NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 G 3.9401 8.3393 109.7362 45.5751 0.0000 175.2720 3 S 4.1369 7.6647 115.6412 56.7186 65.0360 169.7507 4 V 3.5807 9.0985 123.8644 66.3694 31.7466 179.4116 5 E 4.0610 8.1689 117.7896 59.4765 29.2265 179.0024 6 D 4.4219 7.7391 120.1495 56.8019 40.8437 179.0370 7 R 3.8977 8.1195 118.7754 59.2888 30.1595 179.3270 8 V 3.6358 8.2383 119.3087 65.2938 31.0904 178.5682 9 T 4.1028 7.7698 117.4104 65.9213 68.2635 176.4655 10 Q 4.0876 8.2096 120.0698 59.2383 28.7431 179.0965 11 L 3.9561 8.2314 120.0508 58.0598 41.2167 179.6186 12 E 3.9729 8.3423 118.4398 59.1493 29.3557 179.4268 13 R 3.9268 7.6775 118.7432 59.4226 30.2196 178.7110 14 I 3.6075 7.9015 119.7836 64.2771 37.0327 178.0981 15 S 4.0446 8.2741 114.3948 61.5990 62.1165 176.1238 16 N 4.2706 8.2480 118.5490 56.2619 38.3026 176.9593 17 A 3.9968 7.8245 122.0907 55.8011 18.3470 179.3667 18 H 4.2125 8.6658 114.6950 59.2987 28.8380 178.1972 19 S 4.1719 8.3738 117.0261 61.6283 62.6288 176.9645 20 Q 3.9819 8.1676 120.7347 58.8038 28.4748 178.2958 21 L 3.9630 8.0173 120.0542 58.0385 41.6437 179.5213 22 L 3.9758 8.2504 118.9880 58.2852 41.4656 179.8118 23 T 3.8635 7.7901 114.9660 66.7341 68.3720 176.7821 24 Q 3.9612 8.0648 119.8057 58.7953 28.6972 178.3054 25 L 3.9389 8.1533 120.3898 58.2398 41.7719 179.6197 26 Q 3.9755 8.3169 117.6717 59.2220 28.7529 179.2154 27 Q 4.0074 8.3116 119.0545 59.1962 28.7328 178.9250 28 Q 4.0681 8.6056 119.3979 58.3178 28.7815 178.2182 29 L 3.8991 8.5952 122.0276 58.3210 42.2079 178.7732 30 S 4.1038 8.0790 112.9014 61.6646 62.2348 175.9655 31 D 4.3421 7.9536 120.7918 57.4699 40.5521 178.3100 32 N 4.3268 8.3418 117.5721 56.8207 38.9402 176.9085 33 Q 3.9963 8.7218 119.8157 58.9747 28.7540 178.9788 34 S 4.1256 8.2064 116.2593 61.6736 62.8117 176.3945 35 D 4.3963 8.2106 121.5586 57.2738 40.4514 178.6334 36 I 3.7063 7.9190 120.4550 64.8832 37.1900 178.2107 37 D 4.3485 8.0626 119.2535 57.3566 40.5029 179.1539 38 S 4.1100 8.5380 116.2441 61.3854 62.7713 176.3626 39 L 3.9331 8.6192 123.5331 58.1433 41.8360 178.9305 40 R 3.9763 8.3375 118.9960 59.3819 29.9844 178.6982 41 G 3.5982 8.0888 105.5120 47.7510 0.0000 175.3197 42 Q 3.9648 8.3998 122.5139 59.0259 29.0967 178.5208 43 I 3.6936 8.0510 120.9931 64.4643 37.1522 178.2440 44 Q 4.2423 8.0101 120.1190 58.4067 28.6999 178.5742 45 E 3.9830 8.1018 120.0772 59.5346 29.5212 178.5081 46 N 4.3436 8.3961 117.0142 56.6963 38.7097 176.6512 47 Q 3.9935 8.6505 119.8772 59.2413 28.7101 178.3677 48 Y 4.1476 8.1634 120.2208 60.9933 38.8352 178.3977 49 Q 3.9482 8.0907 118.5393 58.7232 28.7243 178.2786 50 L 3.9253 8.0683 120.3763 58.2470 41.6704 179.3245 51 N 4.2476 8.2156 115.9439 56.5473 38.4007 177.4831 52 Q 3.8256 7.5367 119.1616 58.8722 28.6934 178.9029 53 V 3.5220 7.7356 119.2045 65.9806 31.4133 178.1405 54 V 3.5310 8.0217 118.1740 66.1652 31.4239 177.7145 55 E 3.9036 8.3824 119.1268 59.2244 29.4357 178.9532 56 R 3.9720 8.3697 118.7498 58.9383 30.1314 178.7018 57 Q 3.9470 8.4100 119.8998 58.9210 28.9894 178.1890 58 K 3.8596 8.2209 119.7953 59.8109 32.0632 178.8174 59 Q 3.9901 8.1004 119.4134 59.5240 28.7876 178.7810 60 I 3.7879 7.7942 120.7393 64.1475 37.0057 178.3449 61 L 4.0565 7.9945 120.2559 57.3982 41.2685 179.3044 62 L 4.0993 7.8402 119.5148 58.3691 39.6022 178.7635 63 Q 3.9261 7.8196 120.6937 59.2152 28.7041 178.3049 64 I 3.9993 7.8640 119.3319 63.7435 37.8449 177.5491 65 D 4.3833 7.6795 119.4677 56.9944 40.6414 178.4994 