NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 E 4.4240 8.4293 120.2263 55.7907 29.9198 173.6576 5 P 4.9070 0.0000 0.0000 63.0283 37.4852 173.5754 6 C 4.3993 7.6751 118.5331 58.5001 32.5563 175.2178 7 V 3.9853 7.4115 113.1821 61.1502 32.6408 171.7755 *9 S 4.4298 8.2113 120.2936 58.0028 64.9859 176.1171 10 L 3.6354 7.7109 120.7798 57.5221 41.0505 179.3898 11 V 3.6130 7.4759 117.0829 65.8786 31.6677 177.8599 12 S 4.2285 7.8333 112.5769 61.3141 63.0469 176.0685 13 Q 4.0969 7.4574 122.0905 58.7123 28.3998 178.5544 14 Y 4.7032 7.1002 116.1843 58.5152 37.7471 178.1838 *16 Q 4.2478 8.0601 120.6271 56.4102 31.1631 177.8859 17 T 3.7201 8.1034 114.7274 66.5459 68.3253 176.9056 18 V 3.8055 7.8839 120.1524 66.3437 31.6020 178.2875 19 T 3.9352 7.7362 115.0531 66.6608 68.2235 176.2665 20 D 4.3353 8.1049 121.1203 57.4196 40.7333 178.3959 21 Y 4.7165 7.0216 118.6080 60.6324 37.8157 178.7908 22 G 3.6715 8.3170 106.7097 47.6636 0.0000 175.9901 23 K 4.0400 8.1319 120.8033 59.3910 32.1516 179.2144 24 D 4.7857 8.3821 120.9758 56.8693 40.8324 178.8444 25 L 4.1734 8.2381 119.6839 57.9412 41.5847 179.3354 26 M 4.1969 8.2825 118.6079 57.9279 31.6807 178.6358 27 E 4.0058 8.1954 119.3318 59.0504 29.5433 178.6419 28 K 4.4018 7.6272 116.7392 56.9728 32.3498 178.7180 29 V 3.9098 7.3731 118.3713 65.2527 32.0554 177.5029 30 K 4.6469 8.5380 119.1565 57.5590 31.8857 179.5332 31 S 4.1001 7.8972 115.2361 60.9638 62.6257 174.7640 32 P 4.3192 0.0000 0.0000 64.6992 31.1110 177.7709 33 E 3.9334 7.8351 118.1598 58.1482 29.0335 178.0238 34 L 4.8111 7.1014 115.6301 55.2705 42.2293 176.0069 35 Q 4.1723 7.6989 119.6598 55.9359 29.9402 175.3461 36 A 4.3750 8.1849 125.6088 52.5928 18.3614 177.6135 37 E 4.0902 7.5082 121.6583 58.4353 31.4811 176.3720 38 A 3.5586 7.3179 119.5856 55.1727 18.9567 179.6033 39 K 4.0104 7.9794 116.5370 59.5588 31.9488 179.5308 40 S 4.4775 7.2806 116.4538 61.0575 63.0329 176.1777 41 Y 4.4067 7.6497 120.2854 60.6593 37.2964 178.2168 42 F 4.8408 8.0452 122.1660 60.8997 39.6703 176.6574 43 E 3.9712 8.1891 118.2085 59.3542 29.1667 179.5069 44 K 4.2471 8.5873 118.9892 58.7564 31.9113 178.3922 45 S 4.7396 7.9779 113.9456 58.5030 63.2430 175.7574 46 K 4.3067 7.7277 122.2005 57.7072 34.6109 177.6206 47 E 4.3271 8.2322 115.6415 56.7846 29.0487 176.9538 48 Q 4.5506 7.7634 117.5828 55.4471 31.2177 177.4165 49 L 4.1517 7.8113 119.2257 58.1405 42.2702 178.6458 50 T 3.7463 7.9047 115.6652 66.2050 68.4413 175.1930 51 P 4.2652 0.0000 0.0000 65.0285 31.1382 178.6220 52 L 4.0435 7.2284 118.8749 58.8083 40.5422 179.1152 53 I 3.9461 7.3641 120.3349 63.8986 37.2865 178.3250 54 K 4.1167 8.2839 119.0370 58.5527 32.0094 179.1166 55 K 4.0280 8.2149 119.8966 58.7952 32.0121 178.4308 56 A 4.3687 7.3644 122.4057 54.1211 17.5374 179.7880 57 G 3.4624 7.8363 104.6274 48.0980 0.0000 175.4549 58 T 4.1516 7.6677 112.6729 63.9294 67.5788 174.9862 59 E 3.7573 7.8967 120.8107 58.2601 29.4560 178.0948 60 L 4.0959 8.3329 119.1255 58.3560 42.3406 179.6286 61 V 3.5369 7.4250 117.7987 66.6005 31.0169 178.2257 62 N 4.2175 7.8289 115.2271 56.2159 38.3581 177.3263 63 F 4.2613 7.4123 119.2838 60.4835 38.9838 177.6065 64 L 3.9945 7.8624 118.6033 57.7478 41.3633 179.5434 65 S 3.9401 7.7420 112.5493 61.7881 62.3553 176.0367 66 Y 4.2987 7.3585 118.0488 60.9781 37.3537 178.5302 67 F 4.6762 8.1391 119.1239 60.5879 38.9903 177.9034 68 V 3.6569 8.0825 118.0854 65.7422 31.3600 177.9892 69 E 3.9823 8.3784 118.4494 59.4029 29.2271 178.6564 70 L 4.5817 7.9688 115.3056 55.3913 41.9538 178.0750 71 G 4.0950 7.5692 104.4531 44.7477 0.0000 174.6467 72 T 4.4487 7.7583 116.9905 65.2686 69.8674 176.4834 73 Q 