NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 E 4.3874 8.3033 120.2308 55.9494 31.0819 176.5423 4 V 3.5500 8.1640 113.4677 64.3627 31.6402 177.7885 5 C 4.7729 8.1418 115.2255 58.3950 41.1066 173.6964 6 S 4.4860 7.5703 112.7842 58.2960 63.7320 174.6386 7 E 4.1782 7.7141 121.5378 56.1058 29.7764 176.8804 8 Q 4.0558 8.3205 120.7692 55.2553 29.5329 176.0209 9 A 3.3138 7.6441 123.5438 51.8778 18.5628 176.9385 10 E 4.6977 8.1344 122.5641 54.7177 32.1461 176.4715 11 T 4.1785 8.7150 121.0073 65.0811 68.8847 175.8638 12 G 4.3390 8.4585 104.4601 45.5677 0.0000 171.2146 13 P 4.4038 0.0000 0.0000 64.4024 32.2151 177.6745 14 C 4.5195 7.8486 116.9113 57.1264 40.7414 173.5165 15 R 4.6526 8.1999 118.9069 56.1448 30.5114 176.4137 16 A 4.5126 7.8475 120.5100 51.0588 21.5033 177.5414 17 M 4.8660 8.1120 115.3468 53.5534 30.9505 173.0504 18 I 4.3842 8.7005 126.9669 60.4823 39.5362 174.8141 19 S 4.2272 8.8521 122.7358 58.5280 62.9270 173.0472 20 R 4.8546 8.5794 125.6318 54.2726 34.9758 173.9248 21 W 5.7394 9.5474 119.1052 55.5475 33.0061 174.7014 22 Y 5.5482 9.2432 119.7350 55.5937 41.5977 173.5264 23 F 4.5898 9.8854 124.1627 57.3711 40.5677 174.4699 24 D 4.5381 7.8985 127.2850 52.7627 41.3708 177.4740 25 V 3.6743 8.4855 120.7078 64.7640 32.1104 178.2751 26 T 4.0034 7.9658 115.4884 66.7820 68.3356 175.5270 27 E 4.0043 8.6681 118.9638 56.8260 29.7192 177.5163 28 G 3.8441 8.4370 106.7554 45.5612 0.0000 172.9313 29 K 4.5753 6.6780 117.0747 55.4733 36.2327 174.9831 30 C 5.0278 8.6816 117.7340 56.6923 42.2514 173.3402 31 A 5.1610 8.7620 124.1637 49.4931 22.4556 173.6436 32 P 4.4319 0.0000 0.0000 62.2500 32.9751 174.9069 33 F 4.7207 8.6923 115.0527 55.9606 41.8749 172.7685 34 F 5.0218 8.5534 118.4538 56.3389 40.0336 174.7495 35 Y 4.7447 8.9882 126.4660 56.0154 40.1447 176.7201 36 G 3.8690 8.2787 113.7649 46.7950 0.0000 175.0337 37 G 3.9068 6.6613 106.9522 45.4387 0.0000 172.3343 38 C 4.8656 7.2884 112.8365 54.8839 45.1830 174.6277 39 G 3.9288 9.2659 108.3193 48.6678 0.0000 172.9992 40 G 3.9840 9.0620 109.6802 45.0840 0.0000 169.7591 41 N 5.0799 8.1394 117.1497 51.4144 40.2522 173.9943 42 R 3.9442 8.4548 115.2528 58.3421 30.8320 177.0613 43 N 4.5215 7.8564 118.9072 51.2414 37.1713 174.0044 44 N 4.8613 6.3795 116.4293 52.7265 40.7482 173.0722 45 F 4.9979 9.2628 124.9224 55.3623 42.4623 176.7369 46 D 4.4467 8.8833 123.4838 57.0479 41.1950 177.2607 47 T 4.7367 7.5952 107.4726 58.9755 73.2885 174.2750 48 E 2.8936 7.2583 121.2199 58.8262 29.3982 178.6967 49 E 3.7674 7.6512 118.3102 59.3835 29.6966 178.5196 50 Y 3.6820 8.0029 119.5653 60.5600 38.8026 176.9607 51 C 2.8149 7.9392 119.0569 59.7610 43.8523 175.6094 52 M 3.7513 8.0155 119.9567 58.2352 31.2456 178.6304 53 A 3.7645 7.7161 120.1986 54.4710 18.4888 179.0526 54 V 3.7913 7.0814 115.0751 64.5245 32.2427 176.5359 55 C 4.5307 8.3102 114.2157 56.7456 41.7563 174.1587 56 G 3.7254 7.7663 114.0599 45.7256 0.0000 173.1772 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 3 E 8.30 4.39 0.00 2.07 1.96 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 2.30 2.35 0.00 4 V 8.16 3.55 2.14 0.00 0.00 0.00 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 1.11 0.00 0.00 5 C 8.14 4.77 0.00 2.93 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 6 S 7.57 4.49 0.00 4.04 4.04 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 7 E 7.71 4.18 0.00 2.12 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 2.36 2.43 0.00 8 Q 8.32 4.06 0.00 1.96 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.93 0.00 0.00 0.00 0.00 0.00 2.33 2.33 0.00 9 A 7.64 3.31 -0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.13 4.70 0.00 1.93 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 0.00 2.18 2.23 0.00 11 T 8.72 4.18 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 1.30 0.00 0.00 12 G 8.46 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 0.00 0.00 0.00 0.00 13 P 0.00 4.40 0.00 2.17 2.18 0.00 3.94 