NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 G 3.9298 8.3549 109.7367 45.1440 0.0000 174.5027 3 K 3.9830 8.4115 118.1190 54.6031 33.9990 171.2521 4 V 4.4743 8.5969 121.9586 61.4438 35.5260 173.5473 5 Y 4.9758 8.8787 124.5281 56.2094 40.7660 174.7021 6 K 4.4930 8.1716 122.6451 54.5128 35.1830 174.7684 7 K 5.0250 8.4667 125.1554 54.6277 34.4609 175.6921 8 V 4.4570 8.6089 123.7503 61.0238 34.9585 173.7156 9 E 5.0357 8.8655 128.4126 55.0417 30.3987 174.7582 10 L 4.8610 9.0443 127.1881 52.8487 45.8156 176.0910 11 V 4.6137 8.3063 120.4710 61.1773 33.4051 174.9024 12 G 4.0860 8.7176 116.7735 45.7079 0.0000 171.5737 13 T 5.3466 8.2026 113.7531 60.1985 72.0511 173.0674 14 S 4.6780 8.8284 115.5194 57.9197 65.9199 175.2547 15 E 4.6856 9.0467 124.1054 57.5538 30.0904 177.3916 16 E 4.2528 8.2177 118.3359 57.3512 30.4822 176.2035 17 G 3.3963 7.1861 105.1415 44.1351 0.0000 173.5558 18 L 3.7604 7.2738 118.1542 57.8794 41.4628 179.4535 19 E 3.9110 8.0725 117.7395 59.5426 29.4138 179.2807 20 A 3.9334 7.8713 119.9183 54.7573 18.5597 179.4816 21 A 3.9117 7.7462 119.1638 55.3630 18.5035 179.8640 22 I 3.5088 7.6573 118.2810 64.7347 37.1051 178.7667 23 Q 3.9071 8.2141 118.6459 58.6586 28.4366 178.7961 24 A 3.9046 8.0383 121.6883 55.0256 18.4644 179.4816 25 A 3.8793 7.7148 118.7408 55.4636 18.5019 179.9706 26 L 3.8815 7.8436 117.2264 57.6756 41.3922 179.6017 27 A 3.9847 8.0007 120.4637 54.9477 18.2851 179.3787 28 R 3.9339 7.8873 116.7590 59.3304 30.1616 178.4570 29 A 3.8871 8.0103 120.6673 55.2330 16.9210 179.6292 30 R 3.9252 8.0264 116.9441 59.2773 29.8416 178.8698 31 K 4.2456 7.6277 117.4771 58.7485 32.0051 177.8198 32 T 4.3968 7.2240 113.3731 63.4782 71.0128 174.1724 33 L 4.4589 7.9546 120.1295 52.7878 43.5632 175.9418 34 R 4.5082 7.9068 120.0040 55.5439 33.0271 174.9329 35 H 4.1770 8.4628 113.4385 56.8139 26.1230 175.2014 36 L 4.5181 8.1386 118.8422 55.4347 42.1567 175.6353 37 D 5.2065 9.2396 122.4238 55.1930 43.0576 176.2361 38 W 5.5703 7.8647 113.3722 54.9957 32.0809 172.9607 39 F 5.4252 8.4905 114.1324 55.3535 41.1439 173.8109 40 E 4.7056 9.3942 118.9242 54.7262 33.3894 174.9242 41 V 4.2748 8.7002 125.2870 62.8651 31.7279 175.4847 42 K 4.5037 9.2022 128.6499 58.5195 33.0977 176.8168 43 E 4.7950 7.8665 115.1368 55.3599 32.9579 174.0077 44 I 4.9171 8.3629 121.3094 60.0002 39.6906 174.9153 45 R 4.7583 9.3181 126.5252 55.1692 34.6344 174.1651 46 G 4.3700 7.8212 106.4952 47.3074 0.0000 172.0339 47 T 4.8007 7.7752 109.7284 59.8794 71.9003 173.4218 48 I 4.7743 8.2530 122.5423 59.8055 39.8730 175.4642 49 G 4.3394 8.8186 115.9172 44.1050 0.0000 172.8017 50 E 3.8723 8.9422 117.2864 58.7810 29.5996 177.5755 51 A 4.6553 8.0040 119.6982 51.8649 20.5566 176.4770 52 G 4.0115 7.4174 107.5582 45.0888 0.0000 176.5936 53 V 3.7989 8.2295 124.4983 62.9641 31.8138 174.5327 54 K 4.3428 8.5732 128.0082 57.5854 33.7995 176.1219 55 E 4.7146 7.5752 120.1380 54.7132 33.0548 173.7510 56 Y 4.5574 9.3512 125.7303 57.9577 39.6982 174.9744 57 Q 4.8285 9.2348 121.9074 54.3629 32.4732 174.4803 58 V 4.5243 8.7120 126.2290 61.1640 32.9395 175.0244 59 V 4.3244 8.5724 129.7126 62.6418 32.8220 174.6747 60 L 5.1752 9.0191 129.1243 53.6771 45.9938 174.1510 61 E 5.0752 9.6359 125.9568 54.7709 31.9580 174.8801 62 V 4.5347 8.9618 125.1618 60.9785 34.1221 174.2450 63 G 3.2479 8.2253 115.9809 43.9379 0.0000 172.3058 64 F 5.6220 8.3208 118.8599 54.8829 41.9179 173.7486 65 R 4.0708 8.8735 122.1110 56.0937 30.4538 