NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 40 A 4.2987 8.2601 123.5905 51.6690 19.0436 176.5683 41 A 4.1834 8.4504 125.0802 51.5387 19.1328 174.6387 42 P 4.4855 0.0000 0.0000 62.2839 32.9406 174.9660 43 E 4.2873 8.4571 119.6276 56.2013 30.0166 177.1935 44 S 4.7982 8.3936 115.9168 58.8134 64.1636 172.9258 45 F 5.0853 8.6001 114.6812 56.0724 41.7338 173.1176 46 D 5.1152 8.7017 118.9802 53.6869 43.6689 173.8596 47 E 4.7874 9.3075 123.2557 55.5663 33.8947 173.8549 48 V 4.7431 8.3493 120.1801 61.5312 32.8849 174.1789 49 Y 4.6366 9.3450 129.5745 56.7841 40.9252 175.5800 50 K 3.5204 9.2930 128.1105 57.4803 29.6470 175.8209 51 G 3.9800 8.2543 104.0260 45.4848 0.0000 173.3955 52 R 4.6555 7.9648 118.6579 53.9860 33.6472 174.3744 53 R 4.8546 9.0976 122.4069 55.7364 31.3724 174.9713 54 I 5.1781 9.0306 120.8048 59.3512 40.4004 174.6653 55 Q 4.7298 9.1520 123.6546 54.0768 33.1333 174.4927 56 G 4.0367 7.7621 108.4378 44.6170 0.0000 171.5985 57 R 4.7890 7.7308 117.8288 53.6863 33.0292 173.0033 58 P 4.4942 0.0000 0.0000 62.8231 31.4854 174.2052 59 A 4.2295 8.0785 121.0555 53.6962 21.2563 177.4330 *71 G 4.0906 7.7069 97.3569 45.0362 0.0000 170.5150 72 Y 5.2283 8.1226 119.8522 55.8544 42.0506 173.8000 73 E 4.6598 8.6180 125.7616 54.4709 32.7331 175.0980 74 V 4.8149 7.8823 122.1458 61.0965 35.3625 174.0415 75 F 5.2571 9.3608 124.7053 55.6465 43.3861 173.9454 76 V 4.6958 8.9289 122.8580 61.3792 33.6609 175.3727 77 D 4.4668 10.2875 130.3903 55.4607 38.9277 175.1009 78 G 3.8684 8.5569 104.8589 45.3330 0.0000 173.6753 79 V 4.3237 7.7416 120.7109 60.5812 32.7181 174.9193 80 Q 3.9091 8.8318 128.6670 56.0662 29.4539 174.6038 81 L 4.6541 8.2987 127.6111 53.1311 43.9217 175.4135 82 H 4.3241 8.9133 126.8538 56.7826 30.7082 174.2930 83 V 5.0622 8.2288 117.5765 60.1438 35.9347 174.6505 84 M 4.8572 9.0505 120.8054 53.9107 36.7222 173.9894 85 R 3.6412 7.9597 121.8531 54.5840 31.7507 175.4675 86 N 4.6338 8.6643 123.3026 51.8455 40.1633 175.9380 87 A 3.9171 8.7061 124.1362 55.6522 18.3521 178.5354 88 D 4.5139 7.8884 111.7299 53.6648 39.5827 177.2169 89 G 3.8470 8.3704 110.1239 45.2292 0.0000 174.0388 90 S 4.7246 8.1584 114.9534 57.8300 65.0110 172.9904 91 W 5.5199 9.5044 119.1457 54.9538 33.3697 174.6822 92 I 5.1592 8.8388 114.7849 59.4723 41.4049 173.6540 93 S 5.4161 8.3312 116.4376 56.0646 66.1943 175.2357 94 V 3.8995 8.7598 119.0954 64.0705 31.1477 177.3826 95 V 4.2842 7.7430 113.0493 61.2185 31.9615 176.6864 96 S 4.6704 7.8753 114.7609 57.4485 63.1064 174.0895 97 H 4.3459 7.8966 116.3392 56.8900 29.5860 175.9382 *99 D 4.4006 7.6335 117.9794 53.3271 41.3003 171.6419 100 P 4.6237 0.0000 0.0000 62.0805 32.4712 176.4209 101 V 4.6160 8.6284 115.4825 58.6020 35.1305 175.2371 102 P 4.6503 0.0000 0.0000 65.3637 31.7564 176.8945 103 T 4.5683 7.3779 107.9432 58.3750 73.0817 172.7719 104 P 3.6521 0.0000 0.0000 65.3399 31.1551 178.9796 105 R 2.8364 7.2679 116.9022 58.8966 29.7593 178.2789 106 A 3.8177 7.8069 120.5354 54.9248 18.3134 179.5075 107 A 3.8895 7.9336 119.1612 55.0372 18.3958 179.7107 108 A 3.9690 8.2593 119.7194 55.5091 18.4417 180.1105 109 R 3.4022 8.1572 116.7410 59.1218 29.8683 179.1691 110 A 4.1375 8.1974 120.5428 54.9352 18.2302 179.6166 111 A 3.9312 8.0942 119.4028 55.3641 18.0122 179.8844 112 V 3.6160 8.0306 116.8629 66.3732 31.3560 177.8610 113 D 4.4716 8.4035 117.8013 57.5372 40.7871 178.1849 114 E 4.1057 8.2192 118.7475 59.2551 29.8714 178.5302 115 L 4.1308 8.4483 118.9413 55.2292 41.8689 177.0275 116 Q 3.4121 8.8718 115.7892 56.7850 26.7855 174.8728 117 G 3.9336 8.4431 105.0343 45.0763 0.0000 174.2292 118 A 