NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 8 C 4.5084 8.3293 115.5941 57.2188 31.2926 172.9158 9 F 4.6409 6.9276 112.4444 55.6569 39.9472 172.1158 10 A 4.1723 8.5778 125.4198 52.8485 19.8882 178.7839 11 T 4.7133 8.2784 109.8366 61.5489 69.6814 176.3543 12 L 4.0601 8.1508 124.5229 58.3384 41.5910 179.3477 13 G 3.6673 8.1672 104.8862 47.9101 0.0000 175.4084 14 A 4.1139 8.0701 122.7804 55.0822 18.1923 179.7285 15 T 3.8201 7.6597 113.7418 66.7129 68.8111 176.6378 16 L 3.8339 7.6958 120.8267 57.6195 41.5986 179.3483 17 Q 4.3674 8.1859 118.0359 59.4485 28.5661 178.9176 18 D 4.5400 8.1662 117.6982 56.5036 41.0613 177.9455 19 S 4.5458 7.9280 114.7744 57.6241 63.1769 174.0205 20 I 3.9867 6.9899 123.1662 63.2544 37.1406 176.4819 21 G 3.9938 9.7241 114.4987 44.9622 0.0000 173.0180 22 K 4.6980 8.0058 119.4090 54.2407 35.3001 175.5792 23 Q 4.7203 8.5324 123.8526 56.4642 30.2973 175.2024 24 V 4.9050 9.3102 118.6080 59.5195 36.3306 174.0273 25 L 4.8905 9.0654 125.7754 53.6752 44.2116 175.3558 26 V 4.7224 9.0093 125.5600 61.0894 34.8214 174.0807 27 K 4.8777 7.7469 126.4390 54.5721 34.6676 175.2365 28 L 5.1390 8.4821 122.7180 52.3208 45.2498 175.9697 29 R 3.8790 8.5953 118.7584 56.9147 31.3727 176.8089 30 D 4.2287 9.2317 117.0743 55.6570 38.2975 174.0002 31 S 3.7499 7.2905 107.8812 60.0399 60.8927 171.5652 32 H 4.7792 7.6574 115.6590 54.6651 30.7666 174.4584 33 E 4.9605 8.6475 122.2861 54.5819 32.7034 174.2318 34 I 5.2236 8.9459 127.1726 59.6770 41.6797 174.7032 35 R 5.2541 8.3721 122.7717 53.3163 34.6938 174.8039 36 G 4.1250 8.0337 107.5050 46.5022 0.0000 171.2803 37 I 4.7629 7.9702 121.1942 59.7680 38.8242 175.5754 38 L 4.5634 8.7511 130.2240 55.3926 42.2473 177.1257 39 R 4.3698 8.7812 125.4734 56.9666 32.4193 176.0597 40 S 4.7367 7.9025 111.1287 57.8946 65.6909 173.7149 41 F 5.7304 8.1522 117.4830 57.3292 40.6354 171.9893 42 D 4.9192 8.4713 118.2598 51.1828 42.2943 176.1508 43 Q 4.1383 8.5997 115.8499 59.0312 28.9042 176.5235 44 H 4.5929 8.7044 115.6359 55.2836 28.8922 175.8999 45 V 3.4530 7.8321 117.9002 63.7014 30.6100 171.5014 46 N 4.9142 8.2830 115.0712 52.9018 39.7159 174.0715 47 L 5.3772 9.2538 121.9119 52.8776 46.6475 175.0713 48 L 5.1324 8.7825 122.9720 53.4054 44.6236 175.1777 49 L 5.3594 9.2836 126.0805 53.0383 45.2407 175.3712 50 E 4.8576 9.0450 121.0496 54.8422 33.3796 175.5507 51 D 4.5197 8.7768 118.3614 55.3182 38.8958 174.1641 52 A 4.7277 8.5609 120.4841 52.1592 19.9414 177.3871 53 E 5.1112 9.2930 116.9995 55.0634 33.6572 173.9405 54 E 4.9944 9.3747 121.2411 55.0910 32.2699 175.1320 55 I 4.9525 8.6566 124.7113 59.8619 38.9246 175.4686 56 I 4.4232 8.7034 128.4626 60.4951 39.8298 175.8461 57 D 4.3828 9.9282 126.9541 55.4371 38.2623 174.9549 58 G 3.9731 8.3304 104.2294 45.7383 0.0000 173.2768 59 N 4.8915 8.1936 117.6596 51.3473 40.8164 173.5454 60 V 4.7312 7.9859 120.8723 61.6082 33.3438 174.3880 61 Y 4.5469 9.1285 126.3488 56.0259 40.0616 175.1665 62 K 4.4815 8.7370 124.8290 56.4567 32.2979 177.2305 63 R 4.4310 9.5840 123.7218 54.5197 33.1365 177.0177 64 G 4.0025 8.5455 104.8463 44.8635 0.0000 175.8763 65 T 4.7944 8.5090 119.1901 62.9214 69.5205 172.6506 66 M 4.7209 9.0714 125.3999 54.0969 36.0533 173.4434 67 V 4.6562 8.4963 126.1754 61.5702 33.1759 174.7564 68 V 4.4227 8.8880 128.2818 61.0384 34.2181 174.7507 69 R 4.6997 8.5714 127.0869 55.3260 30.8107 177.6973 70 G 4.0647 9.3647 112.8060 47.8784 0.0000 174.8530 71 E 3.8355 8.3390 119.8245 58.9175 29.6698 177.1422 72 N 4.8251 8.0439 113.4809 52.7663 38.9065 174.2645 73 V 4.1502 7.6569 119.0358 62.4467 32.5011 175.5227 74 L 4.5834 8.7817 127.8335 56.4298 42.5052 176.6416 75 F 5.0543 7.2455 111.4312 55.8194 41.4960 172.4351 76 I 5.0946 8.5326 119.6873 