NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 A 4.6357 8.2649 123.6116 52.6069 19.2455 176.4311 3 Q 3.8159 8.4417 121.1907 57.8477 29.5305 176.5233 4 I 3.8530 5.8280 120.0170 60.0108 36.4088 175.1101 5 T 4.1254 7.7186 117.1962 63.9147 68.2303 175.9117 6 G 3.7939 8.2409 109.8260 48.3756 0.0000 173.5531 7 R 4.5437 7.7648 120.7934 53.5952 31.3101 175.7585 8 P 4.5498 0.0000 0.0000 65.2977 31.4765 178.2116 9 E 4.0782 8.2541 119.5467 59.0469 29.5699 178.2460 10 W 4.1187 8.1584 127.4618 60.4306 30.6442 178.1641 11 I 3.9717 8.0397 119.6193 64.0768 36.5811 178.0158 12 W 4.2538 8.6005 129.5929 60.1356 30.3887 177.9686 13 L 4.2039 8.2082 120.3399 58.2543 41.5316 178.7940 14 A 4.8897 8.0201 122.4537 54.6952 18.1187 179.3795 15 L 3.8170 8.1956 119.3351 58.0877 42.0507 179.4720 16 G 2.8881 7.4277 105.8690 47.8006 0.0000 175.8997 17 T 3.1578 5.7900 117.9619 65.7803 68.2114 176.8094 18 A 4.0174 7.8444 123.0119 54.7656 18.2829 179.5226 19 L 3.7726 7.7957 119.2671 58.6044 42.1231 179.1637 20 M 4.0744 8.1085 118.9999 58.2818 31.8387 179.0580 21 G 3.2327 8.3908 106.2041 47.3823 0.0000 175.6245 22 L 3.8798 8.1564 123.0936 57.8823 42.1849 179.3148 23 G 3.7396 8.2833 105.8734 48.2419 0.0000 175.8379 24 T 3.9546 8.1540 118.2794 65.9813 68.3448 176.6716 25 L 3.8757 7.8438 122.4268 58.4773 42.0740 178.7100 26 Y 4.1893 7.8715 116.6457 61.0783 37.6967 178.4218 27 F 4.1158 8.4416 121.6848 61.1415 39.3424 177.2878 28 L 3.9387 8.1499 118.8914 57.5926 41.4290 179.5356 29 V 3.5659 7.9768 118.3390 66.0059 31.4046 178.3187 30 K 4.1210 8.5485 118.7413 58.9705 31.6072 179.7517 31 G 3.8289 7.6830 105.7338 46.9664 0.0000 175.5034 32 M 4.3671 8.2015 120.5526 57.5647 32.0596 178.8509 33 G 3.5818 8.2838 105.9043 47.9145 0.0000 174.5037 34 V 2.8162 7.8884 118.0679 61.8970 33.8189 170.5289 *37 P 4.4372 0.0000 0.0000 63.3698 32.9002 177.6629 38 D 4.5898 7.8952 116.2142 55.6056 41.2220 177.7073 39 A 4.0936 7.9540 120.8654 55.1398 18.3414 179.5587 40 K 4.0431 7.7774 116.4072 59.5515 32.0408 179.7503 41 K 4.0698 8.0049 118.3721 59.4223 32.0669 178.9851 42 F 4.1100 8.6443 121.2181 61.5387 39.3418 176.5880 43 Y 4.0840 8.7054 119.1267 60.5114 38.6346 177.6063 44 A 4.0550 8.4739 121.8879 55.3238 18.1392 179.7113 45 I 3.6151 8.0619 118.6009 64.8615 36.9453 178.8576 46 T 3.5814 7.5736 115.4940 66.5148 68.2403 176.2288 47 T 2.0000 8.0698 116.3410 61.5761 69.0615 176.0099 48 L 4.5751 7.3196 120.1523 54.3997 42.1043 178.4713 49 V 3.3586 6.5164 120.3270 65.6045 31.3896 176.3734 50 P 4.3554 0.0000 0.0000 64.6636 31.3281 178.2176 51 A 3.9842 7.6545 120.6401 55.1840 18.3228 179.4977 52 I 3.7445 8.2234 118.6287 64.2894 37.1968 178.4525 53 A 3.9616 8.0288 121.7674 55.1324 18.0995 179.5180 54 F 4.1308 8.4937 119.2445 61.7374 39.3890 177.5350 55 T 3.8617 8.1581 115.4715 66.9443 67.8764 176.5992 56 M 4.0670 8.2867 122.2242 57.9537 31.9374 178.2024 57 Y 3.9605 8.1386 119.6485 60.0808 38.7916 177.5099 58 L 3.6461 7.9070 122.2404 57.7378 41.6933 178.9016 59 S 3.4894 8.2331 114.3822 60.8654 62.2469 175.8985 60 M 3.9513 7.3694 121.1525 57.6120 32.1521 177.4202 61 L 3.4322 7.3456 119.6084 58.3573 42.2454 178.7844 62 L 4.2744 8.1287 118.5820 55.4586 41.2350 177.3387 63 G 4.0592 7.8800 106.9711 46.9253 0.0000 174.2333 64 Y 4.6663 8.0677 116.4369 56.5420 39.8459 176.3658 65 G 3.5455 7.1185 106.1447 44.5947 0.0000 171.6844 66 L 4.7138 7.2444 118.2874 55.8849 44.2254 178.5736 67 T 3.7765 7.8245 113.7227 66.9425 68.8087 176.0616 68 M 4.2200 7.4975 117.1185 57.8502 32.2199 177.0044 69 V 4.3384 7.0696 111.7578 59.5453 35.8202 174.7722 *70 P 4.1754 0.0000 0.0000 62.4397 31.2986 177.3724 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 2 A 8.26 4.64 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 3 Q 8.44 3.82 0.00 1.68 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 7.26 0.00 0.00 0.00 0.00 0.00 2.44 2.43 0.00 4 I 5.83 3.85 0.56 0.00 0.00 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 -0.21 -0.29 0.64 0.00 0.00 5 T 7.72 4.13 4.26 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 1.20 0.00 0.00 6 G 8.24 3.79 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 0.00 7 R 7.76 4.54 0.00 1.99 1.99 0.00 3.19 0.00 0.00 3.40 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.70 0.00 8 P 0.00 4.55 0.00 2.32 2.37 0.00 3.75 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.05 0.00 9 E 8.25 4.08 0.00 2.14 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.49 0.00 10 W 8.16 4.12 0.00 3.49 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 11 I 8.04 3.97 2.24 0.00 0.00 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 2.14 1.01 1.08 0.00 0.00 12 W 8.60 4.25 0.00 3.46 3.27 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 13 L 8.21 4.20 0.00 1.93 1.30 0.75 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 14 A 8.02 4.89 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 15 L 8.20 3.82 0.00 1.72 1.47 0.93 0.75 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 16 G 7.43 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 0.00 0.00 0.00 17 T 5.79 3.16 4.