4.1717 7.7011 123.3176 51.0085 18.9630 175.8427 119 P 4.4056 0.0000 0.0000 62.4980 32.0680 176.5951 120 L 4.2830 8.2984 121.7306 54.5842 42.4246 176.4617 121 L 4.6064 8.0869 121.2731 52.5208 43.2892 175.1705 122 P 4.4382 0.0000 0.0000 63.1729 31.2297 176.2781 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 40 A 8.26 4.30 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 41 A 8.45 4.18 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 42 P 0.00 4.49 0.00 1.67 1.82 0.00 3.80 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 2.16 0.00 43 E 8.46 4.29 0.00 2.03 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 2.36 2.28 0.00 44 S 8.39 4.80 0.00 3.92 3.84 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 45 F 8.60 5.09 0.00 3.11 3.10 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 0.00 0.00 0.00 0.00 46 D 8.70 5.12 0.00 2.60 2.57 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 0.00 0.00 0.00 0.00 47 E 9.31 4.79 0.00 2.14 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 0.00 2.37 2.40 0.00 48 V 8.35 4.74 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 0.81 0.00 0.00 0.96 0.00 0.00 49 Y 9.35 4.64 0.00 3.20 2.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 K 9.29 3.52 0.00 1.49 1.60 0.00 1.55 0.00 0.00 1.53 0.00 0.00 2.77 0.00 0.00 2.81 0.00 0.00 0.00 0.00 0.99 0.37 7.81 51 G 8.25 3.98 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 0.00 0.00 0.00 52 R 7.96 4.66 0.00 2.00 1.96 0.00 3.15 0.00 0.00 3.15 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.72 0.00 53 R 9.10 4.85 0.00 1.92 1.84 0.00 3.03 0.00 0.00 3.23 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.61 0.00 54 I 9.03 5.18 2.16 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.90 1.05 0.00 0.00 55 Q 9.15 4.73 0.00 2.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.78 0.00 0.00 0.00 0.00 0.00 2.17 2.24 0.00 56 G 7.76 4.04 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 0.00 0.00 0.00 57 R 7.73 4.79 0.00 1.66 1.78 0.00 2.71 0.00 0.00 3.18 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.41 0.00 58 P 0.00 4.49 0.00 2.24 2.22 0.00 3.61 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.99 0.00 59 A 8.08 4.23 1.22 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 0.00 0.00 *71 G 7.71 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 72 Y 8.12 5.23 0.00 3.16 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 73 E 8.62 4.66 0.00 1.77 1.40 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 2.28 2.14 0.00 74 V 7.88 4.81 2.06 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 1.00 0.00 0.00 1.09 0.00 0.00 75 F 9.36 5.26 0.00 2.91 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 76 V 8.93 4.70 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 1.05 0.00 0.00 1.00 0.00 0.00 77 D 10.29 4.47 0.00 2.80 2.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 G 8.56 3.87 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 0.00 0.00 0.00 79 V 7.74 4.32 2.23 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 1.10 0.00 0.00 1.03 0.00 0.00 80 Q 8.83 3.91 0.00 1.98 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.50 0.00 0.00 0.00 0.00 0.00 2.05 1.64 0.00 81 L 8.30 4.65 0.00 1.60 1.49 0.96 1.10 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 82 H 8.91 4.32 0.00 3.32 3.21 0.00 5.86 0.00 0.00 0.00 0.00 6.