NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 V 4.0453 8.0549 120.3904 62.9180 32.3130 174.5381 2 T 4.3007 8.4813 123.8242 61.3372 71.0635 172.0106 3 S 4.8490 9.0629 123.1433 56.7249 67.1124 172.7617 4 Y 4.7784 8.3811 119.3640 56.4296 41.1580 175.2156 5 T 4.8075 8.4484 113.2091 59.8304 71.9582 172.9580 6 L 4.7545 8.2092 123.6529 53.8854 45.2948 175.2610 7 S 4.7261 8.2352 119.6342 57.4152 66.9247 172.4334 8 D 4.4887 8.1565 120.2212 53.6111 43.7480 174.5832 9 V 4.0832 8.1755 122.3728 61.4823 32.3204 175.3023 10 V 4.3045 8.1272 126.0393 61.2435 33.9913 175.4824 11 S 4.4476 8.4096 122.8313 56.3359 61.1406 173.3526 12 L 3.9242 8.3727 127.4270 57.9629 41.6635 178.0432 13 K 3.8423 8.0546 117.3963 59.2819 32.1677 177.3530 14 D 4.6364 7.9207 116.5665 54.5828 41.1621 176.8072 15 V 4.1310 7.4877 117.5623 63.8532 33.1760 175.7873 16 V 4.3895 7.5240 111.0595 58.4524 33.6545 173.6307 17 P 4.5595 0.0000 0.0000 62.1660 32.0136 176.1375 18 E 3.9090 8.8079 119.2831 58.0418 29.6437 176.8420 19 W 4.7422 8.0658 117.2848 54.8056 31.3099 175.0734 20 V 4.6676 8.2967 114.5750 59.7409 35.2521 174.6463 21 R 4.6954 8.3897 119.1752 54.3925 32.6201 175.6678 22 I 4.4452 7.7261 113.7970 58.9773 40.2086 175.2110 23 G 3.7105 7.1423 107.6922 45.9671 0.0000 172.0651 24 F 4.9915 8.2857 116.8008 55.5388 42.1574 174.9100 25 S 4.7360 8.4029 115.7693 56.7418 65.9594 173.1803 26 A 4.6208 8.1875 123.4490 51.0440 21.9733 175.4491 27 T 4.7253 7.9301 109.2736 60.3474 71.9239 172.8571 28 T 4.9293 8.2772 111.3133 59.9788 72.8794 174.2309 29 G 4.0870 8.5207 112.9699 44.7763 0.0000 174.8560 30 A 4.1540 8.9882 124.7336 54.4223 18.7632 177.6437 31 E 4.6087 7.9496 114.5007 55.3483 31.3260 174.4755 32 Y 5.1107 7.0444 117.9481 56.5615 40.8920 173.1026 33 A 4.3724 8.0282 119.9573 51.5119 21.5634 175.8406 34 A 4.3252 8.4395 122.6826 52.0010 19.4147 177.1915 35 H 4.8122 8.6037 117.1834 54.0439 31.4242 173.1868 36 E 4.6842 8.5345 122.7943 54.3099 33.3580 175.0350 37 V 4.1791 8.0629 120.2021 61.1280 33.7282 175.3290 38 L 4.5132 8.2817 125.9427 55.8133 43.0005 176.5865 39 S 4.7568 7.6086 109.6927 57.3400 65.2442 173.8656 40 W 5.5394 8.5660 131.1260 56.4005 33.5150 174.0174 41 S 4.7727 8.9585 119.1441 56.6007 65.6385 172.9696 42 F 4.8051 8.2752 122.6702 57.0700 42.2946 173.1353 43 H 4.6509 7.2882 125.5276 54.3581 32.7852 172.4494 44 S 4.4438 7.8297 119.4117 56.3583 65.9888 173.0582 45 E 4.3354 8.3890 121.6951 54.6122 31.8762 174.0503 46 L 4.5320 8.4418 128.3085 53.5561 43.1895 175.9691 47 S 4.2803 8.5896 121.8545 59.6042 63.6021 174.5946 *48 G 3.7274 7.9403 114.2190 45.7098 0.0000 172.6780 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 V 8.05 4.05 2.06 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 0.97 0.00 0.00 0.93 0.00 0.00 2 T 8.48 4.30 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 1.04 0.00 0.00 3 S 9.06 4.85 0.00 3.71 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 4 Y 8.38 4.78 0.00 2.93 2.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 T 8.45 4.81 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 1.23 0.00 0.00 6 L 8.21 4.75 0.00 1.59 1.55 0.94 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 7 S 8.24 4.73 0.00 3.84 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 8 D 8.16 4.49 0.00 2.60 2.50 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.18 4.08 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 0.83 0.00 0.00 0.93 0.00 0.00 10 V 8.13 4.30 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 0.87 0.00 0.00 