176.0631 66 L 4.3876 8.2583 127.1144 54.5167 42.3468 177.1239 67 E 4.1492 8.7554 122.3805 56.8730 30.8815 177.9055 68 E 3.5384 8.3798 122.0276 56.8042 28.5467 175.0164 *69 T 4.1630 8.4193 108.4884 61.3204 69.2274 169.8990 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 G 8.35 3.93 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 0.00 0.00 0.00 3 K 8.41 3.98 0.00 1.80 1.40 0.00 1.83 0.00 0.00 1.65 0.00 0.00 2.96 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.39 1.50 7.81 4 V 8.60 4.47 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 1.00 0.00 0.00 0.91 0.00 0.00 5 Y 8.88 4.98 0.00 3.02 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 6 K 8.17 4.49 0.00 1.46 0.74 0.00 1.59 0.00 0.00 1.75 0.00 0.00 2.89 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.17 1.27 7.81 7 K 8.47 5.02 0.00 1.65 1.66 0.00 2.07 0.00 0.00 1.74 0.00 0.00 2.93 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.13 1.35 7.81 8 V 8.61 4.46 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 0.97 0.00 0.00 1.10 0.00 0.00 9 E 8.87 5.04 0.00 2.03 1.86 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 2.23 2.45 0.00 10 L 9.04 4.86 0.00 1.54 1.48 0.87 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 11 V 8.31 4.61 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 0.81 0.00 0.00 0.94 0.00 0.00 12 G 8.72 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 13 T 8.20 5.35 4.35 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 1.22 0.00 0.00 14 S 8.83 4.68 0.00 3.90 3.90 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 0.00 0.00 0.00 15 E 9.05 4.69 0.00 2.03 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 2.42 2.34 0.00 16 E 8.22 4.25 0.00 1.98 2.00 0.00 0.00 0.00 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 2.40 0.00 17 G 7.19 3.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.27 3.76 0.00 1.54 1.63 0.87 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 19 E 8.07 3.91 0.00 1.99 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 2.39 2.43 0.00 20 A 7.87 3.93 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 21 A 7.75 3.91 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 I 7.66 3.51 1.87 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.56 0.39 0.00 0.00 23 Q 8.21 3.91 0.00 2.14 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.81 0.00 0.00 0.00 0.00 0.00 2.41 2.48 0.00 24 A 8.04 3.90 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 25 A 7.71 3.88 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 26 L 7.84 3.88 0.00 1.60 1.63 0.52 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 27 A 8.00 3.98 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 28 R 7.89 3.93 0.00 1.90 2.04 0.00 3.11 0.00 0.00 3.14 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.64 0.00 29 A 8.01 3.89 1.28 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 0.00 0.00 30 R 8.03 3.93 0.00 2.00 1.89 0.00 3.08 0.00 0.00 3.15 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.63 0.00 31 K 7.63 4.25 0.00 1.90 1.82 0.00 1.66 0.00 0.00 1.67 0.00 0.00 2.99 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.44 1.64 7.81 32 T 7.22 4.40 4.16 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 1.10 0.00 0.00 33 L 7.95 4.46 0.00 1.28 0.79 0.39 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 34 R 7.91 4.51 0.00 1.67 1.48 0.00 3.28 0.00 0.00 3.18 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.52 0.00 35 H 