NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.7275 8.1633 120.6298 55.3716 34.2353 173.7917 2 W 5.0698 9.4874 123.5041 53.1175 32.4455 169.8877 3 V 4.7864 9.5305 122.8797 60.0769 34.4855 173.5354 4 Y 4.3897 9.0238 125.2604 56.0606 40.3928 174.2456 5 R 4.5200 8.2654 127.1094 54.4845 32.3227 175.5274 6 L 4.7061 8.4052 123.7494 52.1348 45.1061 176.0296 7 K 4.2399 8.6141 125.4832 56.5538 32.6954 175.4942 8 G 4.1920 8.1242 113.1814 43.7401 0.0000 173.4624 9 T 4.4807 8.0121 111.0683 60.0672 71.7504 175.6643 10 L 4.0373 8.9767 122.1312 57.9697 41.8387 179.5716 11 E 4.0964 8.1975 117.6688 59.5637 29.3349 179.0797 12 A 4.0408 7.9184 119.2387 54.7107 18.7685 178.6681 13 L 4.3532 7.9464 115.1296 54.5099 41.9582 177.8997 14 D 4.4286 7.7837 120.6059 57.3989 40.9043 177.0307 15 P 4.3338 0.0000 0.0000 64.9127 31.4939 177.5527 16 I 4.2388 7.7136 109.8970 61.1602 38.1223 177.7222 17 L 4.0539 7.8483 122.1917 57.6955 41.4835 177.2209 18 P 4.5978 0.0000 0.0000 65.7416 31.2885 178.7970 19 G 3.8568 8.2695 103.9769 47.7540 0.0000 175.6285 20 L 4.2445 7.8385 121.3138 57.8022 41.6452 179.5619 21 F 4.0955 8.2072 117.3688 60.7068 38.6447 177.4521 22 D 4.6043 8.6809 118.1065 57.2137 40.7261 178.4483 23 G 4.0240 8.0645 103.9793 44.7973 0.0000 173.8437 24 G 4.1527 8.0503 108.3813 45.0807 0.0000 174.3521 25 A 3.0239 7.7079 123.4552 51.9863 18.5969 178.3228 26 R 4.3464 8.6186 121.1317 57.2198 31.2482 176.8417 27 G 4.3065 6.9204 103.3766 45.9624 0.0000 172.1326 28 L 5.7432 8.8999 119.8383 52.5665 45.2268 176.1198 29 W 5.2308 9.4764 131.7240 55.7738 33.9548 173.4702 30 E 4.7761 9.3103 128.9803 55.7257 30.3093 175.9604 31 R 4.0323 9.0265 125.9634 55.2027 33.0372 174.6640 32 E 3.5858 9.7261 121.1336 57.2138 26.5787 175.8192 33 G 3.9828 8.3034 106.2707 45.2368 0.0000 170.4229 34 E 5.2150 7.9966 117.6182 54.4559 34.5533 174.4081 35 V 4.8249 8.9317 122.1781 61.1796 34.0392 174.3544 36 W 5.0657 9.6194 128.4836 55.2709 30.9920 174.8354 37 A 5.1706 8.9379 127.7502 50.3184 20.9824 175.1337 38 F 5.2756 9.1200 122.1482 56.3569 41.0174 175.2681 39 F 5.2089 9.6974 121.9689 55.0898 42.5710 174.5499 40 P 4.4573 0.0000 0.0000 65.5264 31.4702 176.3836 41 A 4.5392 7.6334 117.4772 49.7406 22.0089 173.8009 42 P 2.9700 0.0000 0.0000 62.1544 31.5415 176.3779 43 V 4.1459 6.4849 112.5712 59.0512 35.6167 174.9240 44 D 4.3869 8.3753 120.7196 54.2843 40.8251 175.3961 45 L 4.7032 8.0355 125.8522 52.4739 45.4619 174.8148 46 P 4.4608 0.0000 0.0000 63.2641 30.3658 176.0714 47 Y 4.5236 7.3410 116.6851 58.1060 38.2990 175.5208 48 E 3.8326 8.3682 118.0533 57.1525 27.0141 174.6110 49 G 2.8848 7.2007 103.7095 45.7758 0.0000 173.6563 50 V 4.2507 7.6284 119.8411 60.8026 33.2560 174.6271 51 W 5.3603 8.7148 128.0732 56.1692 30.2572 175.4511 52 E 4.7405 9.6346 125.2017 54.5283 32.8468 173.5974 53 E 3.5853 8.0746 127.6423 55.3485 30.4331 175.7453 54 V 4.5162 8.2541 119.5800 59.4540 35.0118 175.9693 55 G 3.9890 8.6659 112.5334 44.6597 0.0000 173.6909 56 D 4.5650 8.7540 122.4008 57.6367 41.0903 178.1605 *57 E 4.5167 7.7343 113.7472 54.3275 33.5783 177.5315 *59 W 4.8331 8.6231 120.4672 55.8336 28.4984 175.1041 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 1 M 8.16 4.73 0.00 2.40 2.20 0.00 0.00 0.00 0.00 0.00 0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3.11 3.12 0.00 2 W 9.49 5.07 0.00 3.62 3.45 0.00 0.00 0.00 0.00 0.00 0.00 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 V 9.53 4.79 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 0.29 0.00 0.00 0.23 0.00 0.00 4 Y 9.02 4.39 0.00 2.10 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 5 R 8.27 4.52 0.00 1.28 1.60 0.00 2.21 0.00 0.00 2.62 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.74 0.00 6 L 8.41 4.71 0.00 1.43 1.38 0.92 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 7 K 8.61 4.24 0.00 1.71 1.66 0.00 1.74 0.00 0.00 1.68 0.00 0.00 2.84 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.39 1.43 7.81 8 G 8.12 4.19 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 0.00 0.00 0.00 9 T 8.01 4.48 4.39 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 1.22 0.00 0.00 10 L 8.98 4.04 0.00 1.71 1.84 1.01 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 11 E 8.20 4.10 0.00 2.02 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 2.42 2.40 0.00 12 A 7.92 4.04 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 13 L 7.95 4.35 0.00 1.76 1.63 0.88 0.68 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 14 D 7.78 4.43 0.00 3.04 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 15 P 0.00 4.33 0.00 2.06 2.13 0.00 3.72 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 2.03 2.16 0.00 16 I 7.71 4.24 1.34 0.00 0.00 0.