66 S 4.2790 7.6375 114.5514 61.3823 63.2445 176.1134 67 L 4.1136 7.2816 119.6522 56.8970 41.5176 177.8832 *68 S 4.2705 7.5937 120.5507 58.2202 63.0192 179.0021 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 3.94 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 0.00 0.00 0.00 3 S 7.66 4.14 0.00 4.27 4.01 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 4 V 9.10 3.58 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 0.98 0.00 0.00 0.93 0.00 0.00 5 E 8.17 4.06 0.00 2.09 1.98 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 2.40 2.46 0.00 6 D 7.74 4.42 0.00 2.81 2.71 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.12 3.90 0.00 2.00 1.97 0.00 3.26 0.00 0.00 3.22 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.78 0.00 8 V 8.24 3.64 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 0.91 0.00 0.00 0.93 0.00 0.00 9 T 7.77 4.10 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 1.21 0.00 0.00 10 Q 8.21 4.09 0.00 2.28 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.77 0.00 0.00 0.00 0.00 0.00 2.38 2.55 0.00 11 L 8.23 3.96 0.00 1.89 1.72 0.92 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 12 E 8.34 3.97 0.00 2.20 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 2.32 2.43 0.00 13 R 7.68 3.93 0.00 1.97 2.13 0.00 3.08 0.00 0.00 3.15 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.65 0.00 14 I 7.90 3.61 1.80 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.47 0.70 0.00 0.00 15 S 8.27 4.04 0.00 4.03 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 16 N 8.25 4.27 0.00 2.92 2.84 0.00 0.00 6.93 6.90 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 17 A 7.82 4.00 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 18 H 8.67 4.21 0.00 3.30 3.35 0.00 5.65 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 19 S 8.37 4.17 0.00 3.99 3.92 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.17 3.98 0.00 2.26 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.76 0.00 0.00 0.00 0.00 0.00 2.38 2.40 0.00 21 L 8.02 3.96 0.00 1.84 1.73 0.99 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 22 L 8.25 3.98 0.00 1.73 1.73 0.95 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 23 T 7.79 3.86 4.41 0.00 0.00 0.00 0.00 0.00 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 24 Q 8.06 3.96 0.00 2.19 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.73 0.00 0.00 0.00 0.00 0.00 2.63 2.54 0.00 25 L 8.15 3.94 0.00 1.98 1.73 0.92 0.96 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 26 Q 8.32 3.98 0.00 2.24 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.81 0.00 0.00 0.00 0.00 0.00 2.38 2.56 0.00 27 Q 8.31 4.01 0.00 2.23 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.82 0.00 0.00 0.00 0.00 0.00 2.38 2.52 0.00 28 Q 8.61 4.07 0.00 2.17 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.80 0.00 0.00 0.00 0.00 0.00 2.37 2.36 0.00 29 L 8.60 3.90 0.00 1.77 1.90 0.92 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 30 S 8.08 4.10 0.00 3.94 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 31 D 7.95 4.34 0.00 2.92 2.70 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.34 4.33 0.00 2.90 2.94 0.00 0.00 7.28 6.93 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 33 Q 8.72 4.00 0.00 2.20 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.58 0.00 0.00 0.00 0.00 0.00 2.38 2.60 0.00 34 S 8.21 4.13 0.00 3.98 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 35 D 8.21 4.40 0.00 