NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 P 4.4241 0.0000 0.0000 62.5688 32.8264 175.2888 3 E 4.8016 8.4263 119.2523 52.8597 33.3594 172.8186 4 T 5.0872 9.1077 110.9599 60.2768 72.6528 174.1744 5 L 4.6541 8.3401 121.4319 54.1803 46.0561 173.5209 6 C 4.6617 8.6008 115.0319 56.2353 39.1687 173.9123 7 G 3.6106 8.3812 106.8911 46.2452 0.0000 174.3542 8 A 4.0724 8.5833 119.4321 55.2889 18.2632 179.8134 9 E 3.8710 8.0459 116.9461 59.2420 29.5908 178.8987 10 L 3.8276 7.7602 119.9072 58.1526 42.1882 178.8381 11 V 3.3633 7.5596 117.6491 66.2290 31.4029 177.7428 12 D 4.3002 8.3342 118.4902 57.1316 40.5981 178.5674 13 A 3.9599 8.4060 121.5532 55.1769 18.4809 179.3184 14 L 3.6893 8.2808 117.8667 58.2663 41.6659 179.9805 15 Q 4.0274 8.0388 117.8165 58.7955 28.3977 178.7268 16 F 4.2022 7.9966 120.5896 61.3149 39.5755 177.0675 17 V 3.4677 7.6899 116.2872 66.3065 31.5195 177.1033 18 C 4.4088 8.2973 116.3776 58.7700 35.4212 174.4584 19 G 3.7730 8.9799 109.9142 46.7877 0.0000 175.3049 20 D 4.6510 8.6840 123.2995 55.3804 40.9495 177.4223 21 R 3.8399 7.5224 117.6448 56.9356 30.4477 177.7888 22 G 3.9521 8.2435 106.8327 44.7650 0.0000 172.1548 23 F 5.1371 7.3415 111.9591 55.1354 40.7831 173.3406 24 Y 4.6991 8.6877 120.7883 56.4006 39.4639 176.5280 25 F 4.6826 8.8955 123.2076 59.9134 39.4718 174.9970 26 N 5.5342 8.4632 117.1701 51.4459 41.3465 173.8551 27 K 4.1522 8.9200 121.1847 56.5213 34.9139 176.7825 *42 G 3.9119 7.6790 105.6185 44.2514 0.0000 173.3172 43 I 3.1273 7.5284 120.2691 63.4705 37.8061 178.4238 44 V 3.5043 7.7590 118.6713 66.2080 31.1516 177.2460 45 D 4.5337 8.1169 117.0985 57.5086 40.9792 177.7040 46 E 3.9253 8.2143 119.7166 59.2554 29.6058 177.9296 47 C 4.2688 8.4445 116.8297 59.7166 40.1225 175.4195 48 C 3.9329 7.9067 117.6143 58.9528 39.6979 174.5529 49 F 4.6933 7.3982 116.2817 57.5517 40.5950 175.2464 50 R 4.2439 7.3806 119.5695 56.0727 30.6326 175.3385 51 S 4.8345 7.8505 111.7515 57.5243 66.6672 173.8200 52 C 5.1943 9.0740 123.6190 55.0999 45.6524 172.2996 53 D 4.5452 8.3325 122.5928 51.6306 42.1388 176.1997 54 L 3.9516 8.7743 118.7335 58.2870 41.3686 179.6344 55 R 3.9220 8.0682 116.5966 59.5833 30.1825 178.1170 56 R 4.1229 8.4678 118.2764 59.5683 29.9543 178.5315 57 L 4.1551 8.2838 119.0016 57.6216 41.4779 179.2531 58 E 4.0497 8.3701 119.5842 59.5440 29.4278 178.6886 59 M 4.1562 7.7317 115.7316 57.8481 32.3537 176.5951 60 Y 4.6325 7.9432 114.6200 57.9067 38.2745 173.9893 61 C 5.2928 7.9842 117.4921 55.3417 41.7575 173.8033 62 A 4.5695 8.2595 124.4022 51.3986 18.6505 175.8775 63 P 4.3520 0.0000 0.0000 62.4133 32.3856 176.6735 64 L 4.1233 8.5331 120.8791 55.4418 41.5400 177.3130 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 P 0.00 4.42 0.00 2.20 2.14 0.00 3.68 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 1.89 1.97 0.00 3 E 8.43 4.80 0.00 2.08 2.03 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 2.23 2.36 0.00 4 T 9.11 5.09 4.30 0.00 0.00 0.00 0.00 0.00 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 5 L 8.34 4.65 0.00 1.43 1.48 0.88 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 6 C 8.60 4.66 0.00 2.93 2.93 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 7 G 8.38 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.58 4.07 1.33 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 0.00 0.00 9 E 8.05 3.87 0.00 2.15 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.33 0.00 10 L 7.76 3.83 0.00 1.69 1.79 0.83 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 11 V 7.56 3.36 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 1.20 0.00 0.00 12 D 8.33 4.30 0.00 2.87 2.