NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 T 4.2588 8.1749 110.9340 61.5055 70.0807 172.7570 3 S 4.6485 8.0226 117.6048 56.4637 66.3128 172.0938 4 Y 4.7623 9.2972 120.9919 56.6817 42.0018 174.8371 5 T 4.8909 8.3834 119.2481 62.0396 72.8533 173.0787 6 L 4.8766 8.1553 121.2919 53.4446 45.7569 175.8587 7 N 5.0511 8.4601 118.0058 51.7080 42.3951 173.7379 8 E 4.5464 8.3815 121.7013 54.8360 32.6456 174.6811 9 V 3.6915 8.4074 125.9254 62.6136 31.0837 175.5516 10 V 4.3900 8.1099 128.2397 60.2940 32.6123 174.4271 11 P 4.5378 0.0000 0.0000 61.7672 29.2125 176.4887 12 L 3.9535 8.2865 127.3476 58.8802 41.6917 178.3201 13 K 3.7835 7.9632 117.3722 59.9645 32.1051 177.6395 14 E 3.8650 7.5565 117.5616 58.3478 29.4420 177.9180 15 F 4.9636 8.0170 116.8375 57.7040 40.3851 176.5076 16 V 4.4675 7.1066 109.6722 58.5195 33.9913 173.4785 17 P 4.2227 0.0000 0.0000 61.6132 32.4404 176.1076 18 E 3.8650 8.8233 119.7486 58.6323 29.6469 176.7629 19 W 4.7744 7.9925 117.8175 55.0193 30.5029 175.9248 20 V 4.6156 8.3020 115.7528 59.6684 35.0513 175.0242 21 R 4.6168 8.5213 122.1981 54.6294 31.7370 175.7920 22 I 4.4637 7.9795 114.2361 59.1793 39.7634 174.8192 23 G 4.1403 8.1381 110.3662 44.8341 0.0000 171.4811 24 F 4.7869 8.1930 117.5973 55.6492 40.8578 175.8512 25 S 4.4919 8.3561 117.5394 57.2146 65.1185 172.9185 26 A 4.7385 8.3130 129.1609 50.7951 22.1582 173.8508 27 T 4.6824 7.8627 108.3706 61.3386 71.6240 173.0981 28 T 4.7630 8.2537 110.5085 60.6851 72.2537 173.0706 29 G 4.1412 7.9616 113.6382 45.9343 0.0000 174.1022 30 A 4.4523 8.5034 122.3362 52.0903 18.6578 176.7120 31 E 4.5524 7.8305 117.4952 57.8981 33.1814 175.5245 32 F 4.7657 6.8917 113.5021 57.6915 40.0303 172.6040 33 A 4.3371 8.1285 121.6929 52.2568 20.9988 175.6260 34 A 4.3952 8.4174 122.5681 51.5496 19.8360 176.9717 35 H 4.9057 8.5037 117.9084 53.9757 31.6611 173.2109 36 E 4.6225 8.5073 122.5641 54.5403 33.4855 174.6292 37 V 4.1192 8.0608 121.2505 61.0840 33.4869 175.3131 38 L 4.4326 8.2699 125.9572 55.7267 42.8337 175.7623 39 S 4.6169 7.1024 110.4438 57.8798 65.4608 172.8271 40 W 4.8834 8.0971 125.1933 57.3656 32.9886 172.7078 41 Y 5.0680 8.9172 125.4504 55.9810 41.5488 174.3186 42 F 4.0464 7.3010 120.4473 57.5798 41.5798 172.6215 43 N 4.4609 7.8599 126.9140 51.2893 40.9529 173.3311 44 S 4.3049 8.1113 119.5571 56.2535 65.1486 172.9203 45 E 4.5601 8.5809 124.5549 53.9958 31.6088 174.9413 46 L 4.5013 8.2062 124.4698 52.8709 44.2606 175.9815 47 A 4.1330 8.3392 131.0836 52.1657 19.6371 178.2609 *48 V 3.9283 8.0847 115.2429 61.2908 32.3990 173.2839 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 T 8.17 4.26 3.93 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 1.15 0.00 0.00 3 S 8.02 4.65 0.00 3.85 3.76 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 0.00 0.00 0.00 0.00 4 Y 9.30 4.76 0.00 2.86 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 5 T 8.38 4.89 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 1.25 0.00 0.00 6 L 8.16 4.88 0.00 1.58 1.53 0.97 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 7 N 8.46 5.05 0.00 2.66 2.67 0.00 0.00 6.69 7.66 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 8 E 8.38 4.55 0.00 1.88 1.79 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 2.22 2.38 0.00 9 V 8.41 3.69 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 0.83 0.00 0.00 0.94 0.00 0.00 10 V 8.11 4.39 2.15 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 1.08 0.00 0.00 1.01 0.00 0.00 11 P 0.00 4.54 0.00 1.94 2.08 0.00 3.98 