4.0387 7.7279 118.1696 58.6658 28.8352 176.5154 74 P 4.3553 0.0000 0.0000 65.3219 31.7178 177.6427 75 A 4.1357 7.9352 120.1920 55.1186 18.7056 177.2535 76 T 4.1031 7.6617 115.9810 63.9852 68.4384 174.3387 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 4 E 8.43 4.42 0.00 1.97 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 2.21 2.31 0.00 5 P 0.00 4.91 0.00 2.20 2.08 0.00 3.76 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 2.01 0.00 6 C 7.68 4.40 0.00 2.96 2.95 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 0.00 0.00 0.00 7 V 7.41 3.99 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 0.72 0.00 0.00 0.95 0.00 0.00 *9 S 8.21 4.43 0.00 3.98 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 0.00 10 L 7.71 3.64 0.00 1.58 1.44 0.93 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 11 V 7.48 3.61 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 0.97 0.00 0.00 0.98 0.00 0.00 12 S 7.83 4.23 0.00 4.02 3.94 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 0.00 0.00 0.00 13 Q 7.46 4.10 0.00 1.87 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 7.14 0.00 0.00 0.00 0.00 0.00 2.27 2.49 0.00 14 Y 7.10 4.70 0.00 3.13 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 *16 Q 8.06 4.25 0.00 2.25 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.46 6.90 0.00 0.00 0.00 0.00 0.00 2.32 2.55 0.00 17 T 8.10 3.72 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 0.90 0.00 0.00 18 V 7.88 3.81 2.14 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 1.12 0.00 0.00 1.07 0.00 0.00 19 T 7.74 3.94 4.36 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 1.20 0.00 0.00 20 D 8.10 4.34 0.00 2.52 2.56 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 21 Y 7.02 4.72 0.00 3.28 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 22 G 8.32 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 23 K 8.13 4.04 0.00 2.03 1.87 0.00 1.65 0.00 0.00 1.64 0.00 0.00 2.93 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.46 1.73 7.81 24 D 8.38 4.79 0.00 2.93 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 25 L 8.24 4.17 0.00 1.91 1.73 0.95 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 26 M 8.28 4.20 0.00 2.06 2.29 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.84 2.59 0.00 27 E 8.20 4.01 0.00 2.24 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 2.63 0.00 28 K 7.63 4.40 0.00 1.89 1.86 0.00 1.66 0.00 0.00 1.49 0.00 0.00 2.98 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.48 1.50 7.81 29 V 7.37 3.91 2.17 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 0.84 0.00 0.00 0.99 0.00 0.00 30 K 8.54 4.65 0.00 1.83 1.83 0.00 1.73 0.00 0.00 1.79 0.00 0.00 2.98 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.44 1.48 7.81 31 S 7.90 4.10 0.00 4.08 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 32 P 0.00 4.32 0.00 2.27 2.34 0.00 3.62 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.04 0.00 33 E 7.84 3.93 0.00 2.32 2.03 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 2.32 2.50 0.00 34 L 7.10 4.81 0.00 1.48 1.66 0.91 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 35 Q 7.70 4.17 0.00 2.23 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.60 0.00 0.00 0.00 0.00 0.00 2.38 2.27 0.00 36 A 8.18 4.37 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 37 E 7.51 4.09 0.00 2.03 1.