2.86 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 36 I 7.92 3.71 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 1.52 0.81 0.91 0.00 0.00 37 D 8.06 4.35 0.00 2.84 2.71 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.54 4.11 0.00 3.94 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 39 L 8.62 3.93 0.00 1.82 1.90 0.92 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 40 R 8.34 3.98 0.00 1.96 2.08 0.00 3.15 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.65 0.00 41 G 8.09 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.40 3.96 0.00 2.11 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.75 0.00 0.00 0.00 0.00 0.00 2.37 2.42 0.00 43 I 8.05 3.69 1.88 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.52 0.92 0.00 0.00 44 Q 8.01 4.24 0.00 2.11 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.76 0.00 0.00 0.00 0.00 0.00 2.40 2.34 0.00 45 E 8.10 3.98 0.00 2.11 2.16 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 2.34 2.57 0.00 46 N 8.40 4.34 0.00 2.89 2.94 0.00 0.00 7.25 8.08 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 47 Q 8.65 3.99 0.00 2.29 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.55 0.00 0.00 0.00 0.00 0.00 2.40 2.56 0.00 48 Y 8.16 4.15 0.00 3.07 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 49 Q 8.09 3.95 0.00 2.30 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.49 0.00 0.00 0.00 0.00 0.00 2.45 2.80 0.00 50 L 8.07 3.93 0.00 1.89 1.72 0.92 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 51 N 8.22 4.25 0.00 2.75 2.79 0.00 0.00 7.13 8.19 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 52 Q 7.54 3.83 0.00 1.98 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.78 0.00 0.00 0.00 0.00 0.00 2.05 1.89 0.00 53 V 7.74 3.52 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 0.92 0.00 0.00 54 V 8.02 3.53 2.21 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 1.00 0.00 0.00 0.91 0.00 0.00 55 E 8.38 3.90 0.00 2.24 1.89 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 2.28 2.37 0.00 56 R 8.37 3.97 0.00 1.85 1.94 0.00 3.16 0.00 0.00 3.07 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.87 0.00 57 Q 8.41 3.95 0.00 2.08 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.76 0.00 0.00 0.00 0.00 0.00 2.34 2.39 0.00 58 K 8.22 3.86 0.00 1.95 1.84 0.00 1.72 0.00 0.00 1.56 0.00 0.00 2.88 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.45 1.45 7.81 59 Q 8.10 3.99 0.00 2.16 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.82 0.00 0.00 0.00 0.00 0.00 2.35 2.46 0.00 60 I 7.79 3.79 2.02 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.40 0.90 0.00 0.00 61 L 7.99 4.06 0.00 1.86 1.71 0.91 0.28 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 62 L 7.84 4.10 0.00 1.89 1.91 0.97 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 63 Q 7.82 3.93 0.00 2.27 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.85 0.00 0.00 0.00 0.00 0.00 2.36 2.38 0.00 64 I 7.86 4.00 2.02 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 1.18 0.93 0.00 0.00 65 D 7.68 4.38 0.00 2.77 2.71 0.00 0.00 0.00 0.00 0.00 0.00 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 S 7.64 4.28 0.00 3.98 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 67 L 7.28 4.11 0.00 1.63 1.76 0.95 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 *68 S 7.59 4.27 0.00 3.71 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 * Residues marked with a * may have inaccurate shift predictions.