NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 G 3.7866 8.3393 109.7361 44.7272 0.0000 172.9481 *4 P 4.1134 0.0000 0.0000 62.4886 32.2125 176.1952 5 V 4.5677 7.8236 113.4161 59.5709 36.1490 173.9372 6 E 4.3238 8.8104 123.3389 54.3652 32.3008 174.5302 7 F 5.4544 8.2810 125.3976 56.4585 40.2754 174.7711 8 N 5.0950 8.7073 121.7434 51.6879 40.3696 174.9408 9 T 4.4731 8.7048 111.4082 61.5795 70.3600 174.1360 10 L 4.9992 7.5364 120.6449 53.0888 46.1345 175.9577 11 I 4.1959 8.5390 123.0635 60.3729 38.4215 175.2384 12 V 4.6859 8.4718 128.6462 61.3461 32.7859 175.0282 13 T 4.3672 8.6415 120.4603 59.6556 69.7868 176.3643 14 K 4.4439 8.5680 129.1949 56.6226 31.7955 178.8627 15 G 4.0954 8.6867 106.0817 46.0077 0.0000 174.9229 16 K 4.4650 7.4557 116.8323 56.2170 32.8524 176.3923 17 E 4.5511 7.8959 117.3512 56.5902 31.0335 176.0536 18 V 4.6254 8.8186 121.1387 61.0897 34.7479 174.3949 19 R 4.5538 8.8649 124.9321 55.4642 30.0236 176.3035 20 I 4.2589 7.9458 115.5173 60.9854 39.4894 175.2593 21 D 4.2826 7.0784 121.9505 53.5536 42.7093 174.7512 22 E 4.0495 8.6308 113.7039 58.9528 30.2689 177.4019 23 N 4.9931 7.8829 114.1383 51.9270 41.1683 173.4616 24 I 4.6934 7.1964 113.7792 59.1629 40.2212 174.8530 25 F 5.2625 9.0691 124.7931 55.5063 43.0876 173.9168 26 T 5.1772 8.9752 109.2784 60.0457 72.0188 172.8228 27 L 5.0636 9.3298 126.4973 53.2481 45.6573 174.2886 28 E 5.1369 8.9762 126.6764 54.5524 31.3019 174.8853 29 K 4.8023 9.4534 126.1601 54.4874 36.0200 174.7200 30 D 4.6443 8.6409 122.0481 54.7621 42.0218 177.1214 31 G 3.6679 8.4204 109.9652 45.4177 0.0000 173.0915 32 Y 3.9171 7.2979 117.0400 57.5457 38.0325 174.9896 33 R 4.9961 8.6410 123.3071 54.6975 32.7375 176.1658 34 V 4.7240 9.2624 122.8522 61.6188 33.7195 174.0020 35 Y 5.0047 8.6746 124.8790 55.5851 40.9979 175.5348 36 P 4.3884 0.0000 0.0000 62.5258 31.8875 175.6199 *38 E 4.2609 8.5397 118.1948 56.2948 31.1383 176.0811 39 I 4.5487 7.5058 118.8477 59.7564 38.5468 173.9753 40 P 5.2482 0.0000 0.0000 62.3921 32.5073 175.2878 *42 D 4.6474 8.4316 119.3194 54.4330 42.7542 174.8840 43 V 4.9925 8.9591 115.0941 59.6484 35.3740 174.9429 44 R 4.8305 8.9426 120.1747 54.6339 32.7217 176.2068 45 K 4.1073 8.8609 121.7641 58.9925 32.5690 176.9598 46 T 4.7571 7.4517 110.3350 59.4640 70.4776 173.0422 47 K 3.9103 8.9113 127.2503 59.5819 31.6512 177.4979 48 F 3.5891 7.5571 112.9902 61.8329 39.7813 178.8831 *50 E 4.2394 7.6787 124.3358 56.4506 30.7060 174.8365 51 K 4.4028 8.4130 118.5537 55.1514 33.9164 177.4030 52 S 4.3678 9.3913 121.0560 57.6822 63.3275 173.5697 53 G 4.3783 6.6945 104.5584 46.8429 0.0000 170.8831 54 T 5.1596 8.1906 115.5931 61.9048 72.3807 173.5773 55 A 5.2269 8.2325 124.6547 51.1227 23.8887 174.7145 56 E 4.8920 9.1336 117.6828 54.7652 33.6001 175.8265 57 V 4.1283 8.6674 125.6276 63.6328 31.4995 175.5127 58 Q 4.4982 9.3722 126.9707 57.1536 30.1964 175.8882 59 K 4.6986 7.7537 118.0836 54.9759 36.1084 174.6723 60 L 5.1068 8.3066 126.5121 53.6171 45.2124 174.9983 61 Q 4.7003 9.0523 122.6510 54.2614 32.4965 173.8234 62 W 5.6967 8.3240 119.6427 55.3281 32.4308 174.8884 63 E 4.6634 9.9189 120.0534 57.1628 33.2508 175.0600 64 E 4.1428 10.1418 124.4120 58.3238 26.8268 174.8202 65 G 3.2402 8.1394 103.5948 45.8823 0.0000 170.9521 66 R 4.8944 7.6873 117.5078 54.3493 34.4153 174.4897 67 T 5.3878 8.8311 114.4683 60.5208 71.0659 172.1903 68 I 5.0800 8.8370 128.9090 59.2554 40.7188 174.1406 69 I 4.9281 9.0517 123.2861 59.5939 40.8927 174.8185 70 T 5.1589 8.8550 120.4896 62.1904 71.0061 172.7241 71 Y 5.2402 8.4883 124.6728 54.9349 42.0078 174.4929 72 K 4.8268 8.7949 122.1353 54.6551 34.1219 174.9522 73 L 4.9215 9.4125 131.7550 55.4686 42.1026 176.5253 74 T 4.6086 8.8213 117.0681 61.5670 69.8203 174.6854 75 S 4.7536 7.3751 115.8253 58.2209 65.4060 175.5282 76 L 4.9865 8.6256 120.7074 54.7616 44.0698 174.2839 77 H 4.2357 8.8615 123.8792 57.1245 29.1967 178.0223 78 S 4.3598 5.8100 108.2190 57.4562 61.7729 176.1368 79 V 3.7475 7.2678 118.8248 61.0811 30.7408 176.3075 80 N 4.2353 8.4165 124.2978 54.6342 39.5433 174.4906 81 L 3.9638 8.4361 123.8632 55.6597 43.0755 174.0966 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 8.34 3.79 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 0.00 0.00 0.00 *4 P 0.00 4.11 0.00 2.12 2.05 0.00 3.67 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 1.85 1.95 0.00 5 V 7.82 4.57 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 0.58 0.00 0.00 0.68 0.00 0.00 6 E 8.81 4.32 0.00 1.84 1.