NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 12 A 4.3232 8.2493 123.5827 51.8708 19.2810 176.6381 13 R 4.3599 8.0741 118.1751 54.8160 30.3331 174.2417 14 A 3.8247 8.5206 120.4227 53.2003 20.2812 178.2209 15 E 4.5005 8.5620 122.4397 54.9606 31.3081 177.7160 16 L 4.4961 8.3376 125.7948 54.3990 41.8930 176.3587 17 A 4.0018 8.2365 126.5434 53.8139 17.0667 179.9323 18 R 4.0746 9.2864 122.2998 56.8276 31.0115 177.2377 19 V 3.7132 7.1023 117.9118 64.0272 31.8670 175.1912 20 T 4.9275 8.2691 121.0838 62.2607 72.6636 173.0518 21 W 4.8816 8.7711 123.4118 54.2246 31.4432 174.7751 22 P 4.4507 0.0000 0.0000 64.1789 30.7216 176.0553 23 T 4.6509 7.9885 109.7907 60.2877 70.0963 173.5228 24 R 4.6947 8.5055 119.5360 56.1669 33.9869 175.6785 25 E 4.3229 8.1970 117.8102 58.3293 30.5471 177.6269 26 Q 4.1598 8.1163 115.4049 57.4538 28.4753 177.9995 27 V 3.5231 7.8267 118.7810 67.0314 31.1934 177.6512 28 V 3.8346 7.7412 116.4027 66.2693 31.4006 177.6559 29 E 4.1162 8.3061 117.6521 59.6526 29.5471 178.9344 30 G 3.7434 8.9851 106.4454 47.9858 0.0000 175.9398 31 T 3.9519 8.8213 119.3653 66.4447 68.2653 176.1982 32 Q 4.3587 9.1818 117.9129 56.7249 28.6178 177.1834 33 A 4.4671 7.7812 123.1268 52.8378 20.6610 178.2465 34 I 4.0574 7.4378 115.7039 62.2906 37.4933 176.8932 35 L 4.4484 7.7175 121.2566 57.0258 42.7899 177.2473 36 L 4.2679 7.2792 116.3953 56.0989 42.1987 177.7676 37 F 4.2340 7.8694 118.9840 61.7634 39.5686 176.4840 38 T 4.5889 8.0461 107.0427 62.7176 69.3776 174.6190 39 L 4.4607 8.1628 123.0465 55.0870 41.8852 176.8860 40 A 4.6275 7.9053 115.9856 50.9225 19.8539 177.2445 41 F 4.3192 8.3422 119.2874 61.4867 40.6182 176.9847 42 M 4.3859 8.1485 117.6231 58.5088 31.7177 178.8646 43 V 3.7196 7.6687 117.7097 65.9841 31.5707 177.9175 44 I 3.2876 7.4067 117.8791 64.2648 37.0839 177.9546 45 L 3.9537 8.9172 120.3300 57.4538 41.4872 179.4285 46 G 3.6181 9.0285 105.1687 46.3787 0.0000 175.1301 47 L 3.9122 7.4573 122.4643 57.3299 41.9480 178.0929 48 Y 3.7313 6.8862 117.1510 60.9615 37.8061 177.1659 49 D 4.3834 7.9166 118.5141 58.0218 40.8520 178.9204 50 T 3.8266 7.2816 115.4469 66.4340 68.4651 176.9035 51 V 3.6535 7.1137 119.2151 65.3113 31.2780 177.1155 52 F 4.8329 7.8962 116.2410 57.8820 39.3013 176.0844 53 R 4.5687 8.0366 119.6338 56.4362 32.0073 177.7117 54 F 4.4878 7.8883 115.8519 60.7616 39.2105 176.8731 55 L 4.2348 8.2811 118.7746 57.8983 41.7160 178.4822 56 I 3.6943 8.0566 110.4105 63.6613 37.5064 175.9332 *57 G 3.7557 7.5594 112.8464 45.3668 0.0000 172.1840 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 A 8.25 4.32 1.28 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 0.00 0.00 0.00 13 R 8.07 4.36 0.00 1.96 1.91 0.00 3.09 0.00 0.00 3.23 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.70 0.00 14 A 8.52 3.82 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 15 E 8.56 4.50 0.00 1.98 1.91 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 2.27 2.33 0.00 16 L 8.34 4.50 0.00 1.69 1.79 0.99 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 17 A 8.24 4.00 1.19 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 0.00 0.00 18 R 9.29 4.07 0.00 1.83 2.02 0.00 3.25 0.00 0.00 3.16 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.64 0.00 19 V 7.10 3.71 2.29 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 1.01 0.00 0.00 1.04 0.00 0.00 20 T 8.27 4.93 4.34 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 1.30 0.00 0.00 21 W 8.77 4.88 0.00 3.38 3.08 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 