59.6835 40.4106 175.0069 77 S 4.5744 9.6524 121.5242 55.6351 65.1838 171.3130 78 P 4.6467 0.0000 0.0000 62.8524 31.7890 176.4384 79 V 3.6392 8.7741 125.6210 62.7588 31.3351 174.0524 80 P 4.0677 0.0000 0.0000 65.0610 31.6891 176.3521 81 G 4.3096 8.0060 110.3949 46.1363 0.0000 173.0261 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 8 C 8.33 4.51 0.00 3.18 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 9 F 6.93 4.64 0.00 3.22 3.04 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 0.00 0.00 0.00 10 A 8.58 4.17 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 11 T 8.28 4.71 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 1.17 0.00 0.00 12 L 8.15 4.06 0.00 1.69 1.75 0.93 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 13 G 8.17 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 14 A 8.07 4.11 1.46 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 0.00 0.00 0.00 15 T 7.66 3.82 4.39 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 1.17 0.00 0.00 16 L 7.70 3.83 0.00 0.98 0.13 0.46 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 17 Q 8.19 4.37 0.00 2.38 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.81 0.00 0.00 0.00 0.00 0.00 2.63 2.95 0.00 18 D 8.17 4.54 0.00 2.81 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 19 S 7.93 4.55 0.00 3.93 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 20 I 6.99 3.99 2.03 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.89 0.96 0.00 0.00 21 G 9.72 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 22 K 8.01 4.70 0.00 1.82 1.71 0.00 1.75 0.00 0.00 1.64 0.00 0.00 2.83 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.38 1.37 7.81 23 Q 8.53 4.72 0.00 2.15 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.83 0.00 0.00 0.00 0.00 0.00 2.44 2.49 0.00 24 V 9.31 4.91 2.10 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 0.98 0.00 0.00 1.01 0.00 0.00 25 L 9.07 4.89 0.00 1.79 1.77 1.08 1.05 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 26 V 9.01 4.72 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 0.95 0.00 0.00 0.92 0.00 0.00 27 K 7.75 4.88 0.00 0.79 1.34 0.00 1.71 0.00 0.00 1.59 0.00 0.00 2.87 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.16 0.95 7.81 28 L 8.48 5.14 0.00 1.52 1.65 0.85 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 29 R 8.60 3.88 0.00 1.73 1.86 0.00 3.44 0.00 0.00 3.17 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.77 0.00 30 D 9.23 4.23 0.00 2.91 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 31 S 7.29 3.75 0.00 3.96 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 32 H 7.66 4.78 0.00 3.07 3.16 0.00 5.56 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 E 8.65 4.96 0.00 1.97 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 2.27 2.30 0.00 34 I 8.95 5.22 1.84 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 1.23 0.49 0.91 0.00 0.00 35 R 8.37 5.25 0.00 1.72 1.77 0.00 3.24 0.00 0.00 3.29 7.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.42 0.00 36 G 8.03 4.12 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 0.00 0.00 0.00 37 I 7.97 4.76 1.89 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 1.13 0.58 0.93 0.00 0.00 38 L 8.75 4.56 0.00 1.82 1.73 1.10 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 39 R 8.78 4.37 0.00 1.72 1.96 0.00 3.43 0.00 0.00 3.18 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.70 0.00 40 S 7.90 4.74 0.00 3.84 3.64 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 0.00 0.00 0.00 41 F 8.15 5.73 0.00 3.15 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 42 D 8.47 4.92 0.00 2.85 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 43 Q 8.60 4.14 0.00 2.12 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.00 7.13 0.00 0.00 0.00 0.00 0.00 2.18 1.96 0.00 44 H 8.70 4.59 0.00 3.37 3.38 0.00 5.72 0.00 0.00 0.00 0.00 6.