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 V 8.23 5.06 2.39 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 0.89 0.00 0.00 1.10 0.00 0.00 84 M 9.05 4.86 0.00 1.82 1.82 0.00 0.00 0.00 0.00 0.00 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.47 0.00 85 R 7.96 3.64 0.00 0.67 1.09 0.00 2.90 0.00 0.00 2.90 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.50 0.00 86 N 8.66 4.63 0.00 2.62 2.59 0.00 0.00 6.66 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 87 A 8.71 3.92 1.23 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 88 D 7.89 4.51 0.00 2.76 2.74 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 89 G 8.37 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 0.00 0.00 0.00 90 S 8.16 4.72 0.00 4.07 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 91 W 9.50 5.52 0.00 3.26 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 92 I 8.84 5.16 1.99 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 1.13 0.77 0.94 0.00 0.00 93 S 8.33 5.42 0.00 4.04 4.03 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 94 V 8.76 3.90 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 0.77 0.00 0.00 0.95 0.00 0.00 95 V 7.74 4.28 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 0.76 0.00 0.00 0.97 0.00 0.00 96 S 7.88 4.67 0.00 3.94 3.87 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 97 H 7.90 4.35 0.00 3.19 3.31 0.00 5.76 0.00 0.00 0.00 0.00 8.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *99 D 7.63 4.40 0.00 2.70 2.65 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 0.00 100 P 0.00 4.62 0.00 2.07 1.95 0.00 3.67 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.09 0.00 101 V 8.63 4.62 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 0.75 0.00 0.00 0.99 0.00 0.00 102 P 0.00 4.65 0.00 2.17 2.19 0.00 3.70 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.93 0.00 103 T 7.38 4.57 3.96 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 0.00 0.00 1.13 0.00 0.00 104 P 0.00 3.65 0.00 1.86 1.00 0.00 2.98 0.00 0.00 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.44 0.00 105 R 7.27 2.84 0.00 0.67 1.29 0.00 2.88 0.00 0.00 3.05 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.73 0.00 106 A 7.81 3.82 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 0.00 107 A 7.93 3.89 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 0.00 108 A 8.26 3.97 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 0.00 109 R 8.16 3.40 0.00 1.53 1.04 0.00 2.72 0.00 0.00 2.50 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.27 0.00 110 A 8.20 4.14 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 0.00 111 A 8.09 3.93 1.44 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 0.00 0.00 0.00 112 V 8.03 3.62 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 1.17 0.00 0.00 1.12 0.00 0.00 113 D 8.40 4.47 0.00 2.96 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 0.00 114 E 8.22 4.11 0.00 2.14 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 0.00 2.35 2.69 0.00 115 L 8.45 4.13 0.00 1.80 1.87 0.99 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 116 Q 8.87 3.41 0.00 2.21 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.47 0.00 0.00 0.00 0.00 0.00 2.32 2.43 0.00 117 G 8.44 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 0.00 118 A 7.70 4.17 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 119 P 0.00 4.41 0.00 2.07 2.02 0.00 3.69 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.13 0.00 120 L 8.30 4.28 0.00 1.67 1.63 0.95 1.00 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 0.00 121 L 8.09 4.61 0.00 1.64 1.59 0.93 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 122 P 0.00 4.44 0.00 2.05 2.01 0.00 3.72 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 2.05 2.13 0.00 * Residues marked with a * may have inaccurate shift predictions.