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 18 A 7.84 4.02 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.80 3.77 0.00 1.58 1.56 0.81 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 20 M 8.11 4.07 0.00 2.20 2.21 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.62 0.00 21 G 8.39 3.23 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 0.00 22 L 8.16 3.88 0.00 1.74 1.80 0.64 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 23 G 8.28 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 0.00 0.00 0.00 24 T 8.15 3.95 4.32 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 1.29 0.00 0.00 25 L 7.84 3.88 0.00 1.60 1.51 0.74 0.40 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 Y 7.87 4.19 0.00 3.28 2.92 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 27 F 8.44 4.12 0.00 3.23 3.28 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 28 L 8.15 3.94 0.00 1.90 1.69 0.97 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 29 V 7.98 3.57 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 1.07 0.00 0.00 0.93 0.00 0.00 30 K 8.55 4.12 0.00 1.78 1.77 0.00 1.75 0.00 0.00 1.64 0.00 0.00 2.89 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.46 1.60 7.81 31 G 7.68 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 0.00 0.00 0.00 32 M 8.20 4.37 0.00 1.98 2.12 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.77 2.56 0.00 33 G 8.28 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.89 2.82 2.21 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 0.75 0.00 0.00 0.89 0.00 0.00 *37 P 0.00 4.44 0.00 2.28 2.39 0.00 3.68 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.96 0.00 38 D 7.90 4.59 0.00 2.83 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 39 A 7.95 4.09 1.34 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 40 K 7.78 4.04 0.00 2.12 1.93 0.00 1.68 0.00 0.00 1.64 0.00 0.00 2.94 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.45 1.49 7.81 41 K 8.00 4.07 0.00 2.04 1.93 0.00 1.72 0.00 0.00 1.78 0.00 0.00 2.92 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.59 1.56 7.81 42 F 8.64 4.11 0.00 3.24 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 43 Y 8.71 4.08 0.00 3.34 3.27 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 44 A 8.47 4.06 1.50 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 0.00 0.00 45 I 8.06 3.62 1.85 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.38 0.78 0.00 0.00 46 T 7.57 3.58 4.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 47 T 8.07 2.00 4.83 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 0.69 0.00 0.00 48 L 7.32 4.58 0.00 1.88 1.61 1.07 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 49 V 6.52 3.36 1.66 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 0.83 0.00 0.00 0.71 0.00 0.00 50 P 0.00 4.36 0.00 2.45 2.10 0.00 3.61 0.00 0.00 3.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.76 0.00 51 A 7.65 3.98 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.22 3.74 1.87 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 1.45 0.70 0.89 0.00 0.00 53 A 8.03 3.96 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.49 4.13 0.00 3.18 3.28 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 55 T 8.16 3.86 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 1.29 0.00 0.00 56 M 8.29 4.07 0.00 2.02 2.25 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.72 2.36 0.00 57 Y 8.14 3.96 0.00 2.99 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 58 L 7.91 3.65 0.00 1.17 1.46 0.68 0.85 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 59 S 8.23 3.49 0.00 3.44 3.79 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 60 M 7.37 3.95 0.00 1.87 1.95 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.41 0.00 61 L 7.35 3.43 0.00 0.57 1.15 -1.10 0.35 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 62 L 8.13 4.27 0.00 1.97 1.86 0.95 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 63 G 7.88 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 64 Y 8.07 4.67 0.00 3.03 3.06 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 65 G 7.12 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.24 4.71 0.00 1.46 1.48 0.87 0.91 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 67 T 7.82 3.78 4.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 68 M 7.50 4.22 0.00 2.00 2.27 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.85 2.53 0.00 69 V 7.07 4.34 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 0.84 0.00 0.00 0.87 0.00 0.00 *70 P 0.00 4.18 0.00 1.81 1.83 0.00 3.62 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 1.82 2.07 0.00 * Residues marked with a * may have inaccurate shift predictions.