NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 S 4.3967 8.3301 116.7947 58.7853 63.9805 172.3809 1 A 4.4453 8.2842 121.3477 52.1712 20.6006 177.1776 2 D 4.2561 7.9845 116.0032 57.4320 42.5623 176.3897 3 T 4.1493 8.0302 109.8374 64.9742 68.4624 175.8195 4 L 4.1015 8.0636 125.0621 58.6344 42.2222 179.2785 5 E 4.0738 7.8947 118.0835 61.1432 29.5094 181.4069 6 R 4.2381 8.2347 118.5751 58.8549 30.0653 179.1235 7 V 3.8944 7.8110 117.8020 65.8279 31.5267 178.2890 8 T 3.9744 8.2001 115.8033 66.2085 68.3124 176.5524 9 K 3.8888 8.1046 121.6310 59.8418 32.2251 178.9006 10 I 3.7631 7.5513 119.8491 64.2655 36.8539 178.6016 11 I 3.7199 7.8193 120.7470 64.3500 36.8430 178.2990 12 V 3.6371 7.7863 117.9238 66.3167 31.3847 177.2650 13 D 4.5561 7.9073 116.7983 57.6642 40.7942 179.1017 14 R 4.0678 7.7195 116.6081 59.4135 30.6084 177.5307 15 L 4.4806 8.4923 117.2448 53.4428 43.6281 176.9778 16 G 3.7114 9.0184 107.4738 49.5764 0.0000 174.2995 17 V 3.5750 6.9789 111.4566 58.9318 34.6795 175.5625 18 D 4.8876 9.0462 127.4053 54.4648 38.6697 178.7597 19 E 4.6557 9.1676 127.5936 56.9937 34.1701 173.9424 20 A 4.8165 7.8139 121.8328 51.5379 19.2136 176.7200 21 D 4.7256 7.6960 117.3392 54.9952 45.2662 177.3841 22 V 3.8555 7.7764 122.6157 61.9940 29.8266 174.4268 23 K 4.5633 7.5818 123.7133 52.7020 33.9563 179.2010 24 L 3.5816 8.1703 124.0429 56.9134 41.9581 179.0838 25 E 4.1518 7.9844 116.3562 57.6870 30.1636 176.5401 26 A 4.1473 8.7426 124.3218 52.1838 18.8893 176.9034 27 S 4.5381 9.3925 118.7198 58.0372 63.3182 174.9790 28 F 4.2125 8.6496 126.0297 60.8568 39.0789 178.2021 29 K 4.6236 8.1443 117.8247 59.3151 32.0081 178.6024 30 E 4.1143 8.0352 116.8062 59.4854 29.7613 177.9893 31 D 4.4924 7.9863 117.5473 56.3646 41.2404 177.6262 32 L 4.5111 7.9550 116.4261 53.8673 41.7822 176.2166 33 G 3.8858 8.0299 105.3348 46.5362 0.0000 173.7847 34 A 4.6969 7.7421 122.2637 50.4820 22.1546 176.3269 35 D 4.5838 8.7726 119.0176 53.5779 39.2385 178.6826 *37 L 4.2789 9.0233 120.0548 54.6202 44.3883 178.6189 38 D 4.3507 8.9033 119.2773 57.2660 40.6784 179.1006 39 V 3.5579 7.7544 119.6069 64.6184 31.5666 178.9357 40 V 3.7019 7.6489 112.6681 63.8979 31.3740 177.9655 41 E 3.8745 7.9736 118.9817 59.0133 29.4932 178.3125 42 L 3.8267 7.7999 120.4403 58.3757 41.9580 179.1959 43 V 3.4888 8.0576 118.2365 66.3554 31.5574 177.9507 44 M 4.1978 8.0250 118.3958 58.0051 31.6180 178.3459 45 E 3.8877 8.3122 119.7208 59.2546 29.7531 178.6855 46 L 4.2572 7.8300 118.8610 58.2171 41.7561 179.2818 47 E 4.1359 8.4303 118.4084 59.7061 29.2497 179.4534 48 D 4.3078 8.0294 118.1373 57.3437 40.9635 178.2577 49 E 4.0104 8.6529 118.0006 57.9370 29.4837 177.3412 50 F 4.7359 7.8440 115.9196 58.7423 41.2754 174.9361 51 D 4.3560 7.9431 115.9678 55.4196 39.0150 171.7153 52 M 4.8936 8.6425 120.2968 53.4991 35.1532 174.6726 53 E 4.6771 8.7313 119.1609 54.3469 31.4946 174.9356 54 I 4.3789 8.4438 127.5196 58.8523 38.5302 176.1643 55 S 4.3564 8.3521 120.9100 58.1265 64.8962 174.6302 56 D 4.2897 8.5882 121.7227 57.2515 40.1855 178.8762 57 E 3.8797 8.0364 119.4991 59.5481 29.8599 178.5407 58 D 4.3232 8.2095 118.3525 56.8017 40.5206 178.6634 59 A 3.8369 7.8282 121.4497 55.0925 18.4585 179.0273 60 E 3.9962 7.7835 116.2711 58.9492 29.6992 178.6778 61 K 4.1520 7.4369 119.5070 58.6870 33.7197 178.3860 62 I 4.1802 7.1226 113.1635 60.3555 34.4587 175.5236 63 A 4.2475 7.9206 128.3092 54.8783 19.5930 177.5380 64 T 4.6198 8.5939 105.8992 59.0618 73.1112 175.2345 65 V 3.5057 7.7017 120.2863 66.2390 31.3498 178.3291 66 G 3.6435 8.4350 105.6100 47.5541 0.0000 175.5079 67 D 4.3740 7.9594 120.7588 57.1927 40.6460 178.4991 