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 V 7.83 3.45 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 0.73 0.00 0.00 0.96 0.00 0.00 46 N 8.28 4.91 0.00 3.03 2.75 0.00 0.00 6.78 6.74 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 47 L 9.25 5.38 0.00 1.53 1.56 0.92 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 48 L 8.78 5.13 0.00 1.76 1.52 0.99 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 49 L 9.28 5.36 0.00 1.56 1.52 0.93 0.71 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 50 E 9.04 4.86 0.00 1.87 1.81 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 2.22 2.26 0.00 51 D 8.78 4.52 0.00 2.81 2.74 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 52 A 8.56 4.73 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 53 E 9.29 5.11 0.00 2.08 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.32 0.00 54 E 9.37 4.99 0.00 1.99 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 2.25 2.29 0.00 55 I 8.66 4.95 2.02 0.00 0.00 0.90 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 0.49 0.95 0.00 0.00 56 I 8.70 4.42 1.98 0.00 0.00 0.42 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 0.85 0.87 0.00 0.00 57 D 9.93 4.38 0.00 2.83 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 58 G 8.33 3.97 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 59 N 8.19 4.89 0.00 2.94 2.51 0.00 0.00 6.45 8.06 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 60 V 7.99 4.73 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 0.80 0.00 0.00 0.93 0.00 0.00 61 Y 9.13 4.55 0.00 2.94 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 62 K 8.74 4.48 0.00 1.66 1.77 0.00 1.69 0.00 0.00 1.71 0.00 0.00 3.07 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.45 1.46 7.81 63 R 9.58 4.43 0.00 1.62 1.95 0.00 3.34 0.00 0.00 3.29 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.71 0.00 64 G 8.55 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.51 4.79 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 1.22 0.00 0.00 66 M 9.07 4.72 0.00 2.03 1.85 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.47 0.00 67 V 8.50 4.66 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 0.82 0.00 0.00 0.94 0.00 0.00 68 V 8.89 4.42 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 0.90 0.00 0.00 0.93 0.00 0.00 69 R 8.57 4.70 0.00 1.90 1.84 0.00 3.18 0.00 0.00 3.33 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.61 0.00 70 G 9.36 4.06 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 0.00 0.00 0.00 0.00 0.00 0.00 71 E 8.34 3.84 0.00 1.93 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 2.30 2.36 0.00 72 N 8.04 4.83 0.00 2.77 2.76 0.00 0.00 6.60 8.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 V 7.66 4.15 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 0.76 0.00 0.00 0.94 0.00 0.00 74 L 8.78 4.58 0.00 1.45 1.74 0.95 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 75 F 7.25 5.05 0.00 3.03 3.13 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 76 I 8.53 5.09 1.89 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 1.22 0.70 0.91 0.00 0.00 77 S 9.65 4.57 0.00 3.84 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 78 P 0.00 4.65 0.00 1.97 1.99 0.00 3.72 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.08 0.00 79 V 8.77 3.64 2.10 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 0.75 0.00 0.00 0.98 0.00 0.00 80 P 0.00 4.07 0.00 2.08 2.08 0.00 3.89 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.13 0.00 81 G 8.01 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 0.00 0.00 0.00 0.00