NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.3036 8.2493 123.5773 52.3896 19.9091 177.3423 2 S 4.2899 8.3863 104.3862 56.9974 61.0369 170.4375 3 E 4.0189 7.7698 124.8067 56.5697 31.4901 176.8056 4 P 4.2865 0.0000 0.0000 62.6744 32.6559 175.7601 5 R 3.9445 8.1627 121.2583 56.1880 30.2179 176.4475 6 A 4.1352 9.1343 126.7706 52.1706 19.1944 177.1919 7 E 4.2656 8.8404 120.4732 55.7692 30.4657 176.2886 8 D 4.7524 8.8082 122.8252 56.3403 40.9484 176.6507 9 G 4.0123 9.6306 113.2301 46.1077 0.0000 173.3645 10 H 4.0721 8.4007 119.8959 58.3474 29.9588 174.8210 11 A 4.3868 7.9050 119.0647 51.6671 22.1945 174.7985 12 H 4.3077 9.4240 113.6206 57.6604 26.3613 175.3878 13 D 4.7150 8.4541 111.2060 55.2889 39.0280 173.9942 14 Y 4.6400 8.3706 119.8936 57.9893 39.6431 175.4356 15 V 4.7231 7.9287 118.7882 59.3756 34.8131 176.8617 16 N 4.2304 9.7948 120.9583 54.9836 38.9273 174.6092 17 E 4.7345 7.7948 118.9873 53.8580 31.4903 175.5227 18 A 3.8479 9.0488 130.6815 55.4450 18.7402 179.0461 19 A 3.7415 8.0844 117.9371 55.3768 18.3854 178.8719 20 D 4.0786 8.0572 114.9874 57.5933 41.3806 178.0254 21 A 4.0415 7.5466 118.7200 52.4902 17.9269 178.8790 22 S 4.1086 7.4536 115.5218 62.0688 62.9740 176.6038 23 G 3.5665 7.2506 107.9226 47.9310 0.0000 173.2364 24 H 4.3993 8.3556 121.7708 54.8502 30.2739 173.5306 25 P 4.2623 0.0000 0.0000 65.9279 31.1734 177.8619 26 R 4.1889 8.2103 115.3667 58.5596 30.3344 175.9495 27 Y 4.0296 8.0687 119.1658 57.5443 39.2642 174.5369 28 Q 4.2077 6.9310 123.0590 53.5065 33.0048 175.0505 29 E 3.6148 7.8755 119.8695 57.1918 30.2191 177.8757 30 G 3.9277 8.9365 109.8117 45.9453 0.0000 174.1891 31 Q 4.1212 7.2235 118.1347 55.8010 28.4923 175.5152 32 L 5.0861 8.7573 123.0747 52.5875 45.2663 177.5100 33 C 3.9953 9.1735 120.8542 63.1701 28.2597 176.6802 34 E 2.0000 7.5548 116.1267 57.7075 28.8475 177.3331 35 N 4.7709 7.9010 115.8495 52.3414 37.7622 173.8674 36 C 3.7817 8.0546 119.6173 58.6660 32.3801 174.5097 37 A 3.7521 8.0481 129.8656 54.8320 18.2154 178.3366 38 F 4.8261 7.3734 112.9240 57.1459 39.2926 175.0737 39 W 4.2398 8.2322 132.4778 59.0073 30.4788 174.5792 40 G 3.4176 8.4318 115.1135 46.7107 0.0000 173.1608 41 E 4.7305 6.8471 116.0252 54.3549 33.9764 174.6309 42 A 4.6607 8.9192 126.9951 52.2316 19.4421 177.1779 43 V 4.3207 8.9012 122.5788 64.1149 33.5017 175.0291 44 Q 4.2927 7.5192 121.9974 55.3783 30.8917 176.5185 45 D 4.9894 8.9448 110.1977 53.2640 37.2872 176.1805 46 G 3.8418 8.1868 107.1484 47.1368 0.0000 170.9843 47 W 5.5457 8.0605 116.9122 54.8689 33.7104 175.0645 48 G 4.2081 9.6279 109.6170 45.4466 0.0000 171.9678 49 R 4.6203 8.1583 118.9089 55.3882 32.0855 175.7902 50 C 5.0255 7.7338 120.0394 57.3991 33.9123 175.3873 51 T 4.4417 8.8465 120.0297 61.0922 65.9483 173.7167 52 H 4.7767 7.8103 121.8606 54.1007 33.1955 173.0403 53 P 4.2538 0.0000 0.0000 65.9387 31.4585 178.3720 54 D 4.7877 7.8705 118.6958 52.0836 38.6327 175.3349 55 F 4.4223 7.7881 124.4336 59.5812 45.7187 176.4280 56 D 4.3377 8.9107 119.6460 57.0617 41.2707 177.4773 57 E 4.0218 7.3020 117.3706 58.1505 29.4843 177.7140 58 V 4.5232 7.5450 111.0776 58.6223 34.9262 175.3225 59 L 4.3329 8.8087 126.4702 54.8449 43.1325 176.2458 60 V 4.6476 8.5550 120.2007 60.2633 33.5879 175.6769 61 K 3.6796 9.5576 126.3216 56.0855 32.6609 177.5663 62 A 3.7518 8.9325 130.9361 55.4826 18.6057 178.8297 63 E 4.3411 7.8834 112.7345 56.5623 29.8933 176.7661 64 G 3.9896 8.0551 108.9058 46.2509 0.0000 172.2830 65 W 5.4709 8.3679 127.6266 56.7271 34.7257 173.0171 66 C 5.1323 7.3034 118.0751 56.4189 32.6262 174.9300 67 S 3.6969 8.8062 114.2215 