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.28 0.00 38 A 7.32 3.56 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 39 K 7.98 4.01 0.00 1.79 1.94 0.00 1.66 0.00 0.00 1.89 0.00 0.00 2.97 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.53 1.47 7.81 40 S 7.28 4.48 0.00 4.16 4.07 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 0.00 0.00 0.00 0.00 41 Y 7.65 4.41 0.00 3.24 2.99 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 42 F 8.05 4.84 0.00 2.92 3.34 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 43 E 8.19 3.97 0.00 2.26 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 2.29 2.62 0.00 44 K 8.59 4.25 0.00 1.89 1.91 0.00 1.84 0.00 0.00 1.78 0.00 0.00 3.04 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.50 1.71 7.81 45 S 7.98 4.74 0.00 4.14 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 0.00 46 K 7.73 4.31 0.00 1.81 1.68 0.00 1.18 0.00 0.00 1.36 0.00 0.00 2.39 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.10 1.20 7.81 47 E 8.23 4.33 0.00 1.96 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 0.00 2.31 2.47 0.00 48 Q 7.76 4.55 0.00 2.06 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.95 6.89 0.00 0.00 0.00 0.00 0.00 2.33 2.43 0.00 49 L 7.81 4.15 0.00 1.70 1.78 0.92 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 50 T 7.90 3.75 4.22 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 1.19 0.00 0.00 51 P 0.00 4.27 0.00 2.15 2.08 0.00 3.51 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 2.29 2.12 0.00 52 L 7.23 4.04 0.00 1.93 1.80 0.93 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 53 I 7.36 3.95 1.99 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 1.55 0.91 0.00 0.00 54 K 8.28 4.12 0.00 1.96 1.84 0.00 1.54 0.00 0.00 1.77 0.00 0.00 2.95 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.44 1.47 7.81 55 K 8.21 4.03 0.00 2.02 2.01 0.00 1.63 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.41 1.43 7.81 56 A 7.36 4.37 1.37 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 57 G 7.84 3.46 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 0.00 0.00 0.00 0.00 58 T 7.67 4.15 4.17 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 1.19 0.00 0.00 59 E 7.90 3.76 0.00 2.17 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 2.26 2.52 0.00 60 L 8.33 4.10 0.00 1.82 1.72 0.95 0.88 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 61 V 7.42 3.54 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 0.96 0.00 0.00 0.89 0.00 0.00 62 N 7.83 4.22 0.00 2.66 2.73 0.00 0.00 7.12 8.13 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 63 F 7.41 4.26 0.00 3.03 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 0.00 0.00 0.00 0.00 64 L 7.86 3.99 0.00 1.90 1.73 1.12 0.64 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 65 S 7.74 3.94 0.00 3.73 3.65 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 66 Y 7.36 4.30 0.00 3.21 3.01 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 67 F 8.14 4.68 0.00 3.29 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 68 V 8.08 3.66 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 1.05 0.00 0.00 1.02 0.00 0.00 69 E 8.38 3.98 0.00 2.30 2.04 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 2.29 2.52 0.00 70 L 7.97 4.58 0.00 1.85 1.78 1.12 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 71 G 7.57 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 T 7.76 4.45 4.30 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 1.22 0.00 0.00 73 Q 7.73 4.04 0.00 2.15 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.98 0.00 0.00 0.00 0.00 0.00 2.41 2.52 0.00 74 P 0.00 4.36 0.00 2.05 2.13 0.00 3.70 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 2.23 2.10 0.00 75 A 7.94 4.14 1.34 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 76 T 7.66 4.10 4.36 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 1.22 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.