NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 P 4.4603 0.0000 0.0000 62.2878 32.7410 175.8183 6 L 3.9521 8.4646 123.5714 52.1990 41.8307 174.0060 7 P 4.6117 0.0000 0.0000 60.9515 32.1728 174.2209 8 P 5.5384 0.0000 0.0000 61.1257 30.2547 175.4332 9 G 3.8363 8.5038 114.0052 47.8162 0.0000 170.8349 10 W 5.2393 8.0359 120.7507 55.8382 31.1555 175.4081 11 E 5.0291 9.3866 120.2793 54.4571 32.9666 174.9281 12 K 4.1314 8.7376 123.0992 55.7858 32.7273 175.6691 13 R 4.5745 7.9228 127.7289 54.3072 32.6645 175.9951 14 T 4.5070 8.2656 114.0827 60.5771 70.4327 173.9926 15 D 4.9754 9.4366 123.6802 52.8279 41.1148 178.2925 16 S 4.0093 8.3755 117.9818 61.6939 62.5566 174.8101 17 N 4.4343 7.2039 118.0913 54.1022 39.1429 176.1812 18 G 3.7552 8.0956 108.9309 47.5859 0.0000 173.5345 19 R 4.3300 7.7643 121.7129 54.4351 31.1646 175.2464 20 V 4.4383 8.1647 124.7586 60.3949 33.1041 174.6671 21 Y 4.8905 7.8446 120.9744 55.1659 41.6321 174.2366 22 F 5.0615 8.8923 120.7186 56.7429 40.6953 175.0192 23 V 5.0856 8.9658 123.6961 59.9354 34.3998 173.9332 24 N 5.2686 8.4055 123.4728 51.5633 39.9942 175.5654 25 H 4.2586 8.8284 122.9748 58.4958 29.5125 176.6648 26 N 4.4594 8.8087 117.2715 56.0825 38.4417 176.4137 27 T 3.9904 7.7698 105.9279 61.5250 70.1320 174.3184 28 R 3.7783 7.4899 120.1431 56.5842 27.5363 175.1433 29 I 4.6978 6.8439 118.0463 59.4648 42.5837 174.0192 30 T 4.9001 8.3749 118.0218 60.1298 70.4519 173.3814 31 Q 4.5799 9.0535 125.1492 53.7143 32.3398 176.5748 32 W 4.9785 8.7635 120.6186 57.4978 29.8087 176.1882 33 E 4.6104 8.0468 118.1433 54.6434 30.7409 174.9319 34 D 3.7443 8.4242 124.2700 52.4013 41.7852 175.0767 *35 P 4.0711 0.0000 0.0000 62.2014 31.4118 173.0265 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 5 P 0.00 4.46 0.00 2.05 2.08 0.00 3.60 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 2.09 0.00 6 L 8.46 3.95 0.00 1.85 1.65 1.15 0.55 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 7 P 0.00 4.61 0.00 2.38 2.25 0.00 3.23 0.00 0.00 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.92 0.00 8 P 0.00 5.54 0.00 2.27 2.27 0.00 3.42 0.00 0.00 4.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.97 0.00 9 G 8.50 3.84 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 0.00 0.00 0.00 10 W 8.04 5.24 0.00 3.45 3.33 0.00 0.00 0.00 0.00 0.00 0.00 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 E 9.39 5.03 0.00 2.02 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 0.00 2.46 2.29 0.00 12 K 8.74 4.13 0.00 1.80 1.76 0.00 1.66 0.00 0.00 1.54 0.00 0.00 2.66 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.16 1.33 7.81 13 R 7.92 4.57 0.00 1.05 1.45 0.00 3.33 0.00 0.00 3.32 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.55 0.00 14 T 8.27 4.51 4.21 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 1.22 0.00 0.00 15 D 9.44 4.98 0.00 3.10 3.33 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.38 4.01 0.00 3.93 3.98 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 17 N 7.20 4.43 0.00 2.67 2.66 0.00 0.00 7.25 7.81 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 18 G 8.10 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 0.00 0.00 0.00 19 R 7.76 4.33 0.00 1.86 2.29 0.00 2.97 0.00 0.00 3.47 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.60 0.00 20 V 8.16 4.44 1.90 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 0.61 0.00 0.00 0.46 0.00 0.00 21 Y 7.84 4.89 0.00 3.04 3.31 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 22 F 8.89 5.06 0.00 3.01 3.15 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 0.00 0.00 0.00 0.00 23 V 8.97 5.09 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 1.17 0.00 0.00 0.97 0.00 0.00 24 N 8.41 5.27 0.00 1.44 2.11 0.00 0.00 6.07 7.10 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 25 H 8.83 4.26 0.00 3.12 3.31 0.00 5.75 0.00 0.00 0.00 0.00 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 N 8.81 4.46 0.00 2.67 2.80 0.00 0.00 7.09 7.24 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 27 T 7.77 3.99 4.12 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 0.00 0.00 0.00 1.08 0.00 0.00 28 R 7.49 3.78 0.00 1.95 1.94 0.00 3.09 0.00 0.00 3.11 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.48 0.00 29 I 6.84 4.70 1.79 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 1.35 1.30 0.77 0.00 0.00 30 T 8.37 4.90 3.62 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 0.00 0.00 1.18 0.00 0.00 31 Q 9.05 4.58 0.00 2.34 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.70 7.12 0.00 0.00 0.00 0.00 0.00 2.32 2.48 0.00 32 W 8.76 4.98 0.00 3.36 3.20 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.05 4.61 0.00 1.96 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.30 0.00 34 D 8.42 3.74 0.00 1.91 2.39 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 *35 P 0.00 4.07 0.00 1.63 1.74 0.00 2.59 0.00 0.00 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 1.50 0.00 * Residues marked with a * may have inaccurate shift predictions.