NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 12 I 4.0595 8.0249 121.4439 59.9606 38.5757 175.3579 13 P 4.0643 0.0000 0.0000 62.7886 31.9311 174.4567 14 E 4.1095 8.7411 121.8730 58.6629 30.4728 179.1167 15 W 4.3854 8.1380 116.6382 59.0471 28.4398 178.4166 16 K 3.2433 6.5908 117.9657 58.4197 31.1528 179.2795 17 Q 3.9289 7.5341 118.2605 58.7661 28.9382 178.0026 18 E 4.0542 8.1936 119.3769 58.7809 29.4063 179.1691 19 E 3.9111 8.0131 119.4075 59.3319 29.8096 178.5924 20 V 3.6155 7.3882 118.3886 66.4388 31.4162 177.7374 21 D 4.3389 8.0107 118.0824 57.1346 40.8130 178.5880 22 A 4.0565 7.9958 121.4296 54.9333 18.2741 179.9128 23 I 3.7360 8.3474 118.7882 64.6840 37.3751 178.7102 24 V 3.5831 7.9171 118.9958 65.9997 30.9304 177.6569 25 E 3.9781 7.9014 118.5513 59.2116 29.7707 178.3861 26 M 4.2156 7.5872 117.8978 58.3972 32.0034 178.6913 27 I 3.7179 7.6887 118.7114 64.3979 37.2983 177.7251 28 E 4.0758 8.1740 119.6175 58.4566 29.4627 178.0349 29 S 4.4710 7.7149 112.1955 58.0571 65.3209 174.6875 *63 R 4.1522 7.3336 120.2426 55.6252 31.3019 175.7189 64 N 4.3210 8.9546 119.9205 56.9576 38.4817 177.6399 65 T 3.8549 7.8756 110.3908 64.8927 68.8165 176.3685 66 L 3.9900 7.7318 121.1996 57.1454 41.7379 179.2888 67 L 3.9853 7.8928 119.2446 57.6653 41.5520 179.2022 68 E 3.8966 8.4344 118.8235 59.3995 29.2306 179.0382 69 R 3.8366 7.8369 117.1097 59.6225 30.2336 177.9452 70 A 4.2130 7.9105 119.9665 55.3940 18.2768 179.4847 71 L 3.4893 8.1634 116.3889 58.1671 41.7651 179.3114 72 D 4.4945 8.3229 117.6858 56.1052 40.8281 176.6292 73 D 4.6417 8.6204 125.0508 54.3109 41.2130 175.9438 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 12 I 8.02 4.06 1.85 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 1.38 1.04 0.87 0.00 0.00 13 P 0.00 4.06 0.00 1.73 2.19 0.00 3.43 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.23 0.00 14 E 8.74 4.11 0.00 2.08 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 2.41 2.39 0.00 15 W 8.14 4.39 0.00 3.65 3.35 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 0.00 16 K 6.59 3.24 0.00 1.41 1.36 0.00 1.27 0.00 0.00 1.25 0.00 0.00 2.76 0.00 0.00 3.04 0.00 0.00 0.00 0.00 0.30 0.21 7.81 17 Q 7.53 3.93 0.00 2.21 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.90 0.00 0.00 0.00 0.00 0.00 2.35 2.51 0.00 18 E 8.19 4.05 0.00 2.10 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 2.35 2.50 0.00 19 E 8.01 3.91 0.00 2.34 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 2.37 2.39 0.00 20 V 7.39 3.62 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 0.94 0.00 0.00 0.89 0.00 0.00 21 D 8.01 4.34 0.00 2.68 2.69 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 0.00 0.00 0.00 0.00 22 A 8.00 4.06 1.44 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 0.00 0.00 23 I 8.35 3.74 2.01 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 1.42 0.81 0.91 0.00 0.00 24 V 7.92 3.58 2.19 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 0.99 0.00 0.00 0.96 0.00 0.00 25 E 7.90 3.98 0.00 2.18 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 2.32 2.35 0.00 26 M 7.59 4.22 0.00 2.23 2.19 0.00 0.00 0.00 0.00 0.00 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.58 0.00 27 I 7.69 3.72 1.87 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 0.67 0.91 0.00 0.00 28 E 8.17 4.08 0.00 2.33 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 0.00 2.32 2.32 0.00 29 S 7.71 4.47 0.00 4.06 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 0.00 *63 R 7.33 4.15 0.00 1.96 1.97 0.00 3.25 0.00 0.00 3.43 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.81 0.00 64 N 8.95 4.32 0.00 2.77 2.89 0.00 0.00 6.89 7.05 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 65 T 7.88 3.85 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 1.21 0.00 0.00 66 L 7.73 3.99 0.00 1.84 1.72 0.86 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 67 L 7.89 3.99 0.00 1.86 1.71 0.93 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 68 E 8.43 3.90 0.00 2.13 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 2.33 2.60 0.00 69 R 7.84 3.84 0.00 1.93 2.13 0.00 3.29 0.00 0.00 3.19 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.69 0.00 70 A 7.91 4.21 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 L 8.16 3.49 0.00 1.71 1.77 0.92 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 72 D 8.32 4.49 0.00 2.90 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 73 D 8.62 4.64 0.00 2.69 2.55 0.00 0.00 0.00 0.00 0.00 0.00 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.