NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 E 4.2373 8.4449 121.4600 55.9120 30.3640 176.4302 4 L 3.0168 7.3917 119.2037 54.8616 41.9846 176.2608 5 F 3.1689 6.2060 120.8909 58.5927 37.3831 175.5733 6 S 4.7812 6.9011 113.6612 56.8425 65.8693 174.4573 7 V 3.8070 8.1685 120.9191 65.9274 31.2297 176.0184 8 P 4.2706 0.0000 0.0000 65.9937 30.8871 177.5487 9 Y 3.9178 7.6695 119.2665 60.7745 38.6725 178.2878 10 F 4.4334 8.2607 118.4706 60.3075 38.9688 177.9201 11 I 3.7069 8.0646 119.9120 64.2262 36.9172 177.9446 12 E 3.8262 8.0402 120.0586 59.5297 29.5315 178.7301 13 N 4.2472 7.8614 116.3546 55.8732 38.4311 177.5416 14 L 3.1516 7.8060 120.7133 57.5707 41.7330 179.6494 15 K 3.8745 7.8630 118.2989 59.5219 31.6900 179.4831 16 Q 3.9481 7.7412 117.5626 59.1484 28.6934 177.9539 17 H 4.3780 7.9665 118.2700 59.1916 29.9893 176.9224 18 I 3.8222 7.5933 120.7495 64.4247 36.9767 178.0037 19 E 4.1414 7.6282 115.8779 55.9479 29.7023 176.0648 *21 N 4.4569 7.6548 116.5628 53.8085 39.7216 173.9340 22 Q 4.6143 8.7106 121.9704 55.7190 29.9666 175.9187 23 S 4.7099 8.3299 110.4047 57.3692 64.6116 173.6279 24 E 4.6960 8.8718 121.2605 54.3704 32.1480 175.6407 25 D 4.6187 8.5311 122.4002 51.9982 40.4467 176.2282 26 K 3.7016 8.0319 118.1292 60.4587 32.6055 176.8552 27 I 3.7827 7.6406 119.5891 64.4198 38.6686 177.2677 28 H 4.4457 8.2690 116.3623 58.9895 28.7100 178.4348 29 A 4.6897 8.2450 120.1353 52.1691 17.6683 178.9511 *31 N 4.8492 8.3408 119.0383 55.0218 40.7899 177.3454 32 S 4.1993 8.3924 113.3845 61.4897 62.9942 175.9086 33 Y 4.0295 8.5889 123.5821 60.4832 38.5550 177.2167 34 Y 3.9800 8.4250 119.9459 60.7988 38.9130 177.9417 35 R 3.9614 8.3760 119.4990 59.6632 30.1141 178.3123 36 S 4.0432 8.0933 112.8445 61.2668 62.2384 176.4287 37 V 3.4397 7.6779 120.9870 65.9649 31.2755 178.1115 38 V 3.3906 7.5648 118.0761 65.9488 30.9895 177.8267 39 S 4.0225 7.7423 111.9349 61.6141 62.5422 176.0867 40 T 3.9708 7.5284 118.2995 66.7986 68.0457 176.5485 41 L 3.8441 8.1388 121.1956 57.9516 41.3864 179.7766 42 V 3.6328 7.7577 116.8652 65.2066 31.5780 177.3665 43 Q 4.3154 7.7787 116.0245 55.8200 28.8574 175.3851 44 D 4.3145 7.1446 120.3554 54.9927 41.2523 175.7262 45 Q 4.6911 8.6356 125.6616 55.4457 29.2123 176.1724 46 L 4.7021 8.3038 114.4874 55.4378 42.5882 175.8221 47 T 4.5389 7.6994 116.2545 61.6192 70.4209 175.1022 48 K 3.9827 8.4487 124.7621 56.7252 33.9018 177.7730 49 N 4.2096 8.9166 120.4470 56.6436 38.4936 177.4503 50 A 3.9720 7.9070 121.3714 55.2021 18.5366 179.7171 51 V 3.5086 7.6762 116.2736 65.8803 31.6675 178.1590 52 V 3.4126 7.8953 118.1099 66.0871 31.3318 177.9226 53 L 3.9298 7.8856 118.5750 57.7913 41.4649 179.5237 54 K 3.8868 8.0461 119.4323 59.4150 32.0568 179.1736 55 R 4.0205 7.8367 118.5647 59.3103 30.0256 179.0425 56 I 3.5488 7.7264 119.6153 64.2720 37.0169 178.5598 57 Q 4.0410 8.4226 119.4728 59.2178 28.4298 178.4812 58 H 4.6006 8.2881 117.3168 58.8690 28.7271 177.5278 59 L 3.4853 7.9505 122.1834 58.0760 41.6241 178.6123 60 D 4.5643 8.1391 117.9569 57.4178 41.1582 178.0894 61 E 4.0594 8.5590 119.0736 59.2015 29.3696 179.2070 62 A 4.0740 8.5641 121.2684 55.2087 18.5297 178.8222 63 Y 4.0150 8.4236 118.2702 61.2640 39.0119 178.2183 64 N 4.5105 8.8434 117.4848 56.3135 38.6241 177.6992 65 K 3.9726 8.0780 119.8442 59.5986 32.0400 179.7125 66 V 3.5785 7.8894 117.3712 65.5261 31.3909 177.7333 67 K 3.9421 7.7682 119.2471 59.1801 