8.46 4.18 0.00 3.65 3.50 0.00 5.62 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 L 8.14 4.52 0.00 1.66 1.66 0.85 0.94 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 37 D 9.24 5.21 0.00 3.09 3.08 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 38 W 7.86 5.57 0.00 3.25 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 39 F 8.49 5.43 0.00 3.00 2.91 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 40 E 9.39 4.71 0.00 1.97 1.93 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 2.43 2.51 0.00 41 V 8.70 4.27 2.18 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 0.84 0.00 0.00 1.13 0.00 0.00 42 K 9.20 4.50 0.00 1.80 1.87 0.00 1.84 0.00 0.00 1.79 0.00 0.00 3.02 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.48 1.56 7.81 43 E 7.87 4.79 0.00 2.02 2.02 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 2.29 2.35 0.00 44 I 8.36 4.92 1.92 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 1.39 0.72 1.00 0.00 0.00 45 R 9.32 4.76 0.00 1.71 1.82 0.00 3.42 0.00 0.00 3.18 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.56 0.00 46 G 7.82 4.37 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 0.00 0.00 0.00 47 T 7.78 4.80 4.20 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 1.18 0.00 0.00 48 I 8.25 4.77 1.84 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 1.22 0.63 0.88 0.00 0.00 49 G 8.82 4.34 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 0.00 50 E 8.94 3.87 0.00 1.96 2.02 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 2.30 2.24 0.00 51 A 8.00 4.66 1.25 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 0.00 0.00 0.00 52 G 7.42 4.01 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 0.00 0.00 0.00 0.00 0.00 0.00 53 V 8.23 3.80 1.82 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 -0.40 0.00 0.00 0.73 0.00 0.00 54 K 8.57 4.34 0.00 1.82 1.82 0.00 1.78 0.00 0.00 1.59 0.00 0.00 2.84 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.32 1.32 7.81 55 E 7.58 4.71 0.00 2.10 1.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.29 0.00 56 Y 9.35 4.56 0.00 3.07 2.84 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 57 Q 9.23 4.83 0.00 2.08 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.79 0.00 0.00 0.00 0.00 0.00 2.27 2.28 0.00 58 V 8.71 4.52 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 0.94 0.00 0.00 0.96 0.00 0.00 59 V 8.57 4.32 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 0.94 0.00 0.00 0.95 0.00 0.00 60 L 9.02 5.18 0.00 1.91 1.53 1.00 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 61 E 9.64 5.08 0.00 1.95 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 2.25 2.25 0.00 62 V 8.96 4.53 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 0.95 0.00 0.00 0.90 0.00 0.00 63 G 8.23 3.25 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 0.00 0.00 0.00 0.00 64 F 8.32 5.62 0.00 3.35 3.03 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.87 4.07 0.00 1.97 1.89 0.00 3.07 0.00 0.00 3.18 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.80 0.00 66 L 8.26 4.39 0.00 1.60 1.55 0.86 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 67 E 8.76 4.15 0.00 2.00 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 2.37 2.41 0.00 68 E 8.38 3.54 0.00 2.09 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 2.17 2.35 0.00 *69 T 8.42 4.16 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 1.21 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.