60.7410 62.7863 175.9120 68 V 3.7765 7.6277 112.5732 62.2878 31.3417 175.3811 69 Y 3.9964 7.2498 122.0777 58.3482 39.6045 175.1131 70 A 4.8447 7.5924 126.6571 49.1309 22.5888 173.4821 71 P 4.5234 0.0000 0.0000 61.6029 32.6461 175.7905 72 A 4.5511 8.0047 122.5529 51.9498 19.6748 177.5694 73 S 4.2342 7.7992 121.4741 60.8771 63.8573 175.8532 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 4.30 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 2 S 8.39 4.29 0.00 4.02 3.90 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 0.00 0.00 0.00 0.00 3 E 7.77 4.02 0.00 1.92 1.90 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 0.00 2.36 2.34 0.00 4 P 0.00 4.29 0.00 2.03 2.10 0.00 3.65 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.95 0.00 5 R 8.16 3.94 0.00 1.16 0.66 0.00 2.72 0.00 0.00 2.33 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.78 0.00 6 A 9.13 4.14 1.09 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 0.00 0.00 0.00 0.00 0.00 7 E 8.84 4.27 0.00 2.23 1.99 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 2.46 2.45 0.00 8 D 8.81 4.75 0.00 2.78 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 9 G 9.63 4.01 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 0.00 0.00 0.00 10 H 8.40 4.07 0.00 3.36 3.41 0.00 5.98 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 11 A 7.91 4.39 0.79 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 0.00 0.00 0.00 0.00 0.00 0.00 12 H 9.42 4.31 0.00 3.55 3.41 0.00 5.78 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 D 8.45 4.71 0.00 3.07 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.37 4.64 0.00 3.51 3.22 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 15 V 7.93 4.72 2.01 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 0.81 0.00 0.00 0.93 0.00 0.00 16 N 9.79 4.23 0.00 3.07 2.91 0.00 0.00 6.45 8.08 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 17 E 7.79 4.73 0.00 1.88 1.68 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 2.24 2.17 0.00 18 A 9.05 3.85 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 19 A 8.08 3.74 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 20 D 8.06 4.08 0.00 2.65 2.59 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.55 4.04 0.38 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 22 S 7.45 4.11 0.00 3.69 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 23 G 7.25 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 H 8.36 4.40 0.00 3.08 3.15 0.00 5.62 0.00 0.00 0.00 0.00 6.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 P 0.00 4.26 0.00 2.11 2.15 0.00 3.59 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.10 0.00 26 R 8.21 4.19 0.00 2.09 2.52 0.00 3.75 0.00 0.00 3.71 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.78 0.00 27 Y 8.07 4.03 0.00 1.88 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 28 Q 6.93 4.21 0.00 1.66 1.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.81 0.00 0.00 0.00 0.00 0.00 2.16 2.29 0.00 29 E 7.88 3.61 0.00 1.82 1.74 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 2.40 2.21 0.00 30 G 8.94 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 0.00 0.00 0.00 31 Q 7.22 4.12 0.00 1.66 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.59 0.00 0.00 0.00 0.00 0.00 2.07 2.15 0.00 32 L 8.76 5.09 0.00 1.65 1.54 0.94 0.48 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 33 C 9.17 4.00 0.00 3.25 3.25 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 34 E 7.55 2.00 0.00 1.23 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 2.00 1.95 0.00 35 N 7.90 4.77 0.00 2.77 2.82 0.00 0.00 6.90 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 C 8.05 3.78 0.00 3.02 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 37 A 8.05 3.75 0.75 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 0.00 0.00 38 F 7.37 4.83 0.00 3.02 3.02 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 0.00 0.00 0.00 39 W 8.23 4.24 0.00 3.49 3.02 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 0.00 0.00 0.00 40 G 8.43 3.