32.1992 178.6623 68 R 4.2266 7.7961 114.5007 57.9634 29.7694 176.6122 69 G 3.7119 7.9627 113.1355 45.6862 0.0000 173.3296 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 8.44 4.24 0.00 1.90 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 2.12 2.32 0.00 4 L 7.39 3.02 0.00 1.54 1.07 0.65 -0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 5 F 6.21 3.17 0.00 3.15 3.12 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 0.00 0.00 0.00 6 S 6.90 4.78 0.00 4.01 3.99 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 0.00 0.00 0.00 7 V 8.17 3.81 2.12 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 1.17 0.00 0.00 1.02 0.00 0.00 8 P 0.00 4.27 0.00 2.32 2.33 0.00 3.69 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 2.11 2.05 0.00 9 Y 7.67 3.92 0.00 3.03 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 10 F 8.26 4.43 0.00 3.32 3.16 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 0.00 0.00 0.00 0.00 11 I 8.06 3.71 2.05 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.03 0.90 0.00 0.00 12 E 8.04 3.83 0.00 2.08 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 2.22 2.27 0.00 13 N 7.86 4.25 0.00 2.65 2.85 0.00 0.00 7.10 6.27 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 14 L 7.81 3.15 0.00 1.80 1.54 1.02 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 15 K 7.86 3.87 0.00 1.89 1.80 0.00 1.62 0.00 0.00 1.60 0.00 0.00 2.90 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.39 1.59 7.81 16 Q 7.74 3.95 0.00 2.14 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.08 6.97 0.00 0.00 0.00 0.00 0.00 2.35 2.52 0.00 17 H 7.97 4.38 0.00 3.18 3.39 0.00 5.96 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 I 7.59 3.82 1.96 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.81 0.86 0.00 0.00 19 E 7.63 4.14 0.00 1.93 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 2.31 2.54 0.00 *21 N 7.65 4.46 0.00 2.66 2.65 0.00 0.00 7.01 7.08 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 22 Q 8.71 4.61 0.00 2.05 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.57 0.00 0.00 0.00 0.00 0.00 2.26 2.25 0.00 23 S 8.33 4.71 0.00 3.93 3.92 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 24 E 8.87 4.70 0.00 1.90 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 2.25 2.22 0.00 25 D 8.53 4.62 0.00 2.84 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 26 K 8.03 3.70 0.00 1.69 1.78 0.00 1.73 0.00 0.00 1.56 0.00 0.00 2.86 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.36 1.42 7.81 27 I 7.64 3.78 1.81 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.18 0.80 0.00 0.00 28 H 8.27 4.45 0.00 3.51 3.32 0.00 5.68 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 A 8.25 4.69 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 N 8.34 4.85 0.00 3.09 2.98 0.00 0.00 6.77 7.57 0.00 0.00 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 S 8.39 4.20 0.00 4.15 4.21 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 0.00 0.00 0.00 0.00 33 Y 8.59 4.03 0.00 3.15 3.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 Y 8.43 3.98 0.00 3.27 3.12 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 0.00 0.00 0.00 35 R 8.38 3.96 0.00 2.11 1.96 0.00 3.32 0.00 0.00 3.10 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.81 0.00 36 S 8.09 4.04 0.00 3.94 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 V 7.68 3.44 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 0.96 0.00 0.00 0.14 0.00 0.00 38 V 7.56 3.39 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 0.92 0.00 0.00 0.42 0.00 0.00 39 S 7.74 4.02 0.00 3.96 4.