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.10 0.00 7 F 8.28 5.45 0.00 2.95 2.85 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 8 N 8.71 5.10 0.00 1.51 2.47 0.00 0.00 6.96 7.11 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 9 T 8.70 4.47 4.25 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 1.22 0.00 0.00 10 L 7.54 5.00 0.00 1.48 1.55 0.92 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 11 I 8.54 4.20 1.56 0.00 0.00 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.52 0.35 0.00 0.00 12 V 8.47 4.69 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 0.83 0.00 0.00 0.93 0.00 0.00 13 T 8.64 4.37 4.46 0.00 0.00 0.00 0.00 0.00 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 14 K 8.57 4.44 0.00 1.83 1.88 0.00 1.79 0.00 0.00 1.84 0.00 0.00 2.90 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.55 1.40 7.81 15 G 8.69 4.10 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 0.00 0.00 0.00 16 K 7.46 4.47 0.00 1.84 1.93 0.00 1.64 0.00 0.00 1.78 0.00 0.00 2.95 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.46 1.39 7.81 17 E 7.90 4.55 0.00 2.10 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 0.00 2.29 2.01 0.00 18 V 8.82 4.63 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 0.95 0.00 0.00 0.97 0.00 0.00 19 R 8.86 4.55 0.00 1.51 1.57 0.00 3.05 0.00 0.00 3.27 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.59 0.00 20 I 7.95 4.26 1.80 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.54 0.85 0.00 0.00 21 D 7.08 4.28 0.00 2.46 2.28 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 22 E 8.63 4.05 0.00 2.08 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 2.22 2.20 0.00 23 N 7.88 4.99 0.00 2.62 2.85 0.00 0.00 6.69 7.80 0.00 0.00 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 I 7.20 4.69 1.73 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 1.14 0.49 0.83 0.00 0.00 25 F 9.07 5.26 0.00 1.67 2.66 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 0.00 0.00 0.00 0.00 26 T 8.98 5.18 4.26 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 1.17 0.00 0.00 27 L 9.33 5.06 0.00 1.95 1.58 0.99 0.73 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 28 E 8.98 5.14 0.00 2.04 1.85 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 2.23 2.36 0.00 29 K 9.45 4.80 0.00 1.79 1.74 0.00 1.81 0.00 0.00 1.64 0.00 0.00 2.87 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.46 1.74 7.81 30 D 8.64 4.64 0.00 2.65 2.50 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 31 G 8.42 3.67 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 0.00 0.00 0.00 0.00 0.00 0.00 32 Y 7.30 3.92 0.00 2.28 1.43 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.64 5.00 0.00 1.94 1.79 0.00 3.23 0.00 0.00 3.24 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.59 0.00 34 V 9.26 4.72 2.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 1.50 0.00 0.00 35 Y 8.67 5.00 0.00 2.93 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 36 P 0.00 4.39 0.00 2.09 2.06 0.00 3.87 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.08 0.00 *38 E 8.54 4.26 0.00 1.94 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 2.19 2.41 0.00 39 I 7.51 4.55 1.89 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.72 0.92 0.00 0.00 40 P 0.00 5.25 0.00 2.09 2.23 0.00 3.41 0.00 0.00 4.