68 A 4.0365 7.7575 119.5812 55.3647 18.6754 179.1938 69 V 3.6021 7.6293 116.0905 66.6238 31.2777 177.6111 70 N 4.3775 8.1449 114.9668 56.9550 38.5874 176.5368 71 Y 4.0220 8.1195 119.5662 59.8220 40.0528 177.1171 72 I 4.0121 7.5059 122.6381 58.7545 34.3866 175.8319 73 Q 4.2015 7.1719 122.1094 56.8209 29.6292 174.5876 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 0 S 8.33 4.40 0.00 3.99 3.94 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 1 A 8.28 4.45 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 D 7.98 4.26 0.00 2.84 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 3 T 8.03 4.15 4.17 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 1.25 0.00 0.00 4 L 8.06 4.10 0.00 1.81 1.87 0.95 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 5 E 7.89 4.07 0.00 2.03 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 2.24 2.22 0.00 6 R 8.23 4.24 0.00 2.25 1.97 0.00 3.06 0.00 0.00 2.97 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.82 0.00 7 V 7.81 3.89 2.33 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 1.19 0.00 0.00 1.19 0.00 0.00 8 T 8.20 3.97 4.28 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 1.30 0.00 0.00 9 K 8.10 3.89 0.00 1.91 1.98 0.00 1.63 0.00 0.00 1.63 0.00 0.00 2.92 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.44 1.50 7.81 10 I 7.55 3.76 2.07 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 1.51 0.61 0.93 0.00 0.00 11 I 7.82 3.72 2.11 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.25 1.05 0.00 0.00 12 V 7.79 3.64 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 0.94 0.00 0.00 1.07 0.00 0.00 13 D 7.91 4.56 0.00 2.90 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 14 R 7.72 4.07 0.00 1.97 1.97 0.00 3.45 0.00 0.00 3.19 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.88 0.00 15 L 8.49 4.48 0.00 1.65 1.68 1.15 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 16 G 9.02 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 17 V 6.98 3.57 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 0.78 0.00 0.00 0.97 0.00 0.00 18 D 9.05 4.89 0.00 2.75 1.92 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 19 E 9.17 4.66 0.00 1.88 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 2.21 2.26 0.00 20 A 7.81 4.82 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 21 D 7.70 4.73 0.00 2.61 2.63 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.78 3.86 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 0.77 0.00 0.00 0.96 0.00 0.00 23 K 7.58 4.56 0.00 1.71 1.66 0.00 1.88 0.00 0.00 1.82 0.00 0.00 2.81 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.36 1.00 7.81 24 L 8.17 3.58 0.00 1.73 1.71 0.91 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 25 E 7.98 4.15 0.00 1.89 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 2.27 2.33 0.00 26 A 8.74 4.15 1.15 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 0.00 0.00 27 S 9.39 4.54 0.00 3.77 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 28 F 8.65 4.21 0.00 3.17 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 29 K 8.14 4.62 0.00 1.79 1.91 0.00 1.83 0.00 0.00 2.39 0.00 0.00 2.98 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.51 1.52 7.81 30 E 8.04 4.11 0.00 1.95 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 2.32 2.33 0.00 31 D 7.99 4.49 0.00 2.77 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 32 L 7.95 4.51 0.00 1.85 1.73 0.88 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 33 G 8.03 3.89 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 34 A 7.74 4.70 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 35 D 8.77 4.58 0.00 