0.00 0.00 0.00 0.00 22 P 0.00 4.45 0.00 2.21 2.21 0.00 3.77 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 1.98 0.00 23 T 7.99 4.65 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 1.27 0.00 0.00 24 R 8.51 4.69 0.00 1.76 1.93 0.00 2.92 0.00 0.00 3.12 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.60 0.00 25 E 8.20 4.32 0.00 2.05 2.02 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 2.33 2.32 0.00 26 Q 8.12 4.16 0.00 2.13 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.74 0.00 0.00 0.00 0.00 0.00 2.47 2.44 0.00 27 V 7.83 3.52 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 1.01 0.00 0.00 0.98 0.00 0.00 28 V 7.74 3.83 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 1.07 0.00 0.00 0.94 0.00 0.00 29 E 8.31 4.12 0.00 2.01 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 0.00 2.32 2.37 0.00 30 G 8.99 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.82 3.95 4.38 0.00 0.00 0.00 0.00 0.00 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 32 Q 9.18 4.36 0.00 2.02 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.57 0.00 0.00 0.00 0.00 0.00 2.39 2.45 0.00 33 A 7.78 4.47 1.39 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 0.00 0.00 34 I 7.44 4.06 1.87 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 1.36 0.79 0.85 0.00 0.00 35 L 7.72 4.45 0.00 1.85 1.67 0.95 0.56 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 36 L 7.28 4.27 0.00 1.78 1.72 0.94 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 37 F 7.87 4.23 0.00 3.40 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 38 T 8.05 4.59 4.33 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 1.40 0.00 0.00 39 L 8.16 4.46 0.00 1.66 1.85 0.93 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 40 A 7.91 4.63 1.24 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 0.00 0.00 41 F 8.34 4.32 0.00 3.28 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 42 M 8.15 4.39 0.00 2.12 2.13 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.77 2.67 0.00 43 V 7.67 3.72 2.01 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 1.06 0.00 0.00 0.89 0.00 0.00 44 I 7.41 3.29 1.76 0.00 0.00 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.44 0.53 0.00 0.00 45 L 8.92 3.95 0.00 1.82 1.78 1.18 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 46 G 9.03 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 0.00 0.00 0.00 0.00 47 L 7.46 3.91 0.00 1.65 1.37 0.86 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 48 Y 6.89 3.73 0.00 3.02 2.59 0.00 0.00 0.00 0.00 0.00 0.00 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 D 7.92 4.38 0.00 2.60 2.79 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 0.00 0.00 0.00 50 T 7.28 3.83 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 0.99 0.00 0.00 51 V 7.11 3.65 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 1.13 0.00 0.00 1.04 0.00 0.00 52 F 7.90 4.83 0.00 3.06 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 53 R 8.04 4.57 0.00 2.00 1.84 0.00 2.99 0.00 0.00 2.96 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.50 0.00 54 F 7.89 4.49 0.00 3.10 2.97 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 55 L 8.28 4.23 0.00 1.74 1.80 1.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 56 I 8.06 3.69 1.91 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.57 0.95 0.00 0.00 *57 G 7.56 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 * Residues marked with a * may have inaccurate shift predictions.