NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 S 4.3397 8.3344 115.2877 57.9933 62.6268 170.8476 3 I 4.3953 7.4842 120.4963 55.9796 40.7048 173.9841 4 T 4.1236 8.7141 119.0007 61.5225 71.5532 173.9807 5 S 4.0468 8.6679 115.0193 61.7574 62.2026 175.6492 6 D 4.4713 8.1378 120.6277 57.8913 40.7072 178.6263 7 E 4.1315 7.8394 117.4745 59.8110 29.5454 179.9872 8 V 3.6690 7.8727 118.2235 65.1730 31.4797 177.5462 9 N 4.5087 8.5809 118.0773 56.2222 38.4763 176.6822 10 F 3.9931 9.2521 122.1036 61.6312 39.6154 176.9293 11 L 4.1595 8.2897 118.3729 58.1784 41.3800 179.9955 12 V 3.5134 7.9888 117.6434 66.1047 31.5608 177.0466 13 Y 4.1792 8.4764 119.8136 61.1487 38.4438 178.2792 14 R 3.7714 8.0926 118.4240 59.7154 30.2725 178.0643 15 Y 4.1202 7.8993 118.5620 61.0161 38.6245 178.7331 16 L 3.8535 8.0209 119.6455 57.8149 41.8496 179.1756 17 Q 3.8230 7.6358 117.8322 59.1731 28.4563 179.2220 18 E 3.9021 8.0807 118.1474 59.4155 29.6783 178.9917 19 S 4.2520 7.5971 111.8332 57.9141 63.7023 173.9030 20 G 3.5579 7.5665 109.3372 47.1685 0.0000 175.9465 21 F 4.4934 8.2707 117.9284 56.4223 36.1948 176.6334 22 S 4.2867 7.5556 114.9995 61.3125 62.8361 174.8670 23 H 4.2553 8.0205 118.7325 58.9484 28.5429 177.6828 24 S 4.1783 8.3053 116.0604 61.7308 62.7363 176.1789 25 A 4.0292 8.3938 123.9812 55.3705 17.8314 179.2457 26 F 4.1069 7.9236 116.7901 61.9520 39.6741 177.2706 27 T 4.0800 8.2008 115.0962 66.7951 68.3824 176.4232 28 F 4.1981 9.3087 123.3004 61.3060 39.3028 177.2139 29 G 3.7860 8.6325 105.7059 48.1270 0.0000 175.5403 30 I 3.7554 7.6928 122.3272 63.3377 37.0720 178.0726 31 E 3.7971 7.9362 119.6752 58.6538 29.6454 177.0611 32 S 4.1999 7.2439 111.6865 59.4371 63.6972 174.3355 33 H 3.9952 7.3309 115.9874 57.7335 25.9226 176.5344 34 I 3.5694 7.4975 123.9688 63.7184 38.3507 177.8274 35 S 4.1696 7.8036 113.9460 60.9271 63.0365 174.8329 36 Q 4.2151 7.5698 118.1627 56.2736 28.5751 175.9534 37 S 4.4216 7.4038 112.7421 58.0694 62.9959 173.0822 38 N 4.7781 8.4752 123.0005 53.8023 38.9007 174.9496 39 I 3.9767 7.4240 118.4546 59.6313 38.8360 175.2579 40 N 4.5616 8.3117 123.6317 52.1648 38.9589 175.7881 41 G 3.8347 8.6649 116.5986 48.7806 0.0000 174.4058 42 T 4.1439 7.9904 107.5838 62.9460 68.7353 174.4148 43 L 4.4251 7.5897 121.0619 54.5867 42.8172 176.6888 44 V 4.0314 7.6052 119.4649 60.4730 30.5735 173.6227 45 P 4.3796 0.0000 0.0000 62.1044 31.8124 174.9186 46 P 4.5959 0.0000 0.0000 62.7619 32.1299 175.5022 47 A 3.8156 8.7172 119.2043 52.7865 16.6416 179.5180 48 A 4.0394 8.0289 122.3298 56.6825 18.6627 179.2299 49 L 3.9079 7.9935 117.3919 58.0929 42.4319 178.9866 50 I 3.6173 7.7831 119.4876 64.7507 37.0838 178.2357 51 S 4.2406 7.9851 114.5983 61.3096 63.0785 176.4726 52 I 3.7300 7.5542 123.6762 63.9679 36.7883 178.0268 53 L 3.9114 8.3819 120.3756 57.9301 41.5384 179.0062 54 Q 3.9590 7.9887 119.2118 59.6576 28.9322 179.4994 55 K 4.1386 7.9572 119.3030 59.1776 32.0224 179.5333 56 G 3.6759 7.9993 105.8471 47.9405 0.0000 175.5284 57 L 4.0608 8.0813 123.0368 57.6811 41.9639 179.0967 58 Q 4.5995 8.0929 119.5558 58.7375 28.4885 178.0210 59 Y 4.1416 7.9397 119.2243 60.7971 39.0328 177.8597 60 V 3.6181 7.9773 119.7007 65.6337 31.7607 177.4301 61 E 3.9013 8.3500 117.5133 59.7524 29.1775 179.5701 62 A 4.3989 8.2811 121.4995 53.7958 18.3110 178.7451 63 E 4.0639 7.7586 115.2740 57.7993 29.5734 178.0955 64 I 4.1107 7.3485 120.0113 63.0229 38.0351 177.3545 65 S 4.1296 7.9271 113.9819 60.0243 62.9948 176.3700 66 I 3.7114 7.3055 118.0548 64.2887 37.5036 176.2051 *67 N 4.5077 7.4788 121.2489 52.2956 38.2213 176.9224 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 S 8.33 4.34 0.00 3.83 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 3 I 7.48 4.40 1.86 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 1.47 0.98 0.91 0.00 0.00 4 T 8.71 4.12 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 1.21 0.00 0.00 5 S 8.67 4.05 0.00 3.92 3.91 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 6 D 8.14 4.47 0.00 2.78 2.78 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 0.00 0.00 0.00 0.00 7 E 7.84 4.13 0.00 2.32 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.34 0.00 8 V 7.87 3.67 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 1.03 0.00 0.00 0.96 0.00 0.00 9 N 8.58 4.51 0.00 3.02 3.11 0.00 0.00 6.70 7.69 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 10 F 9.25 3.99 0.00 3.28 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 11 L 8.29 4.16 0.00 2.09 1.81 0.99 0.78 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 12 V 7.99 3.51 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 0.72 0.00 0.00 0.94 0.00 0.00 13 Y 8.48 4.18 0.00 3.31 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 14 R 8.09 3.77 0.00 2.16 2.22 0.00 3.50 0.00 0.00 3.18 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 2.05 0.00 15 Y 7.90 4.12 0.00 3.09 3.11 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 0.00 0.00 0.00 0.00 16 