 72.2705 175.4957 52 A 3.9869 8.5337 123.7029 55.3877 18.0820 179.6811 53 D 4.2531 8.0647 116.1585 57.6574 41.3942 178.5123 54 S 4.1993 7.9935 115.3816 61.6197 62.7578 176.6938 55 I 3.6372 7.9933 122.7769 64.3131 36.8287 178.3543 56 K 3.9463 8.3133 120.5496 59.4261 31.8358 178.3401 57 E 4.0194 7.9197 118.2933 58.7668 29.5729 178.7021 58 I 3.6859 7.7113 119.9799 64.6302 36.9322 178.5313 59 I 4.0057 8.1910 120.7813 64.1142 36.9345 178.3628 60 E 4.2734 8.4872 119.8329 59.2116 29.1139 178.2950 61 D 4.6029 8.1392 116.9491 55.7882 41.1278 177.5352 62 C 4.3754 7.8399 116.9833 60.5232 28.2657 174.1393 63 G 3.6731 7.8319 108.9218 45.5109 0.0000 173.4218 64 F 5.1628 7.1661 119.5862 55.8292 41.2953 175.6410 65 D 4.9032 8.7303 122.1132 54.3501 42.3660 176.0017 66 C 5.2235 8.1271 112.1668 58.2974 30.4609 172.6682 67 E 4.7547 8.5949 119.8096 54.4697 32.7648 175.2995 68 I 4.0892 8.3856 124.5779 61.2379 36.8389 175.6655 69 L 4.1911 8.7377 130.8675 57.9241 42.4658 177.3225 70 R 4.7986 7.6933 115.5490 54.3752 34.9251 174.5702 71 D 4.9950 8.4785 119.6764 53.4707 40.2417 176.7127 72 S 4.2012 7.8750 121.3811 60.3939 63.7795 175.3573 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 4.35 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 2 R 7.77 4.16 0.00 1.67 1.81 0.00 2.61 0.00 0.00 2.79 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.55 0.00 3 E 8.86 5.07 0.00 1.88 1.75 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 2.09 2.35 0.00 4 V 8.78 4.82 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 0.00 0.00 1.10 0.00 0.00 5 I 8.94 5.20 1.87 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 1.50 0.96 0.00 0.00 6 L 8.89 5.28 0.00 1.68 1.68 0.89 0.48 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 7 A 8.89 4.46 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.42 4.64 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 0.22 0.00 0.00 0.82 0.00 0.00 9 H 8.55 4.11 0.00 3.23 3.39 0.00 5.75 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 G 8.18 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 11 M 8.01 4.22 0.00 1.94 2.01 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.20 0.00 12 T 8.27 4.50 4.28 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 1.23 0.00 0.00 13 C 7.74 4.54 0.00 3.09 2.99 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 14 S 8.60 4.36 0.00 3.89 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 15 A 7.91 4.12 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 C 8.12 4.34 0.00 3.10 3.17 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.11 4.20 4.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 18 N 8.15 4.40 0.00 2.77 2.92 0.00 0.00 7.16 7.06 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 19 T 7.53 4.15 4.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 20 I 8.03 3.77 1.97 0.00 0.00 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.88 0.88 0.00 0.00 21 N 8.01 4.26 0.00 2.75 2.82 0.00 0.00 7.23 7.22 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 22 T 8.10 3.87 4.31 0.00 0.00 0.00 0.00 0.00 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 23 Q 7.60 4.13 0.00 2.18 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.84 0.00 0.00 0.00 0.00 0.00 2.38 2.52 0.00 24 L 8.15 3.95 0.00 1.68 1.69 0.90 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 25 R 8.07 4.16 0.00 1.90 1.98 0.00 3.16 0.00 0.00 3.23 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.68 0.00 26 A 7.58 4.24 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.84 4.28 0.00 1.77 1.56 0.85 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 28 K 8.66 4.59 0.00 1.75 1.83 0.00 1.72 0.00 0.00 1.71 0.00 0.00 2.99 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.44 1.38 7.81 29 G 8.44 4.28 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 0.00 30 V 7.93 4.25 2.20 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 0.97 0.00 0.00 0.90 0.00 0.00 31 T 9.11 4.47 4.34 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 1.22 0.00 0.00 32 K 7.65 4.53 0.00 1.80 1.60 0.00 1.68 0.00 0.00 1.75 0.00 0.00 2.78 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.38 1.40 7.81 33 C 8.61 4.80 0.00 2.97 2.78 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 0.00 0.00 0.00 34 D 9.14 5.12 0.00 2.72 2.54 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 35 I 7.91 5.02 1.81 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 1.32 0.43 0.84 0.00 0.00 36 S 8.99 4.64 0.00 3.80 3.73 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 37 L 8.85 4.24 0.00 1.62 1.71 0.92 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 38 V 7.78 3.99 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 0.78 0.00 0.00 0.93 0.00 0.00 39 T 7.84 4.22 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 1.20 0.00 0.00 40 N 7.85 4.23 0.00 3.27 3.07 0.00 0.00 6.91 7.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 E 7.64 4.50 0.00 1.95 1.88 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 2.29 2.40 0.00 42 C 9.02 5.00 0.00 2.84 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 43 Q 9.21 4.87 0.00 2.09 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.54 0.00 0.00 0.00 0.00 0.00 2.24 2.26 0.00 44 V 8.82 4.90 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.93 0.00 0.00 45 T 8.73 5.13 4.27 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 1.25 0.00 0.00 46 Y 7.95 4.95 0.00 3.19 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 47 D 9.55 4.36 0.00 2.72 2.83 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 48 N 8.21 4.28 0.00 2.70 2.68 0.00 0.00 7.31 7.67 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 49 E 10.48 4.50 0.00 2.08 2.40 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 2.18 2.24 0.00 50 V 7.45 4.39 1.94 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 0.14 0.00 0.00 0.82 0.00 0.00 51 T 8.06 4.68 4.28 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 1.25 0.00 0.00 52 A 8.53 3.99 1.39 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 53 D 8.06 4.25 0.00 2.81 2.69 0.00 0.00 0.00 0.00 0.00 0.00 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 S 7.99 4.20 0.00 4.09 3.86 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 55 I 7.99 3.64 1.98 0.00 0.00 0.56 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 0.66 0.88 0.00 0.00 56 K 8.31 3.95 0.00 1.90 1.99 0.00 1.64 0.00 0.00 1.59 0.00 0.00 2.92 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.46 1.48 7.81 57 E 7.92 4.02 0.00 2.13 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 2.30 2.35 0.00 58 I 7.71 3.69 2.02 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.61 0.91 0.00 0.00 59 I 8.19 4.01 1.92 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.10 1.00 0.00 0.00 60 E 8.49 4.27 0.00 2.15 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 2.53 2.54 0.00 61 D 8.14 4.60 0.00 2.84 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 62 C 7.84 4.38 0.00 3.41 3.12 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 0.00 0.00 0.00 0.00 63 G 7.83 3.67 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 F 7.17 5.16 0.00 3.21 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 65 D 8.73 4.90 0.00 2.67 2.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 C 8.13 5.22 0.00 3.04 2.93 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 67 E 8.59 4.75 0.00 1.91 1.87 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 2.33 2.28 0.00 68 I 8.39 4.09 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 1.25 0.76 0.93 0.00 0.00 69 L 8.74 4.19 0.00 1.63 1.79 0.92 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 70 R 7.69 4.80 0.00 1.76 1.74 0.00 3.16 0.00 0.00 3.38 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.63 0.00 71 D 8.48 5.00 0.00 2.79 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 72 S 7.88 4.20 0.00 3.81 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