2.90 2.33 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 *37 L 9.02 4.28 0.00 1.75 1.78 0.91 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 38 D 8.90 4.35 0.00 3.03 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 39 V 7.75 3.56 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 0.97 0.00 0.00 0.78 0.00 0.00 40 V 7.65 3.70 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 0.82 0.00 0.00 0.90 0.00 0.00 41 E 7.97 3.87 0.00 1.99 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 2.28 2.29 0.00 42 L 7.80 3.83 0.00 1.90 1.52 0.86 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 43 V 8.06 3.49 2.16 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 0.98 0.00 0.00 0.87 0.00 0.00 44 M 8.02 4.20 0.00 2.10 2.18 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 2.82 2.48 0.00 45 E 8.31 3.89 0.00 2.27 1.98 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 2.30 2.38 0.00 46 L 7.83 4.26 0.00 1.96 1.89 0.90 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 47 E 8.43 4.14 0.00 2.18 2.13 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 2.45 2.57 0.00 48 D 8.03 4.31 0.00 2.97 2.68 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 0.00 0.00 0.00 49 E 8.65 4.01 0.00 1.69 1.84 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 1.82 1.47 0.00 50 F 7.84 4.74 0.00 3.11 2.93 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 51 D 7.94 4.36 0.00 2.68 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 52 M 8.64 4.89 0.00 2.19 2.11 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.65 2.81 0.00 53 E 8.73 4.68 0.00 1.95 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 2.19 2.31 0.00 54 I 8.44 4.38 1.79 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.85 0.59 0.00 0.00 55 S 8.35 4.36 0.00 4.04 4.02 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 56 D 8.59 4.29 0.00 2.69 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 57 E 8.04 3.88 0.00 2.03 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 2.38 2.40 0.00 58 D 8.21 4.32 0.00 2.71 2.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 A 7.83 3.84 1.27 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 0.00 0.00 60 E 7.78 4.00 0.00 1.96 2.13 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 2.32 2.31 0.00 61 K 7.44 4.15 0.00 1.80 1.92 0.00 1.91 0.00 0.00 1.88 0.00 0.00 3.13 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.49 1.47 7.81 62 I 7.12 4.18 1.94 0.00 0.00 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.65 0.80 0.00 0.00 63 A 7.92 4.25 1.36 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 0.00 0.00 0.00 0.00 0.00 0.00 64 T 8.59 4.62 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 65 V 7.70 3.51 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 0.99 0.00 0.00 0.71 0.00 0.00 66 G 8.43 3.64 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 0.00 0.00 0.00 67 D 7.96 4.37 0.00 3.11 2.79 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 68 A 7.76 4.04 1.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 V 7.63 3.60 2.24 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 1.10 0.00 0.00 1.03 0.00 0.00 70 N 8.14 4.38 0.00 2.92 2.91 0.00 0.00 7.12 6.98 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 71 Y 8.12 4.02 0.00 3.04 3.15 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 72 I 7.51 4.01 1.72 0.00 0.00 0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.80 0.10 0.00 0.00 73 Q 7.17 4.20 0.00 2.14 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.65 0.00 0.00 0.00 0.00 0.00 2.08 2.12 0.00 * Residues marked with a * may have inaccurate shift predictions.