L 8.02 3.85 0.00 1.70 1.63 0.64 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 17 Q 7.64 3.82 0.00 2.06 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.82 0.00 0.00 0.00 0.00 0.00 2.05 1.84 0.00 18 E 8.08 3.90 0.00 1.81 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 2.33 2.47 0.00 19 S 7.60 4.25 0.00 3.73 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 20 G 7.57 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.27 4.49 0.00 3.02 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 22 S 7.56 4.29 0.00 3.78 3.72 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 23 H 8.02 4.26 0.00 3.27 3.34 0.00 5.68 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 S 8.31 4.18 0.00 4.07 3.97 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 25 A 8.39 4.03 1.26 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 0.00 0.00 0.00 26 F 7.92 4.11 0.00 3.16 3.39 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 27 T 8.20 4.08 4.48 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 1.33 0.00 0.00 28 F 9.31 4.20 0.00 3.14 3.26 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 0.00 29 G 8.63 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 30 I 7.69 3.76 1.78 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 0.86 0.83 0.00 0.00 31 E 7.94 3.80 0.00 1.86 1.81 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 2.21 2.24 0.00 32 S 7.24 4.20 0.00 3.57 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 33 H 7.33 4.00 0.00 3.17 3.43 0.00 5.62 0.00 0.00 0.00 0.00 8.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 I 7.50 3.57 1.47 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 1.35 1.36 0.26 0.00 0.00 35 S 7.80 4.17 0.00 3.97 3.91 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 36 Q 7.57 4.22 0.00 2.13 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.91 0.00 0.00 0.00 0.00 0.00 2.35 2.30 0.00 37 S 7.40 4.42 0.00 4.17 3.83 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 38 N 8.48 4.78 0.00 2.70 2.77 0.00 0.00 6.93 7.45 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 39 I 7.42 3.98 1.03 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 1.30 0.54 -0.29 0.00 0.00 40 N 8.31 4.56 0.00 2.69 2.64 0.00 0.00 7.10 7.93 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 41 G 8.66 3.83 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 0.00 0.00 0.00 42 T 7.99 4.14 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 1.24 0.00 0.00 43 L 7.59 4.43 0.00 1.77 1.68 0.93 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 44 V 7.61 4.03 2.43 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 0.98 0.00 0.00 0.86 0.00 0.00 45 P 0.00 4.38 0.00 2.11 2.03 0.00 3.77 0.00 0.00 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.16 0.00 46 P 0.00 4.60 0.00 2.07 2.01 0.00 3.85 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.11 0.00 47 A 8.72 3.82 1.38 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 48 A 8.03 4.04 1.45 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 0.00 0.00 49 L 7.99 3.91 0.00 1.81 1.66 0.88 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 50 I 7.78 3.62 1.94 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 1.69 0.40 0.96 0.00 0.00 51 S 7.99 4.24 0.00 4.02 4.14 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.55 3.73 2.09 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 1.52 1.13 0.90 0.00 0.00 53 L 8.38 3.91 0.00 1.95 1.70 0.86 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 54 Q 7.99 3.96 0.00 2.18 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.81 0.00 0.00 0.00 0.00 0.00 2.38 2.50 0.00 55 K 7.96 4.14 0.00 1.88 1.84 0.00 1.75 0.00 0.00 1.67 0.00 0.00 3.01 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.47 1.60 7.81 56 G 8.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.08 4.06 0.00 1.80 1.81 0.93 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 58 Q 8.09 4.60 0.00 2.38 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.56 0.00 0.00 0.00 0.00 0.00 2.40 2.25 0.00 59 Y 7.94 4.14 0.00 3.02 3.23 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 60 V 7.98 3.62 2.31 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 0.97 0.00 0.00 0.98 0.00 0.00 61 E 8.35 3.90 0.00 2.22 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 2.33 2.44 0.00 62 A 8.28 4.40 1.27 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 0.00 0.00 63 E 7.76 4.06 0.00 1.99 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 0.00 2.11 1.86 0.00 64 I 7.35 4.11 2.01 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 1.69 0.91 0.89 0.00 0.00 65 S 7.93 4.13 0.00 4.07 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 66 I 7.31 3.71 1.84 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 1.38 0.61 0.95 0.00 0.00 *67 N 7.48 4.51 0.00 2.32 2.65 0.00 0.00 6.89 7.44 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 * Residues marked with a * may have inaccurate shift predictions.