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.90 0.00 12 L 8.29 3.95 0.00 1.67 1.77 0.96 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 13 K 7.96 3.78 0.00 1.66 1.78 0.00 1.71 0.00 0.00 1.56 0.00 0.00 2.96 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.36 1.48 7.81 14 E 7.56 3.87 0.00 1.58 1.18 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 0.00 1.90 2.04 0.00 15 F 8.02 4.96 0.00 3.04 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 16 V 7.11 4.47 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 0.84 0.00 0.00 0.97 0.00 0.00 17 P 0.00 4.22 0.00 2.22 2.10 0.00 3.72 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.17 0.00 18 E 8.82 3.86 0.00 1.87 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 1.80 2.12 0.00 19 W 7.99 4.77 0.00 3.36 3.13 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 0.00 0.00 0.00 0.00 20 V 8.30 4.62 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 0.83 0.00 0.00 0.97 0.00 0.00 21 R 8.52 4.62 0.00 1.81 1.86 0.00 3.17 0.00 0.00 3.29 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.63 0.00 22 I 7.98 4.46 1.68 0.00 0.00 -0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.37 0.72 0.00 0.00 23 G 8.14 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 0.00 0.00 0.00 24 F 8.19 4.79 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 25 S 8.36 4.49 0.00 3.79 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 26 A 8.31 4.74 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 27 T 7.86 4.68 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 28 T 8.25 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 1.35 0.00 0.00 29 G 7.96 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 0.00 0.00 0.00 30 A 8.50 4.45 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 31 E 7.83 4.55 0.00 1.93 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 2.00 2.07 0.00 32 F 6.89 4.77 0.00 3.03 3.04 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 0.00 0.00 0.00 33 A 8.13 4.34 1.18 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 0.00 0.00 0.00 0.00 0.00 0.00 34 A 8.42 4.40 1.21 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 0.00 0.00 35 H 8.50 4.91 0.00 3.08 3.13 0.00 5.66 0.00 0.00 0.00 0.00 6.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 E 8.51 4.62 0.00 1.83 1.71 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 2.16 2.23 0.00 37 V 8.06 4.12 1.68 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 0.25 0.00 0.00 -0.07 0.00 0.00 38 L 8.27 4.43 0.00 1.61 1.68 0.88 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 39 S 7.10 4.62 0.00 4.03 3.88 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 40 W 8.10 4.88 0.00 3.28 3.16 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 41 Y 8.92 5.07 0.00 2.87 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 42 F 7.30 4.05 0.00 2.53 2.44 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 0.00 0.00 0.00 0.00 43 N 7.86 4.46 0.00 2.32 2.16 0.00 0.00 7.01 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 S 8.11 4.30 0.00 3.75 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 45 E 8.58 4.56 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 2.12 2.14 0.00 46 L 8.21 4.50 0.00 1.42 1.42 0.83 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 47 A 8.34 4.13 1.22 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 0.00 0.00 *48 V 8.08 3.93 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 0.70 0.00 0.00 0.93 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.