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.53 3.97 4.36 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 1.23 0.00 0.00 41 L 8.14 3.84 0.00 1.65 1.55 0.77 0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 42 V 7.76 3.63 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 0.79 0.00 0.00 0.88 0.00 0.00 43 Q 7.78 4.32 0.00 2.19 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.02 6.62 0.00 0.00 0.00 0.00 0.00 2.71 2.43 0.00 44 D 7.14 4.31 0.00 2.63 2.58 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 45 Q 8.64 4.69 0.00 2.04 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.61 0.00 0.00 0.00 0.00 0.00 2.45 2.24 0.00 46 L 8.30 4.70 0.00 1.67 1.68 0.92 0.67 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 47 T 7.70 4.54 4.18 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 0.00 0.00 0.00 1.16 0.00 0.00 48 K 8.45 3.98 0.00 1.78 1.72 0.00 1.68 0.00 0.00 1.81 0.00 0.00 2.94 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.52 1.53 7.81 49 N 8.92 4.21 0.00 2.71 2.86 0.00 0.00 7.00 7.18 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 50 A 7.91 3.97 1.30 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 0.00 0.00 0.00 51 V 7.68 3.51 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 0.92 0.00 0.00 52 V 7.90 3.41 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 0.91 0.00 0.00 0.94 0.00 0.00 53 L 7.89 3.93 0.00 1.82 1.67 0.89 0.63 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 54 K 8.05 3.89 0.00 1.85 1.94 0.00 1.44 0.00 0.00 1.56 0.00 0.00 2.97 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.32 1.60 7.81 55 R 7.84 4.02 0.00 1.94 1.90 0.00 2.85 0.00 0.00 2.25 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.80 0.00 56 I 7.73 3.55 1.91 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 1.32 0.89 0.77 0.00 0.00 57 Q 8.42 4.04 0.00 2.23 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.81 0.00 0.00 0.00 0.00 0.00 2.39 2.57 0.00 58 H 8.29 4.60 0.00 3.73 3.74 0.00 5.64 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 L 7.95 3.49 0.00 0.27 1.26 0.58 -0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 60 D 8.14 4.56 0.00 2.95 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 61 E 8.56 4.06 0.00 2.34 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.63 0.00 62 A 8.56 4.07 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 0.00 0.00 0.00 0.00 0.00 0.00 63 Y 8.42 4.01 0.00 3.35 3.34 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 64 N 8.84 4.51 0.00 2.87 2.95 0.00 0.00 7.14 7.38 0.00 0.00 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 K 8.08 3.97 0.00 2.03 1.87 0.00 1.72 0.00 0.00 1.61 0.00 0.00 2.94 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.49 1.69 7.81 66 V 7.89 3.58 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 0.69 0.00 0.00 0.99 0.00 0.00 67 K 7.77 3.94 0.00 1.43 1.81 0.00 1.65 0.00 0.00 1.82 0.00 0.00 3.06 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.39 1.31 7.81 68 R 7.80 4.23 0.00 2.04 2.04 0.00 3.12 0.00 0.00 3.24 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.64 0.00 69 G 7.96 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 * Residues marked with a * may have inaccurate shift predictions.