NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 K 4.3507 8.2148 119.3952 56.1559 33.9026 175.3598 3 I 3.5733 8.2868 122.3818 59.3566 37.5456 173.4141 4 P 4.5820 0.0000 0.0000 62.6462 33.6930 174.7172 5 I 4.8750 8.3834 123.7230 59.8142 39.2618 174.6043 6 E 4.6219 9.6402 126.4479 54.7582 31.9167 174.7683 7 E 4.8804 9.0696 126.4309 54.3041 30.1370 173.3506 8 L 4.7710 8.6673 125.0385 53.3485 45.2912 177.2401 9 E 3.7914 9.0828 124.8277 57.8057 28.0934 174.7160 10 D 4.9707 9.1554 127.7806 53.8709 40.9901 175.1081 11 R 4.9202 8.2735 118.3527 54.6193 33.9499 174.7262 12 V 4.6848 7.6422 119.6553 61.1878 34.3295 174.3810 13 F 5.2444 9.4335 125.9396 55.6776 43.1947 173.8895 14 V 4.4659 8.6457 122.4394 61.3661 33.3023 173.8927 15 N 5.1936 8.8057 126.9382 52.2352 40.4260 172.7988 16 C 5.0717 8.4491 123.0052 55.2665 43.2615 174.6815 17 N 4.4484 8.9495 117.5333 56.6558 38.4860 175.9018 18 T 4.4675 7.9359 110.3773 64.4186 70.7801 174.3549 19 S 4.8397 7.6086 114.0685 56.5846 67.0512 171.7875 20 I 5.0619 8.4100 120.5027 59.5915 40.6640 174.4142 21 T 4.7670 9.0792 125.9169 61.2708 71.2516 173.2867 22 W 4.6045 9.1781 135.0000 57.8553 31.0547 174.8077 23 V 3.8559 7.1641 126.1065 63.6284 32.8558 174.8602 24 E 3.2881 6.5325 115.2839 56.4058 32.3390 175.6228 25 G 3.6920 8.7879 106.6906 44.9026 0.0000 172.7081 26 T 3.9342 8.6782 117.3088 64.5477 68.9498 174.2578 27 V 3.4743 8.7024 126.6160 64.0474 32.1304 177.2609 28 G 3.8792 7.9567 107.1739 44.9823 0.0000 171.4743 29 T 4.5763 8.1465 115.1681 61.4526 72.0244 173.3915 30 L 4.3205 8.7082 129.2352 54.9035 43.1272 177.1969 31 L 4.7078 8.9277 128.4008 52.5370 40.7355 176.9795 32 S 4.1584 8.3789 117.6139 61.3945 63.4560 177.7153 33 D 4.3446 8.2157 119.7743 56.5314 40.6787 176.9347 34 I 4.1591 7.7386 109.7305 59.7008 38.3865 175.9914 35 T 3.5259 7.5770 109.2578 62.8958 67.7946 171.0105 36 R 5.0424 8.1930 121.6022 55.1426 36.0042 175.2169 37 L 5.0112 8.7797 123.5382 53.3356 44.7407 174.9330 38 D 4.5185 9.1899 127.9441 53.5646 41.5392 176.3239 39 L 4.1156 8.4481 126.4081 55.1574 42.6145 177.8917 40 G 3.6588 8.1565 107.0763 43.8032 0.0000 172.8086 41 K 4.3245 8.1523 117.2222 56.2359 32.8173 178.3220 42 R 3.4976 8.8419 124.3746 59.2063 30.1108 178.6867 43 I 3.8170 7.6083 109.6716 63.1849 37.5929 176.1877 44 L 4.3158 7.6859 120.2300 53.9181 41.8915 176.6684 45 D 4.4500 7.9810 118.1329 54.7792 38.7094 171.6610 46 P 4.5440 0.0000 0.0000 63.2848 33.4857 177.4984 47 R 5.5516 7.9585 120.1205 55.0541 35.2535 174.8546 48 G 4.0804 7.8529 108.4685 46.4069 0.0000 171.0543 49 I 4.9190 7.1821 119.8298 59.5082 40.5868 174.9138 50 Y 5.1997 8.8323 122.8151 56.2641 42.8180 173.9699 51 R 4.8371 9.2401 123.0821 54.8248 33.2824 173.6543 52 C 5.1815 9.4133 124.0208 55.6900 42.1947 172.6944 53 N 4.9437 8.7056 123.2820 51.8624 38.2179 174.7335 *62 E 4.2739 8.4923 121.2357 56.4144 30.7726 174.8356 63 S 4.7325 8.5473 112.7388 57.6125 66.4248 172.8342 64 T 5.1360 8.4430 120.0249 61.6745 71.9774 173.7208 65 V 4.5092 9.1222 124.8250 59.9110 34.8682 174.0209 66 Q 4.8933 8.7542 125.1286 54.4907 30.5957 174.5654 67 V 4.2487 9.0730 127.7454 62.4196 33.4412 174.5289 68 H 4.6283 8.7082 126.8525 55.2504 31.7739 171.2875 69 Y 4.4783 8.4343 123.3439 56.2100 39.8608 177.1264 70 R 5.1420 8.1369 122.5749 55.6034 30.0423 174.2444 71 M 4.2670 9.8932 119.4411 54.5287 33.0530 176.6280 72 C 4.4533 8.0771 121.7244 60.2948 28.5393 172.7969 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 K 8.21 4.35 0.00 1.90 1.90 0.00 1.17 0.00 0.00 2.37 0.00 0.00 2.95 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.31 1.44 7.81 3 I 8.29 3.57 1.92 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.69 0.96 0.00 0.00 4 P 0.00 4.58 0.00 2.14 2.19 0.00 3.81 0.00 0.00 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.01 0.00 5 I 8.38 4.88 1.95 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.97 1.07 0.00 0.00 6 E 9.64 4.62 0.00 2.04 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 2.24 2.26 0.00 7 E 9.07 4.88 0.00 2.07 1.94 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 2.26 2.39 0.00 8 L 8.67 4.77 0.00 1.85 1.59 0.76 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 9 E 9.08 3.79 0.00 2.18 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 2.24 2.32 0.00 10 D 9.16 4.97 0.00 2.65 2.83 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 11 R 8.27 4.92 0.00 1.71 1.15 0.00 3.12 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 1.35 1.46 0.00 12 V 7.64 4.68 1.71 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 1.03 0.00 0.00 0.30 0.00 0.00 13 F 9.43 5.24 0.00 2.99 2.87 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 14 V 8.65 4.47 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 1.01 0.00 0.00 0.51 0.00 0.00 15 N 8.81 5.19 0.00 2.92 2.82 0.00 0.00 7.08 7.75 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 16 C 8.45 5.07 0.00 2.85 2.98 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 17 N 8.95 4.45 0.00 2.72 2.88 0.00 0.00 6.77 7.54 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 18 T 7.94 4.47 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 1.22 0.00 0.00 19 S 7.61 4.84 0.00 3.86 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 20 I 8.41 5.06 1.93 0.00 0.00 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 1.42 0.98 0.97 0.00 0.00 21 T 9.08 4.77 4.