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 A 8.41 3.96 1.33 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 0.00 0.00 14 L 8.28 3.69 0.00 1.30 0.52 0.47 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 15 Q 8.04 4.03 0.00 2.31 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.81 0.00 0.00 0.00 0.00 0.00 2.62 2.61 0.00 16 F 8.00 4.20 0.00 3.01 3.30 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.69 3.47 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 0.85 0.00 0.00 1.00 0.00 0.00 18 C 8.30 4.41 0.00 3.06 3.23 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.98 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.68 4.65 0.00 2.66 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 21 R 7.52 3.84 0.00 1.97 2.09 0.00 3.23 0.00 0.00 3.35 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.55 0.00 22 G 8.24 3.95 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 0.00 0.00 0.00 23 F 7.34 5.14 0.00 3.14 2.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 Y 8.69 4.70 0.00 3.08 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 25 F 8.90 4.68 0.00 3.28 3.11 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 0.00 0.00 0.00 0.00 26 N 8.46 5.53 0.00 2.79 2.80 0.00 0.00 6.69 7.61 0.00 0.00 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 K 8.92 4.15 0.00 1.53 1.71 0.00 1.31 0.00 0.00 1.48 0.00 0.00 2.71 0.00 0.00 2.77 0.00 0.00 0.00 0.00 0.50 0.98 7.81 *42 G 7.68 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 0.00 0.00 0.00 43 I 7.53 3.13 0.56 0.00 0.00 0.54 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 1.21 0.88 0.00 0.00 44 V 7.76 3.50 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 0.91 0.00 0.00 0.92 0.00 0.00 45 D 8.12 4.53 0.00 2.91 2.88 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 46 E 8.21 3.93 0.00 2.25 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 2.33 2.39 0.00 47 C 8.44 4.27 0.00 3.02 3.18 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 48 C 7.91 3.93 0.00 1.51 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 0.00 0.00 0.00 49 F 7.40 4.69 0.00 3.10 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 50 R 7.38 4.24 0.00 1.83 1.94 0.00 3.32 0.00 0.00 3.31 7.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.64 0.00 51 S 7.85 4.83 0.00 3.86 3.78 0.00 0.00 0.00 0.00 0.00 0.00 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 C 9.07 5.19 0.00 3.02 2.92 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 53 D 8.33 4.55 0.00 2.72 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 54 L 8.77 3.95 0.00 1.72 1.78 0.95 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 55 R 8.07 3.92 0.00 1.81 2.00 0.00 3.50 0.00 0.00 3.25 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.67 0.00 56 R 8.47 4.12 0.00 2.26 2.08 0.00 3.33 0.00 0.00 3.49 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.78 0.00 57 L 8.28 4.16 0.00 1.89 1.70 0.91 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 58 E 8.37 4.05 0.00 2.11 2.25 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 2.32 2.42 0.00 59 M 7.73 4.16 0.00 1.98 2.15 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.85 2.52 0.00 60 Y 7.94 4.63 0.00 3.17 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 61 C 7.98 5.29 0.00 2.96 3.02 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 62 A 8.26 4.57 1.13 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 0.00 0.00 63 P 0.00 4.35 0.00 1.98 2.04 0.00 3.83 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.19 0.00 64 L 8.53 4.12 0.00 1.61 1.60 0.92 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.