0.94 0.00 0.00 11 S 8.41 4.45 0.00 3.89 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 12 L 8.37 3.92 0.00 1.79 1.67 0.93 0.69 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 K 8.05 3.84 0.00 1.77 1.82 0.00 1.80 0.00 0.00 1.68 0.00 0.00 3.05 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.41 1.52 7.81 14 D 7.92 4.64 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 15 V 7.49 4.13 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 0.84 0.00 0.00 0.99 0.00 0.00 16 V 7.52 4.39 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 0.78 0.00 0.00 0.97 0.00 0.00 17 P 0.00 4.56 0.00 2.40 2.12 0.00 3.80 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 1.99 0.00 18 E 8.81 3.91 0.00 1.90 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 1.74 2.04 0.00 19 W 8.07 4.74 0.00 3.30 3.09 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 20 V 8.30 4.67 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 0.80 0.00 0.00 0.94 0.00 0.00 21 R 8.39 4.70 0.00 1.76 1.79 0.00 3.16 0.00 0.00 3.27 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.58 0.00 22 I 7.73 4.45 1.78 0.00 0.00 -0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.57 0.71 0.00 0.00 23 G 7.14 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 0.00 0.00 0.00 24 F 8.29 4.99 0.00 2.82 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 25 S 8.40 4.74 0.00 3.90 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 26 A 8.19 4.62 0.95 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 0.00 0.00 27 T 7.93 4.73 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 1.20 0.00 0.00 28 T 8.28 4.93 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 1.37 0.00 0.00 29 G 8.52 4.09 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 0.00 30 A 8.99 4.15 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 31 E 7.95 4.61 0.00 2.02 1.76 0.00 0.00 0.00 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 2.27 0.00 32 Y 7.04 5.11 0.00 3.05 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 33 A 8.03 4.37 1.10 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 0.00 0.00 34 A 8.44 4.33 1.24 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 0.00 0.00 0.00 35 H 8.60 4.81 0.00 3.04 3.15 0.00 5.65 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 E 8.53 4.68 0.00 1.84 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 2.17 2.23 0.00 37 V 8.06 4.18 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 0.47 0.00 0.00 -0.06 0.00 0.00 38 L 8.28 4.51 0.00 1.66 1.70 0.91 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 39 S 7.61 4.76 0.00 4.02 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 40 W 8.57 5.54 0.00 3.34 3.20 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 41 S 8.96 4.77 0.00 3.98 3.83 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 42 F 8.28 4.81 0.00 2.70 2.64 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 43 H 7.29 4.65 0.00 2.97 2.90 0.00 5.72 0.00 0.00 0.00 0.00 6.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 S 7.83 4.44 0.00 3.93 3.74 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 45 E 8.39 4.34 0.00 1.86 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 0.00 2.16 2.26 0.00 46 L 8.44 4.53 0.00 1.50 1.46 0.83 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 47 S 8.59 4.28 0.00 3.88 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 *48 G 7.94 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 * Residues marked with a * may have inaccurate shift predictions.