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 E 6.85 4.73 0.00 1.90 1.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.34 0.00 42 A 8.92 4.66 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 43 V 8.90 4.32 2.26 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 0.86 0.00 0.00 0.94 0.00 0.00 44 Q 7.52 4.29 0.00 2.31 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.99 7.03 0.00 0.00 0.00 0.00 0.00 2.43 2.53 0.00 45 D 8.94 4.99 0.00 2.97 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 46 G 8.19 3.84 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 0.00 0.00 0.00 0.00 0.00 0.00 47 W 8.06 5.55 0.00 3.37 3.16 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 48 G 9.63 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 0.00 0.00 0.00 0.00 49 R 8.16 4.62 0.00 1.45 1.86 0.00 2.99 0.00 0.00 2.99 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.41 0.00 50 C 7.73 5.03 0.00 2.95 2.72 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 0.00 0.00 0.00 51 T 8.85 4.44 4.29 0.00 0.00 0.00 0.00 0.00 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 52 H 7.81 4.78 0.00 3.29 3.41 0.00 5.82 0.00 0.00 0.00 0.00 6.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 P 0.00 4.25 0.00 2.18 2.28 0.00 3.57 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.90 0.00 54 D 7.87 4.79 0.00 2.74 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 55 F 7.79 4.42 0.00 3.16 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 56 D 8.91 4.34 0.00 2.84 2.72 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 0.00 0.00 0.00 57 E 7.30 4.02 0.00 2.25 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 0.00 2.47 2.38 0.00 58 V 7.54 4.52 2.05 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 0.50 0.00 0.00 0.64 0.00 0.00 59 L 8.81 4.33 0.00 1.86 1.52 0.95 1.06 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 60 V 8.55 4.65 2.36 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 0.40 0.00 0.00 1.17 0.00 0.00 61 K 9.56 3.68 0.00 0.94 1.55 0.00 0.76 0.00 0.00 1.42 0.00 0.00 2.25 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.12 0.21 7.81 62 A 8.93 3.75 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 63 E 7.88 4.34 0.00 1.94 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 2.27 2.22 0.00 64 G 8.06 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 65 W 8.37 5.47 0.00 3.35 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 66 C 7.30 5.13 0.00 3.41 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 67 S 8.81 3.70 0.00 4.07 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 68 V 7.63 3.78 1.93 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 0.50 0.00 0.00 0.69 0.00 0.00 69 Y 7.25 4.00 0.00 2.55 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 70 A 7.59 4.84 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 P 0.00 4.52 0.00 2.28 2.25 0.00 3.32 0.00 0.00 2.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 1.89 0.00 72 A 8.00 4.55 1.19 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 0.00 0.00 0.00 73 S 7.80 4.23 0.00 3.80 3.69 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