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.98 0.00 14 C 7.85 4.52 0.00 2.94 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 15 R 8.20 4.65 0.00 1.73 1.86 0.00 3.16 0.00 0.00 3.19 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.55 0.00 16 A 7.85 4.51 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 17 M 8.11 4.87 0.00 1.69 1.37 0.00 0.00 0.00 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.35 0.00 18 I 8.70 4.38 2.05 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 1.13 0.87 0.97 0.00 0.00 19 S 8.85 4.23 0.00 3.87 3.77 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 20 R 8.58 4.85 0.00 0.71 1.74 0.00 3.45 0.00 0.00 3.20 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.57 0.00 21 W 9.55 5.74 0.00 3.52 3.32 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 22 Y 9.24 5.55 0.00 3.10 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 23 F 9.89 4.59 0.00 3.07 3.14 0.00 0.00 0.00 0.00 0.00 0.00 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 D 7.90 4.54 0.00 2.30 2.27 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 25 V 8.49 3.67 2.18 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 1.00 0.00 0.00 0.98 0.00 0.00 26 T 7.97 4.00 4.40 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 1.20 0.00 0.00 27 E 8.67 4.00 0.00 1.98 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 2.25 0.00 28 G 8.44 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 29 K 6.68 4.58 0.00 1.76 1.84 0.00 1.47 0.00 0.00 1.79 0.00 0.00 2.85 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.26 1.37 7.81 30 C 8.68 5.03 0.00 2.92 3.31 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 31 A 8.76 5.16 0.98 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 32 P 0.00 4.43 0.00 1.30 0.49 0.00 3.61 0.00 0.00 3.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.49 0.00 33 F 8.69 4.72 0.00 2.93 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 34 F 8.55 5.02 0.00 2.99 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 35 Y 8.99 4.74 0.00 2.41 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 36 G 8.28 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 0.00 0.00 0.00 37 G 6.66 3.91 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 0.00 0.00 0.00 38 C 7.29 4.87 0.00 3.06 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 39 G 9.27 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 40 G 9.06 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 41 N 8.14 5.08 0.00 2.74 2.79 0.00 0.00 5.91 7.66 0.00 0.00 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 R 8.45 3.94 0.00 1.81 1.99 0.00 3.19 0.00 0.00 3.15 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.60 0.00 43 N 7.86 4.52 0.00 3.01 2.86 0.00 0.00 6.87 7.94 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 44 N 6.38 4.86 0.00 2.56 2.39 0.00 0.00 7.09 7.02 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 45 F 9.26 5.00 0.00 3.28 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 46 D 8.88 4.45 0.00 2.65 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 47 T 7.60 4.74 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 1.26 0.00 0.00 48 E 7.26 2.89 0.00 1.16 1.12 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 1.91 1.68 0.00 49 E 7.65 3.77 0.00 2.01 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 2.31 2.29 0.00 50 Y 8.00 3.68 0.00 3.05 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 51 C 7.94 2.81 0.00 3.14 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 52 M 8.02 3.75 0.00 1.96 1.95 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.70 0.00 53 A 7.72 3.76 1.05 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 0.00 0.00 54 V 7.08 3.79 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 0.95 0.00 0.00 0.84 0.00 0.00 55 C 8.31 4.53 0.00 2.66 1.97 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 56 G 7.77 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 0.00 0.00 0.00