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 22 W 9.18 4.60 0.00 3.39 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 23 V 7.16 3.86 1.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.55 0.00 0.00 0.80 0.00 0.00 24 E 6.53 3.29 0.00 1.76 1.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.96 0.00 25 G 8.79 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 0.00 0.00 0.00 26 T 8.68 3.93 4.50 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 1.34 0.00 0.00 27 V 8.70 3.47 1.94 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 0.45 0.00 0.00 0.62 0.00 0.00 28 G 7.96 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 0.00 0.00 0.00 29 T 8.15 4.58 4.22 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 1.21 0.00 0.00 30 L 8.71 4.32 0.00 1.66 1.59 1.03 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 31 L 8.93 4.71 0.00 1.70 1.60 1.12 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 32 S 8.38 4.16 0.00 4.01 4.15 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.22 4.34 0.00 2.69 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 34 I 7.74 4.16 1.82 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.57 0.88 0.00 0.00 35 T 7.58 3.53 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 1.35 0.00 0.00 36 R 8.19 5.04 0.00 1.80 1.91 0.00 2.95 0.00 0.00 2.87 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.74 0.00 37 L 8.78 5.01 0.00 1.73 1.39 1.07 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 38 D 9.19 4.52 0.00 2.83 2.61 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.45 4.12 0.00 1.42 1.57 0.72 1.01 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 40 G 8.16 3.66 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 K 8.15 4.32 0.00 1.75 1.67 0.00 1.64 0.00 0.00 1.70 0.00 0.00 2.86 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.61 1.35 7.81 42 R 8.84 3.50 0.00 1.78 1.85 0.00 3.21 0.00 0.00 3.59 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.09 0.00 43 I 7.61 3.82 1.86 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 1.37 0.67 0.90 0.00 0.00 44 L 7.69 4.32 0.00 1.74 1.69 0.88 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 45 D 7.98 4.45 0.00 2.94 2.76 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 0.00 0.00 0.00 46 P 0.00 4.54 0.00 2.09 2.22 0.00 3.46 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 1.77 1.57 0.00 47 R 7.96 5.55 0.00 1.81 1.86 0.00 3.21 0.00 0.00 3.17 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.64 0.00 48 G 7.85 4.08 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 0.00 0.00 0.00 49 I 7.18 4.92 1.45 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.83 0.71 0.00 0.00 50 Y 8.83 5.20 0.00 2.91 2.87 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 51 R 9.24 4.84 0.00 1.81 1.76 0.00 3.08 0.00 0.00 3.16 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.80 0.00 52 C 9.41 5.18 0.00 2.89 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 53 N 8.71 4.94 0.00 2.65 2.81 0.00 0.00 7.06 7.82 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 *62 E 8.49 4.27 0.00 2.22 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 0.00 2.18 2.31 0.00 63 S 8.55 4.73 0.00 3.89 3.70 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 64 T 8.44 5.14 4.23 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 1.20 0.00 0.00 65 V 9.12 4.51 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.00 0.00 1.01 0.00 0.00 66 Q 8.75 4.89 0.00 2.03 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.57 6.86 0.00 0.00 0.00 0.00 0.00 2.27 2.43 0.00 67 V 9.07 4.25 2.42 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 1.26 0.00 0.00 1.18 0.00 0.00 68 H 8.71 4.63 0.00 3.12 3.13 0.00 5.94 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 69 Y 8.43 4.48 0.00 3.09 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 70 R 8.14 5.14 0.00 1.80 1.81 0.00 3.24 0.00 0.00 2.25 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.49 0.00 71 M 9.89 4.27 0.00 2.06 2.14 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.74 2.85 0.00 72 C 8.08 4.45 0.00 3.10 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 * Residues marked with a * may have inaccurate shift predictions.