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.83 0.76 0.00 0.00 17 L 7.85 4.05 0.00 1.86 1.95 1.01 1.09 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 18 P 0.00 4.60 0.00 2.24 2.18 0.00 3.82 0.00 0.00 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.23 0.00 19 G 8.27 3.86 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 0.00 0.00 0.00 20 L 7.84 4.24 0.00 1.72 1.73 0.97 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 21 F 8.21 4.10 0.00 3.39 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 22 D 8.68 4.60 0.00 2.89 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 23 G 8.06 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 0.00 0.00 0.00 24 G 8.05 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 0.00 0.00 0.00 25 A 7.71 3.02 0.37 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 26 R 8.62 4.35 0.00 1.83 2.05 0.00 3.46 0.00 0.00 3.30 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.80 0.00 27 G 6.92 4.31 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 0.00 28 L 8.90 5.74 0.00 1.69 1.72 1.08 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 29 W 9.48 5.23 0.00 3.44 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 30 E 9.31 4.78 0.00 2.12 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 2.29 2.48 0.00 31 R 9.03 4.03 0.00 1.08 1.07 0.00 2.21 0.00 0.00 2.25 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.50 0.00 32 E 9.73 3.59 0.00 1.93 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.18 0.00 33 G 8.30 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 34 E 8.00 5.21 0.00 2.25 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 2.23 2.28 0.00 35 V 8.93 4.82 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 1.15 0.00 0.00 1.03 0.00 0.00 36 W 9.62 5.07 0.00 3.51 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 37 A 8.94 5.17 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 0.00 0.00 0.00 0.00 0.00 38 F 9.12 5.28 0.00 3.14 3.17 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 0.00 39 F 9.70 5.21 0.00 3.28 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 40 P 0.00 4.46 0.00 2.15 2.24 0.00 3.91 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.22 0.00 41 A 7.63 4.54 1.02 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 0.00 0.00 42 P 0.00 2.97 0.00 0.80 0.49 0.00 2.58 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 0.44 0.00 43 V 6.48 4.15 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 0.71 0.00 0.00 0.71 0.00 0.00 44 D 8.38 4.39 0.00 2.52 2.53 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.04 4.70 0.00 1.40 1.35 0.11 1.14 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 46 P 0.00 4.46 0.00 1.88 1.91 0.00 2.71 0.00 0.00 3.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.54 1.52 0.00 47 Y 7.34 4.52 0.00 3.39 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 48 E 8.37 3.83 0.00 2.11 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 2.23 2.31 0.00 49 G 7.20 2.88 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 50 V 7.63 4.25 1.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 0.00 0.00 0.76 0.00 0.00 51 W 8.71 5.36 0.00 3.31 3.27 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 52 E 9.63 4.74 0.00 1.87 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 2.02 2.13 0.00 53 E 8.07 3.59 0.00 1.16 1.12 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 1.79 1.47 0.00 54 V 8.25 4.52 2.30 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 0.81 0.00 0.00 1.23 0.00 0.00 55 G 8.67 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 0.00 0.00 0.00 56 D 8.75 4.57 0.00 2.73 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 *57 E 7.73 4.52 0.00 1.94 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 2.14 1.86 0.00 *59 W 8.62 4.83 0.00 3.60 3.21 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 * Residues marked with a * may have inaccurate shift predictions.