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.85 0.00 *42 D 8.43 4.65 0.00 2.71 2.64 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 43 V 8.96 4.99 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 0.55 0.00 0.00 0.94 0.00 0.00 44 R 8.94 4.83 0.00 1.84 2.04 0.00 2.76 0.00 0.00 3.28 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.65 0.00 45 K 8.86 4.11 0.00 1.72 1.89 0.00 1.72 0.00 0.00 1.62 0.00 0.00 2.82 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.43 1.50 7.81 46 T 7.45 4.76 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 1.45 0.00 0.00 47 K 8.91 3.91 0.00 1.67 1.62 0.00 1.65 0.00 0.00 1.56 0.00 0.00 2.83 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.21 1.38 7.81 48 F 7.56 3.59 0.00 3.08 2.96 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 0.00 *50 E 7.68 4.24 0.00 2.12 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 2.20 2.33 0.00 51 K 8.41 4.40 0.00 1.67 1.40 0.00 1.68 0.00 0.00 1.39 0.00 0.00 2.86 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.35 1.36 7.81 52 S 9.39 4.37 0.00 3.85 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 53 G 6.69 4.38 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 T 8.19 5.16 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 55 A 8.23 5.23 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 56 E 9.13 4.89 0.00 1.95 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 2.36 2.28 0.00 57 V 8.67 4.13 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 0.85 0.00 0.00 0.89 0.00 0.00 58 Q 9.37 4.50 0.00 1.93 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.59 6.40 0.00 0.00 0.00 0.00 0.00 2.36 2.44 0.00 59 K 7.75 4.70 0.00 1.78 1.58 0.00 1.67 0.00 0.00 1.73 0.00 0.00 2.76 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.41 1.42 7.81 60 L 8.31 5.11 0.00 1.68 1.44 1.21 0.36 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 61 Q 9.05 4.70 0.00 2.20 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.52 0.00 0.00 0.00 0.00 0.00 2.40 2.41 0.00 62 W 8.32 5.70 0.00 3.21 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 63 E 9.92 4.66 0.00 2.07 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 2.20 2.27 0.00 64 E 10.14 4.14 0.00 2.14 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 2.28 2.35 0.00 65 G 8.14 3.24 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 0.00 0.00 0.00 0.00 66 R 7.69 4.89 0.00 1.77 1.94 0.00 3.05 0.00 0.00 3.09 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.68 0.00 67 T 8.83 5.39 4.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 68 I 8.84 5.08 1.95 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 1.34 1.53 1.00 0.00 0.00 69 I 9.05 4.93 1.82 0.00 0.00 0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 1.14 0.80 0.00 0.00 70 T 8.86 5.16 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 1.22 0.00 0.00 71 Y 8.49 5.24 0.00 3.07 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 72 K 8.79 4.83 0.00 1.89 1.78 0.00 1.64 0.00 0.00 1.61 0.00 0.00 2.82 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.41 1.38 7.81 73 L 9.41 4.92 0.00 2.08 1.89 1.08 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 74 T 8.82 4.61 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 75 S 7.38 4.75 0.00 3.90 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 76 L 8.63 4.99 0.00 1.53 1.62 0.97 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 0.00 0.00 0.00 0.00 0.00 0.00 77 H 8.86 4.24 0.00 3.15 3.04 0.00 5.94 0.00 0.00 0.00 0.00 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 S 5.81 4.36 0.00 4.00 3.82 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 79 V 7.27 3.75 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 0.68 0.00 0.00 0.94 0.00 0.00 80 N 8.42 4.24 0.00 2.68 2.77 0.00 0.00 7.19 7.78 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 81 L 8.44 3.96 0.00 1.79 1.62 0.92 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.